data_10271_sparta
save_entry_information
_Entry.Sf_category entry_information
_Entry.Sf_framecode entry_information
_Entry.ID 10271
_Entry.PDB_ID 2EE3
_Entry.NMR_STAR_version 3.0.9.100
save_
save_delta_chem_shifts_single
_Entity_delta_chem_shifts.Sf_category delta_chem_shifts
_Entity_delta_chem_shifts.Sf_framecode delta_chem_shifts_single
_Entity_delta_chem_shifts.Conformer_type "single"
_Entity_delta_chem_shifts.Conformer_count 20
_Entity_delta_chem_shifts.Best_conformer 1
_Entity_delta_chem_shifts.ID 1
loop_
_Delta_CS.Assigned_chem_shift_list_ID
_Delta_CS.Atom_chem_shift_ID
_Delta_CS.Assembly_atom_ID
_Delta_CS.Conformer_ID
_Delta_CS.Entity_assembly_ID
_Delta_CS.Entity_ID
_Delta_CS.PDB_asym_ID
_Delta_CS.Comp_index_ID
_Delta_CS.Seq_ID
_Delta_CS.Comp_ID
_Delta_CS.Atom_ID
_Delta_CS.Atom_type
_Delta_CS.Auth_seq_ID
_Delta_CS.Original_CS_value
_Delta_CS.Sparta_CS_value
_Delta_CS.Delta_CS_value
_Delta_CS.Entity_delta_chem_shifts_ID
1 1 . 1 1 1 A 6 6 SER HA H 6 4.470 4.570 -0.100 1
1 3 . 1 1 1 A 6 6 SER C C 6 175.031 174.387 0.644 1
1 4 . 1 1 1 A 6 6 SER CA C 6 58.687 59.297 -0.610 1
1 5 . 1 1 1 A 6 6 SER CB C 6 63.635 63.994 -0.359 1
1 6 . 1 1 1 A 7 7 GLY H H 7 8.390 8.603 -0.213 1
1 7 . 1 1 1 A 7 7 GLY HA2 H 7 3.941 4.174 -0.233 1
1 8 . 1 1 1 A 7 7 GLY HA3 H 7 3.941 4.174 -0.233 1
1 9 . 1 1 1 A 7 7 GLY C C 7 173.892 172.758 1.134 1
1 10 . 1 1 1 A 7 7 GLY CA C 7 45.348 44.727 0.621 1
1 11 . 1 1 1 A 7 7 GLY N N 7 110.659 112.692 -2.033 1
1 12 . 1 1 1 A 8 8 LEU H H 8 8.017 8.684 -0.667 1
1 13 . 1 1 1 A 8 8 LEU HA H 8 4.347 4.227 0.120 1
1 23 . 1 1 1 A 8 8 LEU C C 8 176.816 177.283 -0.467 1
1 24 . 1 1 1 A 8 8 LEU CA C 8 54.760 55.388 -0.628 1
1 25 . 1 1 1 A 8 8 LEU CB C 8 42.565 42.329 0.236 1
1 29 . 1 1 1 A 8 8 LEU N N 8 121.546 126.102 -4.556 1
1 30 . 1 1 1 A 9 9 ALA H H 9 8.291 8.470 -0.179 1
1 31 . 1 1 1 A 9 9 ALA HA H 9 4.589 4.445 0.144 1
1 35 . 1 1 1 A 9 9 ALA C C 9 174.928 175.831 -0.903 1
1 36 . 1 1 1 A 9 9 ALA CA C 9 50.381 50.875 -0.494 1
1 37 . 1 1 1 A 9 9 ALA CB C 9 18.293 17.880 0.413 1
1 38 . 1 1 1 A 9 9 ALA N N 9 126.618 125.477 1.141 1
1 39 . 1 1 1 A 10 10 PRO HA H 10 4.708 4.694 0.014 1
1 45 . 1 1 1 A 10 10 PRO CA C 10 61.347 61.928 -0.581 1
1 46 . 1 1 1 A 10 10 PRO CB C 10 30.783 32.297 -1.514 1
1 49 . 1 1 1 A 11 11 PRO HA H 11 4.442 4.368 0.074 1
1 56 . 1 1 1 A 11 11 PRO C C 11 176.585 176.502 0.083 1
1 57 . 1 1 1 A 11 11 PRO CA C 11 63.016 65.205 -2.189 1
1 58 . 1 1 1 A 11 11 PRO CB C 11 32.096 32.172 -0.076 1
1 61 . 1 1 1 A 12 12 ARG H H 12 8.348 7.786 0.562 1
1 62 . 1 1 1 A 12 12 ARG HA H 12 4.405 4.865 -0.460 1
1 69 . 1 1 1 A 12 12 ARG C C 12 175.204 174.967 0.237 1
1 70 . 1 1 1 A 12 12 ARG CA C 12 55.797 54.352 1.445 1
1 71 . 1 1 1 A 12 12 ARG CB C 12 32.052 33.677 -1.625 1
1 74 . 1 1 1 A 12 12 ARG N N 12 120.519 117.858 2.661 1
1 75 . 1 1 1 A 13 13 HIS H H 13 8.296 8.889 -0.593 1
1 76 . 1 1 1 A 13 13 HIS HA H 13 4.815 5.448 -0.633 1
1 81 . 1 1 1 A 13 13 HIS C C 13 174.544 174.833 -0.289 1
1 82 . 1 1 1 A 13 13 HIS CA C 13 55.783 53.680 2.103 1
1 83 . 1 1 1 A 13 13 HIS CB C 13 32.469 33.128 -0.659 1
1 86 . 1 1 1 A 13 13 HIS N N 13 118.569 117.420 1.149 1
1 87 . 1 1 1 A 14 14 LEU H H 14 8.209 8.491 -0.282 1
1 88 . 1 1 1 A 14 14 LEU HA H 14 4.655 4.733 -0.078 1
1 98 . 1 1 1 A 14 14 LEU C C 14 175.977 175.733 0.244 1
1 99 . 1 1 1 A 14 14 LEU CA C 14 53.935 53.206 0.729 1
1 100 . 1 1 1 A 14 14 LEU CB C 14 44.113 44.111 0.002 1
1 104 . 1 1 1 A 14 14 LEU N N 14 120.625 121.340 -0.715 1
1 105 . 1 1 1 A 15 15 GLY H H 15 7.988 7.778 0.210 1
1 106 . 1 1 1 A 15 15 GLY HA2 H 15 4.008 3.095 0.913 1
1 107 . 1 1 1 A 15 15 GLY HA3 H 15 2.486 3.809 -1.323 1
1 108 . 1 1 1 A 15 15 GLY C C 15 170.056 170.995 -0.939 1
1 109 . 1 1 1 A 15 15 GLY CA C 15 43.188 43.517 -0.329 1
1 110 . 1 1 1 A 15 15 GLY N N 15 111.142 108.758 2.384 1
1 111 . 1 1 1 A 16 16 PHE H H 16 8.078 8.774 -0.696 1
1 112 . 1 1 1 A 16 16 PHE HA H 16 5.830 5.475 0.355 1
1 120 . 1 1 1 A 16 16 PHE C C 16 175.968 174.461 1.507 1
1 121 . 1 1 1 A 16 16 PHE CA C 16 56.048 56.243 -0.195 1
1 122 . 1 1 1 A 16 16 PHE CB C 16 43.353 41.065 2.288 1
1 128 . 1 1 1 A 16 16 PHE N N 16 114.388 123.992 -9.604 1
1 129 . 1 1 1 A 17 17 SER H H 17 9.811 8.856 0.955 1
1 130 . 1 1 1 A 17 17 SER HA H 17 4.883 5.047 -0.164 1
1 133 . 1 1 1 A 17 17 SER C C 17 171.638 173.418 -1.780 1
1 134 . 1 1 1 A 17 17 SER CA C 17 57.073 56.161 0.912 1
1 135 . 1 1 1 A 17 17 SER CB C 17 66.893 66.816 0.077 1
1 136 . 1 1 1 A 17 17 SER N N 17 118.688 117.743 0.945 1
1 137 . 1 1 1 A 18 18 ASP H H 18 9.001 9.041 -0.040 1
1 138 . 1 1 1 A 18 18 ASP HA H 18 4.171 4.274 -0.103 1
1 141 . 1 1 1 A 18 18 ASP C C 18 174.520 175.280 -0.760 1
1 142 . 1 1 1 A 18 18 ASP CA C 18 55.333 54.986 0.347 1
1 143 . 1 1 1 A 18 18 ASP CB C 18 40.075 40.153 -0.078 1
1 144 . 1 1 1 A 18 18 ASP N N 18 116.878 124.807 -7.929 1
1 145 . 1 1 1 A 19 19 VAL H H 19 8.202 8.012 0.190 1
1 146 . 1 1 1 A 19 19 VAL HA H 19 4.169 4.048 0.121 1
1 154 . 1 1 1 A 19 19 VAL C C 19 176.641 175.665 0.976 1
1 155 . 1 1 1 A 19 19 VAL CA C 19 63.962 63.425 0.537 1
1 156 . 1 1 1 A 19 19 VAL CB C 19 31.236 31.880 -0.644 1
1 159 . 1 1 1 A 19 19 VAL N N 19 117.253 120.152 -2.899 1
1 160 . 1 1 1 A 20 20 SER H H 20 9.066 8.804 0.262 1
1 161 . 1 1 1 A 20 20 SER HA H 20 5.061 4.866 0.195 1
1 164 . 1 1 1 A 20 20 SER C C 20 174.081 174.579 -0.498 1
1 165 . 1 1 1 A 20 20 SER CA C 20 55.582 55.558 0.024 1
1 166 . 1 1 1 A 20 20 SER CB C 20 65.090 65.867 -0.777 1
1 167 . 1 1 1 A 20 20 SER N N 20 126.686 118.797 7.889 1
1 168 . 1 1 1 A 21 21 HIS H H 21 8.635 8.511 0.124 1
1 169 . 1 1 1 A 21 21 HIS HA H 21 4.895 4.840 0.055 1
1 174 . 1 1 1 A 21 21 HIS C C 21 175.242 175.489 -0.247 1
1 175 . 1 1 1 A 21 21 HIS CA C 21 56.934 56.535 0.399 1
1 176 . 1 1 1 A 21 21 HIS CB C 21 30.651 29.882 0.769 1
1 179 . 1 1 1 A 21 21 HIS N N 21 117.241 121.321 -4.080 1
1 180 . 1 1 1 A 22 22 ASP H H 22 7.400 7.754 -0.354 1
1 181 . 1 1 1 A 22 22 ASP HA H 22 4.803 4.958 -0.155 1
1 184 . 1 1 1 A 22 22 ASP C C 22 176.754 175.119 1.635 1
1 185 . 1 1 1 A 22 22 ASP CA C 22 52.316 53.276 -0.960 1
1 186 . 1 1 1 A 22 22 ASP CB C 22 41.697 41.961 -0.264 1
1 187 . 1 1 1 A 22 22 ASP N N 22 115.766 116.159 -0.393 1
1 188 . 1 1 1 A 23 23 ALA H H 23 7.379 7.464 -0.085 1
1 189 . 1 1 1 A 23 23 ALA HA H 23 4.753 4.432 0.321 1
1 193 . 1 1 1 A 23 23 ALA C C 23 174.757 175.088 -0.331 1
1 194 . 1 1 1 A 23 23 ALA CA C 23 51.613 51.535 0.078 1
1 195 . 1 1 1 A 23 23 ALA CB C 23 22.882 22.446 0.436 1
1 196 . 1 1 1 A 23 23 ALA N N 23 122.521 119.330 3.191 1
1 197 . 1 1 1 A 24 24 ALA H H 24 7.745 7.952 -0.207 1
1 198 . 1 1 1 A 24 24 ALA HA H 24 4.593 4.839 -0.246 1
1 202 . 1 1 1 A 24 24 ALA C C 24 173.662 175.346 -1.684 1
1 203 . 1 1 1 A 24 24 ALA CA C 24 52.233 51.766 0.467 1
1 204 . 1 1 1 A 24 24 ALA CB C 24 22.894 22.792 0.102 1
1 205 . 1 1 1 A 24 24 ALA N N 24 115.485 120.097 -4.612 1
1 206 . 1 1 1 A 25 25 ARG H H 25 8.690 8.205 0.485 1
1 207 . 1 1 1 A 25 25 ARG HA H 25 5.209 4.780 0.429 1
1 214 . 1 1 1 A 25 25 ARG C C 25 174.777 175.009 -0.232 1
1 215 . 1 1 1 A 25 25 ARG CA C 25 55.161 55.566 -0.405 1
1 216 . 1 1 1 A 25 25 ARG CB C 25 32.329 31.332 0.997 1
1 219 . 1 1 1 A 25 25 ARG N N 25 122.853 123.705 -0.852 1
1 220 . 1 1 1 A 26 26 VAL H H 26 8.865 8.832 0.033 1
1 221 . 1 1 1 A 26 26 VAL HA H 26 5.120 4.845 0.275 1
1 229 . 1 1 1 A 26 26 VAL C C 26 172.428 174.879 -2.451 1
1 230 . 1 1 1 A 26 26 VAL CA C 26 57.420 59.818 -2.398 1
1 231 . 1 1 1 A 26 26 VAL CB C 26 34.734 34.353 0.381 1
1 234 . 1 1 1 A 26 26 VAL N N 26 125.534 127.186 -1.652 1
1 235 . 1 1 1 A 27 27 PHE H H 27 8.520 8.579 -0.059 1
1 236 . 1 1 1 A 27 27 PHE HA H 27 5.039 5.354 -0.315 1
1 244 . 1 1 1 A 27 27 PHE C C 27 172.979 172.764 0.215 1
1 245 . 1 1 1 A 27 27 PHE CA C 27 56.293 55.039 1.254 1
1 246 . 1 1 1 A 27 27 PHE CB C 27 42.190 42.096 0.094 1
1 252 . 1 1 1 A 27 27 PHE N N 27 123.552 123.373 0.179 1
1 253 . 1 1 1 A 28 28 TRP H H 28 7.813 8.034 -0.221 1
1 254 . 1 1 1 A 28 28 TRP HA H 28 5.058 5.426 -0.368 1
1 263 . 1 1 1 A 28 28 TRP C C 28 174.131 175.791 -1.660 1
1 264 . 1 1 1 A 28 28 TRP CA C 28 55.730 54.560 1.170 1
1 265 . 1 1 1 A 28 28 TRP CB C 28 30.997 32.069 -1.072 1
1 271 . 1 1 1 A 28 28 TRP N N 28 116.968 118.683 -1.715 1
1 273 . 1 1 1 A 29 29 GLU H H 29 8.362 9.171 -0.809 1
1 274 . 1 1 1 A 29 29 GLU HA H 29 4.356 4.545 -0.189 1
1 279 . 1 1 1 A 29 29 GLU C C 29 177.125 176.870 0.255 1
1 280 . 1 1 1 A 29 29 GLU CA C 29 55.820 56.281 -0.461 1
1 281 . 1 1 1 A 29 29 GLU CB C 29 31.085 29.982 1.103 1
1 283 . 1 1 1 A 29 29 GLU N N 29 119.239 117.401 1.838 1
1 284 . 1 1 1 A 30 30 GLY H H 30 8.729 8.305 0.424 1
1 285 . 1 1 1 A 30 30 GLY HA2 H 30 4.051 4.200 -0.149 1
1 286 . 1 1 1 A 30 30 GLY HA3 H 30 3.781 4.422 -0.641 1
1 287 . 1 1 1 A 30 30 GLY C C 30 173.621 173.498 0.123 1
1 288 . 1 1 1 A 30 30 GLY CA C 30 45.559 44.943 0.616 1
1 289 . 1 1 1 A 30 30 GLY N N 30 110.979 108.780 2.199 1
1 290 . 1 1 1 A 31 31 ALA H H 31 8.747 8.548 0.199 1
1 291 . 1 1 1 A 31 31 ALA HA H 31 4.577 4.686 -0.109 1
1 295 . 1 1 1 A 31 31 ALA C C 31 177.064 177.800 -0.736 1
1 296 . 1 1 1 A 31 31 ALA CA C 31 50.416 50.806 -0.390 1
1 297 . 1 1 1 A 31 31 ALA CB C 31 19.221 18.447 0.774 1
1 298 . 1 1 1 A 31 31 ALA N N 31 126.357 124.991 1.366 1
1 299 . 1 1 1 A 32 32 PRO HA H 32 4.630 4.481 0.149 1
1 306 . 1 1 1 A 32 32 PRO C C 32 175.001 175.144 -0.143 1
1 307 . 1 1 1 A 32 32 PRO CA C 32 63.368 64.035 -0.667 1
1 308 . 1 1 1 A 32 32 PRO CB C 32 30.738 31.771 -1.033 1
1 311 . 1 1 1 A 33 33 ARG H H 33 7.418 7.356 0.062 1
1 312 . 1 1 1 A 33 33 ARG HA H 33 4.746 4.810 -0.064 1
1 319 . 1 1 1 A 33 33 ARG C C 33 172.695 173.403 -0.708 1
1 320 . 1 1 1 A 33 33 ARG CA C 33 53.205 53.470 -0.265 1
1 321 . 1 1 1 A 33 33 ARG CB C 33 30.414 32.687 -2.273 1
1 324 . 1 1 1 A 33 33 ARG N N 33 117.994 113.747 4.247 1
1 325 . 1 1 1 A 34 34 PRO HA H 34 4.273 4.741 -0.468 1
1 332 . 1 1 1 A 34 34 PRO C C 34 175.342 175.259 0.083 1
1 333 . 1 1 1 A 34 34 PRO CA C 34 64.037 62.614 1.423 1
1 334 . 1 1 1 A 34 34 PRO CB C 34 32.581 32.542 0.039 1
1 337 . 1 1 1 A 35 35 VAL H H 35 8.264 8.523 -0.259 1
1 338 . 1 1 1 A 35 35 VAL HA H 35 4.237 5.010 -0.773 1
1 346 . 1 1 1 A 35 35 VAL C C 35 175.771 176.220 -0.449 1
1 347 . 1 1 1 A 35 35 VAL CA C 35 61.890 59.612 2.278 1
1 348 . 1 1 1 A 35 35 VAL CB C 35 35.092 35.421 -0.329 1
1 351 . 1 1 1 A 35 35 VAL N N 35 122.377 122.244 0.133 1
1 352 . 1 1 1 A 36 36 ARG H H 36 9.278 8.727 0.551 1
1 353 . 1 1 1 A 36 36 ARG HA H 36 4.426 4.583 -0.157 1
1 360 . 1 1 1 A 36 36 ARG C C 36 175.620 176.011 -0.391 1
1 361 . 1 1 1 A 36 36 ARG CA C 36 57.672 57.104 0.568 1
1 362 . 1 1 1 A 36 36 ARG CB C 36 31.595 31.492 0.103 1
1 365 . 1 1 1 A 36 36 ARG N N 36 125.821 124.472 1.349 1
1 366 . 1 1 1 A 37 37 LEU H H 37 7.525 7.186 0.339 1
1 367 . 1 1 1 A 37 37 LEU HA H 37 4.403 4.881 -0.478 1
1 377 . 1 1 1 A 37 37 LEU C C 37 172.405 174.361 -1.956 1
1 378 . 1 1 1 A 37 37 LEU CA C 37 54.913 53.867 1.046 1
1 379 . 1 1 1 A 37 37 LEU CB C 37 46.166 45.892 0.274 1
1 383 . 1 1 1 A 37 37 LEU N N 37 119.761 119.383 0.378 1
1 384 . 1 1 1 A 38 38 VAL H H 38 8.513 8.556 -0.043 1
1 385 . 1 1 1 A 38 38 VAL HA H 38 4.790 4.817 -0.027 1
1 393 . 1 1 1 A 38 38 VAL C C 38 174.595 174.522 0.073 1
1 394 . 1 1 1 A 38 38 VAL CA C 38 60.992 61.404 -0.412 1
1 395 . 1 1 1 A 38 38 VAL CB C 38 33.979 34.696 -0.717 1
1 398 . 1 1 1 A 38 38 VAL N N 38 123.604 123.928 -0.324 1
1 399 . 1 1 1 A 39 39 ARG H H 39 9.025 9.336 -0.311 1
1 400 . 1 1 1 A 39 39 ARG HA H 39 4.839 5.129 -0.290 1
1 407 . 1 1 1 A 39 39 ARG C C 39 174.581 174.371 0.210 1
1 408 . 1 1 1 A 39 39 ARG CA C 39 55.150 54.802 0.348 1
1 409 . 1 1 1 A 39 39 ARG CB C 39 32.919 31.954 0.965 1
1 412 . 1 1 1 A 39 39 ARG N N 39 126.442 129.239 -2.797 1
1 413 . 1 1 1 A 40 40 VAL H H 40 9.059 8.617 0.442 1
1 414 . 1 1 1 A 40 40 VAL HA H 40 5.177 4.527 0.650 1
1 422 . 1 1 1 A 40 40 VAL C C 40 175.508 175.592 -0.084 1
1 423 . 1 1 1 A 40 40 VAL CA C 40 60.513 62.083 -1.570 1
1 424 . 1 1 1 A 40 40 VAL CB C 40 33.390 32.343 1.047 1
1 427 . 1 1 1 A 40 40 VAL N N 40 127.219 126.726 0.493 1
1 428 . 1 1 1 A 41 41 THR H H 41 9.244 8.918 0.326 1
1 429 . 1 1 1 A 41 41 THR HA H 41 5.056 5.301 -0.245 1
1 434 . 1 1 1 A 41 41 THR C C 41 173.323 173.635 -0.312 1
1 435 . 1 1 1 A 41 41 THR CA C 41 59.618 60.314 -0.696 1
1 436 . 1 1 1 A 41 41 THR CB C 41 71.668 71.042 0.626 1
1 438 . 1 1 1 A 41 41 THR N N 41 117.579 118.674 -1.095 1
1 439 . 1 1 1 A 42 42 TYR H H 42 7.955 8.404 -0.449 1
1 440 . 1 1 1 A 42 42 TYR HA H 42 5.825 6.177 -0.352 1
1 447 . 1 1 1 A 42 42 TYR C C 42 173.794 173.492 0.302 1
1 448 . 1 1 1 A 42 42 TYR CA C 42 54.314 55.198 -0.884 1
1 449 . 1 1 1 A 42 42 TYR CB C 42 39.788 41.981 -2.193 1
1 454 . 1 1 1 A 42 42 TYR N N 42 117.304 119.814 -2.510 1
1 455 . 1 1 1 A 43 43 VAL H H 43 8.547 8.731 -0.184 1
1 456 . 1 1 1 A 43 43 VAL HA H 43 5.069 4.867 0.202 1
1 464 . 1 1 1 A 43 43 VAL C C 43 174.912 173.192 1.720 1
1 465 . 1 1 1 A 43 43 VAL CA C 43 60.142 60.251 -0.109 1
1 466 . 1 1 1 A 43 43 VAL CB C 43 35.329 35.753 -0.424 1
1 469 . 1 1 1 A 43 43 VAL N N 43 119.038 121.611 -2.573 1
1 470 . 1 1 1 A 44 44 SER H H 44 9.123 8.852 0.271 1
1 471 . 1 1 1 A 44 44 SER HA H 44 4.307 3.991 0.316 1
1 474 . 1 1 1 A 44 44 SER C C 44 176.777 174.629 2.148 1
1 475 . 1 1 1 A 44 44 SER CA C 44 57.838 57.752 0.086 1
1 476 . 1 1 1 A 44 44 SER CB C 44 64.064 63.398 0.666 1
1 477 . 1 1 1 A 44 44 SER N N 44 124.942 122.988 1.954 1
1 478 . 1 1 1 A 45 45 SER H H 45 8.562 8.343 0.219 1
1 479 . 1 1 1 A 45 45 SER HA H 45 4.175 4.141 0.034 1
1 482 . 1 1 1 A 45 45 SER C C 45 175.366 174.936 0.430 1
1 483 . 1 1 1 A 45 45 SER CA C 45 61.239 58.923 2.316 1
1 484 . 1 1 1 A 45 45 SER CB C 45 62.976 64.170 -1.194 1
1 485 . 1 1 1 A 45 45 SER N N 45 119.157 120.793 -1.636 1
1 486 . 1 1 1 A 46 46 GLU H H 46 8.321 9.250 -0.929 1
1 487 . 1 1 1 A 46 46 GLU HA H 46 4.442 3.990 0.452 1
1 492 . 1 1 1 A 46 46 GLU C C 46 177.463 176.458 1.005 1
1 493 . 1 1 1 A 46 46 GLU CA C 46 56.409 57.577 -1.168 1
1 494 . 1 1 1 A 46 46 GLU CB C 46 29.633 28.157 1.476 1
1 496 . 1 1 1 A 46 46 GLU N N 46 119.112 118.502 0.610 1
1 497 . 1 1 1 A 47 47 GLY H H 47 8.129 8.679 -0.550 1
1 498 . 1 1 1 A 47 47 GLY HA2 H 47 4.150 3.851 0.299 1
1 499 . 1 1 1 A 47 47 GLY HA3 H 47 3.646 3.866 -0.220 1
1 500 . 1 1 1 A 47 47 GLY C C 47 175.047 174.467 0.580 1
1 501 . 1 1 1 A 47 47 GLY CA C 47 45.400 46.788 -1.388 1
1 502 . 1 1 1 A 47 47 GLY N N 47 109.344 104.801 4.543 1
1 503 . 1 1 1 A 48 48 GLY H H 48 7.927 7.915 0.012 1
1 504 . 1 1 1 A 48 48 GLY HA2 H 48 3.982 4.093 -0.111 1
1 505 . 1 1 1 A 48 48 GLY HA3 H 48 3.855 4.128 -0.273 1
1 506 . 1 1 1 A 48 48 GLY C C 48 173.614 172.534 1.080 1
1 507 . 1 1 1 A 48 48 GLY CA C 48 46.073 45.090 0.983 1
1 508 . 1 1 1 A 48 48 GLY N N 48 107.840 110.973 -3.133 1
1 509 . 1 1 1 A 49 49 HIS H H 49 7.985 8.368 -0.383 1
1 510 . 1 1 1 A 49 49 HIS HA H 49 4.951 4.640 0.311 1
1 515 . 1 1 1 A 49 49 HIS C C 49 173.760 174.036 -0.276 1
1 516 . 1 1 1 A 49 49 HIS CA C 49 56.608 56.954 -0.346 1
1 517 . 1 1 1 A 49 49 HIS CB C 49 33.119 30.746 2.373 1
1 520 . 1 1 1 A 49 49 HIS N N 49 120.577 121.403 -0.826 1
1 521 . 1 1 1 A 50 50 SER H H 50 8.118 8.783 -0.665 1
1 522 . 1 1 1 A 50 50 SER HA H 50 5.184 5.192 -0.008 1
1 525 . 1 1 1 A 50 50 SER C C 50 172.582 173.089 -0.507 1
1 526 . 1 1 1 A 50 50 SER CA C 50 56.463 56.403 0.060 1
1 527 . 1 1 1 A 50 50 SER CB C 50 66.423 66.206 0.217 1
1 528 . 1 1 1 A 50 50 SER N N 50 120.879 119.779 1.100 1
1 529 . 1 1 1 A 51 51 GLY H H 51 7.900 7.949 -0.049 1
1 530 . 1 1 1 A 51 51 GLY HA2 H 51 4.027 3.831 0.196 1
1 531 . 1 1 1 A 51 51 GLY HA3 H 51 3.236 4.217 -0.981 1
1 532 . 1 1 1 A 51 51 GLY C C 51 171.073 171.844 -0.771 1
1 533 . 1 1 1 A 51 51 GLY CA C 51 44.696 45.008 -0.312 1
1 534 . 1 1 1 A 51 51 GLY N N 51 108.215 106.925 1.290 1
1 535 . 1 1 1 A 52 52 GLN H H 52 8.256 8.450 -0.194 1
1 536 . 1 1 1 A 52 52 GLN HA H 52 5.308 5.193 0.115 1
1 543 . 1 1 1 A 52 52 GLN C C 52 174.217 173.512 0.705 1
1 544 . 1 1 1 A 52 52 GLN CA C 52 54.516 55.630 -1.114 1
1 545 . 1 1 1 A 52 52 GLN CB C 52 32.541 32.168 0.373 1
1 547 . 1 1 1 A 52 52 GLN N N 52 115.667 119.314 -3.647 1
1 549 . 1 1 1 A 53 53 THR H H 53 9.298 9.106 0.192 1
1 550 . 1 1 1 A 53 53 THR HA H 53 4.753 5.236 -0.483 1
1 555 . 1 1 1 A 53 53 THR C C 53 171.720 172.896 -1.176 1
1 556 . 1 1 1 A 53 53 THR CA C 53 60.869 59.746 1.123 1
1 557 . 1 1 1 A 53 53 THR CB C 53 70.580 72.312 -1.732 1
1 559 . 1 1 1 A 53 53 THR N N 53 117.486 121.274 -3.788 1
1 560 . 1 1 1 A 54 54 GLU H H 54 8.404 8.653 -0.249 1
1 561 . 1 1 1 A 54 54 GLU HA H 54 5.378 5.223 0.155 1
1 566 . 1 1 1 A 54 54 GLU C C 54 174.705 175.524 -0.819 1
1 567 . 1 1 1 A 54 54 GLU CA C 54 54.693 54.941 -0.248 1
1 568 . 1 1 1 A 54 54 GLU CB C 54 33.434 32.962 0.472 1
1 570 . 1 1 1 A 54 54 GLU N N 54 123.651 125.979 -2.328 1
1 571 . 1 1 1 A 55 55 ALA H H 55 9.471 8.910 0.561 1
1 572 . 1 1 1 A 55 55 ALA HA H 55 5.056 4.903 0.153 1
1 576 . 1 1 1 A 55 55 ALA C C 55 172.938 173.956 -1.018 1
1 577 . 1 1 1 A 55 55 ALA CA C 55 49.216 49.958 -0.742 1
1 578 . 1 1 1 A 55 55 ALA CB C 55 20.410 21.899 -1.489 1
1 579 . 1 1 1 A 55 55 ALA N N 55 126.815 123.203 3.612 1
1 580 . 1 1 1 A 56 56 PRO HA H 56 4.630 4.719 -0.089 1
1 587 . 1 1 1 A 56 56 PRO C C 56 176.935 178.331 -1.396 1
1 588 . 1 1 1 A 56 56 PRO CA C 56 62.303 63.017 -0.714 1
1 589 . 1 1 1 A 56 56 PRO CB C 56 32.745 32.560 0.185 1
1 592 . 1 1 1 A 57 57 GLY H H 57 8.240 8.327 -0.087 1
1 593 . 1 1 1 A 57 57 GLY HA2 H 57 3.839 3.909 -0.070 1
1 594 . 1 1 1 A 57 57 GLY HA3 H 57 3.547 3.932 -0.385 1
1 595 . 1 1 1 A 57 57 GLY C C 57 173.839 175.145 -1.306 1
1 596 . 1 1 1 A 57 57 GLY CA C 57 47.092 46.927 0.165 1
1 597 . 1 1 1 A 57 57 GLY N N 57 104.338 111.571 -7.233 1
1 598 . 1 1 1 A 58 58 ASN H H 58 7.935 8.036 -0.101 1
1 599 . 1 1 1 A 58 58 ASN HA H 58 4.778 4.741 0.037 1
1 604 . 1 1 1 A 58 58 ASN C C 58 175.578 175.906 -0.328 1
1 605 . 1 1 1 A 58 58 ASN CA C 58 52.176 54.649 -2.473 1
1 606 . 1 1 1 A 58 58 ASN CB C 58 37.384 38.718 -1.334 1
1 607 . 1 1 1 A 58 58 ASN N N 58 114.653 117.063 -2.410 1
1 609 . 1 1 1 A 59 59 ALA H H 59 8.041 7.948 0.093 1
1 610 . 1 1 1 A 59 59 ALA HA H 59 4.360 4.177 0.183 1
1 614 . 1 1 1 A 59 59 ALA C C 59 177.738 178.297 -0.559 1
1 615 . 1 1 1 A 59 59 ALA CA C 59 52.792 52.967 -0.175 1
1 616 . 1 1 1 A 59 59 ALA CB C 59 20.834 19.269 1.565 1
1 617 . 1 1 1 A 59 59 ALA N N 59 124.183 121.673 2.510 1
1 618 . 1 1 1 A 60 60 THR H H 60 8.274 8.693 -0.419 1
1 619 . 1 1 1 A 60 60 THR HA H 60 3.299 3.903 -0.604 1
1 624 . 1 1 1 A 60 60 THR C C 60 171.681 172.886 -1.205 1
1 625 . 1 1 1 A 60 60 THR CA C 60 59.732 60.584 -0.852 1
1 626 . 1 1 1 A 60 60 THR CB C 60 69.010 68.664 0.346 1
1 628 . 1 1 1 A 60 60 THR N N 60 108.095 113.584 -5.489 1
1 629 . 1 1 1 A 61 61 SER H H 61 6.728 7.437 -0.709 1
1 630 . 1 1 1 A 61 61 SER HA H 61 4.584 4.494 0.090 1
1 633 . 1 1 1 A 61 61 SER C C 61 172.948 172.626 0.322 1
1 634 . 1 1 1 A 61 61 SER CA C 61 57.403 57.232 0.171 1
1 635 . 1 1 1 A 61 61 SER CB C 61 65.767 65.605 0.162 1
1 636 . 1 1 1 A 61 61 SER N N 61 110.991 113.271 -2.280 1
1 637 . 1 1 1 A 62 62 ALA H H 62 8.954 8.337 0.617 1
1 638 . 1 1 1 A 62 62 ALA HA H 62 4.581 5.025 -0.444 1
1 642 . 1 1 1 A 62 62 ALA C C 62 174.741 176.115 -1.374 1
1 643 . 1 1 1 A 62 62 ALA CA C 62 51.949 51.642 0.307 1
1 644 . 1 1 1 A 62 62 ALA CB C 62 21.659 23.036 -1.377 1
1 645 . 1 1 1 A 62 62 ALA N N 62 119.306 122.313 -3.007 1
1 646 . 1 1 1 A 63 63 MET H H 63 8.599 8.524 0.075 1
1 647 . 1 1 1 A 63 63 MET HA H 63 4.993 4.911 0.082 1
1 655 . 1 1 1 A 63 63 MET C C 63 175.386 175.081 0.305 1
1 656 . 1 1 1 A 63 63 MET CA C 63 53.760 54.615 -0.855 1
1 657 . 1 1 1 A 63 63 MET CB C 63 31.842 34.015 -2.173 1
1 660 . 1 1 1 A 63 63 MET N N 63 120.537 120.317 0.220 1
1 661 . 1 1 1 A 64 64 LEU H H 64 9.244 8.102 1.142 1
1 662 . 1 1 1 A 64 64 LEU HA H 64 4.494 4.835 -0.341 1
1 672 . 1 1 1 A 64 64 LEU C C 64 175.976 175.443 0.533 1
1 673 . 1 1 1 A 64 64 LEU CA C 64 52.988 53.020 -0.032 1
1 674 . 1 1 1 A 64 64 LEU CB C 64 42.785 45.927 -3.142 1
1 678 . 1 1 1 A 64 64 LEU N N 64 124.823 121.036 3.787 1
1 679 . 1 1 1 A 65 65 GLY H H 65 7.516 8.024 -0.508 1
1 680 . 1 1 1 A 65 65 GLY HA2 H 65 4.505 4.077 0.428 1
1 681 . 1 1 1 A 65 65 GLY HA3 H 65 3.237 4.077 -0.840 1
1 682 . 1 1 1 A 65 65 GLY C C 65 170.608 172.757 -2.149 1
1 683 . 1 1 1 A 65 65 GLY CA C 65 44.505 44.207 0.298 1
1 684 . 1 1 1 A 65 65 GLY N N 65 106.855 107.955 -1.100 1
1 685 . 1 1 1 A 66 66 PRO HA H 66 4.626 4.768 -0.142 1
1 692 . 1 1 1 A 66 66 PRO C C 66 176.262 176.750 -0.488 1
1 693 . 1 1 1 A 66 66 PRO CA C 66 62.542 62.866 -0.324 1
1 694 . 1 1 1 A 66 66 PRO CB C 66 34.107 31.959 2.148 1
1 697 . 1 1 1 A 67 67 LEU H H 67 8.487 8.683 -0.196 1
1 698 . 1 1 1 A 67 67 LEU HA H 67 4.586 4.767 -0.181 1
1 708 . 1 1 1 A 67 67 LEU C C 67 176.158 175.991 0.167 1
1 709 . 1 1 1 A 67 67 LEU CA C 67 52.335 53.346 -1.011 1
1 710 . 1 1 1 A 67 67 LEU CB C 67 43.440 42.611 0.829 1
1 714 . 1 1 1 A 67 67 LEU N N 67 124.582 123.299 1.283 1
1 715 . 1 1 1 A 68 68 SER H H 68 8.958 8.717 0.241 1
1 716 . 1 1 1 A 68 68 SER HA H 68 4.529 4.961 -0.432 1
1 719 . 1 1 1 A 68 68 SER C C 68 174.360 173.462 0.898 1
1 720 . 1 1 1 A 68 68 SER CA C 68 58.649 55.878 2.771 1
1 721 . 1 1 1 A 68 68 SER CB C 68 64.239 65.868 -1.629 1
1 722 . 1 1 1 A 68 68 SER N N 68 117.670 116.184 1.486 1
1 723 . 1 1 1 A 69 69 SER H H 69 8.511 8.686 -0.175 1
1 724 . 1 1 1 A 69 69 SER HA H 69 5.085 5.426 -0.341 1
1 727 . 1 1 1 A 69 69 SER C C 69 175.660 174.045 1.615 1
1 728 . 1 1 1 A 69 69 SER CA C 69 59.071 56.306 2.765 1
1 729 . 1 1 1 A 69 69 SER CB C 69 64.439 65.864 -1.425 1
1 730 . 1 1 1 A 69 69 SER N N 69 119.760 117.787 1.973 1
1 731 . 1 1 1 A 70 70 SER H H 70 7.974 8.914 -0.940 1
1 732 . 1 1 1 A 70 70 SER HA H 70 3.799 4.124 -0.325 1
1 735 . 1 1 1 A 70 70 SER C C 70 173.645 173.024 0.621 1
1 736 . 1 1 1 A 70 70 SER CA C 70 58.453 59.185 -0.732 1
1 737 . 1 1 1 A 70 70 SER CB C 70 62.477 61.938 0.539 1
1 738 . 1 1 1 A 70 70 SER N N 70 121.170 116.345 4.825 1
1 739 . 1 1 1 A 71 71 THR H H 71 8.325 7.626 0.699 1
1 740 . 1 1 1 A 71 71 THR HA H 71 4.482 4.760 -0.278 1
1 745 . 1 1 1 A 71 71 THR C C 71 171.950 173.548 -1.598 1
1 746 . 1 1 1 A 71 71 THR CA C 71 62.453 61.548 0.905 1
1 747 . 1 1 1 A 71 71 THR CB C 71 72.120 71.561 0.559 1
1 749 . 1 1 1 A 71 71 THR N N 71 115.265 114.747 0.518 1
1 750 . 1 1 1 A 72 72 THR H H 72 8.963 8.854 0.109 1
1 751 . 1 1 1 A 72 72 THR HA H 72 5.044 4.675 0.369 1
1 756 . 1 1 1 A 72 72 THR C C 72 173.198 174.063 -0.865 1
1 757 . 1 1 1 A 72 72 THR CA C 72 62.216 63.033 -0.817 1
1 758 . 1 1 1 A 72 72 THR CB C 72 69.392 69.529 -0.137 1
1 760 . 1 1 1 A 72 72 THR N N 72 124.221 121.463 2.758 1
1 761 . 1 1 1 A 73 73 TYR H H 73 9.711 9.069 0.642 1
1 762 . 1 1 1 A 73 73 TYR HA H 73 4.852 5.171 -0.319 1
1 767 . 1 1 1 A 73 73 TYR C C 73 175.854 175.130 0.724 1
1 768 . 1 1 1 A 73 73 TYR CA C 73 57.596 56.572 1.024 1
1 769 . 1 1 1 A 73 73 TYR CB C 73 41.377 40.730 0.647 1
1 774 . 1 1 1 A 73 73 TYR N N 73 126.553 125.537 1.016 1
1 775 . 1 1 1 A 74 74 THR H H 74 8.981 9.194 -0.213 1
1 776 . 1 1 1 A 74 74 THR HA H 74 4.648 4.551 0.097 1
1 781 . 1 1 1 A 74 74 THR C C 74 174.296 174.195 0.101 1
1 782 . 1 1 1 A 74 74 THR CA C 74 63.156 62.657 0.499 1
1 783 . 1 1 1 A 74 74 THR CB C 74 68.916 68.695 0.221 1
1 785 . 1 1 1 A 74 74 THR N N 74 118.190 119.574 -1.384 1
1 786 . 1 1 1 A 75 75 VAL H H 75 9.376 9.332 0.044 1
1 787 . 1 1 1 A 75 75 VAL HA H 75 4.951 4.570 0.381 1
1 795 . 1 1 1 A 75 75 VAL C C 75 173.554 175.045 -1.491 1
1 796 . 1 1 1 A 75 75 VAL CA C 75 61.004 61.842 -0.838 1
1 797 . 1 1 1 A 75 75 VAL CB C 75 34.541 32.856 1.685 1
1 800 . 1 1 1 A 75 75 VAL N N 75 130.973 128.376 2.597 1
1 801 . 1 1 1 A 76 76 ARG H H 76 9.023 8.879 0.144 1
1 802 . 1 1 1 A 76 76 ARG HA H 76 5.218 5.284 -0.066 1
1 809 . 1 1 1 A 76 76 ARG C C 76 175.034 175.132 -0.098 1
1 810 . 1 1 1 A 76 76 ARG CA C 76 54.501 54.710 -0.209 1
1 811 . 1 1 1 A 76 76 ARG CB C 76 32.621 31.642 0.979 1
1 814 . 1 1 1 A 76 76 ARG N N 76 126.030 127.566 -1.536 1
1 815 . 1 1 1 A 77 77 VAL H H 77 9.155 8.586 0.569 1
1 816 . 1 1 1 A 77 77 VAL HA H 77 4.165 4.103 0.062 1
1 824 . 1 1 1 A 77 77 VAL C C 77 174.967 175.346 -0.379 1
1 825 . 1 1 1 A 77 77 VAL CA C 77 61.626 62.905 -1.279 1
1 826 . 1 1 1 A 77 77 VAL CB C 77 33.367 30.721 2.646 1
1 829 . 1 1 1 A 77 77 VAL N N 77 125.903 125.421 0.482 1
1 830 . 1 1 1 A 78 78 THR H H 78 9.313 8.525 0.788 1
1 831 . 1 1 1 A 78 78 THR HA H 78 5.121 4.851 0.270 1
1 836 . 1 1 1 A 78 78 THR C C 78 173.388 173.685 -0.297 1
1 837 . 1 1 1 A 78 78 THR CA C 78 61.286 62.179 -0.893 1
1 838 . 1 1 1 A 78 78 THR CB C 78 70.432 69.236 1.196 1
1 840 . 1 1 1 A 78 78 THR N N 78 126.547 123.358 3.189 1
1 841 . 1 1 1 A 79 79 CYS H H 79 8.807 8.442 0.365 1
1 842 . 1 1 1 A 79 79 CYS HA H 79 4.410 4.818 -0.408 1
1 845 . 1 1 1 A 79 79 CYS C C 79 172.501 173.589 -1.088 1
1 846 . 1 1 1 A 79 79 CYS CA C 79 58.141 57.197 0.944 1
1 847 . 1 1 1 A 79 79 CYS CB C 79 28.102 27.891 0.211 1
1 848 . 1 1 1 A 79 79 CYS N N 79 125.160 125.814 -0.654 1
1 849 . 1 1 1 A 80 80 LEU H H 80 8.417 8.074 0.343 1
1 850 . 1 1 1 A 80 80 LEU HA H 80 4.377 4.306 0.071 1
1 860 . 1 1 1 A 80 80 LEU C C 80 175.846 175.686 0.160 1
1 861 . 1 1 1 A 80 80 LEU CA C 80 54.400 54.559 -0.159 1
1 862 . 1 1 1 A 80 80 LEU CB C 80 41.520 41.126 0.394 1
1 866 . 1 1 1 A 80 80 LEU N N 80 123.584 127.082 -3.498 1
1 867 . 1 1 1 A 81 81 TYR H H 81 8.090 8.366 -0.276 1
1 868 . 1 1 1 A 81 81 TYR HA H 81 5.085 4.681 0.404 1
1 875 . 1 1 1 A 81 81 TYR C C 81 175.341 174.571 0.770 1
1 876 . 1 1 1 A 81 81 TYR CA C 81 55.561 56.973 -1.412 1
1 877 . 1 1 1 A 81 81 TYR CB C 81 36.792 38.167 -1.375 1
1 882 . 1 1 1 A 81 81 TYR N N 81 123.717 125.596 -1.879 1
1 883 . 1 1 1 A 82 82 PRO HA H 82 4.358 4.384 -0.026 1
1 890 . 1 1 1 A 82 82 PRO CA C 82 64.469 63.608 0.861 1
1 891 . 1 1 1 A 82 82 PRO CB C 82 31.395 30.556 0.839 1
1 894 . 1 1 1 A 83 83 GLY HA2 H 83 4.164 3.919 0.245 1
1 895 . 1 1 1 A 83 83 GLY HA3 H 83 3.880 3.922 -0.042 1
1 896 . 1 1 1 A 83 83 GLY C C 83 174.832 174.968 -0.136 1
1 897 . 1 1 1 A 83 83 GLY CA C 83 45.437 46.773 -1.336 1
1 898 . 1 1 1 A 84 84 GLY H H 84 7.641 7.803 -0.162 1
1 899 . 1 1 1 A 84 84 GLY HA2 H 84 4.581 4.076 0.505 1
1 900 . 1 1 1 A 84 84 GLY HA3 H 84 3.788 4.086 -0.298 1
1 901 . 1 1 1 A 84 84 GLY C C 84 174.354 174.896 -0.542 1
1 902 . 1 1 1 A 84 84 GLY CA C 84 44.801 45.724 -0.923 1
1 903 . 1 1 1 A 84 84 GLY N N 84 107.816 106.047 1.769 1
1 904 . 1 1 1 A 85 85 GLY H H 85 8.303 8.630 -0.327 1
1 905 . 1 1 1 A 85 85 GLY HA2 H 85 4.322 4.029 0.293 1
1 906 . 1 1 1 A 85 85 GLY HA3 H 85 4.113 4.081 0.032 1
1 907 . 1 1 1 A 85 85 GLY C C 85 172.757 173.075 -0.318 1
1 908 . 1 1 1 A 85 85 GLY CA C 85 44.602 45.462 -0.860 1
1 909 . 1 1 1 A 85 85 GLY N N 85 108.998 110.056 -1.058 1
1 910 . 1 1 1 A 86 86 SER H H 86 8.361 8.343 0.018 1
1 911 . 1 1 1 A 86 86 SER HA H 86 5.024 4.510 0.514 1
1 914 . 1 1 1 A 86 86 SER C C 86 173.484 172.115 1.369 1
1 915 . 1 1 1 A 86 86 SER CA C 86 57.738 57.122 0.616 1
1 916 . 1 1 1 A 86 86 SER CB C 86 66.693 65.800 0.893 1
1 917 . 1 1 1 A 86 86 SER N N 86 111.910 112.506 -0.596 1
1 918 . 1 1 1 A 87 87 SER H H 87 8.105 7.581 0.524 1
1 919 . 1 1 1 A 87 87 SER HA H 87 4.827 5.503 -0.676 1
1 922 . 1 1 1 A 87 87 SER C C 87 173.377 173.288 0.089 1
1 923 . 1 1 1 A 87 87 SER CA C 87 57.737 56.726 1.011 1
1 924 . 1 1 1 A 87 87 SER CB C 87 65.849 66.627 -0.778 1
1 925 . 1 1 1 A 87 87 SER N N 87 112.598 117.288 -4.690 1
1 926 . 1 1 1 A 88 88 THR H H 88 8.778 8.866 -0.088 1
1 927 . 1 1 1 A 88 88 THR HA H 88 5.439 5.024 0.415 1
1 932 . 1 1 1 A 88 88 THR C C 88 173.289 172.969 0.320 1
1 933 . 1 1 1 A 88 88 THR CA C 88 62.083 61.565 0.518 1
1 934 . 1 1 1 A 88 88 THR CB C 88 72.001 71.270 0.731 1
1 936 . 1 1 1 A 88 88 THR N N 88 120.383 117.842 2.541 1
1 937 . 1 1 1 A 89 89 LEU H H 89 8.832 8.869 -0.037 1
1 938 . 1 1 1 A 89 89 LEU HA H 89 4.766 4.742 0.024 1
1 948 . 1 1 1 A 89 89 LEU C C 89 175.440 176.526 -1.086 1
1 949 . 1 1 1 A 89 89 LEU CA C 89 53.671 53.864 -0.193 1
1 950 . 1 1 1 A 89 89 LEU CB C 89 45.972 41.463 4.509 1
1 954 . 1 1 1 A 89 89 LEU N N 89 128.653 128.096 0.557 1
1 955 . 1 1 1 A 90 90 THR H H 90 8.576 8.639 -0.063 1
1 956 . 1 1 1 A 90 90 THR HA H 90 5.622 5.002 0.620 1
1 961 . 1 1 1 A 90 90 THR C C 90 174.307 174.449 -0.142 1
1 962 . 1 1 1 A 90 90 THR CA C 90 60.799 61.118 -0.319 1
1 963 . 1 1 1 A 90 90 THR CB C 90 71.589 69.931 1.658 1
1 965 . 1 1 1 A 90 90 THR N N 90 115.259 117.129 -1.870 1
1 966 . 1 1 1 A 91 91 GLY H H 91 9.071 9.074 -0.003 1
1 967 . 1 1 1 A 91 91 GLY HA2 H 91 4.605 4.412 0.193 1
1 968 . 1 1 1 A 91 91 GLY HA3 H 91 3.960 4.529 -0.569 1
1 969 . 1 1 1 A 91 91 GLY C C 91 170.717 172.012 -1.295 1
1 970 . 1 1 1 A 91 91 GLY CA C 91 45.314 45.191 0.123 1
1 971 . 1 1 1 A 91 91 GLY N N 91 112.300 109.526 2.774 1
1 972 . 1 1 1 A 92 92 ARG H H 92 8.558 8.733 -0.175 1
1 973 . 1 1 1 A 92 92 ARG HA H 92 5.594 4.766 0.828 1
1 980 . 1 1 1 A 92 92 ARG C C 92 173.260 174.975 -1.715 1
1 981 . 1 1 1 A 92 92 ARG CA C 92 54.806 55.810 -1.004 1
1 982 . 1 1 1 A 92 92 ARG CB C 92 34.464 31.839 2.625 1
1 985 . 1 1 1 A 92 92 ARG N N 92 119.774 124.704 -4.930 1
1 986 . 1 1 1 A 93 93 VAL H H 93 8.430 8.211 0.219 1
1 987 . 1 1 1 A 93 93 VAL HA H 93 4.081 4.398 -0.317 1
1 995 . 1 1 1 A 93 93 VAL C C 93 171.210 173.631 -2.421 1
1 996 . 1 1 1 A 93 93 VAL CA C 93 58.915 59.744 -0.829 1
1 997 . 1 1 1 A 93 93 VAL CB C 93 33.683 34.655 -0.972 1
1 1000 . 1 1 1 A 93 93 VAL N N 93 120.381 119.723 0.658 1
1 1001 . 1 1 1 A 94 94 THR H H 94 8.129 8.709 -0.580 1
1 1002 . 1 1 1 A 94 94 THR HA H 94 5.342 4.800 0.542 1
1 1007 . 1 1 1 A 94 94 THR C C 94 174.637 174.687 -0.050 1
1 1008 . 1 1 1 A 94 94 THR CA C 94 60.799 62.080 -1.281 1
1 1009 . 1 1 1 A 94 94 THR CB C 94 70.768 69.222 1.546 1
1 1011 . 1 1 1 A 94 94 THR N N 94 124.645 123.967 0.678 1
1 1012 . 1 1 1 A 95 95 THR H H 95 8.906 8.608 0.298 1
1 1013 . 1 1 1 A 95 95 THR HA H 95 4.115 4.352 -0.237 1
1 1018 . 1 1 1 A 95 95 THR C C 95 175.367 174.240 1.127 1
1 1019 . 1 1 1 A 95 95 THR CA C 95 60.909 61.862 -0.953 1
1 1020 . 1 1 1 A 95 95 THR CB C 95 70.346 70.254 0.092 1
1 1022 . 1 1 1 A 95 95 THR N N 95 116.835 120.655 -3.820 1
1 1023 . 1 1 1 A 96 96 LYS H H 96 7.372 8.744 -1.372 1
1 1024 . 1 1 1 A 96 96 LYS HA H 96 4.189 4.375 -0.186 1
1 1033 . 1 1 1 A 96 96 LYS C C 96 176.308 177.384 -1.076 1
1 1034 . 1 1 1 A 96 96 LYS CA C 96 55.207 56.142 -0.935 1
1 1035 . 1 1 1 A 96 96 LYS CB C 96 34.095 33.459 0.636 1
1 1039 . 1 1 1 A 96 96 LYS N N 96 116.829 121.971 -5.142 1
1 1040 . 1 1 1 A 97 97 LYS H H 97 8.113 8.558 -0.445 1
1 1041 . 1 1 1 A 97 97 LYS HA H 97 4.356 4.388 -0.032 1
1 1050 . 1 1 1 A 97 97 LYS C C 97 176.106 176.537 -0.431 1
1 1051 . 1 1 1 A 97 97 LYS CA C 97 56.260 56.488 -0.228 1
1 1052 . 1 1 1 A 97 97 LYS CB C 97 33.140 33.060 0.080 1
1 1056 . 1 1 1 A 97 97 LYS N N 97 119.233 121.543 -2.310 1
1 1057 . 1 1 1 A 98 98 ALA H H 98 8.484 8.584 -0.100 1
1 1058 . 1 1 1 A 98 98 ALA HA H 98 4.054 4.292 -0.238 1
1 1062 . 1 1 1 A 98 98 ALA C C 98 175.754 175.459 0.295 1
1 1063 . 1 1 1 A 98 98 ALA CA C 98 50.511 49.781 0.730 1
1 1064 . 1 1 1 A 98 98 ALA CB C 98 17.093 19.684 -2.591 1
1 1065 . 1 1 1 A 98 98 ALA N N 98 126.424 126.015 0.409 1
1 1066 . 1 1 1 A 99 99 PRO HA H 99 4.313 4.375 -0.062 1
1 1073 . 1 1 1 A 99 99 PRO C C 99 176.506 177.413 -0.907 1
1 1074 . 1 1 1 A 99 99 PRO CA C 99 62.584 62.607 -0.023 1
1 1075 . 1 1 1 A 99 99 PRO CB C 99 32.024 32.090 -0.066 1
1 1078 . 1 1 1 A 100 100 SER H H 100 8.377 8.275 0.102 1
1 1079 . 1 1 1 A 100 100 SER HA H 100 4.688 4.532 0.156 1
1 1082 . 1 1 1 A 100 100 SER CA C 100 56.296 57.034 -0.738 1
1 1083 . 1 1 1 A 100 100 SER CB C 100 63.276 62.880 0.396 1
1 1084 . 1 1 1 A 100 100 SER N N 100 117.700 115.938 1.762 1
1 1086 . 1 1 1 A 103 103 SER HA H 103 4.507 5.481 -0.974 1
1 1089 . 1 1 1 A 103 103 SER CA C 103 58.198 56.349 1.849 1
1 1090 . 1 1 1 A 103 103 SER CB C 103 63.882 65.331 -1.449 1
1 1091 . 1 1 1 A 104 104 GLY H H 104 8.233 8.793 -0.560 1
1 1092 . 1 1 1 A 104 104 GLY HA2 H 104 4.124 4.185 -0.061 1
1 1093 . 1 1 1 A 104 104 GLY HA3 H 104 4.124 4.186 -0.062 1
1 1094 . 1 1 1 A 104 104 GLY CA C 104 44.608 44.203 0.405 1
1 1095 . 1 1 1 A 104 104 GLY N N 104 110.600 110.982 -0.382 1
1 1096 . 1 1 1 A 105 105 PRO HA H 105 4.460 4.605 -0.145 1
1 1103 . 1 1 1 A 105 105 PRO CA C 105 63.264 62.546 0.718 1
1 1104 . 1 1 1 A 105 105 PRO CB C 105 32.094 33.207 -1.113 1
1 1 . 2 1 1 A 6 6 SER HA H 6 4.470 5.217 -0.747 1
1 3 . 2 1 1 A 6 6 SER C C 6 175.031 173.053 1.978 1
1 4 . 2 1 1 A 6 6 SER CA C 6 58.687 56.335 2.352 1
1 5 . 2 1 1 A 6 6 SER CB C 6 63.635 65.416 -1.781 1
1 6 . 2 1 1 A 7 7 GLY H H 7 8.390 8.598 -0.208 1
1 7 . 2 1 1 A 7 7 GLY HA2 H 7 3.941 4.210 -0.269 1
1 8 . 2 1 1 A 7 7 GLY HA3 H 7 3.941 4.211 -0.270 1
1 9 . 2 1 1 A 7 7 GLY C C 7 173.892 173.976 -0.084 1
1 10 . 2 1 1 A 7 7 GLY CA C 7 45.348 45.766 -0.418 1
1 11 . 2 1 1 A 7 7 GLY N N 7 110.659 113.368 -2.709 1
1 12 . 2 1 1 A 8 8 LEU H H 8 8.017 7.596 0.421 1
1 13 . 2 1 1 A 8 8 LEU HA H 8 4.347 5.067 -0.720 1
1 23 . 2 1 1 A 8 8 LEU C C 8 176.816 175.791 1.025 1
1 24 . 2 1 1 A 8 8 LEU CA C 8 54.760 52.523 2.237 1
1 25 . 2 1 1 A 8 8 LEU CB C 8 42.565 45.777 -3.212 1
1 29 . 2 1 1 A 8 8 LEU N N 8 121.546 116.534 5.012 1
1 30 . 2 1 1 A 9 9 ALA H H 9 8.291 8.533 -0.242 1
1 31 . 2 1 1 A 9 9 ALA HA H 9 4.589 4.642 -0.053 1
1 35 . 2 1 1 A 9 9 ALA C C 9 174.928 175.650 -0.722 1
1 36 . 2 1 1 A 9 9 ALA CA C 9 50.381 50.527 -0.146 1
1 37 . 2 1 1 A 9 9 ALA CB C 9 18.293 18.543 -0.250 1
1 38 . 2 1 1 A 9 9 ALA N N 9 126.618 121.912 4.706 1
1 39 . 2 1 1 A 10 10 PRO HA H 10 4.708 4.619 0.089 1
1 45 . 2 1 1 A 10 10 PRO CA C 10 61.347 61.761 -0.414 1
1 46 . 2 1 1 A 10 10 PRO CB C 10 30.783 32.319 -1.536 1
1 49 . 2 1 1 A 11 11 PRO HA H 11 4.442 4.349 0.093 1
1 56 . 2 1 1 A 11 11 PRO C C 11 176.585 176.607 -0.022 1
1 57 . 2 1 1 A 11 11 PRO CA C 11 63.016 64.989 -1.973 1
1 58 . 2 1 1 A 11 11 PRO CB C 11 32.096 32.212 -0.116 1
1 61 . 2 1 1 A 12 12 ARG H H 12 8.348 7.597 0.751 1
1 62 . 2 1 1 A 12 12 ARG HA H 12 4.405 4.923 -0.518 1
1 69 . 2 1 1 A 12 12 ARG C C 12 175.204 174.457 0.747 1
1 70 . 2 1 1 A 12 12 ARG CA C 12 55.797 54.072 1.725 1
1 71 . 2 1 1 A 12 12 ARG CB C 12 32.052 35.267 -3.215 1
1 74 . 2 1 1 A 12 12 ARG N N 12 120.519 117.704 2.815 1
1 75 . 2 1 1 A 13 13 HIS H H 13 8.296 8.967 -0.671 1
1 76 . 2 1 1 A 13 13 HIS HA H 13 4.815 4.928 -0.113 1
1 81 . 2 1 1 A 13 13 HIS C C 13 174.544 175.157 -0.613 1
1 82 . 2 1 1 A 13 13 HIS CA C 13 55.783 55.851 -0.068 1
1 83 . 2 1 1 A 13 13 HIS CB C 13 32.469 31.713 0.756 1
1 86 . 2 1 1 A 13 13 HIS N N 13 118.569 117.337 1.232 1
1 87 . 2 1 1 A 14 14 LEU H H 14 8.209 8.464 -0.255 1
1 88 . 2 1 1 A 14 14 LEU HA H 14 4.655 4.851 -0.196 1
1 98 . 2 1 1 A 14 14 LEU C C 14 175.977 175.913 0.064 1
1 99 . 2 1 1 A 14 14 LEU CA C 14 53.935 53.714 0.221 1
1 100 . 2 1 1 A 14 14 LEU CB C 14 44.113 43.219 0.894 1
1 104 . 2 1 1 A 14 14 LEU N N 14 120.625 122.030 -1.405 1
1 105 . 2 1 1 A 15 15 GLY H H 15 7.988 7.660 0.328 1
1 106 . 2 1 1 A 15 15 GLY HA2 H 15 4.008 2.943 1.065 1
1 107 . 2 1 1 A 15 15 GLY HA3 H 15 2.486 3.878 -1.392 1
1 108 . 2 1 1 A 15 15 GLY C C 15 170.056 170.995 -0.939 1
1 109 . 2 1 1 A 15 15 GLY CA C 15 43.188 43.762 -0.574 1
1 110 . 2 1 1 A 15 15 GLY N N 15 111.142 107.805 3.337 1
1 111 . 2 1 1 A 16 16 PHE H H 16 8.078 8.688 -0.610 1
1 112 . 2 1 1 A 16 16 PHE HA H 16 5.830 5.517 0.313 1
1 120 . 2 1 1 A 16 16 PHE C C 16 175.968 174.289 1.679 1
1 121 . 2 1 1 A 16 16 PHE CA C 16 56.048 56.364 -0.316 1
1 122 . 2 1 1 A 16 16 PHE CB C 16 43.353 40.940 2.413 1
1 128 . 2 1 1 A 16 16 PHE N N 16 114.388 123.530 -9.142 1
1 129 . 2 1 1 A 17 17 SER H H 17 9.811 9.174 0.637 1
1 130 . 2 1 1 A 17 17 SER HA H 17 4.883 5.146 -0.263 1
1 133 . 2 1 1 A 17 17 SER C C 17 171.638 172.654 -1.016 1
1 134 . 2 1 1 A 17 17 SER CA C 17 57.073 56.061 1.012 1
1 135 . 2 1 1 A 17 17 SER CB C 17 66.893 66.839 0.054 1
1 136 . 2 1 1 A 17 17 SER N N 17 118.688 118.236 0.452 1
1 137 . 2 1 1 A 18 18 ASP H H 18 9.001 8.755 0.246 1
1 138 . 2 1 1 A 18 18 ASP HA H 18 4.171 4.095 0.076 1
1 141 . 2 1 1 A 18 18 ASP C C 18 174.520 175.498 -0.978 1
1 142 . 2 1 1 A 18 18 ASP CA C 18 55.333 55.062 0.271 1
1 143 . 2 1 1 A 18 18 ASP CB C 18 40.075 39.433 0.642 1
1 144 . 2 1 1 A 18 18 ASP N N 18 116.878 120.767 -3.889 1
1 145 . 2 1 1 A 19 19 VAL H H 19 8.202 8.078 0.124 1
1 146 . 2 1 1 A 19 19 VAL HA H 19 4.169 4.124 0.045 1
1 154 . 2 1 1 A 19 19 VAL C C 19 176.641 175.297 1.344 1
1 155 . 2 1 1 A 19 19 VAL CA C 19 63.962 63.094 0.868 1
1 156 . 2 1 1 A 19 19 VAL CB C 19 31.236 31.970 -0.734 1
1 159 . 2 1 1 A 19 19 VAL N N 19 117.253 119.700 -2.447 1
1 160 . 2 1 1 A 20 20 SER H H 20 9.066 9.199 -0.133 1
1 161 . 2 1 1 A 20 20 SER HA H 20 5.061 5.002 0.059 1
1 164 . 2 1 1 A 20 20 SER C C 20 174.081 174.832 -0.751 1
1 165 . 2 1 1 A 20 20 SER CA C 20 55.582 57.364 -1.782 1
1 166 . 2 1 1 A 20 20 SER CB C 20 65.090 66.680 -1.590 1
1 167 . 2 1 1 A 20 20 SER N N 20 126.686 119.529 7.157 1
1 168 . 2 1 1 A 21 21 HIS H H 21 8.635 8.587 0.048 1
1 169 . 2 1 1 A 21 21 HIS HA H 21 4.895 4.738 0.157 1
1 174 . 2 1 1 A 21 21 HIS C C 21 175.242 175.496 -0.254 1
1 175 . 2 1 1 A 21 21 HIS CA C 21 56.934 57.041 -0.107 1
1 176 . 2 1 1 A 21 21 HIS CB C 21 30.651 29.893 0.758 1
1 179 . 2 1 1 A 21 21 HIS N N 21 117.241 120.943 -3.702 1
1 180 . 2 1 1 A 22 22 ASP H H 22 7.400 7.699 -0.299 1
1 181 . 2 1 1 A 22 22 ASP HA H 22 4.803 5.097 -0.294 1
1 184 . 2 1 1 A 22 22 ASP C C 22 176.754 174.969 1.785 1
1 185 . 2 1 1 A 22 22 ASP CA C 22 52.316 53.226 -0.910 1
1 186 . 2 1 1 A 22 22 ASP CB C 22 41.697 41.832 -0.135 1
1 187 . 2 1 1 A 22 22 ASP N N 22 115.766 115.649 0.117 1
1 188 . 2 1 1 A 23 23 ALA H H 23 7.379 7.463 -0.084 1
1 189 . 2 1 1 A 23 23 ALA HA H 23 4.753 4.593 0.160 1
1 193 . 2 1 1 A 23 23 ALA C C 23 174.757 175.094 -0.337 1
1 194 . 2 1 1 A 23 23 ALA CA C 23 51.613 51.573 0.040 1
1 195 . 2 1 1 A 23 23 ALA CB C 23 22.882 22.389 0.493 1
1 196 . 2 1 1 A 23 23 ALA N N 23 122.521 119.402 3.119 1
1 197 . 2 1 1 A 24 24 ALA H H 24 7.745 8.077 -0.332 1
1 198 . 2 1 1 A 24 24 ALA HA H 24 4.593 4.826 -0.233 1
1 202 . 2 1 1 A 24 24 ALA C C 24 173.662 175.135 -1.473 1
1 203 . 2 1 1 A 24 24 ALA CA C 24 52.233 51.752 0.481 1
1 204 . 2 1 1 A 24 24 ALA CB C 24 22.894 22.830 0.064 1
1 205 . 2 1 1 A 24 24 ALA N N 24 115.485 120.099 -4.614 1
1 206 . 2 1 1 A 25 25 ARG H H 25 8.690 8.303 0.387 1
1 207 . 2 1 1 A 25 25 ARG HA H 25 5.209 4.911 0.298 1
1 214 . 2 1 1 A 25 25 ARG C C 25 174.777 174.884 -0.107 1
1 215 . 2 1 1 A 25 25 ARG CA C 25 55.161 55.261 -0.100 1
1 216 . 2 1 1 A 25 25 ARG CB C 25 32.329 31.797 0.532 1
1 219 . 2 1 1 A 25 25 ARG N N 25 122.853 123.729 -0.876 1
1 220 . 2 1 1 A 26 26 VAL H H 26 8.865 9.059 -0.194 1
1 221 . 2 1 1 A 26 26 VAL HA H 26 5.120 5.035 0.085 1
1 229 . 2 1 1 A 26 26 VAL C C 26 172.428 174.985 -2.557 1
1 230 . 2 1 1 A 26 26 VAL CA C 26 57.420 59.819 -2.399 1
1 231 . 2 1 1 A 26 26 VAL CB C 26 34.734 34.516 0.218 1
1 234 . 2 1 1 A 26 26 VAL N N 26 125.534 127.000 -1.466 1
1 235 . 2 1 1 A 27 27 PHE H H 27 8.520 8.915 -0.395 1
1 236 . 2 1 1 A 27 27 PHE HA H 27 5.039 5.181 -0.142 1
1 244 . 2 1 1 A 27 27 PHE C C 27 172.979 172.748 0.231 1
1 245 . 2 1 1 A 27 27 PHE CA C 27 56.293 55.197 1.096 1
1 246 . 2 1 1 A 27 27 PHE CB C 27 42.190 42.294 -0.104 1
1 252 . 2 1 1 A 27 27 PHE N N 27 123.552 122.287 1.265 1
1 253 . 2 1 1 A 28 28 TRP H H 28 7.813 7.783 0.030 1
1 254 . 2 1 1 A 28 28 TRP HA H 28 5.058 5.640 -0.582 1
1 263 . 2 1 1 A 28 28 TRP C C 28 174.131 176.135 -2.004 1
1 264 . 2 1 1 A 28 28 TRP CA C 28 55.730 54.684 1.046 1
1 265 . 2 1 1 A 28 28 TRP CB C 28 30.997 32.731 -1.734 1
1 271 . 2 1 1 A 28 28 TRP N N 28 116.968 119.220 -2.252 1
1 273 . 2 1 1 A 29 29 GLU H H 29 8.362 9.161 -0.799 1
1 274 . 2 1 1 A 29 29 GLU HA H 29 4.356 4.392 -0.036 1
1 279 . 2 1 1 A 29 29 GLU C C 29 177.125 176.826 0.299 1
1 280 . 2 1 1 A 29 29 GLU CA C 29 55.820 56.552 -0.732 1
1 281 . 2 1 1 A 29 29 GLU CB C 29 31.085 29.734 1.351 1
1 283 . 2 1 1 A 29 29 GLU N N 29 119.239 119.248 -0.009 1
1 284 . 2 1 1 A 30 30 GLY H H 30 8.729 8.151 0.578 1
1 285 . 2 1 1 A 30 30 GLY HA2 H 30 4.051 4.201 -0.150 1
1 286 . 2 1 1 A 30 30 GLY HA3 H 30 3.781 4.406 -0.625 1
1 287 . 2 1 1 A 30 30 GLY C C 30 173.621 172.864 0.757 1
1 288 . 2 1 1 A 30 30 GLY CA C 30 45.559 44.826 0.733 1
1 289 . 2 1 1 A 30 30 GLY N N 30 110.979 107.779 3.200 1
1 290 . 2 1 1 A 31 31 ALA H H 31 8.747 8.021 0.726 1
1 291 . 2 1 1 A 31 31 ALA HA H 31 4.577 5.032 -0.455 1
1 295 . 2 1 1 A 31 31 ALA C C 31 177.064 177.416 -0.352 1
1 296 . 2 1 1 A 31 31 ALA CA C 31 50.416 50.049 0.367 1
1 297 . 2 1 1 A 31 31 ALA CB C 31 19.221 21.942 -2.721 1
1 298 . 2 1 1 A 31 31 ALA N N 31 126.357 121.313 5.044 1
1 299 . 2 1 1 A 32 32 PRO HA H 32 4.630 4.492 0.138 1
1 306 . 2 1 1 A 32 32 PRO C C 32 175.001 175.250 -0.249 1
1 307 . 2 1 1 A 32 32 PRO CA C 32 63.368 63.987 -0.619 1
1 308 . 2 1 1 A 32 32 PRO CB C 32 30.738 31.446 -0.708 1
1 311 . 2 1 1 A 33 33 ARG H H 33 7.418 7.496 -0.078 1
1 312 . 2 1 1 A 33 33 ARG HA H 33 4.746 4.843 -0.097 1
1 319 . 2 1 1 A 33 33 ARG C C 33 172.695 173.371 -0.676 1
1 320 . 2 1 1 A 33 33 ARG CA C 33 53.205 53.986 -0.781 1
1 321 . 2 1 1 A 33 33 ARG CB C 33 30.414 32.614 -2.200 1
1 324 . 2 1 1 A 33 33 ARG N N 33 117.994 113.849 4.145 1
1 325 . 2 1 1 A 34 34 PRO HA H 34 4.273 4.757 -0.484 1
1 332 . 2 1 1 A 34 34 PRO C C 34 175.342 176.186 -0.844 1
1 333 . 2 1 1 A 34 34 PRO CA C 34 64.037 62.607 1.430 1
1 334 . 2 1 1 A 34 34 PRO CB C 34 32.581 32.472 0.109 1
1 337 . 2 1 1 A 35 35 VAL H H 35 8.264 8.636 -0.372 1
1 338 . 2 1 1 A 35 35 VAL HA H 35 4.237 4.852 -0.615 1
1 346 . 2 1 1 A 35 35 VAL C C 35 175.771 176.270 -0.499 1
1 347 . 2 1 1 A 35 35 VAL CA C 35 61.890 60.609 1.281 1
1 348 . 2 1 1 A 35 35 VAL CB C 35 35.092 35.891 -0.799 1
1 351 . 2 1 1 A 35 35 VAL N N 35 122.377 122.149 0.228 1
1 352 . 2 1 1 A 36 36 ARG H H 36 9.278 8.712 0.566 1
1 353 . 2 1 1 A 36 36 ARG HA H 36 4.426 4.378 0.048 1
1 360 . 2 1 1 A 36 36 ARG C C 36 175.620 176.075 -0.455 1
1 361 . 2 1 1 A 36 36 ARG CA C 36 57.672 57.339 0.333 1
1 362 . 2 1 1 A 36 36 ARG CB C 36 31.595 31.146 0.449 1
1 365 . 2 1 1 A 36 36 ARG N N 36 125.821 122.829 2.992 1
1 366 . 2 1 1 A 37 37 LEU H H 37 7.525 7.137 0.388 1
1 367 . 2 1 1 A 37 37 LEU HA H 37 4.403 4.821 -0.418 1
1 377 . 2 1 1 A 37 37 LEU C C 37 172.405 174.271 -1.866 1
1 378 . 2 1 1 A 37 37 LEU CA C 37 54.913 53.887 1.026 1
1 379 . 2 1 1 A 37 37 LEU CB C 37 46.166 45.338 0.828 1
1 383 . 2 1 1 A 37 37 LEU N N 37 119.761 119.261 0.500 1
1 384 . 2 1 1 A 38 38 VAL H H 38 8.513 8.683 -0.170 1
1 385 . 2 1 1 A 38 38 VAL HA H 38 4.790 4.659 0.131 1
1 393 . 2 1 1 A 38 38 VAL C C 38 174.595 174.300 0.295 1
1 394 . 2 1 1 A 38 38 VAL CA C 38 60.992 61.113 -0.121 1
1 395 . 2 1 1 A 38 38 VAL CB C 38 33.979 34.814 -0.835 1
1 398 . 2 1 1 A 38 38 VAL N N 38 123.604 123.146 0.458 1
1 399 . 2 1 1 A 39 39 ARG H H 39 9.025 9.351 -0.326 1
1 400 . 2 1 1 A 39 39 ARG HA H 39 4.839 4.991 -0.152 1
1 407 . 2 1 1 A 39 39 ARG C C 39 174.581 174.601 -0.020 1
1 408 . 2 1 1 A 39 39 ARG CA C 39 55.150 54.756 0.394 1
1 409 . 2 1 1 A 39 39 ARG CB C 39 32.919 32.250 0.669 1
1 412 . 2 1 1 A 39 39 ARG N N 39 126.442 129.120 -2.678 1
1 413 . 2 1 1 A 40 40 VAL H H 40 9.059 9.257 -0.198 1
1 414 . 2 1 1 A 40 40 VAL HA H 40 5.177 5.033 0.144 1
1 422 . 2 1 1 A 40 40 VAL C C 40 175.508 175.190 0.318 1
1 423 . 2 1 1 A 40 40 VAL CA C 40 60.513 61.218 -0.705 1
1 424 . 2 1 1 A 40 40 VAL CB C 40 33.390 33.556 -0.166 1
1 427 . 2 1 1 A 40 40 VAL N N 40 127.219 127.114 0.105 1
1 428 . 2 1 1 A 41 41 THR H H 41 9.244 9.009 0.235 1
1 429 . 2 1 1 A 41 41 THR HA H 41 5.056 4.966 0.090 1
1 434 . 2 1 1 A 41 41 THR C C 41 173.323 173.142 0.181 1
1 435 . 2 1 1 A 41 41 THR CA C 41 59.618 60.575 -0.957 1
1 436 . 2 1 1 A 41 41 THR CB C 41 71.668 71.603 0.065 1
1 438 . 2 1 1 A 41 41 THR N N 41 117.579 116.783 0.796 1
1 439 . 2 1 1 A 42 42 TYR H H 42 7.955 8.303 -0.348 1
1 440 . 2 1 1 A 42 42 TYR HA H 42 5.825 6.142 -0.317 1
1 447 . 2 1 1 A 42 42 TYR C C 42 173.794 173.353 0.441 1
1 448 . 2 1 1 A 42 42 TYR CA C 42 54.314 55.205 -0.891 1
1 449 . 2 1 1 A 42 42 TYR CB C 42 39.788 42.365 -2.577 1
1 454 . 2 1 1 A 42 42 TYR N N 42 117.304 119.093 -1.789 1
1 455 . 2 1 1 A 43 43 VAL H H 43 8.547 8.679 -0.132 1
1 456 . 2 1 1 A 43 43 VAL HA H 43 5.069 4.849 0.220 1
1 464 . 2 1 1 A 43 43 VAL C C 43 174.912 172.676 2.236 1
1 465 . 2 1 1 A 43 43 VAL CA C 43 60.142 60.395 -0.253 1
1 466 . 2 1 1 A 43 43 VAL CB C 43 35.329 35.674 -0.345 1
1 469 . 2 1 1 A 43 43 VAL N N 43 119.038 121.578 -2.540 1
1 470 . 2 1 1 A 44 44 SER H H 44 9.123 8.229 0.894 1
1 471 . 2 1 1 A 44 44 SER HA H 44 4.307 3.501 0.806 1
1 474 . 2 1 1 A 44 44 SER C C 44 176.777 175.156 1.621 1
1 475 . 2 1 1 A 44 44 SER CA C 44 57.838 58.205 -0.367 1
1 476 . 2 1 1 A 44 44 SER CB C 44 64.064 63.665 0.399 1
1 477 . 2 1 1 A 44 44 SER N N 44 124.942 121.726 3.216 1
1 478 . 2 1 1 A 45 45 SER H H 45 8.562 8.638 -0.076 1
1 479 . 2 1 1 A 45 45 SER HA H 45 4.175 4.057 0.118 1
1 482 . 2 1 1 A 45 45 SER C C 45 175.366 175.284 0.082 1
1 483 . 2 1 1 A 45 45 SER CA C 45 61.239 61.451 -0.212 1
1 484 . 2 1 1 A 45 45 SER CB C 45 62.976 62.957 0.019 1
1 485 . 2 1 1 A 45 45 SER N N 45 119.157 120.504 -1.347 1
1 486 . 2 1 1 A 46 46 GLU H H 46 8.321 7.905 0.416 1
1 487 . 2 1 1 A 46 46 GLU HA H 46 4.442 4.238 0.204 1
1 492 . 2 1 1 A 46 46 GLU C C 46 177.463 177.126 0.337 1
1 493 . 2 1 1 A 46 46 GLU CA C 46 56.409 55.693 0.716 1
1 494 . 2 1 1 A 46 46 GLU CB C 46 29.633 28.585 1.048 1
1 496 . 2 1 1 A 46 46 GLU N N 46 119.112 115.631 3.481 1
1 497 . 2 1 1 A 47 47 GLY H H 47 8.129 7.971 0.158 1
1 498 . 2 1 1 A 47 47 GLY HA2 H 47 4.150 3.853 0.297 1
1 499 . 2 1 1 A 47 47 GLY HA3 H 47 3.646 3.868 -0.222 1
1 500 . 2 1 1 A 47 47 GLY C C 47 175.047 174.440 0.607 1
1 501 . 2 1 1 A 47 47 GLY CA C 47 45.400 46.953 -1.553 1
1 502 . 2 1 1 A 47 47 GLY N N 47 109.344 109.599 -0.255 1
1 503 . 2 1 1 A 48 48 GLY H H 48 7.927 8.146 -0.219 1
1 504 . 2 1 1 A 48 48 GLY HA2 H 48 3.982 4.117 -0.135 1
1 505 . 2 1 1 A 48 48 GLY HA3 H 48 3.855 4.119 -0.264 1
1 506 . 2 1 1 A 48 48 GLY C C 48 173.614 172.625 0.989 1
1 507 . 2 1 1 A 48 48 GLY CA C 48 46.073 45.782 0.291 1
1 508 . 2 1 1 A 48 48 GLY N N 48 107.840 109.629 -1.789 1
1 509 . 2 1 1 A 49 49 HIS H H 49 7.985 8.247 -0.262 1
1 510 . 2 1 1 A 49 49 HIS HA H 49 4.951 4.561 0.390 1
1 515 . 2 1 1 A 49 49 HIS C C 49 173.760 174.077 -0.317 1
1 516 . 2 1 1 A 49 49 HIS CA C 49 56.608 57.239 -0.631 1
1 517 . 2 1 1 A 49 49 HIS CB C 49 33.119 30.435 2.684 1
1 520 . 2 1 1 A 49 49 HIS N N 49 120.577 122.772 -2.195 1
1 521 . 2 1 1 A 50 50 SER H H 50 8.118 8.768 -0.650 1
1 522 . 2 1 1 A 50 50 SER HA H 50 5.184 5.227 -0.043 1
1 525 . 2 1 1 A 50 50 SER C C 50 172.582 173.575 -0.993 1
1 526 . 2 1 1 A 50 50 SER CA C 50 56.463 55.900 0.563 1
1 527 . 2 1 1 A 50 50 SER CB C 50 66.423 66.425 -0.002 1
1 528 . 2 1 1 A 50 50 SER N N 50 120.879 122.104 -1.225 1
1 529 . 2 1 1 A 51 51 GLY H H 51 7.900 7.939 -0.039 1
1 530 . 2 1 1 A 51 51 GLY HA2 H 51 4.027 3.550 0.477 1
1 531 . 2 1 1 A 51 51 GLY HA3 H 51 3.236 4.100 -0.864 1
1 532 . 2 1 1 A 51 51 GLY C C 51 171.073 172.068 -0.995 1
1 533 . 2 1 1 A 51 51 GLY CA C 51 44.696 44.332 0.364 1
1 534 . 2 1 1 A 51 51 GLY N N 51 108.215 111.516 -3.301 1
1 535 . 2 1 1 A 52 52 GLN H H 52 8.256 8.475 -0.219 1
1 536 . 2 1 1 A 52 52 GLN HA H 52 5.308 5.126 0.182 1
1 543 . 2 1 1 A 52 52 GLN C C 52 174.217 173.519 0.698 1
1 544 . 2 1 1 A 52 52 GLN CA C 52 54.516 55.950 -1.434 1
1 545 . 2 1 1 A 52 52 GLN CB C 52 32.541 31.418 1.123 1
1 547 . 2 1 1 A 52 52 GLN N N 52 115.667 119.931 -4.264 1
1 549 . 2 1 1 A 53 53 THR H H 53 9.298 8.944 0.354 1
1 550 . 2 1 1 A 53 53 THR HA H 53 4.753 5.198 -0.445 1
1 555 . 2 1 1 A 53 53 THR C C 53 171.720 172.718 -0.998 1
1 556 . 2 1 1 A 53 53 THR CA C 53 60.869 60.114 0.755 1
1 557 . 2 1 1 A 53 53 THR CB C 53 70.580 71.770 -1.190 1
1 559 . 2 1 1 A 53 53 THR N N 53 117.486 121.226 -3.740 1
1 560 . 2 1 1 A 54 54 GLU H H 54 8.404 8.769 -0.365 1
1 561 . 2 1 1 A 54 54 GLU HA H 54 5.378 5.332 0.046 1
1 566 . 2 1 1 A 54 54 GLU C C 54 174.705 175.734 -1.029 1
1 567 . 2 1 1 A 54 54 GLU CA C 54 54.693 55.090 -0.397 1
1 568 . 2 1 1 A 54 54 GLU CB C 54 33.434 32.348 1.086 1
1 570 . 2 1 1 A 54 54 GLU N N 54 123.651 126.867 -3.216 1
1 571 . 2 1 1 A 55 55 ALA H H 55 9.471 9.007 0.464 1
1 572 . 2 1 1 A 55 55 ALA HA H 55 5.056 4.887 0.169 1
1 576 . 2 1 1 A 55 55 ALA C C 55 172.938 173.947 -1.009 1
1 577 . 2 1 1 A 55 55 ALA CA C 55 49.216 50.070 -0.854 1
1 578 . 2 1 1 A 55 55 ALA CB C 55 20.410 21.994 -1.584 1
1 579 . 2 1 1 A 55 55 ALA N N 55 126.815 122.508 4.307 1
1 580 . 2 1 1 A 56 56 PRO HA H 56 4.630 4.582 0.048 1
1 587 . 2 1 1 A 56 56 PRO C C 56 176.935 178.157 -1.222 1
1 588 . 2 1 1 A 56 56 PRO CA C 56 62.303 62.800 -0.497 1
1 589 . 2 1 1 A 56 56 PRO CB C 56 32.745 32.755 -0.010 1
1 592 . 2 1 1 A 57 57 GLY H H 57 8.240 8.739 -0.499 1
1 593 . 2 1 1 A 57 57 GLY HA2 H 57 3.839 3.906 -0.067 1
1 594 . 2 1 1 A 57 57 GLY HA3 H 57 3.547 3.925 -0.378 1
1 595 . 2 1 1 A 57 57 GLY C C 57 173.839 175.365 -1.526 1
1 596 . 2 1 1 A 57 57 GLY CA C 57 47.092 46.868 0.224 1
1 597 . 2 1 1 A 57 57 GLY N N 57 104.338 110.375 -6.037 1
1 598 . 2 1 1 A 58 58 ASN H H 58 7.935 8.235 -0.300 1
1 599 . 2 1 1 A 58 58 ASN HA H 58 4.778 4.680 0.098 1
1 604 . 2 1 1 A 58 58 ASN C C 58 175.578 175.883 -0.305 1
1 605 . 2 1 1 A 58 58 ASN CA C 58 52.176 54.766 -2.590 1
1 606 . 2 1 1 A 58 58 ASN CB C 58 37.384 38.887 -1.503 1
1 607 . 2 1 1 A 58 58 ASN N N 58 114.653 115.751 -1.098 1
1 609 . 2 1 1 A 59 59 ALA H H 59 8.041 7.534 0.507 1
1 610 . 2 1 1 A 59 59 ALA HA H 59 4.360 4.155 0.205 1
1 614 . 2 1 1 A 59 59 ALA C C 59 177.738 177.985 -0.247 1
1 615 . 2 1 1 A 59 59 ALA CA C 59 52.792 52.795 -0.003 1
1 616 . 2 1 1 A 59 59 ALA CB C 59 20.834 19.140 1.694 1
1 617 . 2 1 1 A 59 59 ALA N N 59 124.183 122.980 1.203 1
1 618 . 2 1 1 A 60 60 THR H H 60 8.274 8.673 -0.399 1
1 619 . 2 1 1 A 60 60 THR HA H 60 3.299 3.871 -0.572 1
1 624 . 2 1 1 A 60 60 THR C C 60 171.681 173.035 -1.354 1
1 625 . 2 1 1 A 60 60 THR CA C 60 59.732 60.550 -0.818 1
1 626 . 2 1 1 A 60 60 THR CB C 60 69.010 68.388 0.622 1
1 628 . 2 1 1 A 60 60 THR N N 60 108.095 113.669 -5.574 1
1 629 . 2 1 1 A 61 61 SER H H 61 6.728 7.328 -0.600 1
1 630 . 2 1 1 A 61 61 SER HA H 61 4.584 4.541 0.043 1
1 633 . 2 1 1 A 61 61 SER C C 61 172.948 172.444 0.504 1
1 634 . 2 1 1 A 61 61 SER CA C 61 57.403 57.313 0.090 1
1 635 . 2 1 1 A 61 61 SER CB C 61 65.767 65.348 0.419 1
1 636 . 2 1 1 A 61 61 SER N N 61 110.991 113.095 -2.104 1
1 637 . 2 1 1 A 62 62 ALA H H 62 8.954 8.607 0.347 1
1 638 . 2 1 1 A 62 62 ALA HA H 62 4.581 5.092 -0.511 1
1 642 . 2 1 1 A 62 62 ALA C C 62 174.741 176.034 -1.293 1
1 643 . 2 1 1 A 62 62 ALA CA C 62 51.949 51.210 0.739 1
1 644 . 2 1 1 A 62 62 ALA CB C 62 21.659 23.176 -1.517 1
1 645 . 2 1 1 A 62 62 ALA N N 62 119.306 122.974 -3.668 1
1 646 . 2 1 1 A 63 63 MET H H 63 8.599 8.479 0.120 1
1 647 . 2 1 1 A 63 63 MET HA H 63 4.993 4.977 0.016 1
1 655 . 2 1 1 A 63 63 MET C C 63 175.386 175.263 0.123 1
1 656 . 2 1 1 A 63 63 MET CA C 63 53.760 54.717 -0.957 1
1 657 . 2 1 1 A 63 63 MET CB C 63 31.842 34.382 -2.540 1
1 660 . 2 1 1 A 63 63 MET N N 63 120.537 120.125 0.412 1
1 661 . 2 1 1 A 64 64 LEU H H 64 9.244 8.462 0.782 1
1 662 . 2 1 1 A 64 64 LEU HA H 64 4.494 4.856 -0.362 1
1 672 . 2 1 1 A 64 64 LEU C C 64 175.976 175.334 0.642 1
1 673 . 2 1 1 A 64 64 LEU CA C 64 52.988 53.236 -0.248 1
1 674 . 2 1 1 A 64 64 LEU CB C 64 42.785 46.318 -3.533 1
1 678 . 2 1 1 A 64 64 LEU N N 64 124.823 120.734 4.089 1
1 679 . 2 1 1 A 65 65 GLY H H 65 7.516 8.208 -0.692 1
1 680 . 2 1 1 A 65 65 GLY HA2 H 65 4.505 4.014 0.491 1
1 681 . 2 1 1 A 65 65 GLY HA3 H 65 3.237 4.056 -0.819 1
1 682 . 2 1 1 A 65 65 GLY C C 65 170.608 172.247 -1.639 1
1 683 . 2 1 1 A 65 65 GLY CA C 65 44.505 44.504 0.001 1
1 684 . 2 1 1 A 65 65 GLY N N 65 106.855 108.306 -1.451 1
1 685 . 2 1 1 A 66 66 PRO HA H 66 4.626 4.824 -0.198 1
1 692 . 2 1 1 A 66 66 PRO C C 66 176.262 176.271 -0.009 1
1 693 . 2 1 1 A 66 66 PRO CA C 66 62.542 62.852 -0.310 1
1 694 . 2 1 1 A 66 66 PRO CB C 66 34.107 32.261 1.846 1
1 697 . 2 1 1 A 67 67 LEU H H 67 8.487 8.660 -0.173 1
1 698 . 2 1 1 A 67 67 LEU HA H 67 4.586 4.843 -0.257 1
1 708 . 2 1 1 A 67 67 LEU C C 67 176.158 175.861 0.297 1
1 709 . 2 1 1 A 67 67 LEU CA C 67 52.335 53.083 -0.748 1
1 710 . 2 1 1 A 67 67 LEU CB C 67 43.440 43.339 0.101 1
1 714 . 2 1 1 A 67 67 LEU N N 67 124.582 122.486 2.096 1
1 715 . 2 1 1 A 68 68 SER H H 68 8.958 8.842 0.116 1
1 716 . 2 1 1 A 68 68 SER HA H 68 4.529 4.681 -0.152 1
1 719 . 2 1 1 A 68 68 SER C C 68 174.360 173.601 0.759 1
1 720 . 2 1 1 A 68 68 SER CA C 68 58.649 56.522 2.127 1
1 721 . 2 1 1 A 68 68 SER CB C 68 64.239 65.318 -1.079 1
1 722 . 2 1 1 A 68 68 SER N N 68 117.670 117.590 0.080 1
1 723 . 2 1 1 A 69 69 SER H H 69 8.511 8.752 -0.241 1
1 724 . 2 1 1 A 69 69 SER HA H 69 5.085 5.249 -0.164 1
1 727 . 2 1 1 A 69 69 SER C C 69 175.660 174.024 1.636 1
1 728 . 2 1 1 A 69 69 SER CA C 69 59.071 56.304 2.767 1
1 729 . 2 1 1 A 69 69 SER CB C 69 64.439 65.894 -1.455 1
1 730 . 2 1 1 A 69 69 SER N N 69 119.760 117.820 1.940 1
1 731 . 2 1 1 A 70 70 SER H H 70 7.974 8.757 -0.783 1
1 732 . 2 1 1 A 70 70 SER HA H 70 3.799 4.123 -0.324 1
1 735 . 2 1 1 A 70 70 SER C C 70 173.645 173.004 0.641 1
1 736 . 2 1 1 A 70 70 SER CA C 70 58.453 59.209 -0.756 1
1 737 . 2 1 1 A 70 70 SER CB C 70 62.477 62.334 0.143 1
1 738 . 2 1 1 A 70 70 SER N N 70 121.170 116.536 4.634 1
1 739 . 2 1 1 A 71 71 THR H H 71 8.325 7.567 0.758 1
1 740 . 2 1 1 A 71 71 THR HA H 71 4.482 4.682 -0.200 1
1 745 . 2 1 1 A 71 71 THR C C 71 171.950 173.411 -1.461 1
1 746 . 2 1 1 A 71 71 THR CA C 71 62.453 61.629 0.824 1
1 747 . 2 1 1 A 71 71 THR CB C 71 72.120 71.207 0.913 1
1 749 . 2 1 1 A 71 71 THR N N 71 115.265 114.941 0.324 1
1 750 . 2 1 1 A 72 72 THR H H 72 8.963 8.825 0.138 1
1 751 . 2 1 1 A 72 72 THR HA H 72 5.044 4.582 0.462 1
1 756 . 2 1 1 A 72 72 THR C C 72 173.198 173.909 -0.711 1
1 757 . 2 1 1 A 72 72 THR CA C 72 62.216 62.911 -0.695 1
1 758 . 2 1 1 A 72 72 THR CB C 72 69.392 69.013 0.379 1
1 760 . 2 1 1 A 72 72 THR N N 72 124.221 122.228 1.993 1
1 761 . 2 1 1 A 73 73 TYR H H 73 9.711 8.796 0.915 1
1 762 . 2 1 1 A 73 73 TYR HA H 73 4.852 5.548 -0.696 1
1 767 . 2 1 1 A 73 73 TYR C C 73 175.854 175.328 0.526 1
1 768 . 2 1 1 A 73 73 TYR CA C 73 57.596 56.828 0.768 1
1 769 . 2 1 1 A 73 73 TYR CB C 73 41.377 40.064 1.313 1
1 774 . 2 1 1 A 73 73 TYR N N 73 126.553 126.790 -0.237 1
1 775 . 2 1 1 A 74 74 THR H H 74 8.981 9.312 -0.331 1
1 776 . 2 1 1 A 74 74 THR HA H 74 4.648 4.588 0.060 1
1 781 . 2 1 1 A 74 74 THR C C 74 174.296 174.533 -0.237 1
1 782 . 2 1 1 A 74 74 THR CA C 74 63.156 62.783 0.373 1
1 783 . 2 1 1 A 74 74 THR CB C 74 68.916 68.725 0.191 1
1 785 . 2 1 1 A 74 74 THR N N 74 118.190 119.749 -1.559 1
1 786 . 2 1 1 A 75 75 VAL H H 75 9.376 9.230 0.146 1
1 787 . 2 1 1 A 75 75 VAL HA H 75 4.951 4.679 0.272 1
1 795 . 2 1 1 A 75 75 VAL C C 75 173.554 175.330 -1.776 1
1 796 . 2 1 1 A 75 75 VAL CA C 75 61.004 62.157 -1.153 1
1 797 . 2 1 1 A 75 75 VAL CB C 75 34.541 32.586 1.955 1
1 800 . 2 1 1 A 75 75 VAL N N 75 130.973 128.715 2.258 1
1 801 . 2 1 1 A 76 76 ARG H H 76 9.023 9.100 -0.077 1
1 802 . 2 1 1 A 76 76 ARG HA H 76 5.218 4.973 0.245 1
1 809 . 2 1 1 A 76 76 ARG C C 76 175.034 174.465 0.569 1
1 810 . 2 1 1 A 76 76 ARG CA C 76 54.501 55.048 -0.547 1
1 811 . 2 1 1 A 76 76 ARG CB C 76 32.621 33.443 -0.822 1
1 814 . 2 1 1 A 76 76 ARG N N 76 126.030 126.326 -0.296 1
1 815 . 2 1 1 A 77 77 VAL H H 77 9.155 9.070 0.085 1
1 816 . 2 1 1 A 77 77 VAL HA H 77 4.165 4.309 -0.144 1
1 824 . 2 1 1 A 77 77 VAL C C 77 174.967 175.141 -0.174 1
1 825 . 2 1 1 A 77 77 VAL CA C 77 61.626 62.135 -0.509 1
1 826 . 2 1 1 A 77 77 VAL CB C 77 33.367 30.909 2.458 1
1 829 . 2 1 1 A 77 77 VAL N N 77 125.903 127.002 -1.099 1
1 830 . 2 1 1 A 78 78 THR H H 78 9.313 8.942 0.371 1
1 831 . 2 1 1 A 78 78 THR HA H 78 5.121 4.694 0.427 1
1 836 . 2 1 1 A 78 78 THR C C 78 173.388 173.962 -0.574 1
1 837 . 2 1 1 A 78 78 THR CA C 78 61.286 62.119 -0.833 1
1 838 . 2 1 1 A 78 78 THR CB C 78 70.432 69.425 1.007 1
1 840 . 2 1 1 A 78 78 THR N N 78 126.547 123.635 2.912 1
1 841 . 2 1 1 A 79 79 CYS H H 79 8.807 8.205 0.602 1
1 842 . 2 1 1 A 79 79 CYS HA H 79 4.410 4.745 -0.335 1
1 845 . 2 1 1 A 79 79 CYS C C 79 172.501 173.382 -0.881 1
1 846 . 2 1 1 A 79 79 CYS CA C 79 58.141 56.981 1.160 1
1 847 . 2 1 1 A 79 79 CYS CB C 79 28.102 27.865 0.237 1
1 848 . 2 1 1 A 79 79 CYS N N 79 125.160 125.776 -0.616 1
1 849 . 2 1 1 A 80 80 LEU H H 80 8.417 8.398 0.019 1
1 850 . 2 1 1 A 80 80 LEU HA H 80 4.377 4.557 -0.180 1
1 860 . 2 1 1 A 80 80 LEU C C 80 175.846 175.820 0.026 1
1 861 . 2 1 1 A 80 80 LEU CA C 80 54.400 53.494 0.906 1
1 862 . 2 1 1 A 80 80 LEU CB C 80 41.520 41.565 -0.045 1
1 866 . 2 1 1 A 80 80 LEU N N 80 123.584 126.532 -2.948 1
1 867 . 2 1 1 A 81 81 TYR H H 81 8.090 8.493 -0.403 1
1 868 . 2 1 1 A 81 81 TYR HA H 81 5.085 4.596 0.489 1
1 875 . 2 1 1 A 81 81 TYR C C 81 175.341 176.263 -0.922 1
1 876 . 2 1 1 A 81 81 TYR CA C 81 55.561 57.377 -1.816 1
1 877 . 2 1 1 A 81 81 TYR CB C 81 36.792 38.591 -1.799 1
1 882 . 2 1 1 A 81 81 TYR N N 81 123.717 125.102 -1.385 1
1 883 . 2 1 1 A 82 82 PRO HA H 82 4.358 4.472 -0.114 1
1 890 . 2 1 1 A 82 82 PRO CA C 82 64.469 64.339 0.130 1
1 891 . 2 1 1 A 82 82 PRO CB C 82 31.395 31.801 -0.406 1
1 894 . 2 1 1 A 83 83 GLY HA2 H 83 4.164 3.775 0.389 1
1 895 . 2 1 1 A 83 83 GLY HA3 H 83 3.880 3.776 0.104 1
1 896 . 2 1 1 A 83 83 GLY C C 83 174.832 175.878 -1.046 1
1 897 . 2 1 1 A 83 83 GLY CA C 83 45.437 46.974 -1.537 1
1 898 . 2 1 1 A 84 84 GLY H H 84 7.641 7.802 -0.161 1
1 899 . 2 1 1 A 84 84 GLY HA2 H 84 4.581 4.105 0.476 1
1 900 . 2 1 1 A 84 84 GLY HA3 H 84 3.788 4.110 -0.322 1
1 901 . 2 1 1 A 84 84 GLY C C 84 174.354 174.743 -0.389 1
1 902 . 2 1 1 A 84 84 GLY CA C 84 44.801 45.902 -1.101 1
1 903 . 2 1 1 A 84 84 GLY N N 84 107.816 106.778 1.038 1
1 904 . 2 1 1 A 85 85 GLY H H 85 8.303 7.819 0.484 1
1 905 . 2 1 1 A 85 85 GLY HA2 H 85 4.322 4.121 0.201 1
1 906 . 2 1 1 A 85 85 GLY HA3 H 85 4.113 4.148 -0.035 1
1 907 . 2 1 1 A 85 85 GLY C C 85 172.757 173.240 -0.483 1
1 908 . 2 1 1 A 85 85 GLY CA C 85 44.602 44.701 -0.099 1
1 909 . 2 1 1 A 85 85 GLY N N 85 108.998 108.479 0.519 1
1 910 . 2 1 1 A 86 86 SER H H 86 8.361 8.626 -0.265 1
1 911 . 2 1 1 A 86 86 SER HA H 86 5.024 5.125 -0.101 1
1 914 . 2 1 1 A 86 86 SER C C 86 173.484 172.241 1.243 1
1 915 . 2 1 1 A 86 86 SER CA C 86 57.738 57.488 0.250 1
1 916 . 2 1 1 A 86 86 SER CB C 86 66.693 66.035 0.658 1
1 917 . 2 1 1 A 86 86 SER N N 86 111.910 113.969 -2.059 1
1 918 . 2 1 1 A 87 87 SER H H 87 8.105 8.297 -0.192 1
1 919 . 2 1 1 A 87 87 SER HA H 87 4.827 5.412 -0.585 1
1 922 . 2 1 1 A 87 87 SER C C 87 173.377 172.591 0.786 1
1 923 . 2 1 1 A 87 87 SER CA C 87 57.737 55.655 2.082 1
1 924 . 2 1 1 A 87 87 SER CB C 87 65.849 66.023 -0.174 1
1 925 . 2 1 1 A 87 87 SER N N 87 112.598 117.514 -4.916 1
1 926 . 2 1 1 A 88 88 THR H H 88 8.778 8.611 0.167 1
1 927 . 2 1 1 A 88 88 THR HA H 88 5.439 4.878 0.561 1
1 932 . 2 1 1 A 88 88 THR C C 88 173.289 173.270 0.019 1
1 933 . 2 1 1 A 88 88 THR CA C 88 62.083 61.245 0.838 1
1 934 . 2 1 1 A 88 88 THR CB C 88 72.001 72.065 -0.064 1
1 936 . 2 1 1 A 88 88 THR N N 88 120.383 116.952 3.431 1
1 937 . 2 1 1 A 89 89 LEU H H 89 8.832 8.833 -0.001 1
1 938 . 2 1 1 A 89 89 LEU HA H 89 4.766 4.866 -0.100 1
1 948 . 2 1 1 A 89 89 LEU C C 89 175.440 175.896 -0.456 1
1 949 . 2 1 1 A 89 89 LEU CA C 89 53.671 53.732 -0.061 1
1 950 . 2 1 1 A 89 89 LEU CB C 89 45.972 43.554 2.418 1
1 954 . 2 1 1 A 89 89 LEU N N 89 128.653 125.922 2.731 1
1 955 . 2 1 1 A 90 90 THR H H 90 8.576 8.829 -0.253 1
1 956 . 2 1 1 A 90 90 THR HA H 90 5.622 5.218 0.404 1
1 961 . 2 1 1 A 90 90 THR C C 90 174.307 174.332 -0.025 1
1 962 . 2 1 1 A 90 90 THR CA C 90 60.799 60.456 0.343 1
1 963 . 2 1 1 A 90 90 THR CB C 90 71.589 70.395 1.194 1
1 965 . 2 1 1 A 90 90 THR N N 90 115.259 116.859 -1.600 1
1 966 . 2 1 1 A 91 91 GLY H H 91 9.071 8.638 0.433 1
1 967 . 2 1 1 A 91 91 GLY HA2 H 91 4.605 4.384 0.221 1
1 968 . 2 1 1 A 91 91 GLY HA3 H 91 3.960 4.458 -0.498 1
1 969 . 2 1 1 A 91 91 GLY C C 91 170.717 171.847 -1.130 1
1 970 . 2 1 1 A 91 91 GLY CA C 91 45.314 45.650 -0.336 1
1 971 . 2 1 1 A 91 91 GLY N N 91 112.300 108.982 3.318 1
1 972 . 2 1 1 A 92 92 ARG H H 92 8.558 8.810 -0.252 1
1 973 . 2 1 1 A 92 92 ARG HA H 92 5.594 4.992 0.602 1
1 980 . 2 1 1 A 92 92 ARG C C 92 173.260 174.559 -1.299 1
1 981 . 2 1 1 A 92 92 ARG CA C 92 54.806 55.583 -0.777 1
1 982 . 2 1 1 A 92 92 ARG CB C 92 34.464 32.269 2.195 1
1 985 . 2 1 1 A 92 92 ARG N N 92 119.774 124.129 -4.355 1
1 986 . 2 1 1 A 93 93 VAL H H 93 8.430 8.492 -0.062 1
1 987 . 2 1 1 A 93 93 VAL HA H 93 4.081 4.210 -0.129 1
1 995 . 2 1 1 A 93 93 VAL C C 93 171.210 173.879 -2.669 1
1 996 . 2 1 1 A 93 93 VAL CA C 93 58.915 59.857 -0.942 1
1 997 . 2 1 1 A 93 93 VAL CB C 93 33.683 33.690 -0.007 1
1 1000 . 2 1 1 A 93 93 VAL N N 93 120.381 120.094 0.287 1
1 1001 . 2 1 1 A 94 94 THR H H 94 8.129 8.697 -0.568 1
1 1002 . 2 1 1 A 94 94 THR HA H 94 5.342 4.505 0.837 1
1 1007 . 2 1 1 A 94 94 THR C C 94 174.637 174.436 0.201 1
1 1008 . 2 1 1 A 94 94 THR CA C 94 60.799 62.645 -1.846 1
1 1009 . 2 1 1 A 94 94 THR CB C 94 70.768 69.098 1.670 1
1 1011 . 2 1 1 A 94 94 THR N N 94 124.645 125.335 -0.690 1
1 1012 . 2 1 1 A 95 95 THR H H 95 8.906 8.350 0.556 1
1 1013 . 2 1 1 A 95 95 THR HA H 95 4.115 4.319 -0.204 1
1 1018 . 2 1 1 A 95 95 THR C C 95 175.367 174.440 0.927 1
1 1019 . 2 1 1 A 95 95 THR CA C 95 60.909 62.137 -1.228 1
1 1020 . 2 1 1 A 95 95 THR CB C 95 70.346 69.904 0.442 1
1 1022 . 2 1 1 A 95 95 THR N N 95 116.835 120.591 -3.756 1
1 1023 . 2 1 1 A 96 96 LYS H H 96 7.372 8.356 -0.984 1
1 1024 . 2 1 1 A 96 96 LYS HA H 96 4.189 4.345 -0.156 1
1 1033 . 2 1 1 A 96 96 LYS C C 96 176.308 177.234 -0.926 1
1 1034 . 2 1 1 A 96 96 LYS CA C 96 55.207 56.466 -1.259 1
1 1035 . 2 1 1 A 96 96 LYS CB C 96 34.095 33.309 0.786 1
1 1039 . 2 1 1 A 96 96 LYS N N 96 116.829 122.914 -6.085 1
1 1040 . 2 1 1 A 97 97 LYS H H 97 8.113 8.636 -0.523 1
1 1041 . 2 1 1 A 97 97 LYS HA H 97 4.356 4.367 -0.011 1
1 1050 . 2 1 1 A 97 97 LYS C C 97 176.106 176.552 -0.446 1
1 1051 . 2 1 1 A 97 97 LYS CA C 97 56.260 56.346 -0.086 1
1 1052 . 2 1 1 A 97 97 LYS CB C 97 33.140 33.036 0.104 1
1 1056 . 2 1 1 A 97 97 LYS N N 97 119.233 121.682 -2.449 1
1 1057 . 2 1 1 A 98 98 ALA H H 98 8.484 8.640 -0.156 1
1 1058 . 2 1 1 A 98 98 ALA HA H 98 4.054 4.257 -0.203 1
1 1062 . 2 1 1 A 98 98 ALA C C 98 175.754 175.754 0.000 1
1 1063 . 2 1 1 A 98 98 ALA CA C 98 50.511 50.080 0.431 1
1 1064 . 2 1 1 A 98 98 ALA CB C 98 17.093 19.393 -2.300 1
1 1065 . 2 1 1 A 98 98 ALA N N 98 126.424 126.058 0.366 1
1 1066 . 2 1 1 A 99 99 PRO HA H 99 4.313 4.502 -0.189 1
1 1073 . 2 1 1 A 99 99 PRO C C 99 176.506 175.367 1.139 1
1 1074 . 2 1 1 A 99 99 PRO CA C 99 62.584 62.216 0.368 1
1 1075 . 2 1 1 A 99 99 PRO CB C 99 32.024 32.846 -0.822 1
1 1078 . 2 1 1 A 100 100 SER H H 100 8.377 8.510 -0.133 1
1 1079 . 2 1 1 A 100 100 SER HA H 100 4.688 4.888 -0.200 1
1 1082 . 2 1 1 A 100 100 SER CA C 100 56.296 55.008 1.288 1
1 1083 . 2 1 1 A 100 100 SER CB C 100 63.276 66.374 -3.098 1
1 1084 . 2 1 1 A 100 100 SER N N 100 117.700 116.038 1.662 1
1 1086 . 2 1 1 A 103 103 SER HA H 103 4.507 4.178 0.329 1
1 1089 . 2 1 1 A 103 103 SER CA C 103 58.198 61.709 -3.511 1
1 1090 . 2 1 1 A 103 103 SER CB C 103 63.882 62.810 1.072 1
1 1091 . 2 1 1 A 104 104 GLY H H 104 8.233 7.840 0.393 1
1 1092 . 2 1 1 A 104 104 GLY HA2 H 104 4.124 4.044 0.080 1
1 1093 . 2 1 1 A 104 104 GLY HA3 H 104 4.124 4.044 0.080 1
1 1094 . 2 1 1 A 104 104 GLY CA C 104 44.608 45.118 -0.510 1
1 1095 . 2 1 1 A 104 104 GLY N N 104 110.600 108.842 1.758 1
1 1096 . 2 1 1 A 105 105 PRO HA H 105 4.460 4.679 -0.219 1
1 1103 . 2 1 1 A 105 105 PRO CA C 105 63.264 62.516 0.748 1
1 1104 . 2 1 1 A 105 105 PRO CB C 105 32.094 31.493 0.601 1
1 1 . 3 1 1 A 6 6 SER HA H 6 4.470 4.790 -0.320 1
1 3 . 3 1 1 A 6 6 SER C C 6 175.031 172.626 2.405 1
1 4 . 3 1 1 A 6 6 SER CA C 6 58.687 57.256 1.431 1
1 5 . 3 1 1 A 6 6 SER CB C 6 63.635 63.443 0.192 1
1 6 . 3 1 1 A 7 7 GLY H H 7 8.390 7.944 0.446 1
1 7 . 3 1 1 A 7 7 GLY HA2 H 7 3.941 4.203 -0.262 1
1 8 . 3 1 1 A 7 7 GLY HA3 H 7 3.941 4.203 -0.262 1
1 9 . 3 1 1 A 7 7 GLY C C 7 173.892 172.486 1.406 1
1 10 . 3 1 1 A 7 7 GLY CA C 7 45.348 44.955 0.393 1
1 11 . 3 1 1 A 7 7 GLY N N 7 110.659 108.944 1.715 1
1 12 . 3 1 1 A 8 8 LEU H H 8 8.017 8.807 -0.790 1
1 13 . 3 1 1 A 8 8 LEU HA H 8 4.347 4.845 -0.498 1
1 23 . 3 1 1 A 8 8 LEU C C 8 176.816 174.705 2.111 1
1 24 . 3 1 1 A 8 8 LEU CA C 8 54.760 53.726 1.034 1
1 25 . 3 1 1 A 8 8 LEU CB C 8 42.565 45.029 -2.464 1
1 29 . 3 1 1 A 8 8 LEU N N 8 121.546 122.849 -1.303 1
1 30 . 3 1 1 A 9 9 ALA H H 9 8.291 8.554 -0.263 1
1 31 . 3 1 1 A 9 9 ALA HA H 9 4.589 4.557 0.032 1
1 35 . 3 1 1 A 9 9 ALA C C 9 174.928 175.730 -0.802 1
1 36 . 3 1 1 A 9 9 ALA CA C 9 50.381 50.748 -0.367 1
1 37 . 3 1 1 A 9 9 ALA CB C 9 18.293 18.028 0.265 1
1 38 . 3 1 1 A 9 9 ALA N N 9 126.618 122.836 3.782 1
1 39 . 3 1 1 A 10 10 PRO HA H 10 4.708 4.670 0.038 1
1 45 . 3 1 1 A 10 10 PRO CA C 10 61.347 61.831 -0.484 1
1 46 . 3 1 1 A 10 10 PRO CB C 10 30.783 32.400 -1.617 1
1 49 . 3 1 1 A 11 11 PRO HA H 11 4.442 4.394 0.048 1
1 56 . 3 1 1 A 11 11 PRO C C 11 176.585 176.604 -0.019 1
1 57 . 3 1 1 A 11 11 PRO CA C 11 63.016 65.004 -1.988 1
1 58 . 3 1 1 A 11 11 PRO CB C 11 32.096 32.258 -0.162 1
1 61 . 3 1 1 A 12 12 ARG H H 12 8.348 7.695 0.653 1
1 62 . 3 1 1 A 12 12 ARG HA H 12 4.405 5.028 -0.623 1
1 69 . 3 1 1 A 12 12 ARG C C 12 175.204 174.731 0.473 1
1 70 . 3 1 1 A 12 12 ARG CA C 12 55.797 54.196 1.601 1
1 71 . 3 1 1 A 12 12 ARG CB C 12 32.052 35.058 -3.006 1
1 74 . 3 1 1 A 12 12 ARG N N 12 120.519 117.696 2.823 1
1 75 . 3 1 1 A 13 13 HIS H H 13 8.296 8.740 -0.444 1
1 76 . 3 1 1 A 13 13 HIS HA H 13 4.815 4.999 -0.184 1
1 81 . 3 1 1 A 13 13 HIS C C 13 174.544 174.838 -0.294 1
1 82 . 3 1 1 A 13 13 HIS CA C 13 55.783 55.685 0.098 1
1 83 . 3 1 1 A 13 13 HIS CB C 13 32.469 31.479 0.990 1
1 86 . 3 1 1 A 13 13 HIS N N 13 118.569 117.241 1.328 1
1 87 . 3 1 1 A 14 14 LEU H H 14 8.209 8.524 -0.315 1
1 88 . 3 1 1 A 14 14 LEU HA H 14 4.655 4.825 -0.170 1
1 98 . 3 1 1 A 14 14 LEU C C 14 175.977 175.676 0.301 1
1 99 . 3 1 1 A 14 14 LEU CA C 14 53.935 53.839 0.096 1
1 100 . 3 1 1 A 14 14 LEU CB C 14 44.113 43.640 0.473 1
1 104 . 3 1 1 A 14 14 LEU N N 14 120.625 122.976 -2.351 1
1 105 . 3 1 1 A 15 15 GLY H H 15 7.988 7.726 0.262 1
1 106 . 3 1 1 A 15 15 GLY HA2 H 15 4.008 3.381 0.627 1
1 107 . 3 1 1 A 15 15 GLY HA3 H 15 2.486 3.944 -1.458 1
1 108 . 3 1 1 A 15 15 GLY C C 15 170.056 171.019 -0.963 1
1 109 . 3 1 1 A 15 15 GLY CA C 15 43.188 43.895 -0.707 1
1 110 . 3 1 1 A 15 15 GLY N N 15 111.142 108.762 2.380 1
1 111 . 3 1 1 A 16 16 PHE H H 16 8.078 8.828 -0.750 1
1 112 . 3 1 1 A 16 16 PHE HA H 16 5.830 5.285 0.545 1
1 120 . 3 1 1 A 16 16 PHE C C 16 175.968 174.319 1.649 1
1 121 . 3 1 1 A 16 16 PHE CA C 16 56.048 56.628 -0.580 1
1 122 . 3 1 1 A 16 16 PHE CB C 16 43.353 40.325 3.028 1
1 128 . 3 1 1 A 16 16 PHE N N 16 114.388 124.071 -9.683 1
1 129 . 3 1 1 A 17 17 SER H H 17 9.811 9.002 0.809 1
1 130 . 3 1 1 A 17 17 SER HA H 17 4.883 5.092 -0.209 1
1 133 . 3 1 1 A 17 17 SER C C 17 171.638 173.079 -1.441 1
1 134 . 3 1 1 A 17 17 SER CA C 17 57.073 56.146 0.927 1
1 135 . 3 1 1 A 17 17 SER CB C 17 66.893 66.497 0.396 1
1 136 . 3 1 1 A 17 17 SER N N 17 118.688 119.026 -0.338 1
1 137 . 3 1 1 A 18 18 ASP H H 18 9.001 8.785 0.216 1
1 138 . 3 1 1 A 18 18 ASP HA H 18 4.171 4.124 0.047 1
1 141 . 3 1 1 A 18 18 ASP C C 18 174.520 175.491 -0.971 1
1 142 . 3 1 1 A 18 18 ASP CA C 18 55.333 55.071 0.262 1
1 143 . 3 1 1 A 18 18 ASP CB C 18 40.075 39.272 0.803 1
1 144 . 3 1 1 A 18 18 ASP N N 18 116.878 121.846 -4.968 1
1 145 . 3 1 1 A 19 19 VAL H H 19 8.202 7.993 0.209 1
1 146 . 3 1 1 A 19 19 VAL HA H 19 4.169 4.190 -0.021 1
1 154 . 3 1 1 A 19 19 VAL C C 19 176.641 174.899 1.742 1
1 155 . 3 1 1 A 19 19 VAL CA C 19 63.962 62.995 0.967 1
1 156 . 3 1 1 A 19 19 VAL CB C 19 31.236 31.546 -0.310 1
1 159 . 3 1 1 A 19 19 VAL N N 19 117.253 119.942 -2.689 1
1 160 . 3 1 1 A 20 20 SER H H 20 9.066 8.693 0.373 1
1 161 . 3 1 1 A 20 20 SER HA H 20 5.061 4.725 0.336 1
1 164 . 3 1 1 A 20 20 SER C C 20 174.081 175.572 -1.491 1
1 165 . 3 1 1 A 20 20 SER CA C 20 55.582 55.584 -0.002 1
1 166 . 3 1 1 A 20 20 SER CB C 20 65.090 65.653 -0.563 1
1 167 . 3 1 1 A 20 20 SER N N 20 126.686 121.908 4.778 1
1 168 . 3 1 1 A 21 21 HIS H H 21 8.635 8.388 0.247 1
1 169 . 3 1 1 A 21 21 HIS HA H 21 4.895 4.806 0.089 1
1 174 . 3 1 1 A 21 21 HIS C C 21 175.242 175.456 -0.214 1
1 175 . 3 1 1 A 21 21 HIS CA C 21 56.934 56.511 0.423 1
1 176 . 3 1 1 A 21 21 HIS CB C 21 30.651 30.094 0.557 1
1 179 . 3 1 1 A 21 21 HIS N N 21 117.241 120.898 -3.657 1
1 180 . 3 1 1 A 22 22 ASP H H 22 7.400 7.779 -0.379 1
1 181 . 3 1 1 A 22 22 ASP HA H 22 4.803 5.082 -0.279 1
1 184 . 3 1 1 A 22 22 ASP C C 22 176.754 175.090 1.664 1
1 185 . 3 1 1 A 22 22 ASP CA C 22 52.316 53.191 -0.875 1
1 186 . 3 1 1 A 22 22 ASP CB C 22 41.697 41.822 -0.125 1
1 187 . 3 1 1 A 22 22 ASP N N 22 115.766 115.884 -0.118 1
1 188 . 3 1 1 A 23 23 ALA H H 23 7.379 7.468 -0.089 1
1 189 . 3 1 1 A 23 23 ALA HA H 23 4.753 4.574 0.179 1
1 193 . 3 1 1 A 23 23 ALA C C 23 174.757 175.015 -0.258 1
1 194 . 3 1 1 A 23 23 ALA CA C 23 51.613 51.618 -0.005 1
1 195 . 3 1 1 A 23 23 ALA CB C 23 22.882 22.380 0.502 1
1 196 . 3 1 1 A 23 23 ALA N N 23 122.521 119.345 3.176 1
1 197 . 3 1 1 A 24 24 ALA H H 24 7.745 8.131 -0.386 1
1 198 . 3 1 1 A 24 24 ALA HA H 24 4.593 4.878 -0.285 1
1 202 . 3 1 1 A 24 24 ALA C C 24 173.662 175.114 -1.452 1
1 203 . 3 1 1 A 24 24 ALA CA C 24 52.233 51.603 0.630 1
1 204 . 3 1 1 A 24 24 ALA CB C 24 22.894 22.700 0.194 1
1 205 . 3 1 1 A 24 24 ALA N N 24 115.485 120.345 -4.860 1
1 206 . 3 1 1 A 25 25 ARG H H 25 8.690 8.766 -0.076 1
1 207 . 3 1 1 A 25 25 ARG HA H 25 5.209 4.884 0.325 1
1 214 . 3 1 1 A 25 25 ARG C C 25 174.777 174.703 0.074 1
1 215 . 3 1 1 A 25 25 ARG CA C 25 55.161 55.357 -0.196 1
1 216 . 3 1 1 A 25 25 ARG CB C 25 32.329 31.602 0.727 1
1 219 . 3 1 1 A 25 25 ARG N N 25 122.853 123.775 -0.922 1
1 220 . 3 1 1 A 26 26 VAL H H 26 8.865 9.141 -0.276 1
1 221 . 3 1 1 A 26 26 VAL HA H 26 5.120 4.818 0.302 1
1 229 . 3 1 1 A 26 26 VAL C C 26 172.428 175.244 -2.816 1
1 230 . 3 1 1 A 26 26 VAL CA C 26 57.420 60.226 -2.806 1
1 231 . 3 1 1 A 26 26 VAL CB C 26 34.734 34.425 0.309 1
1 234 . 3 1 1 A 26 26 VAL N N 26 125.534 127.497 -1.963 1
1 235 . 3 1 1 A 27 27 PHE H H 27 8.520 8.680 -0.160 1
1 236 . 3 1 1 A 27 27 PHE HA H 27 5.039 5.269 -0.230 1
1 244 . 3 1 1 A 27 27 PHE C C 27 172.979 172.720 0.259 1
1 245 . 3 1 1 A 27 27 PHE CA C 27 56.293 55.156 1.137 1
1 246 . 3 1 1 A 27 27 PHE CB C 27 42.190 42.168 0.022 1
1 252 . 3 1 1 A 27 27 PHE N N 27 123.552 123.130 0.422 1
1 253 . 3 1 1 A 28 28 TRP H H 28 7.813 8.104 -0.291 1
1 254 . 3 1 1 A 28 28 TRP HA H 28 5.058 5.556 -0.498 1
1 263 . 3 1 1 A 28 28 TRP C C 28 174.131 175.945 -1.814 1
1 264 . 3 1 1 A 28 28 TRP CA C 28 55.730 54.693 1.037 1
1 265 . 3 1 1 A 28 28 TRP CB C 28 30.997 32.192 -1.195 1
1 271 . 3 1 1 A 28 28 TRP N N 28 116.968 118.634 -1.666 1
1 273 . 3 1 1 A 29 29 GLU H H 29 8.362 9.095 -0.733 1
1 274 . 3 1 1 A 29 29 GLU HA H 29 4.356 4.469 -0.113 1
1 279 . 3 1 1 A 29 29 GLU C C 29 177.125 176.832 0.293 1
1 280 . 3 1 1 A 29 29 GLU CA C 29 55.820 56.357 -0.537 1
1 281 . 3 1 1 A 29 29 GLU CB C 29 31.085 29.924 1.161 1
1 283 . 3 1 1 A 29 29 GLU N N 29 119.239 118.416 0.823 1
1 284 . 3 1 1 A 30 30 GLY H H 30 8.729 8.193 0.536 1
1 285 . 3 1 1 A 30 30 GLY HA2 H 30 4.051 4.208 -0.157 1
1 286 . 3 1 1 A 30 30 GLY HA3 H 30 3.781 4.419 -0.638 1
1 287 . 3 1 1 A 30 30 GLY C C 30 173.621 172.859 0.762 1
1 288 . 3 1 1 A 30 30 GLY CA C 30 45.559 44.811 0.748 1
1 289 . 3 1 1 A 30 30 GLY N N 30 110.979 107.652 3.327 1
1 290 . 3 1 1 A 31 31 ALA H H 31 8.747 8.011 0.736 1
1 291 . 3 1 1 A 31 31 ALA HA H 31 4.577 5.027 -0.450 1
1 295 . 3 1 1 A 31 31 ALA C C 31 177.064 177.384 -0.320 1
1 296 . 3 1 1 A 31 31 ALA CA C 31 50.416 50.063 0.353 1
1 297 . 3 1 1 A 31 31 ALA CB C 31 19.221 21.927 -2.706 1
1 298 . 3 1 1 A 31 31 ALA N N 31 126.357 121.327 5.030 1
1 299 . 3 1 1 A 32 32 PRO HA H 32 4.630 4.484 0.146 1
1 306 . 3 1 1 A 32 32 PRO C C 32 175.001 175.164 -0.163 1
1 307 . 3 1 1 A 32 32 PRO CA C 32 63.368 63.959 -0.591 1
1 308 . 3 1 1 A 32 32 PRO CB C 32 30.738 31.344 -0.606 1
1 311 . 3 1 1 A 33 33 ARG H H 33 7.418 7.466 -0.048 1
1 312 . 3 1 1 A 33 33 ARG HA H 33 4.746 4.807 -0.061 1
1 319 . 3 1 1 A 33 33 ARG C C 33 172.695 173.326 -0.631 1
1 320 . 3 1 1 A 33 33 ARG CA C 33 53.205 53.949 -0.744 1
1 321 . 3 1 1 A 33 33 ARG CB C 33 30.414 32.486 -2.072 1
1 324 . 3 1 1 A 33 33 ARG N N 33 117.994 113.941 4.053 1
1 325 . 3 1 1 A 34 34 PRO HA H 34 4.273 4.730 -0.457 1
1 332 . 3 1 1 A 34 34 PRO C C 34 175.342 176.168 -0.826 1
1 333 . 3 1 1 A 34 34 PRO CA C 34 64.037 62.588 1.449 1
1 334 . 3 1 1 A 34 34 PRO CB C 34 32.581 32.565 0.016 1
1 337 . 3 1 1 A 35 35 VAL H H 35 8.264 8.666 -0.402 1
1 338 . 3 1 1 A 35 35 VAL HA H 35 4.237 4.832 -0.595 1
1 346 . 3 1 1 A 35 35 VAL C C 35 175.771 176.184 -0.413 1
1 347 . 3 1 1 A 35 35 VAL CA C 35 61.890 60.656 1.234 1
1 348 . 3 1 1 A 35 35 VAL CB C 35 35.092 35.650 -0.558 1
1 351 . 3 1 1 A 35 35 VAL N N 35 122.377 122.189 0.188 1
1 352 . 3 1 1 A 36 36 ARG H H 36 9.278 8.446 0.832 1
1 353 . 3 1 1 A 36 36 ARG HA H 36 4.426 4.559 -0.133 1
1 360 . 3 1 1 A 36 36 ARG C C 36 175.620 176.083 -0.463 1
1 361 . 3 1 1 A 36 36 ARG CA C 36 57.672 56.984 0.688 1
1 362 . 3 1 1 A 36 36 ARG CB C 36 31.595 31.561 0.034 1
1 365 . 3 1 1 A 36 36 ARG N N 36 125.821 122.145 3.676 1
1 366 . 3 1 1 A 37 37 LEU H H 37 7.525 6.976 0.549 1
1 367 . 3 1 1 A 37 37 LEU HA H 37 4.403 4.622 -0.219 1
1 377 . 3 1 1 A 37 37 LEU C C 37 172.405 173.956 -1.551 1
1 378 . 3 1 1 A 37 37 LEU CA C 37 54.913 54.581 0.332 1
1 379 . 3 1 1 A 37 37 LEU CB C 37 46.166 45.599 0.567 1
1 383 . 3 1 1 A 37 37 LEU N N 37 119.761 119.354 0.407 1
1 384 . 3 1 1 A 38 38 VAL H H 38 8.513 8.930 -0.417 1
1 385 . 3 1 1 A 38 38 VAL HA H 38 4.790 4.890 -0.100 1
1 393 . 3 1 1 A 38 38 VAL C C 38 174.595 174.431 0.164 1
1 394 . 3 1 1 A 38 38 VAL CA C 38 60.992 60.832 0.160 1
1 395 . 3 1 1 A 38 38 VAL CB C 38 33.979 34.334 -0.355 1
1 398 . 3 1 1 A 38 38 VAL N N 38 123.604 126.167 -2.563 1
1 399 . 3 1 1 A 39 39 ARG H H 39 9.025 9.243 -0.218 1
1 400 . 3 1 1 A 39 39 ARG HA H 39 4.839 5.006 -0.167 1
1 407 . 3 1 1 A 39 39 ARG C C 39 174.581 174.697 -0.116 1
1 408 . 3 1 1 A 39 39 ARG CA C 39 55.150 54.713 0.437 1
1 409 . 3 1 1 A 39 39 ARG CB C 39 32.919 32.240 0.679 1
1 412 . 3 1 1 A 39 39 ARG N N 39 126.442 128.543 -2.101 1
1 413 . 3 1 1 A 40 40 VAL H H 40 9.059 8.678 0.381 1
1 414 . 3 1 1 A 40 40 VAL HA H 40 5.177 4.924 0.253 1
1 422 . 3 1 1 A 40 40 VAL C C 40 175.508 175.673 -0.165 1
1 423 . 3 1 1 A 40 40 VAL CA C 40 60.513 61.955 -1.442 1
1 424 . 3 1 1 A 40 40 VAL CB C 40 33.390 32.321 1.069 1
1 427 . 3 1 1 A 40 40 VAL N N 40 127.219 126.712 0.507 1
1 428 . 3 1 1 A 41 41 THR H H 41 9.244 9.287 -0.043 1
1 429 . 3 1 1 A 41 41 THR HA H 41 5.056 5.098 -0.042 1
1 434 . 3 1 1 A 41 41 THR C C 41 173.323 173.166 0.157 1
1 435 . 3 1 1 A 41 41 THR CA C 41 59.618 60.673 -1.055 1
1 436 . 3 1 1 A 41 41 THR CB C 41 71.668 71.224 0.444 1
1 438 . 3 1 1 A 41 41 THR N N 41 117.579 117.664 -0.085 1
1 439 . 3 1 1 A 42 42 TYR H H 42 7.955 8.331 -0.376 1
1 440 . 3 1 1 A 42 42 TYR HA H 42 5.825 6.093 -0.268 1
1 447 . 3 1 1 A 42 42 TYR C C 42 173.794 173.791 0.003 1
1 448 . 3 1 1 A 42 42 TYR CA C 42 54.314 55.176 -0.862 1
1 449 . 3 1 1 A 42 42 TYR CB C 42 39.788 42.571 -2.783 1
1 454 . 3 1 1 A 42 42 TYR N N 42 117.304 120.057 -2.753 1
1 455 . 3 1 1 A 43 43 VAL H H 43 8.547 8.840 -0.293 1
1 456 . 3 1 1 A 43 43 VAL HA H 43 5.069 4.527 0.542 1
1 464 . 3 1 1 A 43 43 VAL C C 43 174.912 173.612 1.300 1
1 465 . 3 1 1 A 43 43 VAL CA C 43 60.142 60.666 -0.524 1
1 466 . 3 1 1 A 43 43 VAL CB C 43 35.329 34.707 0.622 1
1 469 . 3 1 1 A 43 43 VAL N N 43 119.038 120.397 -1.359 1
1 470 . 3 1 1 A 44 44 SER H H 44 9.123 8.078 1.045 1
1 471 . 3 1 1 A 44 44 SER HA H 44 4.307 3.843 0.464 1
1 474 . 3 1 1 A 44 44 SER C C 44 176.777 175.058 1.719 1
1 475 . 3 1 1 A 44 44 SER CA C 44 57.838 57.936 -0.098 1
1 476 . 3 1 1 A 44 44 SER CB C 44 64.064 63.612 0.452 1
1 477 . 3 1 1 A 44 44 SER N N 44 124.942 122.089 2.853 1
1 478 . 3 1 1 A 45 45 SER H H 45 8.562 8.536 0.026 1
1 479 . 3 1 1 A 45 45 SER HA H 45 4.175 4.062 0.113 1
1 482 . 3 1 1 A 45 45 SER C C 45 175.366 176.541 -1.175 1
1 483 . 3 1 1 A 45 45 SER CA C 45 61.239 61.508 -0.269 1
1 484 . 3 1 1 A 45 45 SER CB C 45 62.976 62.989 -0.013 1
1 485 . 3 1 1 A 45 45 SER N N 45 119.157 120.984 -1.827 1
1 486 . 3 1 1 A 46 46 GLU H H 46 8.321 7.844 0.477 1
1 487 . 3 1 1 A 46 46 GLU HA H 46 4.442 4.031 0.411 1
1 492 . 3 1 1 A 46 46 GLU C C 46 177.463 177.242 0.221 1
1 493 . 3 1 1 A 46 46 GLU CA C 46 56.409 58.196 -1.787 1
1 494 . 3 1 1 A 46 46 GLU CB C 46 29.633 30.041 -0.408 1
1 496 . 3 1 1 A 46 46 GLU N N 46 119.112 117.928 1.184 1
1 497 . 3 1 1 A 47 47 GLY H H 47 8.129 7.693 0.436 1
1 498 . 3 1 1 A 47 47 GLY HA2 H 47 4.150 3.931 0.219 1
1 499 . 3 1 1 A 47 47 GLY HA3 H 47 3.646 3.943 -0.297 1
1 500 . 3 1 1 A 47 47 GLY C C 47 175.047 174.393 0.654 1
1 501 . 3 1 1 A 47 47 GLY CA C 47 45.400 46.473 -1.073 1
1 502 . 3 1 1 A 47 47 GLY N N 47 109.344 106.602 2.742 1
1 503 . 3 1 1 A 48 48 GLY H H 48 7.927 8.253 -0.326 1
1 504 . 3 1 1 A 48 48 GLY HA2 H 48 3.982 4.054 -0.072 1
1 505 . 3 1 1 A 48 48 GLY HA3 H 48 3.855 4.069 -0.214 1
1 506 . 3 1 1 A 48 48 GLY C C 48 173.614 173.708 -0.094 1
1 507 . 3 1 1 A 48 48 GLY CA C 48 46.073 45.842 0.231 1
1 508 . 3 1 1 A 48 48 GLY N N 48 107.840 107.456 0.384 1
1 509 . 3 1 1 A 49 49 HIS H H 49 7.985 7.928 0.057 1
1 510 . 3 1 1 A 49 49 HIS HA H 49 4.951 5.006 -0.055 1
1 515 . 3 1 1 A 49 49 HIS C C 49 173.760 173.324 0.436 1
1 516 . 3 1 1 A 49 49 HIS CA C 49 56.608 54.216 2.392 1
1 517 . 3 1 1 A 49 49 HIS CB C 49 33.119 31.831 1.288 1
1 520 . 3 1 1 A 49 49 HIS N N 49 120.577 121.101 -0.524 1
1 521 . 3 1 1 A 50 50 SER H H 50 8.118 8.789 -0.671 1
1 522 . 3 1 1 A 50 50 SER HA H 50 5.184 4.873 0.311 1
1 525 . 3 1 1 A 50 50 SER C C 50 172.582 173.688 -1.106 1
1 526 . 3 1 1 A 50 50 SER CA C 50 56.463 56.031 0.432 1
1 527 . 3 1 1 A 50 50 SER CB C 50 66.423 66.009 0.414 1
1 528 . 3 1 1 A 50 50 SER N N 50 120.879 120.246 0.633 1
1 529 . 3 1 1 A 51 51 GLY H H 51 7.900 7.784 0.116 1
1 530 . 3 1 1 A 51 51 GLY HA2 H 51 4.027 3.504 0.523 1
1 531 . 3 1 1 A 51 51 GLY HA3 H 51 3.236 4.157 -0.921 1
1 532 . 3 1 1 A 51 51 GLY C C 51 171.073 171.958 -0.885 1
1 533 . 3 1 1 A 51 51 GLY CA C 51 44.696 44.340 0.356 1
1 534 . 3 1 1 A 51 51 GLY N N 51 108.215 107.338 0.877 1
1 535 . 3 1 1 A 52 52 GLN H H 52 8.256 8.527 -0.271 1
1 536 . 3 1 1 A 52 52 GLN HA H 52 5.308 5.220 0.088 1
1 543 . 3 1 1 A 52 52 GLN C C 52 174.217 173.479 0.738 1
1 544 . 3 1 1 A 52 52 GLN CA C 52 54.516 55.560 -1.044 1
1 545 . 3 1 1 A 52 52 GLN CB C 52 32.541 32.163 0.378 1
1 547 . 3 1 1 A 52 52 GLN N N 52 115.667 118.876 -3.209 1
1 549 . 3 1 1 A 53 53 THR H H 53 9.298 8.975 0.323 1
1 550 . 3 1 1 A 53 53 THR HA H 53 4.753 5.233 -0.480 1
1 555 . 3 1 1 A 53 53 THR C C 53 171.720 172.440 -0.720 1
1 556 . 3 1 1 A 53 53 THR CA C 53 60.869 59.611 1.258 1
1 557 . 3 1 1 A 53 53 THR CB C 53 70.580 72.294 -1.714 1
1 559 . 3 1 1 A 53 53 THR N N 53 117.486 119.922 -2.436 1
1 560 . 3 1 1 A 54 54 GLU H H 54 8.404 8.709 -0.305 1
1 561 . 3 1 1 A 54 54 GLU HA H 54 5.378 5.112 0.266 1
1 566 . 3 1 1 A 54 54 GLU C C 54 174.705 175.607 -0.902 1
1 567 . 3 1 1 A 54 54 GLU CA C 54 54.693 54.903 -0.210 1
1 568 . 3 1 1 A 54 54 GLU CB C 54 33.434 32.420 1.014 1
1 570 . 3 1 1 A 54 54 GLU N N 54 123.651 125.564 -1.913 1
1 571 . 3 1 1 A 55 55 ALA H H 55 9.471 9.060 0.411 1
1 572 . 3 1 1 A 55 55 ALA HA H 55 5.056 5.085 -0.029 1
1 576 . 3 1 1 A 55 55 ALA C C 55 172.938 174.486 -1.548 1
1 577 . 3 1 1 A 55 55 ALA CA C 55 49.216 49.898 -0.682 1
1 578 . 3 1 1 A 55 55 ALA CB C 55 20.410 22.509 -2.099 1
1 579 . 3 1 1 A 55 55 ALA N N 55 126.815 125.180 1.635 1
1 580 . 3 1 1 A 56 56 PRO HA H 56 4.630 4.607 0.023 1
1 587 . 3 1 1 A 56 56 PRO C C 56 176.935 177.370 -0.435 1
1 588 . 3 1 1 A 56 56 PRO CA C 56 62.303 62.580 -0.277 1
1 589 . 3 1 1 A 56 56 PRO CB C 56 32.745 32.573 0.172 1
1 592 . 3 1 1 A 57 57 GLY H H 57 8.240 8.613 -0.373 1
1 593 . 3 1 1 A 57 57 GLY HA2 H 57 3.839 3.898 -0.059 1
1 594 . 3 1 1 A 57 57 GLY HA3 H 57 3.547 3.913 -0.366 1
1 595 . 3 1 1 A 57 57 GLY C C 57 173.839 174.505 -0.666 1
1 596 . 3 1 1 A 57 57 GLY CA C 57 47.092 46.513 0.579 1
1 597 . 3 1 1 A 57 57 GLY N N 57 104.338 109.130 -4.792 1
1 598 . 3 1 1 A 58 58 ASN H H 58 7.935 8.173 -0.238 1
1 599 . 3 1 1 A 58 58 ASN HA H 58 4.778 4.839 -0.061 1
1 604 . 3 1 1 A 58 58 ASN C C 58 175.578 175.387 0.191 1
1 605 . 3 1 1 A 58 58 ASN CA C 58 52.176 52.596 -0.420 1
1 606 . 3 1 1 A 58 58 ASN CB C 58 37.384 37.911 -0.527 1
1 607 . 3 1 1 A 58 58 ASN N N 58 114.653 115.142 -0.489 1
1 609 . 3 1 1 A 59 59 ALA H H 59 8.041 7.598 0.443 1
1 610 . 3 1 1 A 59 59 ALA HA H 59 4.360 4.325 0.035 1
1 614 . 3 1 1 A 59 59 ALA C C 59 177.738 178.374 -0.636 1
1 615 . 3 1 1 A 59 59 ALA CA C 59 52.792 51.845 0.947 1
1 616 . 3 1 1 A 59 59 ALA CB C 59 20.834 19.577 1.257 1
1 617 . 3 1 1 A 59 59 ALA N N 59 124.183 123.969 0.214 1
1 618 . 3 1 1 A 60 60 THR H H 60 8.274 8.694 -0.420 1
1 619 . 3 1 1 A 60 60 THR HA H 60 3.299 3.950 -0.651 1
1 624 . 3 1 1 A 60 60 THR C C 60 171.681 173.003 -1.322 1
1 625 . 3 1 1 A 60 60 THR CA C 60 59.732 60.371 -0.639 1
1 626 . 3 1 1 A 60 60 THR CB C 60 69.010 68.834 0.176 1
1 628 . 3 1 1 A 60 60 THR N N 60 108.095 112.986 -4.891 1
1 629 . 3 1 1 A 61 61 SER H H 61 6.728 7.344 -0.616 1
1 630 . 3 1 1 A 61 61 SER HA H 61 4.584 4.401 0.183 1
1 633 . 3 1 1 A 61 61 SER C C 61 172.948 172.488 0.460 1
1 634 . 3 1 1 A 61 61 SER CA C 61 57.403 57.270 0.133 1
1 635 . 3 1 1 A 61 61 SER CB C 61 65.767 65.230 0.537 1
1 636 . 3 1 1 A 61 61 SER N N 61 110.991 113.339 -2.348 1
1 637 . 3 1 1 A 62 62 ALA H H 62 8.954 8.677 0.277 1
1 638 . 3 1 1 A 62 62 ALA HA H 62 4.581 5.166 -0.585 1
1 642 . 3 1 1 A 62 62 ALA C C 62 174.741 176.120 -1.379 1
1 643 . 3 1 1 A 62 62 ALA CA C 62 51.949 51.190 0.759 1
1 644 . 3 1 1 A 62 62 ALA CB C 62 21.659 23.553 -1.894 1
1 645 . 3 1 1 A 62 62 ALA N N 62 119.306 122.662 -3.356 1
1 646 . 3 1 1 A 63 63 MET H H 63 8.599 8.633 -0.034 1
1 647 . 3 1 1 A 63 63 MET HA H 63 4.993 5.168 -0.175 1
1 655 . 3 1 1 A 63 63 MET C C 63 175.386 175.203 0.183 1
1 656 . 3 1 1 A 63 63 MET CA C 63 53.760 54.141 -0.381 1
1 657 . 3 1 1 A 63 63 MET CB C 63 31.842 34.465 -2.623 1
1 660 . 3 1 1 A 63 63 MET N N 63 120.537 119.376 1.161 1
1 661 . 3 1 1 A 64 64 LEU H H 64 9.244 8.493 0.751 1
1 662 . 3 1 1 A 64 64 LEU HA H 64 4.494 4.990 -0.496 1
1 672 . 3 1 1 A 64 64 LEU C C 64 175.976 175.607 0.369 1
1 673 . 3 1 1 A 64 64 LEU CA C 64 52.988 53.029 -0.041 1
1 674 . 3 1 1 A 64 64 LEU CB C 64 42.785 45.327 -2.542 1
1 678 . 3 1 1 A 64 64 LEU N N 64 124.823 121.890 2.933 1
1 679 . 3 1 1 A 65 65 GLY H H 65 7.516 8.145 -0.629 1
1 680 . 3 1 1 A 65 65 GLY HA2 H 65 4.505 4.030 0.475 1
1 681 . 3 1 1 A 65 65 GLY HA3 H 65 3.237 4.069 -0.832 1
1 682 . 3 1 1 A 65 65 GLY C C 65 170.608 172.184 -1.576 1
1 683 . 3 1 1 A 65 65 GLY CA C 65 44.505 44.533 -0.028 1
1 684 . 3 1 1 A 65 65 GLY N N 65 106.855 108.548 -1.693 1
1 685 . 3 1 1 A 66 66 PRO HA H 66 4.626 4.836 -0.210 1
1 692 . 3 1 1 A 66 66 PRO C C 66 176.262 176.903 -0.641 1
1 693 . 3 1 1 A 66 66 PRO CA C 66 62.542 62.877 -0.335 1
1 694 . 3 1 1 A 66 66 PRO CB C 66 34.107 32.054 2.053 1
1 697 . 3 1 1 A 67 67 LEU H H 67 8.487 8.705 -0.218 1
1 698 . 3 1 1 A 67 67 LEU HA H 67 4.586 4.606 -0.020 1
1 708 . 3 1 1 A 67 67 LEU C C 67 176.158 176.339 -0.181 1
1 709 . 3 1 1 A 67 67 LEU CA C 67 52.335 53.335 -1.000 1
1 710 . 3 1 1 A 67 67 LEU CB C 67 43.440 42.665 0.775 1
1 714 . 3 1 1 A 67 67 LEU N N 67 124.582 123.190 1.392 1
1 715 . 3 1 1 A 68 68 SER H H 68 8.958 8.698 0.260 1
1 716 . 3 1 1 A 68 68 SER HA H 68 4.529 4.969 -0.440 1
1 719 . 3 1 1 A 68 68 SER C C 68 174.360 173.402 0.958 1
1 720 . 3 1 1 A 68 68 SER CA C 68 58.649 55.848 2.801 1
1 721 . 3 1 1 A 68 68 SER CB C 68 64.239 65.826 -1.587 1
1 722 . 3 1 1 A 68 68 SER N N 68 117.670 116.213 1.457 1
1 723 . 3 1 1 A 69 69 SER H H 69 8.511 8.712 -0.201 1
1 724 . 3 1 1 A 69 69 SER HA H 69 5.085 5.158 -0.073 1
1 727 . 3 1 1 A 69 69 SER C C 69 175.660 174.028 1.632 1
1 728 . 3 1 1 A 69 69 SER CA C 69 59.071 56.303 2.768 1
1 729 . 3 1 1 A 69 69 SER CB C 69 64.439 65.856 -1.417 1
1 730 . 3 1 1 A 69 69 SER N N 69 119.760 117.778 1.982 1
1 731 . 3 1 1 A 70 70 SER H H 70 7.974 8.744 -0.770 1
1 732 . 3 1 1 A 70 70 SER HA H 70 3.799 4.106 -0.307 1
1 735 . 3 1 1 A 70 70 SER C C 70 173.645 173.012 0.633 1
1 736 . 3 1 1 A 70 70 SER CA C 70 58.453 59.248 -0.795 1
1 737 . 3 1 1 A 70 70 SER CB C 70 62.477 61.958 0.519 1
1 738 . 3 1 1 A 70 70 SER N N 70 121.170 116.217 4.953 1
1 739 . 3 1 1 A 71 71 THR H H 71 8.325 7.549 0.776 1
1 740 . 3 1 1 A 71 71 THR HA H 71 4.482 4.714 -0.232 1
1 745 . 3 1 1 A 71 71 THR C C 71 171.950 173.437 -1.487 1
1 746 . 3 1 1 A 71 71 THR CA C 71 62.453 61.654 0.799 1
1 747 . 3 1 1 A 71 71 THR CB C 71 72.120 71.375 0.745 1
1 749 . 3 1 1 A 71 71 THR N N 71 115.265 114.787 0.478 1
1 750 . 3 1 1 A 72 72 THR H H 72 8.963 8.782 0.181 1
1 751 . 3 1 1 A 72 72 THR HA H 72 5.044 4.735 0.309 1
1 756 . 3 1 1 A 72 72 THR C C 72 173.198 174.085 -0.887 1
1 757 . 3 1 1 A 72 72 THR CA C 72 62.216 63.208 -0.992 1
1 758 . 3 1 1 A 72 72 THR CB C 72 69.392 69.191 0.201 1
1 760 . 3 1 1 A 72 72 THR N N 72 124.221 121.518 2.703 1
1 761 . 3 1 1 A 73 73 TYR H H 73 9.711 9.252 0.459 1
1 762 . 3 1 1 A 73 73 TYR HA H 73 4.852 5.225 -0.373 1
1 767 . 3 1 1 A 73 73 TYR C C 73 175.854 175.186 0.668 1
1 768 . 3 1 1 A 73 73 TYR CA C 73 57.596 56.579 1.017 1
1 769 . 3 1 1 A 73 73 TYR CB C 73 41.377 40.816 0.561 1
1 774 . 3 1 1 A 73 73 TYR N N 73 126.553 126.015 0.538 1
1 775 . 3 1 1 A 74 74 THR H H 74 8.981 9.283 -0.302 1
1 776 . 3 1 1 A 74 74 THR HA H 74 4.648 4.604 0.044 1
1 781 . 3 1 1 A 74 74 THR C C 74 174.296 174.218 0.078 1
1 782 . 3 1 1 A 74 74 THR CA C 74 63.156 62.675 0.481 1
1 783 . 3 1 1 A 74 74 THR CB C 74 68.916 68.677 0.239 1
1 785 . 3 1 1 A 74 74 THR N N 74 118.190 119.623 -1.433 1
1 786 . 3 1 1 A 75 75 VAL H H 75 9.376 9.091 0.285 1
1 787 . 3 1 1 A 75 75 VAL HA H 75 4.951 4.447 0.504 1
1 795 . 3 1 1 A 75 75 VAL C C 75 173.554 174.810 -1.256 1
1 796 . 3 1 1 A 75 75 VAL CA C 75 61.004 62.137 -1.133 1
1 797 . 3 1 1 A 75 75 VAL CB C 75 34.541 32.678 1.863 1
1 800 . 3 1 1 A 75 75 VAL N N 75 130.973 128.243 2.730 1
1 801 . 3 1 1 A 76 76 ARG H H 76 9.023 9.119 -0.096 1
1 802 . 3 1 1 A 76 76 ARG HA H 76 5.218 5.096 0.122 1
1 809 . 3 1 1 A 76 76 ARG C C 76 175.034 174.383 0.651 1
1 810 . 3 1 1 A 76 76 ARG CA C 76 54.501 54.735 -0.234 1
1 811 . 3 1 1 A 76 76 ARG CB C 76 32.621 33.250 -0.629 1
1 814 . 3 1 1 A 76 76 ARG N N 76 126.030 128.298 -2.268 1
1 815 . 3 1 1 A 77 77 VAL H H 77 9.155 8.854 0.301 1
1 816 . 3 1 1 A 77 77 VAL HA H 77 4.165 4.420 -0.255 1
1 824 . 3 1 1 A 77 77 VAL C C 77 174.967 175.123 -0.156 1
1 825 . 3 1 1 A 77 77 VAL CA C 77 61.626 61.946 -0.320 1
1 826 . 3 1 1 A 77 77 VAL CB C 77 33.367 31.181 2.186 1
1 829 . 3 1 1 A 77 77 VAL N N 77 125.903 127.426 -1.523 1
1 830 . 3 1 1 A 78 78 THR H H 78 9.313 8.632 0.681 1
1 831 . 3 1 1 A 78 78 THR HA H 78 5.121 4.847 0.274 1
1 836 . 3 1 1 A 78 78 THR C C 78 173.388 173.920 -0.532 1
1 837 . 3 1 1 A 78 78 THR CA C 78 61.286 62.127 -0.841 1
1 838 . 3 1 1 A 78 78 THR CB C 78 70.432 69.362 1.070 1
1 840 . 3 1 1 A 78 78 THR N N 78 126.547 123.590 2.957 1
1 841 . 3 1 1 A 79 79 CYS H H 79 8.807 8.258 0.549 1
1 842 . 3 1 1 A 79 79 CYS HA H 79 4.410 4.674 -0.264 1
1 845 . 3 1 1 A 79 79 CYS C C 79 172.501 173.377 -0.876 1
1 846 . 3 1 1 A 79 79 CYS CA C 79 58.141 56.990 1.151 1
1 847 . 3 1 1 A 79 79 CYS CB C 79 28.102 27.692 0.410 1
1 848 . 3 1 1 A 79 79 CYS N N 79 125.160 125.773 -0.613 1
1 849 . 3 1 1 A 80 80 LEU H H 80 8.417 8.613 -0.196 1
1 850 . 3 1 1 A 80 80 LEU HA H 80 4.377 4.450 -0.073 1
1 860 . 3 1 1 A 80 80 LEU C C 80 175.846 175.852 -0.006 1
1 861 . 3 1 1 A 80 80 LEU CA C 80 54.400 53.551 0.849 1
1 862 . 3 1 1 A 80 80 LEU CB C 80 41.520 41.625 -0.105 1
1 866 . 3 1 1 A 80 80 LEU N N 80 123.584 126.525 -2.941 1
1 867 . 3 1 1 A 81 81 TYR H H 81 8.090 8.109 -0.019 1
1 868 . 3 1 1 A 81 81 TYR HA H 81 5.085 4.704 0.381 1
1 875 . 3 1 1 A 81 81 TYR C C 81 175.341 174.264 1.077 1
1 876 . 3 1 1 A 81 81 TYR CA C 81 55.561 56.752 -1.191 1
1 877 . 3 1 1 A 81 81 TYR CB C 81 36.792 38.198 -1.406 1
1 882 . 3 1 1 A 81 81 TYR N N 81 123.717 125.479 -1.762 1
1 883 . 3 1 1 A 82 82 PRO HA H 82 4.358 4.342 0.016 1
1 890 . 3 1 1 A 82 82 PRO CA C 82 64.469 63.828 0.641 1
1 891 . 3 1 1 A 82 82 PRO CB C 82 31.395 31.377 0.018 1
1 894 . 3 1 1 A 83 83 GLY HA2 H 83 4.164 3.997 0.167 1
1 895 . 3 1 1 A 83 83 GLY HA3 H 83 3.880 4.003 -0.123 1
1 896 . 3 1 1 A 83 83 GLY C C 83 174.832 173.803 1.029 1
1 897 . 3 1 1 A 83 83 GLY CA C 83 45.437 45.638 -0.201 1
1 898 . 3 1 1 A 84 84 GLY H H 84 7.641 7.775 -0.134 1
1 899 . 3 1 1 A 84 84 GLY HA2 H 84 4.581 4.146 0.435 1
1 900 . 3 1 1 A 84 84 GLY HA3 H 84 3.788 4.150 -0.362 1
1 901 . 3 1 1 A 84 84 GLY C C 84 174.354 172.868 1.486 1
1 902 . 3 1 1 A 84 84 GLY CA C 84 44.801 45.834 -1.033 1
1 903 . 3 1 1 A 84 84 GLY N N 84 107.816 104.198 3.618 1
1 904 . 3 1 1 A 85 85 GLY H H 85 8.303 8.396 -0.093 1
1 905 . 3 1 1 A 85 85 GLY HA2 H 85 4.322 4.200 0.122 1
1 906 . 3 1 1 A 85 85 GLY HA3 H 85 4.113 4.260 -0.147 1
1 907 . 3 1 1 A 85 85 GLY C C 85 172.757 171.694 1.063 1
1 908 . 3 1 1 A 85 85 GLY CA C 85 44.602 44.393 0.209 1
1 909 . 3 1 1 A 85 85 GLY N N 85 108.998 110.639 -1.641 1
1 910 . 3 1 1 A 86 86 SER H H 86 8.361 8.499 -0.138 1
1 911 . 3 1 1 A 86 86 SER HA H 86 5.024 4.598 0.426 1
1 914 . 3 1 1 A 86 86 SER C C 86 173.484 172.098 1.386 1
1 915 . 3 1 1 A 86 86 SER CA C 86 57.738 57.530 0.208 1
1 916 . 3 1 1 A 86 86 SER CB C 86 66.693 66.045 0.648 1
1 917 . 3 1 1 A 86 86 SER N N 86 111.910 113.296 -1.386 1
1 918 . 3 1 1 A 87 87 SER H H 87 8.105 8.168 -0.063 1
1 919 . 3 1 1 A 87 87 SER HA H 87 4.827 5.491 -0.664 1
1 922 . 3 1 1 A 87 87 SER C C 87 173.377 173.114 0.263 1
1 923 . 3 1 1 A 87 87 SER CA C 87 57.737 55.877 1.860 1
1 924 . 3 1 1 A 87 87 SER CB C 87 65.849 66.189 -0.340 1
1 925 . 3 1 1 A 87 87 SER N N 87 112.598 117.392 -4.794 1
1 926 . 3 1 1 A 88 88 THR H H 88 8.778 8.834 -0.056 1
1 927 . 3 1 1 A 88 88 THR HA H 88 5.439 4.927 0.512 1
1 932 . 3 1 1 A 88 88 THR C C 88 173.289 173.324 -0.035 1
1 933 . 3 1 1 A 88 88 THR CA C 88 62.083 61.717 0.366 1
1 934 . 3 1 1 A 88 88 THR CB C 88 72.001 71.481 0.520 1
1 936 . 3 1 1 A 88 88 THR N N 88 120.383 116.805 3.578 1
1 937 . 3 1 1 A 89 89 LEU H H 89 8.832 8.904 -0.072 1
1 938 . 3 1 1 A 89 89 LEU HA H 89 4.766 4.850 -0.084 1
1 948 . 3 1 1 A 89 89 LEU C C 89 175.440 175.772 -0.332 1
1 949 . 3 1 1 A 89 89 LEU CA C 89 53.671 53.576 0.095 1
1 950 . 3 1 1 A 89 89 LEU CB C 89 45.972 42.482 3.490 1
1 954 . 3 1 1 A 89 89 LEU N N 89 128.653 128.468 0.185 1
1 955 . 3 1 1 A 90 90 THR H H 90 8.576 8.781 -0.205 1
1 956 . 3 1 1 A 90 90 THR HA H 90 5.622 5.034 0.588 1
1 961 . 3 1 1 A 90 90 THR C C 90 174.307 174.331 -0.024 1
1 962 . 3 1 1 A 90 90 THR CA C 90 60.799 61.046 -0.247 1
1 963 . 3 1 1 A 90 90 THR CB C 90 71.589 69.928 1.661 1
1 965 . 3 1 1 A 90 90 THR N N 90 115.259 117.144 -1.885 1
1 966 . 3 1 1 A 91 91 GLY H H 91 9.071 9.092 -0.021 1
1 967 . 3 1 1 A 91 91 GLY HA2 H 91 4.605 4.431 0.174 1
1 968 . 3 1 1 A 91 91 GLY HA3 H 91 3.960 4.513 -0.553 1
1 969 . 3 1 1 A 91 91 GLY C C 91 170.717 172.025 -1.308 1
1 970 . 3 1 1 A 91 91 GLY CA C 91 45.314 44.807 0.507 1
1 971 . 3 1 1 A 91 91 GLY N N 91 112.300 111.964 0.336 1
1 972 . 3 1 1 A 92 92 ARG H H 92 8.558 8.869 -0.311 1
1 973 . 3 1 1 A 92 92 ARG HA H 92 5.594 4.839 0.755 1
1 980 . 3 1 1 A 92 92 ARG C C 92 173.260 175.009 -1.749 1
1 981 . 3 1 1 A 92 92 ARG CA C 92 54.806 55.905 -1.099 1
1 982 . 3 1 1 A 92 92 ARG CB C 92 34.464 32.205 2.259 1
1 985 . 3 1 1 A 92 92 ARG N N 92 119.774 125.308 -5.534 1
1 986 . 3 1 1 A 93 93 VAL H H 93 8.430 8.350 0.080 1
1 987 . 3 1 1 A 93 93 VAL HA H 93 4.081 4.549 -0.468 1
1 995 . 3 1 1 A 93 93 VAL C C 93 171.210 173.642 -2.432 1
1 996 . 3 1 1 A 93 93 VAL CA C 93 58.915 59.522 -0.607 1
1 997 . 3 1 1 A 93 93 VAL CB C 93 33.683 34.872 -1.189 1
1 1000 . 3 1 1 A 93 93 VAL N N 93 120.381 119.951 0.430 1
1 1001 . 3 1 1 A 94 94 THR H H 94 8.129 8.625 -0.496 1
1 1002 . 3 1 1 A 94 94 THR HA H 94 5.342 4.806 0.536 1
1 1007 . 3 1 1 A 94 94 THR C C 94 174.637 174.668 -0.031 1
1 1008 . 3 1 1 A 94 94 THR CA C 94 60.799 62.084 -1.285 1
1 1009 . 3 1 1 A 94 94 THR CB C 94 70.768 69.323 1.445 1
1 1011 . 3 1 1 A 94 94 THR N N 94 124.645 123.390 1.255 1
1 1012 . 3 1 1 A 95 95 THR H H 95 8.906 8.396 0.510 1
1 1013 . 3 1 1 A 95 95 THR HA H 95 4.115 4.279 -0.164 1
1 1018 . 3 1 1 A 95 95 THR C C 95 175.367 174.284 1.083 1
1 1019 . 3 1 1 A 95 95 THR CA C 95 60.909 62.106 -1.197 1
1 1020 . 3 1 1 A 95 95 THR CB C 95 70.346 70.177 0.169 1
1 1022 . 3 1 1 A 95 95 THR N N 95 116.835 121.118 -4.283 1
1 1023 . 3 1 1 A 96 96 LYS H H 96 7.372 8.567 -1.195 1
1 1024 . 3 1 1 A 96 96 LYS HA H 96 4.189 4.364 -0.175 1
1 1033 . 3 1 1 A 96 96 LYS C C 96 176.308 177.439 -1.131 1
1 1034 . 3 1 1 A 96 96 LYS CA C 96 55.207 56.168 -0.961 1
1 1035 . 3 1 1 A 96 96 LYS CB C 96 34.095 33.287 0.808 1
1 1039 . 3 1 1 A 96 96 LYS N N 96 116.829 122.221 -5.392 1
1 1040 . 3 1 1 A 97 97 LYS H H 97 8.113 8.603 -0.490 1
1 1041 . 3 1 1 A 97 97 LYS HA H 97 4.356 4.383 -0.027 1
1 1050 . 3 1 1 A 97 97 LYS C C 97 176.106 176.534 -0.428 1
1 1051 . 3 1 1 A 97 97 LYS CA C 97 56.260 56.632 -0.372 1
1 1052 . 3 1 1 A 97 97 LYS CB C 97 33.140 32.998 0.142 1
1 1056 . 3 1 1 A 97 97 LYS N N 97 119.233 121.811 -2.578 1
1 1057 . 3 1 1 A 98 98 ALA H H 98 8.484 8.535 -0.051 1
1 1058 . 3 1 1 A 98 98 ALA HA H 98 4.054 3.876 0.178 1
1 1062 . 3 1 1 A 98 98 ALA C C 98 175.754 175.910 -0.156 1
1 1063 . 3 1 1 A 98 98 ALA CA C 98 50.511 50.534 -0.023 1
1 1064 . 3 1 1 A 98 98 ALA CB C 98 17.093 17.756 -0.663 1
1 1065 . 3 1 1 A 98 98 ALA N N 98 126.424 126.548 -0.124 1
1 1066 . 3 1 1 A 99 99 PRO HA H 99 4.313 4.572 -0.259 1
1 1073 . 3 1 1 A 99 99 PRO C C 99 176.506 177.599 -1.093 1
1 1074 . 3 1 1 A 99 99 PRO CA C 99 62.584 62.271 0.313 1
1 1075 . 3 1 1 A 99 99 PRO CB C 99 32.024 30.669 1.355 1
1 1078 . 3 1 1 A 100 100 SER H H 100 8.377 8.665 -0.288 1
1 1079 . 3 1 1 A 100 100 SER HA H 100 4.688 4.183 0.505 1
1 1082 . 3 1 1 A 100 100 SER CA C 100 56.296 62.739 -6.443 1
1 1083 . 3 1 1 A 100 100 SER CB C 100 63.276 61.836 1.440 1
1 1084 . 3 1 1 A 100 100 SER N N 100 117.700 119.129 -1.429 1
1 1086 . 3 1 1 A 103 103 SER HA H 103 4.507 5.206 -0.699 1
1 1089 . 3 1 1 A 103 103 SER CA C 103 58.198 55.754 2.444 1
1 1090 . 3 1 1 A 103 103 SER CB C 103 63.882 66.642 -2.760 1
1 1091 . 3 1 1 A 104 104 GLY H H 104 8.233 8.310 -0.077 1
1 1092 . 3 1 1 A 104 104 GLY HA2 H 104 4.124 4.220 -0.096 1
1 1093 . 3 1 1 A 104 104 GLY HA3 H 104 4.124 4.223 -0.099 1
1 1094 . 3 1 1 A 104 104 GLY CA C 104 44.608 45.167 -0.559 1
1 1095 . 3 1 1 A 104 104 GLY N N 104 110.600 110.052 0.548 1
1 1096 . 3 1 1 A 105 105 PRO HA H 105 4.460 4.439 0.021 1
1 1103 . 3 1 1 A 105 105 PRO CA C 105 63.264 63.903 -0.639 1
1 1104 . 3 1 1 A 105 105 PRO CB C 105 32.094 31.991 0.103 1
1 1 . 4 1 1 A 6 6 SER HA H 6 4.470 4.179 0.291 1
1 3 . 4 1 1 A 6 6 SER C C 6 175.031 173.449 1.582 1
1 4 . 4 1 1 A 6 6 SER CA C 6 58.687 59.325 -0.638 1
1 5 . 4 1 1 A 6 6 SER CB C 6 63.635 61.148 2.487 1
1 6 . 4 1 1 A 7 7 GLY H H 7 8.390 8.017 0.373 1
1 7 . 4 1 1 A 7 7 GLY HA2 H 7 3.941 4.224 -0.283 1
1 8 . 4 1 1 A 7 7 GLY HA3 H 7 3.941 4.225 -0.284 1
1 9 . 4 1 1 A 7 7 GLY C C 7 173.892 171.857 2.035 1
1 10 . 4 1 1 A 7 7 GLY CA C 7 45.348 43.975 1.373 1
1 11 . 4 1 1 A 7 7 GLY N N 7 110.659 107.113 3.546 1
1 12 . 4 1 1 A 8 8 LEU H H 8 8.017 8.470 -0.453 1
1 13 . 4 1 1 A 8 8 LEU HA H 8 4.347 4.773 -0.426 1
1 23 . 4 1 1 A 8 8 LEU C C 8 176.816 175.207 1.609 1
1 24 . 4 1 1 A 8 8 LEU CA C 8 54.760 54.001 0.759 1
1 25 . 4 1 1 A 8 8 LEU CB C 8 42.565 43.121 -0.556 1
1 29 . 4 1 1 A 8 8 LEU N N 8 121.546 122.097 -0.551 1
1 30 . 4 1 1 A 9 9 ALA H H 9 8.291 8.323 -0.032 1
1 31 . 4 1 1 A 9 9 ALA HA H 9 4.589 4.796 -0.207 1
1 35 . 4 1 1 A 9 9 ALA C C 9 174.928 174.223 0.705 1
1 36 . 4 1 1 A 9 9 ALA CA C 9 50.381 50.434 -0.053 1
1 37 . 4 1 1 A 9 9 ALA CB C 9 18.293 22.095 -3.802 1
1 38 . 4 1 1 A 9 9 ALA N N 9 126.618 125.970 0.648 1
1 39 . 4 1 1 A 10 10 PRO HA H 10 4.708 4.642 0.066 1
1 45 . 4 1 1 A 10 10 PRO CA C 10 61.347 61.776 -0.429 1
1 46 . 4 1 1 A 10 10 PRO CB C 10 30.783 32.246 -1.463 1
1 49 . 4 1 1 A 11 11 PRO HA H 11 4.442 4.318 0.124 1
1 56 . 4 1 1 A 11 11 PRO C C 11 176.585 176.399 0.186 1
1 57 . 4 1 1 A 11 11 PRO CA C 11 63.016 65.070 -2.054 1
1 58 . 4 1 1 A 11 11 PRO CB C 11 32.096 32.188 -0.092 1
1 61 . 4 1 1 A 12 12 ARG H H 12 8.348 7.628 0.720 1
1 62 . 4 1 1 A 12 12 ARG HA H 12 4.405 4.636 -0.231 1
1 69 . 4 1 1 A 12 12 ARG C C 12 175.204 174.738 0.466 1
1 70 . 4 1 1 A 12 12 ARG CA C 12 55.797 54.032 1.765 1
1 71 . 4 1 1 A 12 12 ARG CB C 12 32.052 34.070 -2.018 1
1 74 . 4 1 1 A 12 12 ARG N N 12 120.519 117.827 2.692 1
1 75 . 4 1 1 A 13 13 HIS H H 13 8.296 8.517 -0.221 1
1 76 . 4 1 1 A 13 13 HIS HA H 13 4.815 5.240 -0.425 1
1 81 . 4 1 1 A 13 13 HIS C C 13 174.544 175.171 -0.627 1
1 82 . 4 1 1 A 13 13 HIS CA C 13 55.783 54.360 1.423 1
1 83 . 4 1 1 A 13 13 HIS CB C 13 32.469 32.538 -0.069 1
1 86 . 4 1 1 A 13 13 HIS N N 13 118.569 116.648 1.921 1
1 87 . 4 1 1 A 14 14 LEU H H 14 8.209 8.605 -0.396 1
1 88 . 4 1 1 A 14 14 LEU HA H 14 4.655 4.514 0.141 1
1 98 . 4 1 1 A 14 14 LEU C C 14 175.977 176.212 -0.235 1
1 99 . 4 1 1 A 14 14 LEU CA C 14 53.935 54.084 -0.149 1
1 100 . 4 1 1 A 14 14 LEU CB C 14 44.113 42.931 1.182 1
1 104 . 4 1 1 A 14 14 LEU N N 14 120.625 122.860 -2.235 1
1 105 . 4 1 1 A 15 15 GLY H H 15 7.988 7.476 0.512 1
1 106 . 4 1 1 A 15 15 GLY HA2 H 15 4.008 3.241 0.767 1
1 107 . 4 1 1 A 15 15 GLY HA3 H 15 2.486 3.901 -1.415 1
1 108 . 4 1 1 A 15 15 GLY C C 15 170.056 170.868 -0.812 1
1 109 . 4 1 1 A 15 15 GLY CA C 15 43.188 44.115 -0.927 1
1 110 . 4 1 1 A 15 15 GLY N N 15 111.142 108.508 2.634 1
1 111 . 4 1 1 A 16 16 PHE H H 16 8.078 8.774 -0.696 1
1 112 . 4 1 1 A 16 16 PHE HA H 16 5.830 5.493 0.337 1
1 120 . 4 1 1 A 16 16 PHE C C 16 175.968 175.548 0.420 1
1 121 . 4 1 1 A 16 16 PHE CA C 16 56.048 56.379 -0.331 1
1 122 . 4 1 1 A 16 16 PHE CB C 16 43.353 40.905 2.448 1
1 128 . 4 1 1 A 16 16 PHE N N 16 114.388 123.906 -9.518 1
1 129 . 4 1 1 A 17 17 SER H H 17 9.811 8.620 1.191 1
1 130 . 4 1 1 A 17 17 SER HA H 17 4.883 5.065 -0.182 1
1 133 . 4 1 1 A 17 17 SER C C 17 171.638 173.416 -1.778 1
1 134 . 4 1 1 A 17 17 SER CA C 17 57.073 56.131 0.942 1
1 135 . 4 1 1 A 17 17 SER CB C 17 66.893 66.661 0.232 1
1 136 . 4 1 1 A 17 17 SER N N 17 118.688 116.256 2.432 1
1 137 . 4 1 1 A 18 18 ASP H H 18 9.001 9.062 -0.061 1
1 138 . 4 1 1 A 18 18 ASP HA H 18 4.171 4.266 -0.095 1
1 141 . 4 1 1 A 18 18 ASP C C 18 174.520 175.077 -0.557 1
1 142 . 4 1 1 A 18 18 ASP CA C 18 55.333 54.860 0.473 1
1 143 . 4 1 1 A 18 18 ASP CB C 18 40.075 39.631 0.444 1
1 144 . 4 1 1 A 18 18 ASP N N 18 116.878 120.279 -3.401 1
1 145 . 4 1 1 A 19 19 VAL H H 19 8.202 8.025 0.177 1
1 146 . 4 1 1 A 19 19 VAL HA H 19 4.169 4.098 0.071 1
1 154 . 4 1 1 A 19 19 VAL C C 19 176.641 175.660 0.981 1
1 155 . 4 1 1 A 19 19 VAL CA C 19 63.962 63.243 0.719 1
1 156 . 4 1 1 A 19 19 VAL CB C 19 31.236 31.736 -0.500 1
1 159 . 4 1 1 A 19 19 VAL N N 19 117.253 119.915 -2.662 1
1 160 . 4 1 1 A 20 20 SER H H 20 9.066 8.903 0.163 1
1 161 . 4 1 1 A 20 20 SER HA H 20 5.061 4.802 0.259 1
1 164 . 4 1 1 A 20 20 SER C C 20 174.081 174.891 -0.810 1
1 165 . 4 1 1 A 20 20 SER CA C 20 55.582 56.964 -1.382 1
1 166 . 4 1 1 A 20 20 SER CB C 20 65.090 66.464 -1.374 1
1 167 . 4 1 1 A 20 20 SER N N 20 126.686 119.766 6.920 1
1 168 . 4 1 1 A 21 21 HIS H H 21 8.635 8.137 0.498 1
1 169 . 4 1 1 A 21 21 HIS HA H 21 4.895 4.748 0.147 1
1 174 . 4 1 1 A 21 21 HIS C C 21 175.242 175.575 -0.333 1
1 175 . 4 1 1 A 21 21 HIS CA C 21 56.934 56.900 0.034 1
1 176 . 4 1 1 A 21 21 HIS CB C 21 30.651 29.931 0.720 1
1 179 . 4 1 1 A 21 21 HIS N N 21 117.241 120.925 -3.684 1
1 180 . 4 1 1 A 22 22 ASP H H 22 7.400 7.605 -0.205 1
1 181 . 4 1 1 A 22 22 ASP HA H 22 4.803 4.943 -0.140 1
1 184 . 4 1 1 A 22 22 ASP C C 22 176.754 174.712 2.042 1
1 185 . 4 1 1 A 22 22 ASP CA C 22 52.316 53.833 -1.517 1
1 186 . 4 1 1 A 22 22 ASP CB C 22 41.697 42.269 -0.572 1
1 187 . 4 1 1 A 22 22 ASP N N 22 115.766 118.516 -2.750 1
1 188 . 4 1 1 A 23 23 ALA H H 23 7.379 7.467 -0.088 1
1 189 . 4 1 1 A 23 23 ALA HA H 23 4.753 4.726 0.027 1
1 193 . 4 1 1 A 23 23 ALA C C 23 174.757 175.057 -0.300 1
1 194 . 4 1 1 A 23 23 ALA CA C 23 51.613 51.623 -0.010 1
1 195 . 4 1 1 A 23 23 ALA CB C 23 22.882 22.360 0.522 1
1 196 . 4 1 1 A 23 23 ALA N N 23 122.521 118.977 3.544 1
1 197 . 4 1 1 A 24 24 ALA H H 24 7.745 8.174 -0.429 1
1 198 . 4 1 1 A 24 24 ALA HA H 24 4.593 4.787 -0.194 1
1 202 . 4 1 1 A 24 24 ALA C C 24 173.662 174.939 -1.277 1
1 203 . 4 1 1 A 24 24 ALA CA C 24 52.233 51.644 0.589 1
1 204 . 4 1 1 A 24 24 ALA CB C 24 22.894 22.913 -0.019 1
1 205 . 4 1 1 A 24 24 ALA N N 24 115.485 120.267 -4.782 1
1 206 . 4 1 1 A 25 25 ARG H H 25 8.690 8.272 0.418 1
1 207 . 4 1 1 A 25 25 ARG HA H 25 5.209 4.900 0.309 1
1 214 . 4 1 1 A 25 25 ARG C C 25 174.777 174.872 -0.095 1
1 215 . 4 1 1 A 25 25 ARG CA C 25 55.161 55.171 -0.010 1
1 216 . 4 1 1 A 25 25 ARG CB C 25 32.329 31.950 0.379 1
1 219 . 4 1 1 A 25 25 ARG N N 25 122.853 123.468 -0.615 1
1 220 . 4 1 1 A 26 26 VAL H H 26 8.865 9.176 -0.311 1
1 221 . 4 1 1 A 26 26 VAL HA H 26 5.120 4.892 0.228 1
1 229 . 4 1 1 A 26 26 VAL C C 26 172.428 175.017 -2.589 1
1 230 . 4 1 1 A 26 26 VAL CA C 26 57.420 59.918 -2.498 1
1 231 . 4 1 1 A 26 26 VAL CB C 26 34.734 34.248 0.486 1
1 234 . 4 1 1 A 26 26 VAL N N 26 125.534 127.117 -1.583 1
1 235 . 4 1 1 A 27 27 PHE H H 27 8.520 8.689 -0.169 1
1 236 . 4 1 1 A 27 27 PHE HA H 27 5.039 5.667 -0.628 1
1 244 . 4 1 1 A 27 27 PHE C C 27 172.979 173.190 -0.211 1
1 245 . 4 1 1 A 27 27 PHE CA C 27 56.293 55.333 0.960 1
1 246 . 4 1 1 A 27 27 PHE CB C 27 42.190 42.753 -0.563 1
1 252 . 4 1 1 A 27 27 PHE N N 27 123.552 123.561 -0.009 1
1 253 . 4 1 1 A 28 28 TRP H H 28 7.813 8.188 -0.375 1
1 254 . 4 1 1 A 28 28 TRP HA H 28 5.058 5.667 -0.609 1
1 263 . 4 1 1 A 28 28 TRP C C 28 174.131 176.268 -2.137 1
1 264 . 4 1 1 A 28 28 TRP CA C 28 55.730 54.583 1.147 1
1 265 . 4 1 1 A 28 28 TRP CB C 28 30.997 33.022 -2.025 1
1 271 . 4 1 1 A 28 28 TRP N N 28 116.968 119.889 -2.921 1
1 273 . 4 1 1 A 29 29 GLU H H 29 8.362 9.156 -0.794 1
1 274 . 4 1 1 A 29 29 GLU HA H 29 4.356 4.431 -0.075 1
1 279 . 4 1 1 A 29 29 GLU C C 29 177.125 176.816 0.309 1
1 280 . 4 1 1 A 29 29 GLU CA C 29 55.820 56.240 -0.420 1
1 281 . 4 1 1 A 29 29 GLU CB C 29 31.085 29.614 1.471 1
1 283 . 4 1 1 A 29 29 GLU N N 29 119.239 118.702 0.537 1
1 284 . 4 1 1 A 30 30 GLY H H 30 8.729 8.094 0.635 1
1 285 . 4 1 1 A 30 30 GLY HA2 H 30 4.051 4.136 -0.085 1
1 286 . 4 1 1 A 30 30 GLY HA3 H 30 3.781 4.368 -0.587 1
1 287 . 4 1 1 A 30 30 GLY C C 30 173.621 172.711 0.910 1
1 288 . 4 1 1 A 30 30 GLY CA C 30 45.559 44.852 0.707 1
1 289 . 4 1 1 A 30 30 GLY N N 30 110.979 107.563 3.416 1
1 290 . 4 1 1 A 31 31 ALA H H 31 8.747 8.008 0.739 1
1 291 . 4 1 1 A 31 31 ALA HA H 31 4.577 4.957 -0.380 1
1 295 . 4 1 1 A 31 31 ALA C C 31 177.064 176.809 0.255 1
1 296 . 4 1 1 A 31 31 ALA CA C 31 50.416 50.183 0.233 1
1 297 . 4 1 1 A 31 31 ALA CB C 31 19.221 21.866 -2.645 1
1 298 . 4 1 1 A 31 31 ALA N N 31 126.357 121.398 4.959 1
1 299 . 4 1 1 A 32 32 PRO HA H 32 4.630 4.483 0.147 1
1 306 . 4 1 1 A 32 32 PRO C C 32 175.001 176.206 -1.205 1
1 307 . 4 1 1 A 32 32 PRO CA C 32 63.368 63.648 -0.280 1
1 308 . 4 1 1 A 32 32 PRO CB C 32 30.738 31.419 -0.681 1
1 311 . 4 1 1 A 33 33 ARG H H 33 7.418 7.728 -0.310 1
1 312 . 4 1 1 A 33 33 ARG HA H 33 4.746 4.631 0.115 1
1 319 . 4 1 1 A 33 33 ARG C C 33 172.695 173.415 -0.720 1
1 320 . 4 1 1 A 33 33 ARG CA C 33 53.205 51.994 1.211 1
1 321 . 4 1 1 A 33 33 ARG CB C 33 30.414 30.878 -0.464 1
1 324 . 4 1 1 A 33 33 ARG N N 33 117.994 120.031 -2.037 1
1 325 . 4 1 1 A 34 34 PRO HA H 34 4.273 4.667 -0.394 1
1 332 . 4 1 1 A 34 34 PRO C C 34 175.342 176.192 -0.850 1
1 333 . 4 1 1 A 34 34 PRO CA C 34 64.037 62.402 1.635 1
1 334 . 4 1 1 A 34 34 PRO CB C 34 32.581 32.235 0.346 1
1 337 . 4 1 1 A 35 35 VAL H H 35 8.264 8.706 -0.442 1
1 338 . 4 1 1 A 35 35 VAL HA H 35 4.237 4.724 -0.487 1
1 346 . 4 1 1 A 35 35 VAL C C 35 175.771 175.721 0.050 1
1 347 . 4 1 1 A 35 35 VAL CA C 35 61.890 60.698 1.192 1
1 348 . 4 1 1 A 35 35 VAL CB C 35 35.092 35.928 -0.836 1
1 351 . 4 1 1 A 35 35 VAL N N 35 122.377 123.334 -0.957 1
1 352 . 4 1 1 A 36 36 ARG H H 36 9.278 8.397 0.881 1
1 353 . 4 1 1 A 36 36 ARG HA H 36 4.426 4.582 -0.156 1
1 360 . 4 1 1 A 36 36 ARG C C 36 175.620 176.111 -0.491 1
1 361 . 4 1 1 A 36 36 ARG CA C 36 57.672 56.828 0.844 1
1 362 . 4 1 1 A 36 36 ARG CB C 36 31.595 31.717 -0.122 1
1 365 . 4 1 1 A 36 36 ARG N N 36 125.821 123.441 2.380 1
1 366 . 4 1 1 A 37 37 LEU H H 37 7.525 7.080 0.445 1
1 367 . 4 1 1 A 37 37 LEU HA H 37 4.403 4.766 -0.363 1
1 377 . 4 1 1 A 37 37 LEU C C 37 172.405 174.418 -2.013 1
1 378 . 4 1 1 A 37 37 LEU CA C 37 54.913 54.325 0.588 1
1 379 . 4 1 1 A 37 37 LEU CB C 37 46.166 45.492 0.674 1
1 383 . 4 1 1 A 37 37 LEU N N 37 119.761 119.453 0.308 1
1 384 . 4 1 1 A 38 38 VAL H H 38 8.513 8.867 -0.354 1
1 385 . 4 1 1 A 38 38 VAL HA H 38 4.790 5.008 -0.218 1
1 393 . 4 1 1 A 38 38 VAL C C 38 174.595 174.875 -0.280 1
1 394 . 4 1 1 A 38 38 VAL CA C 38 60.992 60.560 0.432 1
1 395 . 4 1 1 A 38 38 VAL CB C 38 33.979 35.269 -1.290 1
1 398 . 4 1 1 A 38 38 VAL N N 38 123.604 124.462 -0.858 1
1 399 . 4 1 1 A 39 39 ARG H H 39 9.025 9.025 0.000 1
1 400 . 4 1 1 A 39 39 ARG HA H 39 4.839 5.154 -0.315 1
1 407 . 4 1 1 A 39 39 ARG C C 39 174.581 174.999 -0.418 1
1 408 . 4 1 1 A 39 39 ARG CA C 39 55.150 55.023 0.127 1
1 409 . 4 1 1 A 39 39 ARG CB C 39 32.919 33.159 -0.240 1
1 412 . 4 1 1 A 39 39 ARG N N 39 126.442 127.697 -1.255 1
1 413 . 4 1 1 A 40 40 VAL H H 40 9.059 8.824 0.235 1
1 414 . 4 1 1 A 40 40 VAL HA H 40 5.177 4.698 0.479 1
1 422 . 4 1 1 A 40 40 VAL C C 40 175.508 175.660 -0.152 1
1 423 . 4 1 1 A 40 40 VAL CA C 40 60.513 62.166 -1.653 1
1 424 . 4 1 1 A 40 40 VAL CB C 40 33.390 32.221 1.169 1
1 427 . 4 1 1 A 40 40 VAL N N 40 127.219 126.480 0.739 1
1 428 . 4 1 1 A 41 41 THR H H 41 9.244 8.957 0.287 1
1 429 . 4 1 1 A 41 41 THR HA H 41 5.056 5.266 -0.210 1
1 434 . 4 1 1 A 41 41 THR C C 41 173.323 173.288 0.035 1
1 435 . 4 1 1 A 41 41 THR CA C 41 59.618 60.521 -0.903 1
1 436 . 4 1 1 A 41 41 THR CB C 41 71.668 71.279 0.389 1
1 438 . 4 1 1 A 41 41 THR N N 41 117.579 117.742 -0.163 1
1 439 . 4 1 1 A 42 42 TYR H H 42 7.955 8.188 -0.233 1
1 440 . 4 1 1 A 42 42 TYR HA H 42 5.825 6.110 -0.285 1
1 447 . 4 1 1 A 42 42 TYR C C 42 173.794 173.551 0.243 1
1 448 . 4 1 1 A 42 42 TYR CA C 42 54.314 55.176 -0.862 1
1 449 . 4 1 1 A 42 42 TYR CB C 42 39.788 42.156 -2.368 1
1 454 . 4 1 1 A 42 42 TYR N N 42 117.304 119.491 -2.187 1
1 455 . 4 1 1 A 43 43 VAL H H 43 8.547 8.946 -0.399 1
1 456 . 4 1 1 A 43 43 VAL HA H 43 5.069 4.632 0.437 1
1 464 . 4 1 1 A 43 43 VAL C C 43 174.912 174.052 0.860 1
1 465 . 4 1 1 A 43 43 VAL CA C 43 60.142 60.524 -0.382 1
1 466 . 4 1 1 A 43 43 VAL CB C 43 35.329 35.183 0.146 1
1 469 . 4 1 1 A 43 43 VAL N N 43 119.038 120.731 -1.693 1
1 470 . 4 1 1 A 44 44 SER H H 44 9.123 8.622 0.501 1
1 471 . 4 1 1 A 44 44 SER HA H 44 4.307 3.715 0.592 1
1 474 . 4 1 1 A 44 44 SER C C 44 176.777 175.885 0.892 1
1 475 . 4 1 1 A 44 44 SER CA C 44 57.838 57.318 0.520 1
1 476 . 4 1 1 A 44 44 SER CB C 44 64.064 65.098 -1.034 1
1 477 . 4 1 1 A 44 44 SER N N 44 124.942 119.609 5.333 1
1 478 . 4 1 1 A 45 45 SER H H 45 8.562 8.320 0.242 1
1 479 . 4 1 1 A 45 45 SER HA H 45 4.175 4.193 -0.018 1
1 482 . 4 1 1 A 45 45 SER C C 45 175.366 175.538 -0.172 1
1 483 . 4 1 1 A 45 45 SER CA C 45 61.239 60.377 0.862 1
1 484 . 4 1 1 A 45 45 SER CB C 45 62.976 63.483 -0.507 1
1 485 . 4 1 1 A 45 45 SER N N 45 119.157 115.060 4.097 1
1 486 . 4 1 1 A 46 46 GLU H H 46 8.321 7.744 0.577 1
1 487 . 4 1 1 A 46 46 GLU HA H 46 4.442 4.371 0.071 1
1 492 . 4 1 1 A 46 46 GLU C C 46 177.463 175.669 1.794 1
1 493 . 4 1 1 A 46 46 GLU CA C 46 56.409 56.102 0.307 1
1 494 . 4 1 1 A 46 46 GLU CB C 46 29.633 29.380 0.253 1
1 496 . 4 1 1 A 46 46 GLU N N 46 119.112 117.969 1.143 1
1 497 . 4 1 1 A 47 47 GLY H H 47 8.129 7.951 0.178 1
1 498 . 4 1 1 A 47 47 GLY HA2 H 47 4.150 3.860 0.290 1
1 499 . 4 1 1 A 47 47 GLY HA3 H 47 3.646 3.870 -0.224 1
1 500 . 4 1 1 A 47 47 GLY C C 47 175.047 174.535 0.512 1
1 501 . 4 1 1 A 47 47 GLY CA C 47 45.400 46.876 -1.476 1
1 502 . 4 1 1 A 47 47 GLY N N 47 109.344 109.140 0.204 1
1 503 . 4 1 1 A 48 48 GLY H H 48 7.927 7.721 0.206 1
1 504 . 4 1 1 A 48 48 GLY HA2 H 48 3.982 4.187 -0.205 1
1 505 . 4 1 1 A 48 48 GLY HA3 H 48 3.855 4.199 -0.344 1
1 506 . 4 1 1 A 48 48 GLY C C 48 173.614 172.747 0.867 1
1 507 . 4 1 1 A 48 48 GLY CA C 48 46.073 46.306 -0.233 1
1 508 . 4 1 1 A 48 48 GLY N N 48 107.840 110.368 -2.528 1
1 509 . 4 1 1 A 49 49 HIS H H 49 7.985 8.246 -0.261 1
1 510 . 4 1 1 A 49 49 HIS HA H 49 4.951 4.767 0.184 1
1 515 . 4 1 1 A 49 49 HIS C C 49 173.760 174.315 -0.555 1
1 516 . 4 1 1 A 49 49 HIS CA C 49 56.608 56.378 0.230 1
1 517 . 4 1 1 A 49 49 HIS CB C 49 33.119 30.220 2.899 1
1 520 . 4 1 1 A 49 49 HIS N N 49 120.577 122.474 -1.897 1
1 521 . 4 1 1 A 50 50 SER H H 50 8.118 8.678 -0.560 1
1 522 . 4 1 1 A 50 50 SER HA H 50 5.184 5.055 0.129 1
1 525 . 4 1 1 A 50 50 SER C C 50 172.582 173.173 -0.591 1
1 526 . 4 1 1 A 50 50 SER CA C 50 56.463 56.874 -0.411 1
1 527 . 4 1 1 A 50 50 SER CB C 50 66.423 66.865 -0.442 1
1 528 . 4 1 1 A 50 50 SER N N 50 120.879 124.031 -3.152 1
1 529 . 4 1 1 A 51 51 GLY H H 51 7.900 8.206 -0.306 1
1 530 . 4 1 1 A 51 51 GLY HA2 H 51 4.027 3.379 0.648 1
1 531 . 4 1 1 A 51 51 GLY HA3 H 51 3.236 4.077 -0.841 1
1 532 . 4 1 1 A 51 51 GLY C C 51 171.073 171.671 -0.598 1
1 533 . 4 1 1 A 51 51 GLY CA C 51 44.696 44.685 0.011 1
1 534 . 4 1 1 A 51 51 GLY N N 51 108.215 108.491 -0.276 1
1 535 . 4 1 1 A 52 52 GLN H H 52 8.256 8.420 -0.164 1
1 536 . 4 1 1 A 52 52 GLN HA H 52 5.308 5.270 0.038 1
1 543 . 4 1 1 A 52 52 GLN C C 52 174.217 173.680 0.537 1
1 544 . 4 1 1 A 52 52 GLN CA C 52 54.516 55.361 -0.845 1
1 545 . 4 1 1 A 52 52 GLN CB C 52 32.541 32.406 0.135 1
1 547 . 4 1 1 A 52 52 GLN N N 52 115.667 118.922 -3.255 1
1 549 . 4 1 1 A 53 53 THR H H 53 9.298 9.039 0.259 1
1 550 . 4 1 1 A 53 53 THR HA H 53 4.753 5.223 -0.470 1
1 555 . 4 1 1 A 53 53 THR C C 53 171.720 172.655 -0.935 1
1 556 . 4 1 1 A 53 53 THR CA C 53 60.869 59.407 1.462 1
1 557 . 4 1 1 A 53 53 THR CB C 53 70.580 72.585 -2.005 1
1 559 . 4 1 1 A 53 53 THR N N 53 117.486 119.936 -2.450 1
1 560 . 4 1 1 A 54 54 GLU H H 54 8.404 8.553 -0.149 1
1 561 . 4 1 1 A 54 54 GLU HA H 54 5.378 5.427 -0.049 1
1 566 . 4 1 1 A 54 54 GLU C C 54 174.705 175.496 -0.791 1
1 567 . 4 1 1 A 54 54 GLU CA C 54 54.693 54.870 -0.177 1
1 568 . 4 1 1 A 54 54 GLU CB C 54 33.434 33.288 0.146 1
1 570 . 4 1 1 A 54 54 GLU N N 54 123.651 123.441 0.210 1
1 571 . 4 1 1 A 55 55 ALA H H 55 9.471 8.807 0.664 1
1 572 . 4 1 1 A 55 55 ALA HA H 55 5.056 4.905 0.151 1
1 576 . 4 1 1 A 55 55 ALA C C 55 172.938 174.163 -1.225 1
1 577 . 4 1 1 A 55 55 ALA CA C 55 49.216 49.928 -0.712 1
1 578 . 4 1 1 A 55 55 ALA CB C 55 20.410 21.908 -1.498 1
1 579 . 4 1 1 A 55 55 ALA N N 55 126.815 123.150 3.665 1
1 580 . 4 1 1 A 56 56 PRO HA H 56 4.630 4.654 -0.024 1
1 587 . 4 1 1 A 56 56 PRO C C 56 176.935 177.457 -0.522 1
1 588 . 4 1 1 A 56 56 PRO CA C 56 62.303 62.580 -0.277 1
1 589 . 4 1 1 A 56 56 PRO CB C 56 32.745 32.714 0.031 1
1 592 . 4 1 1 A 57 57 GLY H H 57 8.240 8.648 -0.408 1
1 593 . 4 1 1 A 57 57 GLY HA2 H 57 3.839 3.902 -0.063 1
1 594 . 4 1 1 A 57 57 GLY HA3 H 57 3.547 3.947 -0.400 1
1 595 . 4 1 1 A 57 57 GLY C C 57 173.839 175.026 -1.187 1
1 596 . 4 1 1 A 57 57 GLY CA C 57 47.092 46.883 0.209 1
1 597 . 4 1 1 A 57 57 GLY N N 57 104.338 109.862 -5.524 1
1 598 . 4 1 1 A 58 58 ASN H H 58 7.935 8.313 -0.378 1
1 599 . 4 1 1 A 58 58 ASN HA H 58 4.778 4.730 0.048 1
1 604 . 4 1 1 A 58 58 ASN C C 58 175.578 175.687 -0.109 1
1 605 . 4 1 1 A 58 58 ASN CA C 58 52.176 53.668 -1.492 1
1 606 . 4 1 1 A 58 58 ASN CB C 58 37.384 38.355 -0.971 1
1 607 . 4 1 1 A 58 58 ASN N N 58 114.653 115.554 -0.901 1
1 609 . 4 1 1 A 59 59 ALA H H 59 8.041 7.652 0.389 1
1 610 . 4 1 1 A 59 59 ALA HA H 59 4.360 4.276 0.084 1
1 614 . 4 1 1 A 59 59 ALA C C 59 177.738 178.071 -0.333 1
1 615 . 4 1 1 A 59 59 ALA CA C 59 52.792 52.084 0.708 1
1 616 . 4 1 1 A 59 59 ALA CB C 59 20.834 19.277 1.557 1
1 617 . 4 1 1 A 59 59 ALA N N 59 124.183 123.368 0.815 1
1 618 . 4 1 1 A 60 60 THR H H 60 8.274 8.568 -0.294 1
1 619 . 4 1 1 A 60 60 THR HA H 60 3.299 3.449 -0.150 1
1 624 . 4 1 1 A 60 60 THR C C 60 171.681 172.696 -1.015 1
1 625 . 4 1 1 A 60 60 THR CA C 60 59.732 59.842 -0.110 1
1 626 . 4 1 1 A 60 60 THR CB C 60 69.010 68.338 0.672 1
1 628 . 4 1 1 A 60 60 THR N N 60 108.095 112.832 -4.737 1
1 629 . 4 1 1 A 61 61 SER H H 61 6.728 7.310 -0.582 1
1 630 . 4 1 1 A 61 61 SER HA H 61 4.584 4.944 -0.360 1
1 633 . 4 1 1 A 61 61 SER C C 61 172.948 172.985 -0.037 1
1 634 . 4 1 1 A 61 61 SER CA C 61 57.403 57.456 -0.053 1
1 635 . 4 1 1 A 61 61 SER CB C 61 65.767 65.327 0.440 1
1 636 . 4 1 1 A 61 61 SER N N 61 110.991 113.085 -2.094 1
1 637 . 4 1 1 A 62 62 ALA H H 62 8.954 8.772 0.182 1
1 638 . 4 1 1 A 62 62 ALA HA H 62 4.581 5.037 -0.456 1
1 642 . 4 1 1 A 62 62 ALA C C 62 174.741 176.259 -1.518 1
1 643 . 4 1 1 A 62 62 ALA CA C 62 51.949 51.683 0.266 1
1 644 . 4 1 1 A 62 62 ALA CB C 62 21.659 23.466 -1.807 1
1 645 . 4 1 1 A 62 62 ALA N N 62 119.306 122.182 -2.876 1
1 646 . 4 1 1 A 63 63 MET H H 63 8.599 8.545 0.054 1
1 647 . 4 1 1 A 63 63 MET HA H 63 4.993 5.016 -0.023 1
1 655 . 4 1 1 A 63 63 MET C C 63 175.386 175.217 0.169 1
1 656 . 4 1 1 A 63 63 MET CA C 63 53.760 54.306 -0.546 1
1 657 . 4 1 1 A 63 63 MET CB C 63 31.842 34.536 -2.694 1
1 660 . 4 1 1 A 63 63 MET N N 63 120.537 119.132 1.405 1
1 661 . 4 1 1 A 64 64 LEU H H 64 9.244 8.383 0.861 1
1 662 . 4 1 1 A 64 64 LEU HA H 64 4.494 4.939 -0.445 1
1 672 . 4 1 1 A 64 64 LEU C C 64 175.976 175.501 0.475 1
1 673 . 4 1 1 A 64 64 LEU CA C 64 52.988 53.015 -0.027 1
1 674 . 4 1 1 A 64 64 LEU CB C 64 42.785 45.610 -2.825 1
1 678 . 4 1 1 A 64 64 LEU N N 64 124.823 121.063 3.760 1
1 679 . 4 1 1 A 65 65 GLY H H 65 7.516 8.230 -0.714 1
1 680 . 4 1 1 A 65 65 GLY HA2 H 65 4.505 4.090 0.415 1
1 681 . 4 1 1 A 65 65 GLY HA3 H 65 3.237 4.090 -0.853 1
1 682 . 4 1 1 A 65 65 GLY C C 65 170.608 172.287 -1.679 1
1 683 . 4 1 1 A 65 65 GLY CA C 65 44.505 44.562 -0.057 1
1 684 . 4 1 1 A 65 65 GLY N N 65 106.855 108.449 -1.594 1
1 685 . 4 1 1 A 66 66 PRO HA H 66 4.626 4.825 -0.199 1
1 692 . 4 1 1 A 66 66 PRO C C 66 176.262 176.734 -0.472 1
1 693 . 4 1 1 A 66 66 PRO CA C 66 62.542 62.887 -0.345 1
1 694 . 4 1 1 A 66 66 PRO CB C 66 34.107 31.978 2.129 1
1 697 . 4 1 1 A 67 67 LEU H H 67 8.487 8.511 -0.024 1
1 698 . 4 1 1 A 67 67 LEU HA H 67 4.586 4.795 -0.209 1
1 708 . 4 1 1 A 67 67 LEU C C 67 176.158 176.316 -0.158 1
1 709 . 4 1 1 A 67 67 LEU CA C 67 52.335 53.287 -0.952 1
1 710 . 4 1 1 A 67 67 LEU CB C 67 43.440 42.710 0.730 1
1 714 . 4 1 1 A 67 67 LEU N N 67 124.582 123.237 1.345 1
1 715 . 4 1 1 A 68 68 SER H H 68 8.958 8.987 -0.029 1
1 716 . 4 1 1 A 68 68 SER HA H 68 4.529 4.913 -0.384 1
1 719 . 4 1 1 A 68 68 SER C C 68 174.360 174.251 0.109 1
1 720 . 4 1 1 A 68 68 SER CA C 68 58.649 57.401 1.248 1
1 721 . 4 1 1 A 68 68 SER CB C 68 64.239 65.427 -1.188 1
1 722 . 4 1 1 A 68 68 SER N N 68 117.670 117.301 0.369 1
1 723 . 4 1 1 A 69 69 SER H H 69 8.511 8.724 -0.213 1
1 724 . 4 1 1 A 69 69 SER HA H 69 5.085 5.248 -0.163 1
1 727 . 4 1 1 A 69 69 SER C C 69 175.660 174.076 1.584 1
1 728 . 4 1 1 A 69 69 SER CA C 69 59.071 56.452 2.619 1
1 729 . 4 1 1 A 69 69 SER CB C 69 64.439 65.755 -1.316 1
1 730 . 4 1 1 A 69 69 SER N N 69 119.760 114.681 5.079 1
1 731 . 4 1 1 A 70 70 SER H H 70 7.974 9.029 -1.055 1
1 732 . 4 1 1 A 70 70 SER HA H 70 3.799 4.139 -0.340 1
1 735 . 4 1 1 A 70 70 SER C C 70 173.645 173.015 0.630 1
1 736 . 4 1 1 A 70 70 SER CA C 70 58.453 59.198 -0.745 1
1 737 . 4 1 1 A 70 70 SER CB C 70 62.477 61.984 0.493 1
1 738 . 4 1 1 A 70 70 SER N N 70 121.170 116.237 4.933 1
1 739 . 4 1 1 A 71 71 THR H H 71 8.325 7.702 0.623 1
1 740 . 4 1 1 A 71 71 THR HA H 71 4.482 4.747 -0.265 1
1 745 . 4 1 1 A 71 71 THR C C 71 171.950 173.539 -1.589 1
1 746 . 4 1 1 A 71 71 THR CA C 71 62.453 61.543 0.910 1
1 747 . 4 1 1 A 71 71 THR CB C 71 72.120 71.432 0.688 1
1 749 . 4 1 1 A 71 71 THR N N 71 115.265 114.774 0.491 1
1 750 . 4 1 1 A 72 72 THR H H 72 8.963 8.836 0.127 1
1 751 . 4 1 1 A 72 72 THR HA H 72 5.044 4.821 0.223 1
1 756 . 4 1 1 A 72 72 THR C C 72 173.198 174.003 -0.805 1
1 757 . 4 1 1 A 72 72 THR CA C 72 62.216 63.043 -0.827 1
1 758 . 4 1 1 A 72 72 THR CB C 72 69.392 69.706 -0.314 1
1 760 . 4 1 1 A 72 72 THR N N 72 124.221 121.590 2.631 1
1 761 . 4 1 1 A 73 73 TYR H H 73 9.711 9.364 0.347 1
1 762 . 4 1 1 A 73 73 TYR HA H 73 4.852 5.450 -0.598 1
1 767 . 4 1 1 A 73 73 TYR C C 73 175.854 175.038 0.816 1
1 768 . 4 1 1 A 73 73 TYR CA C 73 57.596 56.441 1.155 1
1 769 . 4 1 1 A 73 73 TYR CB C 73 41.377 41.332 0.045 1
1 774 . 4 1 1 A 73 73 TYR N N 73 126.553 125.754 0.799 1
1 775 . 4 1 1 A 74 74 THR H H 74 8.981 9.209 -0.228 1
1 776 . 4 1 1 A 74 74 THR HA H 74 4.648 4.658 -0.010 1
1 781 . 4 1 1 A 74 74 THR C C 74 174.296 174.345 -0.049 1
1 782 . 4 1 1 A 74 74 THR CA C 74 63.156 62.646 0.510 1
1 783 . 4 1 1 A 74 74 THR CB C 74 68.916 68.527 0.389 1
1 785 . 4 1 1 A 74 74 THR N N 74 118.190 119.519 -1.329 1
1 786 . 4 1 1 A 75 75 VAL H H 75 9.376 9.170 0.206 1
1 787 . 4 1 1 A 75 75 VAL HA H 75 4.951 4.537 0.414 1
1 795 . 4 1 1 A 75 75 VAL C C 75 173.554 175.115 -1.561 1
1 796 . 4 1 1 A 75 75 VAL CA C 75 61.004 62.066 -1.062 1
1 797 . 4 1 1 A 75 75 VAL CB C 75 34.541 32.541 2.000 1
1 800 . 4 1 1 A 75 75 VAL N N 75 130.973 128.314 2.659 1
1 801 . 4 1 1 A 76 76 ARG H H 76 9.023 8.593 0.430 1
1 802 . 4 1 1 A 76 76 ARG HA H 76 5.218 5.237 -0.019 1
1 809 . 4 1 1 A 76 76 ARG C C 76 175.034 174.786 0.248 1
1 810 . 4 1 1 A 76 76 ARG CA C 76 54.501 54.460 0.041 1
1 811 . 4 1 1 A 76 76 ARG CB C 76 32.621 32.543 0.078 1
1 814 . 4 1 1 A 76 76 ARG N N 76 126.030 124.479 1.551 1
1 815 . 4 1 1 A 77 77 VAL H H 77 9.155 8.799 0.356 1
1 816 . 4 1 1 A 77 77 VAL HA H 77 4.165 4.128 0.037 1
1 824 . 4 1 1 A 77 77 VAL C C 77 174.967 175.195 -0.228 1
1 825 . 4 1 1 A 77 77 VAL CA C 77 61.626 62.335 -0.709 1
1 826 . 4 1 1 A 77 77 VAL CB C 77 33.367 30.183 3.184 1
1 829 . 4 1 1 A 77 77 VAL N N 77 125.903 125.274 0.629 1
1 830 . 4 1 1 A 78 78 THR H H 78 9.313 8.299 1.014 1
1 831 . 4 1 1 A 78 78 THR HA H 78 5.121 4.562 0.559 1
1 836 . 4 1 1 A 78 78 THR C C 78 173.388 174.209 -0.821 1
1 837 . 4 1 1 A 78 78 THR CA C 78 61.286 63.120 -1.834 1
1 838 . 4 1 1 A 78 78 THR CB C 78 70.432 68.398 2.034 1
1 840 . 4 1 1 A 78 78 THR N N 78 126.547 123.755 2.792 1
1 841 . 4 1 1 A 79 79 CYS H H 79 8.807 9.040 -0.233 1
1 842 . 4 1 1 A 79 79 CYS HA H 79 4.410 4.864 -0.454 1
1 845 . 4 1 1 A 79 79 CYS C C 79 172.501 174.142 -1.641 1
1 846 . 4 1 1 A 79 79 CYS CA C 79 58.141 57.229 0.912 1
1 847 . 4 1 1 A 79 79 CYS CB C 79 28.102 28.067 0.035 1
1 848 . 4 1 1 A 79 79 CYS N N 79 125.160 126.061 -0.901 1
1 849 . 4 1 1 A 80 80 LEU H H 80 8.417 8.687 -0.270 1
1 850 . 4 1 1 A 80 80 LEU HA H 80 4.377 4.584 -0.207 1
1 860 . 4 1 1 A 80 80 LEU C C 80 175.846 176.369 -0.523 1
1 861 . 4 1 1 A 80 80 LEU CA C 80 54.400 54.487 -0.087 1
1 862 . 4 1 1 A 80 80 LEU CB C 80 41.520 42.455 -0.935 1
1 866 . 4 1 1 A 80 80 LEU N N 80 123.584 126.704 -3.120 1
1 867 . 4 1 1 A 81 81 TYR H H 81 8.090 8.517 -0.427 1
1 868 . 4 1 1 A 81 81 TYR HA H 81 5.085 4.725 0.360 1
1 875 . 4 1 1 A 81 81 TYR C C 81 175.341 176.029 -0.688 1
1 876 . 4 1 1 A 81 81 TYR CA C 81 55.561 56.876 -1.315 1
1 877 . 4 1 1 A 81 81 TYR CB C 81 36.792 38.941 -2.149 1
1 882 . 4 1 1 A 81 81 TYR N N 81 123.717 124.168 -0.451 1
1 883 . 4 1 1 A 82 82 PRO HA H 82 4.358 4.476 -0.118 1
1 890 . 4 1 1 A 82 82 PRO CA C 82 64.469 63.938 0.531 1
1 891 . 4 1 1 A 82 82 PRO CB C 82 31.395 31.986 -0.591 1
1 894 . 4 1 1 A 83 83 GLY HA2 H 83 4.164 4.156 0.008 1
1 895 . 4 1 1 A 83 83 GLY HA3 H 83 3.880 4.167 -0.287 1
1 896 . 4 1 1 A 83 83 GLY C C 83 174.832 173.701 1.131 1
1 897 . 4 1 1 A 83 83 GLY CA C 83 45.437 45.820 -0.383 1
1 898 . 4 1 1 A 84 84 GLY H H 84 7.641 8.534 -0.893 1
1 899 . 4 1 1 A 84 84 GLY HA2 H 84 4.581 4.044 0.537 1
1 900 . 4 1 1 A 84 84 GLY HA3 H 84 3.788 4.096 -0.308 1
1 901 . 4 1 1 A 84 84 GLY C C 84 174.354 173.625 0.729 1
1 902 . 4 1 1 A 84 84 GLY CA C 84 44.801 45.416 -0.615 1
1 903 . 4 1 1 A 84 84 GLY N N 84 107.816 111.860 -4.044 1
1 904 . 4 1 1 A 85 85 GLY H H 85 8.303 7.690 0.613 1
1 905 . 4 1 1 A 85 85 GLY HA2 H 85 4.322 4.091 0.231 1
1 906 . 4 1 1 A 85 85 GLY HA3 H 85 4.113 4.099 0.014 1
1 907 . 4 1 1 A 85 85 GLY C C 85 172.757 171.238 1.519 1
1 908 . 4 1 1 A 85 85 GLY CA C 85 44.602 45.949 -1.347 1
1 909 . 4 1 1 A 85 85 GLY N N 85 108.998 104.791 4.207 1
1 910 . 4 1 1 A 86 86 SER H H 86 8.361 8.272 0.089 1
1 911 . 4 1 1 A 86 86 SER HA H 86 5.024 3.991 1.033 1
1 914 . 4 1 1 A 86 86 SER C C 86 173.484 171.794 1.690 1
1 915 . 4 1 1 A 86 86 SER CA C 86 57.738 57.127 0.611 1
1 916 . 4 1 1 A 86 86 SER CB C 86 66.693 65.478 1.215 1
1 917 . 4 1 1 A 86 86 SER N N 86 111.910 115.399 -3.489 1
1 918 . 4 1 1 A 87 87 SER H H 87 8.105 8.095 0.010 1
1 919 . 4 1 1 A 87 87 SER HA H 87 4.827 5.259 -0.432 1
1 922 . 4 1 1 A 87 87 SER C C 87 173.377 173.341 0.036 1
1 923 . 4 1 1 A 87 87 SER CA C 87 57.737 56.815 0.922 1
1 924 . 4 1 1 A 87 87 SER CB C 87 65.849 66.086 -0.237 1
1 925 . 4 1 1 A 87 87 SER N N 87 112.598 114.648 -2.050 1
1 926 . 4 1 1 A 88 88 THR H H 88 8.778 9.029 -0.251 1
1 927 . 4 1 1 A 88 88 THR HA H 88 5.439 4.755 0.684 1
1 932 . 4 1 1 A 88 88 THR C C 88 173.289 173.601 -0.312 1
1 933 . 4 1 1 A 88 88 THR CA C 88 62.083 61.490 0.593 1
1 934 . 4 1 1 A 88 88 THR CB C 88 72.001 69.237 2.764 1
1 936 . 4 1 1 A 88 88 THR N N 88 120.383 120.318 0.065 1
1 937 . 4 1 1 A 89 89 LEU H H 89 8.832 8.607 0.225 1
1 938 . 4 1 1 A 89 89 LEU HA H 89 4.766 4.757 0.009 1
1 948 . 4 1 1 A 89 89 LEU C C 89 175.440 176.386 -0.946 1
1 949 . 4 1 1 A 89 89 LEU CA C 89 53.671 53.692 -0.021 1
1 950 . 4 1 1 A 89 89 LEU CB C 89 45.972 41.378 4.594 1
1 954 . 4 1 1 A 89 89 LEU N N 89 128.653 128.186 0.467 1
1 955 . 4 1 1 A 90 90 THR H H 90 8.576 8.727 -0.151 1
1 956 . 4 1 1 A 90 90 THR HA H 90 5.622 5.319 0.303 1
1 961 . 4 1 1 A 90 90 THR C C 90 174.307 174.413 -0.106 1
1 962 . 4 1 1 A 90 90 THR CA C 90 60.799 60.886 -0.087 1
1 963 . 4 1 1 A 90 90 THR CB C 90 71.589 70.011 1.578 1
1 965 . 4 1 1 A 90 90 THR N N 90 115.259 117.237 -1.978 1
1 966 . 4 1 1 A 91 91 GLY H H 91 9.071 9.122 -0.051 1
1 967 . 4 1 1 A 91 91 GLY HA2 H 91 4.605 4.517 0.088 1
1 968 . 4 1 1 A 91 91 GLY HA3 H 91 3.960 4.640 -0.680 1
1 969 . 4 1 1 A 91 91 GLY C C 91 170.717 171.972 -1.255 1
1 970 . 4 1 1 A 91 91 GLY CA C 91 45.314 44.808 0.506 1
1 971 . 4 1 1 A 91 91 GLY N N 91 112.300 111.396 0.904 1
1 972 . 4 1 1 A 92 92 ARG H H 92 8.558 8.956 -0.398 1
1 973 . 4 1 1 A 92 92 ARG HA H 92 5.594 4.798 0.796 1
1 980 . 4 1 1 A 92 92 ARG C C 92 173.260 174.741 -1.481 1
1 981 . 4 1 1 A 92 92 ARG CA C 92 54.806 55.730 -0.924 1
1 982 . 4 1 1 A 92 92 ARG CB C 92 34.464 31.506 2.958 1
1 985 . 4 1 1 A 92 92 ARG N N 92 119.774 124.704 -4.930 1
1 986 . 4 1 1 A 93 93 VAL H H 93 8.430 8.442 -0.012 1
1 987 . 4 1 1 A 93 93 VAL HA H 93 4.081 4.699 -0.618 1
1 995 . 4 1 1 A 93 93 VAL C C 93 171.210 173.611 -2.401 1
1 996 . 4 1 1 A 93 93 VAL CA C 93 58.915 59.354 -0.439 1
1 997 . 4 1 1 A 93 93 VAL CB C 93 33.683 34.039 -0.356 1
1 1000 . 4 1 1 A 93 93 VAL N N 93 120.381 121.422 -1.041 1
1 1001 . 4 1 1 A 94 94 THR H H 94 8.129 8.725 -0.596 1
1 1002 . 4 1 1 A 94 94 THR HA H 94 5.342 4.839 0.503 1
1 1007 . 4 1 1 A 94 94 THR C C 94 174.637 174.603 0.034 1
1 1008 . 4 1 1 A 94 94 THR CA C 94 60.799 62.096 -1.297 1
1 1009 . 4 1 1 A 94 94 THR CB C 94 70.768 69.607 1.161 1
1 1011 . 4 1 1 A 94 94 THR N N 94 124.645 123.182 1.463 1
1 1012 . 4 1 1 A 95 95 THR H H 95 8.906 8.669 0.237 1
1 1013 . 4 1 1 A 95 95 THR HA H 95 4.115 4.344 -0.229 1
1 1018 . 4 1 1 A 95 95 THR C C 95 175.367 174.470 0.897 1
1 1019 . 4 1 1 A 95 95 THR CA C 95 60.909 62.104 -1.195 1
1 1020 . 4 1 1 A 95 95 THR CB C 95 70.346 70.036 0.310 1
1 1022 . 4 1 1 A 95 95 THR N N 95 116.835 120.324 -3.489 1
1 1023 . 4 1 1 A 96 96 LYS H H 96 7.372 8.659 -1.287 1
1 1024 . 4 1 1 A 96 96 LYS HA H 96 4.189 4.371 -0.182 1
1 1033 . 4 1 1 A 96 96 LYS C C 96 176.308 177.104 -0.796 1
1 1034 . 4 1 1 A 96 96 LYS CA C 96 55.207 56.304 -1.097 1
1 1035 . 4 1 1 A 96 96 LYS CB C 96 34.095 33.516 0.579 1
1 1039 . 4 1 1 A 96 96 LYS N N 96 116.829 122.825 -5.996 1
1 1040 . 4 1 1 A 97 97 LYS H H 97 8.113 8.540 -0.427 1
1 1041 . 4 1 1 A 97 97 LYS HA H 97 4.356 4.520 -0.164 1
1 1050 . 4 1 1 A 97 97 LYS C C 97 176.106 176.809 -0.703 1
1 1051 . 4 1 1 A 97 97 LYS CA C 97 56.260 55.983 0.277 1
1 1052 . 4 1 1 A 97 97 LYS CB C 97 33.140 33.643 -0.503 1
1 1056 . 4 1 1 A 97 97 LYS N N 97 119.233 121.198 -1.965 1
1 1057 . 4 1 1 A 98 98 ALA H H 98 8.484 8.520 -0.036 1
1 1058 . 4 1 1 A 98 98 ALA HA H 98 4.054 3.898 0.156 1
1 1062 . 4 1 1 A 98 98 ALA C C 98 175.754 175.440 0.314 1
1 1063 . 4 1 1 A 98 98 ALA CA C 98 50.511 50.460 0.051 1
1 1064 . 4 1 1 A 98 98 ALA CB C 98 17.093 18.140 -1.047 1
1 1065 . 4 1 1 A 98 98 ALA N N 98 126.424 126.528 -0.104 1
1 1066 . 4 1 1 A 99 99 PRO HA H 99 4.313 4.415 -0.102 1
1 1073 . 4 1 1 A 99 99 PRO C C 99 176.506 176.408 0.098 1
1 1074 . 4 1 1 A 99 99 PRO CA C 99 62.584 62.364 0.220 1
1 1075 . 4 1 1 A 99 99 PRO CB C 99 32.024 31.814 0.210 1
1 1078 . 4 1 1 A 100 100 SER H H 100 8.377 8.359 0.018 1
1 1079 . 4 1 1 A 100 100 SER HA H 100 4.688 4.636 0.052 1
1 1082 . 4 1 1 A 100 100 SER CA C 100 56.296 56.726 -0.430 1
1 1083 . 4 1 1 A 100 100 SER CB C 100 63.276 62.526 0.750 1
1 1084 . 4 1 1 A 100 100 SER N N 100 117.700 115.222 2.478 1
1 1086 . 4 1 1 A 103 103 SER HA H 103 4.507 5.110 -0.603 1
1 1089 . 4 1 1 A 103 103 SER CA C 103 58.198 57.398 0.800 1
1 1090 . 4 1 1 A 103 103 SER CB C 103 63.882 65.627 -1.745 1
1 1091 . 4 1 1 A 104 104 GLY H H 104 8.233 8.821 -0.588 1
1 1092 . 4 1 1 A 104 104 GLY HA2 H 104 4.124 4.064 0.060 1
1 1093 . 4 1 1 A 104 104 GLY HA3 H 104 4.124 4.064 0.060 1
1 1094 . 4 1 1 A 104 104 GLY CA C 104 44.608 44.288 0.320 1
1 1095 . 4 1 1 A 104 104 GLY N N 104 110.600 113.341 -2.741 1
1 1096 . 4 1 1 A 105 105 PRO HA H 105 4.460 4.685 -0.225 1
1 1103 . 4 1 1 A 105 105 PRO CA C 105 63.264 62.818 0.446 1
1 1104 . 4 1 1 A 105 105 PRO CB C 105 32.094 33.024 -0.930 1
1 1 . 5 1 1 A 6 6 SER HA H 6 4.470 5.428 -0.958 1
1 3 . 5 1 1 A 6 6 SER C C 6 175.031 173.401 1.630 1
1 4 . 5 1 1 A 6 6 SER CA C 6 58.687 56.647 2.040 1
1 5 . 5 1 1 A 6 6 SER CB C 6 63.635 64.587 -0.952 1
1 6 . 5 1 1 A 7 7 GLY H H 7 8.390 8.361 0.029 1
1 7 . 5 1 1 A 7 7 GLY HA2 H 7 3.941 4.131 -0.190 1
1 8 . 5 1 1 A 7 7 GLY HA3 H 7 3.941 4.131 -0.190 1
1 9 . 5 1 1 A 7 7 GLY C C 7 173.892 172.745 1.147 1
1 10 . 5 1 1 A 7 7 GLY CA C 7 45.348 45.657 -0.309 1
1 11 . 5 1 1 A 7 7 GLY N N 7 110.659 110.276 0.383 1
1 12 . 5 1 1 A 8 8 LEU H H 8 8.017 8.683 -0.666 1
1 13 . 5 1 1 A 8 8 LEU HA H 8 4.347 4.267 0.080 1
1 23 . 5 1 1 A 8 8 LEU C C 8 176.816 176.941 -0.125 1
1 24 . 5 1 1 A 8 8 LEU CA C 8 54.760 56.111 -1.351 1
1 25 . 5 1 1 A 8 8 LEU CB C 8 42.565 42.258 0.307 1
1 29 . 5 1 1 A 8 8 LEU N N 8 121.546 126.495 -4.949 1
1 30 . 5 1 1 A 9 9 ALA H H 9 8.291 8.644 -0.353 1
1 31 . 5 1 1 A 9 9 ALA HA H 9 4.589 4.766 -0.177 1
1 35 . 5 1 1 A 9 9 ALA C C 9 174.928 174.055 0.873 1
1 36 . 5 1 1 A 9 9 ALA CA C 9 50.381 49.980 0.401 1
1 37 . 5 1 1 A 9 9 ALA CB C 9 18.293 22.441 -4.148 1
1 38 . 5 1 1 A 9 9 ALA N N 9 126.618 122.499 4.119 1
1 39 . 5 1 1 A 10 10 PRO HA H 10 4.708 4.684 0.024 1
1 45 . 5 1 1 A 10 10 PRO CA C 10 61.347 62.254 -0.907 1
1 46 . 5 1 1 A 10 10 PRO CB C 10 30.783 31.760 -0.977 1
1 49 . 5 1 1 A 11 11 PRO HA H 11 4.442 4.423 0.019 1
1 56 . 5 1 1 A 11 11 PRO C C 11 176.585 176.703 -0.118 1
1 57 . 5 1 1 A 11 11 PRO CA C 11 63.016 65.121 -2.105 1
1 58 . 5 1 1 A 11 11 PRO CB C 11 32.096 32.118 -0.022 1
1 61 . 5 1 1 A 12 12 ARG H H 12 8.348 7.683 0.665 1
1 62 . 5 1 1 A 12 12 ARG HA H 12 4.405 5.053 -0.648 1
1 69 . 5 1 1 A 12 12 ARG C C 12 175.204 174.627 0.577 1
1 70 . 5 1 1 A 12 12 ARG CA C 12 55.797 54.225 1.572 1
1 71 . 5 1 1 A 12 12 ARG CB C 12 32.052 35.235 -3.183 1
1 74 . 5 1 1 A 12 12 ARG N N 12 120.519 117.736 2.783 1
1 75 . 5 1 1 A 13 13 HIS H H 13 8.296 8.801 -0.505 1
1 76 . 5 1 1 A 13 13 HIS HA H 13 4.815 5.048 -0.233 1
1 81 . 5 1 1 A 13 13 HIS C C 13 174.544 175.304 -0.760 1
1 82 . 5 1 1 A 13 13 HIS CA C 13 55.783 55.192 0.591 1
1 83 . 5 1 1 A 13 13 HIS CB C 13 32.469 32.216 0.253 1
1 86 . 5 1 1 A 13 13 HIS N N 13 118.569 117.383 1.186 1
1 87 . 5 1 1 A 14 14 LEU H H 14 8.209 8.407 -0.198 1
1 88 . 5 1 1 A 14 14 LEU HA H 14 4.655 4.792 -0.137 1
1 98 . 5 1 1 A 14 14 LEU C C 14 175.977 176.000 -0.023 1
1 99 . 5 1 1 A 14 14 LEU CA C 14 53.935 53.715 0.220 1
1 100 . 5 1 1 A 14 14 LEU CB C 14 44.113 42.913 1.200 1
1 104 . 5 1 1 A 14 14 LEU N N 14 120.625 122.339 -1.714 1
1 105 . 5 1 1 A 15 15 GLY H H 15 7.988 7.567 0.421 1
1 106 . 5 1 1 A 15 15 GLY HA2 H 15 4.008 3.012 0.996 1
1 107 . 5 1 1 A 15 15 GLY HA3 H 15 2.486 3.895 -1.409 1
1 108 . 5 1 1 A 15 15 GLY C C 15 170.056 170.999 -0.943 1
1 109 . 5 1 1 A 15 15 GLY CA C 15 43.188 44.063 -0.875 1
1 110 . 5 1 1 A 15 15 GLY N N 15 111.142 107.504 3.638 1
1 111 . 5 1 1 A 16 16 PHE H H 16 8.078 8.919 -0.841 1
1 112 . 5 1 1 A 16 16 PHE HA H 16 5.830 5.424 0.406 1
1 120 . 5 1 1 A 16 16 PHE C C 16 175.968 174.459 1.509 1
1 121 . 5 1 1 A 16 16 PHE CA C 16 56.048 56.366 -0.318 1
1 122 . 5 1 1 A 16 16 PHE CB C 16 43.353 41.228 2.125 1
1 128 . 5 1 1 A 16 16 PHE N N 16 114.388 124.215 -9.827 1
1 129 . 5 1 1 A 17 17 SER H H 17 9.811 8.960 0.851 1
1 130 . 5 1 1 A 17 17 SER HA H 17 4.883 5.026 -0.143 1
1 133 . 5 1 1 A 17 17 SER C C 17 171.638 173.520 -1.882 1
1 134 . 5 1 1 A 17 17 SER CA C 17 57.073 56.596 0.477 1
1 135 . 5 1 1 A 17 17 SER CB C 17 66.893 66.595 0.298 1
1 136 . 5 1 1 A 17 17 SER N N 17 118.688 117.834 0.854 1
1 137 . 5 1 1 A 18 18 ASP H H 18 9.001 8.993 0.008 1
1 138 . 5 1 1 A 18 18 ASP HA H 18 4.171 4.206 -0.035 1
1 141 . 5 1 1 A 18 18 ASP C C 18 174.520 175.208 -0.688 1
1 142 . 5 1 1 A 18 18 ASP CA C 18 55.333 55.089 0.244 1
1 143 . 5 1 1 A 18 18 ASP CB C 18 40.075 40.361 -0.286 1
1 144 . 5 1 1 A 18 18 ASP N N 18 116.878 125.286 -8.408 1
1 145 . 5 1 1 A 19 19 VAL H H 19 8.202 7.970 0.232 1
1 146 . 5 1 1 A 19 19 VAL HA H 19 4.169 4.000 0.169 1
1 154 . 5 1 1 A 19 19 VAL C C 19 176.641 175.374 1.267 1
1 155 . 5 1 1 A 19 19 VAL CA C 19 63.962 63.247 0.715 1
1 156 . 5 1 1 A 19 19 VAL CB C 19 31.236 31.464 -0.228 1
1 159 . 5 1 1 A 19 19 VAL N N 19 117.253 120.293 -3.040 1
1 160 . 5 1 1 A 20 20 SER H H 20 9.066 8.507 0.559 1
1 161 . 5 1 1 A 20 20 SER HA H 20 5.061 4.714 0.347 1
1 164 . 5 1 1 A 20 20 SER C C 20 174.081 175.569 -1.488 1
1 165 . 5 1 1 A 20 20 SER CA C 20 55.582 55.572 0.010 1
1 166 . 5 1 1 A 20 20 SER CB C 20 65.090 65.615 -0.525 1
1 167 . 5 1 1 A 20 20 SER N N 20 126.686 121.815 4.871 1
1 168 . 5 1 1 A 21 21 HIS H H 21 8.635 8.358 0.277 1
1 169 . 5 1 1 A 21 21 HIS HA H 21 4.895 4.716 0.179 1
1 174 . 5 1 1 A 21 21 HIS C C 21 175.242 175.525 -0.283 1
1 175 . 5 1 1 A 21 21 HIS CA C 21 56.934 56.911 0.023 1
1 176 . 5 1 1 A 21 21 HIS CB C 21 30.651 29.925 0.726 1
1 179 . 5 1 1 A 21 21 HIS N N 21 117.241 121.678 -4.437 1
1 180 . 5 1 1 A 22 22 ASP H H 22 7.400 7.719 -0.319 1
1 181 . 5 1 1 A 22 22 ASP HA H 22 4.803 5.100 -0.297 1
1 184 . 5 1 1 A 22 22 ASP C C 22 176.754 174.956 1.798 1
1 185 . 5 1 1 A 22 22 ASP CA C 22 52.316 53.260 -0.944 1
1 186 . 5 1 1 A 22 22 ASP CB C 22 41.697 41.848 -0.151 1
1 187 . 5 1 1 A 22 22 ASP N N 22 115.766 115.904 -0.138 1
1 188 . 5 1 1 A 23 23 ALA H H 23 7.379 7.469 -0.090 1
1 189 . 5 1 1 A 23 23 ALA HA H 23 4.753 4.556 0.197 1
1 193 . 5 1 1 A 23 23 ALA C C 23 174.757 175.002 -0.245 1
1 194 . 5 1 1 A 23 23 ALA CA C 23 51.613 51.568 0.045 1
1 195 . 5 1 1 A 23 23 ALA CB C 23 22.882 22.350 0.532 1
1 196 . 5 1 1 A 23 23 ALA N N 23 122.521 119.535 2.986 1
1 197 . 5 1 1 A 24 24 ALA H H 24 7.745 8.073 -0.328 1
1 198 . 5 1 1 A 24 24 ALA HA H 24 4.593 4.878 -0.285 1
1 202 . 5 1 1 A 24 24 ALA C C 24 173.662 174.940 -1.278 1
1 203 . 5 1 1 A 24 24 ALA CA C 24 52.233 51.679 0.554 1
1 204 . 5 1 1 A 24 24 ALA CB C 24 22.894 22.745 0.149 1
1 205 . 5 1 1 A 24 24 ALA N N 24 115.485 120.273 -4.788 1
1 206 . 5 1 1 A 25 25 ARG H H 25 8.690 8.783 -0.093 1
1 207 . 5 1 1 A 25 25 ARG HA H 25 5.209 4.857 0.352 1
1 214 . 5 1 1 A 25 25 ARG C C 25 174.777 174.673 0.104 1
1 215 . 5 1 1 A 25 25 ARG CA C 25 55.161 55.176 -0.015 1
1 216 . 5 1 1 A 25 25 ARG CB C 25 32.329 31.603 0.726 1
1 219 . 5 1 1 A 25 25 ARG N N 25 122.853 123.723 -0.870 1
1 220 . 5 1 1 A 26 26 VAL H H 26 8.865 8.969 -0.104 1
1 221 . 5 1 1 A 26 26 VAL HA H 26 5.120 4.850 0.270 1
1 229 . 5 1 1 A 26 26 VAL C C 26 172.428 175.115 -2.687 1
1 230 . 5 1 1 A 26 26 VAL CA C 26 57.420 60.262 -2.842 1
1 231 . 5 1 1 A 26 26 VAL CB C 26 34.734 34.259 0.475 1
1 234 . 5 1 1 A 26 26 VAL N N 26 125.534 127.593 -2.059 1
1 235 . 5 1 1 A 27 27 PHE H H 27 8.520 8.906 -0.386 1
1 236 . 5 1 1 A 27 27 PHE HA H 27 5.039 5.128 -0.089 1
1 244 . 5 1 1 A 27 27 PHE C C 27 172.979 172.686 0.293 1
1 245 . 5 1 1 A 27 27 PHE CA C 27 56.293 55.224 1.069 1
1 246 . 5 1 1 A 27 27 PHE CB C 27 42.190 42.033 0.157 1
1 252 . 5 1 1 A 27 27 PHE N N 27 123.552 122.253 1.299 1
1 253 . 5 1 1 A 28 28 TRP H H 28 7.813 7.858 -0.045 1
1 254 . 5 1 1 A 28 28 TRP HA H 28 5.058 5.524 -0.466 1
1 263 . 5 1 1 A 28 28 TRP C C 28 174.131 175.932 -1.801 1
1 264 . 5 1 1 A 28 28 TRP CA C 28 55.730 54.560 1.170 1
1 265 . 5 1 1 A 28 28 TRP CB C 28 30.997 32.582 -1.585 1
1 271 . 5 1 1 A 28 28 TRP N N 28 116.968 119.121 -2.153 1
1 273 . 5 1 1 A 29 29 GLU H H 29 8.362 9.123 -0.761 1
1 274 . 5 1 1 A 29 29 GLU HA H 29 4.356 4.513 -0.157 1
1 279 . 5 1 1 A 29 29 GLU C C 29 177.125 176.871 0.254 1
1 280 . 5 1 1 A 29 29 GLU CA C 29 55.820 56.243 -0.423 1
1 281 . 5 1 1 A 29 29 GLU CB C 29 31.085 29.784 1.301 1
1 283 . 5 1 1 A 29 29 GLU N N 29 119.239 118.123 1.116 1
1 284 . 5 1 1 A 30 30 GLY H H 30 8.729 8.303 0.426 1
1 285 . 5 1 1 A 30 30 GLY HA2 H 30 4.051 4.195 -0.144 1
1 286 . 5 1 1 A 30 30 GLY HA3 H 30 3.781 4.389 -0.608 1
1 287 . 5 1 1 A 30 30 GLY C C 30 173.621 173.105 0.516 1
1 288 . 5 1 1 A 30 30 GLY CA C 30 45.559 44.833 0.726 1
1 289 . 5 1 1 A 30 30 GLY N N 30 110.979 107.938 3.041 1
1 290 . 5 1 1 A 31 31 ALA H H 31 8.747 8.368 0.379 1
1 291 . 5 1 1 A 31 31 ALA HA H 31 4.577 4.826 -0.249 1
1 295 . 5 1 1 A 31 31 ALA C C 31 177.064 177.549 -0.485 1
1 296 . 5 1 1 A 31 31 ALA CA C 31 50.416 50.492 -0.076 1
1 297 . 5 1 1 A 31 31 ALA CB C 31 19.221 19.661 -0.440 1
1 298 . 5 1 1 A 31 31 ALA N N 31 126.357 123.502 2.855 1
1 299 . 5 1 1 A 32 32 PRO HA H 32 4.630 4.501 0.129 1
1 306 . 5 1 1 A 32 32 PRO C C 32 175.001 175.082 -0.081 1
1 307 . 5 1 1 A 32 32 PRO CA C 32 63.368 63.978 -0.610 1
1 308 . 5 1 1 A 32 32 PRO CB C 32 30.738 31.328 -0.590 1
1 311 . 5 1 1 A 33 33 ARG H H 33 7.418 7.430 -0.012 1
1 312 . 5 1 1 A 33 33 ARG HA H 33 4.746 4.853 -0.107 1
1 319 . 5 1 1 A 33 33 ARG C C 33 172.695 173.560 -0.865 1
1 320 . 5 1 1 A 33 33 ARG CA C 33 53.205 53.836 -0.631 1
1 321 . 5 1 1 A 33 33 ARG CB C 33 30.414 32.822 -2.408 1
1 324 . 5 1 1 A 33 33 ARG N N 33 117.994 114.010 3.984 1
1 325 . 5 1 1 A 34 34 PRO HA H 34 4.273 4.772 -0.499 1
1 332 . 5 1 1 A 34 34 PRO C C 34 175.342 176.270 -0.928 1
1 333 . 5 1 1 A 34 34 PRO CA C 34 64.037 62.624 1.413 1
1 334 . 5 1 1 A 34 34 PRO CB C 34 32.581 32.489 0.092 1
1 337 . 5 1 1 A 35 35 VAL H H 35 8.264 8.636 -0.372 1
1 338 . 5 1 1 A 35 35 VAL HA H 35 4.237 4.821 -0.584 1
1 346 . 5 1 1 A 35 35 VAL C C 35 175.771 175.925 -0.154 1
1 347 . 5 1 1 A 35 35 VAL CA C 35 61.890 60.479 1.411 1
1 348 . 5 1 1 A 35 35 VAL CB C 35 35.092 35.808 -0.716 1
1 351 . 5 1 1 A 35 35 VAL N N 35 122.377 121.955 0.422 1
1 352 . 5 1 1 A 36 36 ARG H H 36 9.278 8.206 1.072 1
1 353 . 5 1 1 A 36 36 ARG HA H 36 4.426 4.546 -0.120 1
1 360 . 5 1 1 A 36 36 ARG C C 36 175.620 176.085 -0.465 1
1 361 . 5 1 1 A 36 36 ARG CA C 36 57.672 57.029 0.643 1
1 362 . 5 1 1 A 36 36 ARG CB C 36 31.595 31.576 0.019 1
1 365 . 5 1 1 A 36 36 ARG N N 36 125.821 122.077 3.744 1
1 366 . 5 1 1 A 37 37 LEU H H 37 7.525 7.133 0.392 1
1 367 . 5 1 1 A 37 37 LEU HA H 37 4.403 4.809 -0.406 1
1 377 . 5 1 1 A 37 37 LEU C C 37 172.405 174.341 -1.936 1
1 378 . 5 1 1 A 37 37 LEU CA C 37 54.913 54.138 0.775 1
1 379 . 5 1 1 A 37 37 LEU CB C 37 46.166 45.651 0.515 1
1 383 . 5 1 1 A 37 37 LEU N N 37 119.761 119.423 0.338 1
1 384 . 5 1 1 A 38 38 VAL H H 38 8.513 8.864 -0.351 1
1 385 . 5 1 1 A 38 38 VAL HA H 38 4.790 4.875 -0.085 1
1 393 . 5 1 1 A 38 38 VAL C C 38 174.595 174.525 0.070 1
1 394 . 5 1 1 A 38 38 VAL CA C 38 60.992 60.556 0.436 1
1 395 . 5 1 1 A 38 38 VAL CB C 38 33.979 35.303 -1.324 1
1 398 . 5 1 1 A 38 38 VAL N N 38 123.604 124.122 -0.518 1
1 399 . 5 1 1 A 39 39 ARG H H 39 9.025 9.158 -0.133 1
1 400 . 5 1 1 A 39 39 ARG HA H 39 4.839 5.277 -0.438 1
1 407 . 5 1 1 A 39 39 ARG C C 39 174.581 174.594 -0.013 1
1 408 . 5 1 1 A 39 39 ARG CA C 39 55.150 54.548 0.602 1
1 409 . 5 1 1 A 39 39 ARG CB C 39 32.919 33.227 -0.308 1
1 412 . 5 1 1 A 39 39 ARG N N 39 126.442 127.681 -1.239 1
1 413 . 5 1 1 A 40 40 VAL H H 40 9.059 9.381 -0.322 1
1 414 . 5 1 1 A 40 40 VAL HA H 40 5.177 5.092 0.085 1
1 422 . 5 1 1 A 40 40 VAL C C 40 175.508 175.464 0.044 1
1 423 . 5 1 1 A 40 40 VAL CA C 40 60.513 61.303 -0.790 1
1 424 . 5 1 1 A 40 40 VAL CB C 40 33.390 33.736 -0.346 1
1 427 . 5 1 1 A 40 40 VAL N N 40 127.219 127.295 -0.076 1
1 428 . 5 1 1 A 41 41 THR H H 41 9.244 9.382 -0.138 1
1 429 . 5 1 1 A 41 41 THR HA H 41 5.056 5.255 -0.199 1
1 434 . 5 1 1 A 41 41 THR C C 41 173.323 173.443 -0.120 1
1 435 . 5 1 1 A 41 41 THR CA C 41 59.618 60.453 -0.835 1
1 436 . 5 1 1 A 41 41 THR CB C 41 71.668 71.082 0.586 1
1 438 . 5 1 1 A 41 41 THR N N 41 117.579 119.089 -1.510 1
1 439 . 5 1 1 A 42 42 TYR H H 42 7.955 8.673 -0.718 1
1 440 . 5 1 1 A 42 42 TYR HA H 42 5.825 6.057 -0.232 1
1 447 . 5 1 1 A 42 42 TYR C C 42 173.794 173.756 0.038 1
1 448 . 5 1 1 A 42 42 TYR CA C 42 54.314 55.309 -0.995 1
1 449 . 5 1 1 A 42 42 TYR CB C 42 39.788 42.093 -2.305 1
1 454 . 5 1 1 A 42 42 TYR N N 42 117.304 121.085 -3.781 1
1 455 . 5 1 1 A 43 43 VAL H H 43 8.547 8.500 0.047 1
1 456 . 5 1 1 A 43 43 VAL HA H 43 5.069 4.641 0.428 1
1 464 . 5 1 1 A 43 43 VAL C C 43 174.912 174.255 0.657 1
1 465 . 5 1 1 A 43 43 VAL CA C 43 60.142 60.413 -0.271 1
1 466 . 5 1 1 A 43 43 VAL CB C 43 35.329 35.620 -0.291 1
1 469 . 5 1 1 A 43 43 VAL N N 43 119.038 121.545 -2.507 1
1 470 . 5 1 1 A 44 44 SER H H 44 9.123 8.700 0.423 1
1 471 . 5 1 1 A 44 44 SER HA H 44 4.307 3.809 0.498 1
1 474 . 5 1 1 A 44 44 SER C C 44 176.777 174.946 1.831 1
1 475 . 5 1 1 A 44 44 SER CA C 44 57.838 57.646 0.192 1
1 476 . 5 1 1 A 44 44 SER CB C 44 64.064 64.909 -0.845 1
1 477 . 5 1 1 A 44 44 SER N N 44 124.942 120.486 4.456 1
1 478 . 5 1 1 A 45 45 SER H H 45 8.562 8.763 -0.201 1
1 479 . 5 1 1 A 45 45 SER HA H 45 4.175 4.077 0.098 1
1 482 . 5 1 1 A 45 45 SER C C 45 175.366 176.860 -1.494 1
1 483 . 5 1 1 A 45 45 SER CA C 45 61.239 61.464 -0.225 1
1 484 . 5 1 1 A 45 45 SER CB C 45 62.976 63.068 -0.092 1
1 485 . 5 1 1 A 45 45 SER N N 45 119.157 117.079 2.078 1
1 486 . 5 1 1 A 46 46 GLU H H 46 8.321 7.888 0.433 1
1 487 . 5 1 1 A 46 46 GLU HA H 46 4.442 4.023 0.419 1
1 492 . 5 1 1 A 46 46 GLU C C 46 177.463 177.417 0.046 1
1 493 . 5 1 1 A 46 46 GLU CA C 46 56.409 57.937 -1.528 1
1 494 . 5 1 1 A 46 46 GLU CB C 46 29.633 30.040 -0.407 1
1 496 . 5 1 1 A 46 46 GLU N N 46 119.112 119.317 -0.205 1
1 497 . 5 1 1 A 47 47 GLY H H 47 8.129 7.815 0.314 1
1 498 . 5 1 1 A 47 47 GLY HA2 H 47 4.150 4.026 0.124 1
1 499 . 5 1 1 A 47 47 GLY HA3 H 47 3.646 4.037 -0.391 1
1 500 . 5 1 1 A 47 47 GLY C C 47 175.047 174.139 0.908 1
1 501 . 5 1 1 A 47 47 GLY CA C 47 45.400 45.305 0.095 1
1 502 . 5 1 1 A 47 47 GLY N N 47 109.344 106.738 2.606 1
1 503 . 5 1 1 A 48 48 GLY H H 48 7.927 8.271 -0.344 1
1 504 . 5 1 1 A 48 48 GLY HA2 H 48 3.982 4.059 -0.077 1
1 505 . 5 1 1 A 48 48 GLY HA3 H 48 3.855 4.071 -0.216 1
1 506 . 5 1 1 A 48 48 GLY C C 48 173.614 173.496 0.118 1
1 507 . 5 1 1 A 48 48 GLY CA C 48 46.073 45.807 0.266 1
1 508 . 5 1 1 A 48 48 GLY N N 48 107.840 109.807 -1.967 1
1 509 . 5 1 1 A 49 49 HIS H H 49 7.985 7.565 0.420 1
1 510 . 5 1 1 A 49 49 HIS HA H 49 4.951 4.925 0.026 1
1 515 . 5 1 1 A 49 49 HIS C C 49 173.760 173.429 0.331 1
1 516 . 5 1 1 A 49 49 HIS CA C 49 56.608 54.187 2.421 1
1 517 . 5 1 1 A 49 49 HIS CB C 49 33.119 31.886 1.233 1
1 520 . 5 1 1 A 49 49 HIS N N 49 120.577 120.522 0.055 1
1 521 . 5 1 1 A 50 50 SER H H 50 8.118 8.704 -0.586 1
1 522 . 5 1 1 A 50 50 SER HA H 50 5.184 4.924 0.260 1
1 525 . 5 1 1 A 50 50 SER C C 50 172.582 173.330 -0.748 1
1 526 . 5 1 1 A 50 50 SER CA C 50 56.463 56.111 0.352 1
1 527 . 5 1 1 A 50 50 SER CB C 50 66.423 66.355 0.068 1
1 528 . 5 1 1 A 50 50 SER N N 50 120.879 119.946 0.933 1
1 529 . 5 1 1 A 51 51 GLY H H 51 7.900 7.907 -0.007 1
1 530 . 5 1 1 A 51 51 GLY HA2 H 51 4.027 3.741 0.286 1
1 531 . 5 1 1 A 51 51 GLY HA3 H 51 3.236 4.138 -0.902 1
1 532 . 5 1 1 A 51 51 GLY C C 51 171.073 171.389 -0.316 1
1 533 . 5 1 1 A 51 51 GLY CA C 51 44.696 45.468 -0.772 1
1 534 . 5 1 1 A 51 51 GLY N N 51 108.215 106.797 1.418 1
1 535 . 5 1 1 A 52 52 GLN H H 52 8.256 8.501 -0.245 1
1 536 . 5 1 1 A 52 52 GLN HA H 52 5.308 5.458 -0.150 1
1 543 . 5 1 1 A 52 52 GLN C C 52 174.217 173.606 0.611 1
1 544 . 5 1 1 A 52 52 GLN CA C 52 54.516 55.365 -0.849 1
1 545 . 5 1 1 A 52 52 GLN CB C 52 32.541 32.587 -0.046 1
1 547 . 5 1 1 A 52 52 GLN N N 52 115.667 119.091 -3.424 1
1 549 . 5 1 1 A 53 53 THR H H 53 9.298 8.965 0.333 1
1 550 . 5 1 1 A 53 53 THR HA H 53 4.753 5.153 -0.400 1
1 555 . 5 1 1 A 53 53 THR C C 53 171.720 172.555 -0.835 1
1 556 . 5 1 1 A 53 53 THR CA C 53 60.869 59.826 1.043 1
1 557 . 5 1 1 A 53 53 THR CB C 53 70.580 71.829 -1.249 1
1 559 . 5 1 1 A 53 53 THR N N 53 117.486 118.015 -0.529 1
1 560 . 5 1 1 A 54 54 GLU H H 54 8.404 8.692 -0.288 1
1 561 . 5 1 1 A 54 54 GLU HA H 54 5.378 5.317 0.061 1
1 566 . 5 1 1 A 54 54 GLU C C 54 174.705 175.781 -1.076 1
1 567 . 5 1 1 A 54 54 GLU CA C 54 54.693 54.908 -0.215 1
1 568 . 5 1 1 A 54 54 GLU CB C 54 33.434 33.095 0.339 1
1 570 . 5 1 1 A 54 54 GLU N N 54 123.651 125.022 -1.371 1
1 571 . 5 1 1 A 55 55 ALA H H 55 9.471 8.776 0.695 1
1 572 . 5 1 1 A 55 55 ALA HA H 55 5.056 5.001 0.055 1
1 576 . 5 1 1 A 55 55 ALA C C 55 172.938 174.106 -1.168 1
1 577 . 5 1 1 A 55 55 ALA CA C 55 49.216 50.029 -0.813 1
1 578 . 5 1 1 A 55 55 ALA CB C 55 20.410 22.357 -1.947 1
1 579 . 5 1 1 A 55 55 ALA N N 55 126.815 123.651 3.164 1
1 580 . 5 1 1 A 56 56 PRO HA H 56 4.630 4.605 0.025 1
1 587 . 5 1 1 A 56 56 PRO C C 56 176.935 178.170 -1.235 1
1 588 . 5 1 1 A 56 56 PRO CA C 56 62.303 62.795 -0.492 1
1 589 . 5 1 1 A 56 56 PRO CB C 56 32.745 32.681 0.064 1
1 592 . 5 1 1 A 57 57 GLY H H 57 8.240 8.608 -0.368 1
1 593 . 5 1 1 A 57 57 GLY HA2 H 57 3.839 3.874 -0.035 1
1 594 . 5 1 1 A 57 57 GLY HA3 H 57 3.547 3.878 -0.331 1
1 595 . 5 1 1 A 57 57 GLY C C 57 173.839 174.798 -0.959 1
1 596 . 5 1 1 A 57 57 GLY CA C 57 47.092 46.617 0.475 1
1 597 . 5 1 1 A 57 57 GLY N N 57 104.338 110.330 -5.992 1
1 598 . 5 1 1 A 58 58 ASN H H 58 7.935 8.005 -0.070 1
1 599 . 5 1 1 A 58 58 ASN HA H 58 4.778 4.931 -0.153 1
1 604 . 5 1 1 A 58 58 ASN C C 58 175.578 175.019 0.559 1
1 605 . 5 1 1 A 58 58 ASN CA C 58 52.176 53.345 -1.169 1
1 606 . 5 1 1 A 58 58 ASN CB C 58 37.384 39.178 -1.794 1
1 607 . 5 1 1 A 58 58 ASN N N 58 114.653 116.771 -2.118 1
1 609 . 5 1 1 A 59 59 ALA H H 59 8.041 7.912 0.129 1
1 610 . 5 1 1 A 59 59 ALA HA H 59 4.360 4.443 -0.083 1
1 614 . 5 1 1 A 59 59 ALA C C 59 177.738 178.557 -0.819 1
1 615 . 5 1 1 A 59 59 ALA CA C 59 52.792 51.127 1.665 1
1 616 . 5 1 1 A 59 59 ALA CB C 59 20.834 20.141 0.693 1
1 617 . 5 1 1 A 59 59 ALA N N 59 124.183 123.119 1.064 1
1 618 . 5 1 1 A 60 60 THR H H 60 8.274 8.710 -0.436 1
1 619 . 5 1 1 A 60 60 THR HA H 60 3.299 3.924 -0.625 1
1 624 . 5 1 1 A 60 60 THR C C 60 171.681 172.832 -1.151 1
1 625 . 5 1 1 A 60 60 THR CA C 60 59.732 60.474 -0.742 1
1 626 . 5 1 1 A 60 60 THR CB C 60 69.010 68.746 0.264 1
1 628 . 5 1 1 A 60 60 THR N N 60 108.095 112.935 -4.840 1
1 629 . 5 1 1 A 61 61 SER H H 61 6.728 7.359 -0.631 1
1 630 . 5 1 1 A 61 61 SER HA H 61 4.584 4.296 0.288 1
1 633 . 5 1 1 A 61 61 SER C C 61 172.948 172.651 0.297 1
1 634 . 5 1 1 A 61 61 SER CA C 61 57.403 57.278 0.125 1
1 635 . 5 1 1 A 61 61 SER CB C 61 65.767 65.057 0.710 1
1 636 . 5 1 1 A 61 61 SER N N 61 110.991 113.291 -2.300 1
1 637 . 5 1 1 A 62 62 ALA H H 62 8.954 8.515 0.439 1
1 638 . 5 1 1 A 62 62 ALA HA H 62 4.581 4.907 -0.326 1
1 642 . 5 1 1 A 62 62 ALA C C 62 174.741 176.070 -1.329 1
1 643 . 5 1 1 A 62 62 ALA CA C 62 51.949 51.705 0.244 1
1 644 . 5 1 1 A 62 62 ALA CB C 62 21.659 23.333 -1.674 1
1 645 . 5 1 1 A 62 62 ALA N N 62 119.306 121.810 -2.504 1
1 646 . 5 1 1 A 63 63 MET H H 63 8.599 8.534 0.065 1
1 647 . 5 1 1 A 63 63 MET HA H 63 4.993 5.096 -0.103 1
1 655 . 5 1 1 A 63 63 MET C C 63 175.386 175.240 0.146 1
1 656 . 5 1 1 A 63 63 MET CA C 63 53.760 54.373 -0.613 1
1 657 . 5 1 1 A 63 63 MET CB C 63 31.842 34.637 -2.795 1
1 660 . 5 1 1 A 63 63 MET N N 63 120.537 119.508 1.029 1
1 661 . 5 1 1 A 64 64 LEU H H 64 9.244 8.151 1.093 1
1 662 . 5 1 1 A 64 64 LEU HA H 64 4.494 4.789 -0.295 1
1 672 . 5 1 1 A 64 64 LEU C C 64 175.976 175.351 0.625 1
1 673 . 5 1 1 A 64 64 LEU CA C 64 52.988 53.055 -0.067 1
1 674 . 5 1 1 A 64 64 LEU CB C 64 42.785 46.126 -3.341 1
1 678 . 5 1 1 A 64 64 LEU N N 64 124.823 121.305 3.518 1
1 679 . 5 1 1 A 65 65 GLY H H 65 7.516 8.001 -0.485 1
1 680 . 5 1 1 A 65 65 GLY HA2 H 65 4.505 4.064 0.441 1
1 681 . 5 1 1 A 65 65 GLY HA3 H 65 3.237 4.074 -0.837 1
1 682 . 5 1 1 A 65 65 GLY C C 65 170.608 172.668 -2.060 1
1 683 . 5 1 1 A 65 65 GLY CA C 65 44.505 44.243 0.262 1
1 684 . 5 1 1 A 65 65 GLY N N 65 106.855 108.272 -1.417 1
1 685 . 5 1 1 A 66 66 PRO HA H 66 4.626 4.893 -0.267 1
1 692 . 5 1 1 A 66 66 PRO C C 66 176.262 176.875 -0.613 1
1 693 . 5 1 1 A 66 66 PRO CA C 66 62.542 62.889 -0.347 1
1 694 . 5 1 1 A 66 66 PRO CB C 66 34.107 31.997 2.110 1
1 697 . 5 1 1 A 67 67 LEU H H 67 8.487 8.752 -0.265 1
1 698 . 5 1 1 A 67 67 LEU HA H 67 4.586 4.761 -0.175 1
1 708 . 5 1 1 A 67 67 LEU C C 67 176.158 176.109 0.049 1
1 709 . 5 1 1 A 67 67 LEU CA C 67 52.335 53.361 -1.026 1
1 710 . 5 1 1 A 67 67 LEU CB C 67 43.440 42.543 0.897 1
1 714 . 5 1 1 A 67 67 LEU N N 67 124.582 123.036 1.546 1
1 715 . 5 1 1 A 68 68 SER H H 68 8.958 8.863 0.095 1
1 716 . 5 1 1 A 68 68 SER HA H 68 4.529 4.880 -0.351 1
1 719 . 5 1 1 A 68 68 SER C C 68 174.360 173.618 0.742 1
1 720 . 5 1 1 A 68 68 SER CA C 68 58.649 55.894 2.755 1
1 721 . 5 1 1 A 68 68 SER CB C 68 64.239 65.691 -1.452 1
1 722 . 5 1 1 A 68 68 SER N N 68 117.670 116.410 1.260 1
1 723 . 5 1 1 A 69 69 SER H H 69 8.511 8.720 -0.209 1
1 724 . 5 1 1 A 69 69 SER HA H 69 5.085 5.184 -0.099 1
1 727 . 5 1 1 A 69 69 SER C C 69 175.660 174.058 1.602 1
1 728 . 5 1 1 A 69 69 SER CA C 69 59.071 56.315 2.756 1
1 729 . 5 1 1 A 69 69 SER CB C 69 64.439 65.840 -1.401 1
1 730 . 5 1 1 A 69 69 SER N N 69 119.760 117.807 1.953 1
1 731 . 5 1 1 A 70 70 SER H H 70 7.974 8.753 -0.779 1
1 732 . 5 1 1 A 70 70 SER HA H 70 3.799 4.110 -0.311 1
1 735 . 5 1 1 A 70 70 SER C C 70 173.645 173.030 0.615 1
1 736 . 5 1 1 A 70 70 SER CA C 70 58.453 59.249 -0.796 1
1 737 . 5 1 1 A 70 70 SER CB C 70 62.477 62.035 0.442 1
1 738 . 5 1 1 A 70 70 SER N N 70 121.170 116.382 4.788 1
1 739 . 5 1 1 A 71 71 THR H H 71 8.325 7.634 0.691 1
1 740 . 5 1 1 A 71 71 THR HA H 71 4.482 4.750 -0.268 1
1 745 . 5 1 1 A 71 71 THR C C 71 171.950 173.535 -1.585 1
1 746 . 5 1 1 A 71 71 THR CA C 71 62.453 61.712 0.741 1
1 747 . 5 1 1 A 71 71 THR CB C 71 72.120 71.433 0.687 1
1 749 . 5 1 1 A 71 71 THR N N 71 115.265 115.028 0.237 1
1 750 . 5 1 1 A 72 72 THR H H 72 8.963 8.836 0.127 1
1 751 . 5 1 1 A 72 72 THR HA H 72 5.044 4.612 0.432 1
1 756 . 5 1 1 A 72 72 THR C C 72 173.198 173.864 -0.666 1
1 757 . 5 1 1 A 72 72 THR CA C 72 62.216 62.872 -0.656 1
1 758 . 5 1 1 A 72 72 THR CB C 72 69.392 68.992 0.400 1
1 760 . 5 1 1 A 72 72 THR N N 72 124.221 122.141 2.080 1
1 761 . 5 1 1 A 73 73 TYR H H 73 9.711 9.362 0.349 1
1 762 . 5 1 1 A 73 73 TYR HA H 73 4.852 5.236 -0.384 1
1 767 . 5 1 1 A 73 73 TYR C C 73 175.854 174.987 0.867 1
1 768 . 5 1 1 A 73 73 TYR CA C 73 57.596 56.432 1.164 1
1 769 . 5 1 1 A 73 73 TYR CB C 73 41.377 41.196 0.181 1
1 774 . 5 1 1 A 73 73 TYR N N 73 126.553 126.273 0.280 1
1 775 . 5 1 1 A 74 74 THR H H 74 8.981 9.225 -0.244 1
1 776 . 5 1 1 A 74 74 THR HA H 74 4.648 4.743 -0.095 1
1 781 . 5 1 1 A 74 74 THR C C 74 174.296 174.010 0.286 1
1 782 . 5 1 1 A 74 74 THR CA C 74 63.156 62.182 0.974 1
1 783 . 5 1 1 A 74 74 THR CB C 74 68.916 68.778 0.138 1
1 785 . 5 1 1 A 74 74 THR N N 74 118.190 119.493 -1.303 1
1 786 . 5 1 1 A 75 75 VAL H H 75 9.376 9.061 0.315 1
1 787 . 5 1 1 A 75 75 VAL HA H 75 4.951 4.481 0.470 1
1 795 . 5 1 1 A 75 75 VAL C C 75 173.554 174.978 -1.424 1
1 796 . 5 1 1 A 75 75 VAL CA C 75 61.004 62.248 -1.244 1
1 797 . 5 1 1 A 75 75 VAL CB C 75 34.541 32.757 1.784 1
1 800 . 5 1 1 A 75 75 VAL N N 75 130.973 128.391 2.582 1
1 801 . 5 1 1 A 76 76 ARG H H 76 9.023 8.738 0.285 1
1 802 . 5 1 1 A 76 76 ARG HA H 76 5.218 5.295 -0.077 1
1 809 . 5 1 1 A 76 76 ARG C C 76 175.034 174.241 0.793 1
1 810 . 5 1 1 A 76 76 ARG CA C 76 54.501 54.661 -0.160 1
1 811 . 5 1 1 A 76 76 ARG CB C 76 32.621 33.366 -0.745 1
1 814 . 5 1 1 A 76 76 ARG N N 76 126.030 128.013 -1.983 1
1 815 . 5 1 1 A 77 77 VAL H H 77 9.155 9.288 -0.133 1
1 816 . 5 1 1 A 77 77 VAL HA H 77 4.165 4.547 -0.382 1
1 824 . 5 1 1 A 77 77 VAL C C 77 174.967 174.897 0.070 1
1 825 . 5 1 1 A 77 77 VAL CA C 77 61.626 61.683 -0.057 1
1 826 . 5 1 1 A 77 77 VAL CB C 77 33.367 32.081 1.286 1
1 829 . 5 1 1 A 77 77 VAL N N 77 125.903 127.328 -1.425 1
1 830 . 5 1 1 A 78 78 THR H H 78 9.313 9.309 0.004 1
1 831 . 5 1 1 A 78 78 THR HA H 78 5.121 4.882 0.239 1
1 836 . 5 1 1 A 78 78 THR C C 78 173.388 173.596 -0.208 1
1 837 . 5 1 1 A 78 78 THR CA C 78 61.286 61.783 -0.497 1
1 838 . 5 1 1 A 78 78 THR CB C 78 70.432 69.165 1.267 1
1 840 . 5 1 1 A 78 78 THR N N 78 126.547 123.510 3.037 1
1 841 . 5 1 1 A 79 79 CYS H H 79 8.807 8.323 0.484 1
1 842 . 5 1 1 A 79 79 CYS HA H 79 4.410 4.605 -0.195 1
1 845 . 5 1 1 A 79 79 CYS C C 79 172.501 173.764 -1.263 1
1 846 . 5 1 1 A 79 79 CYS CA C 79 58.141 57.077 1.064 1
1 847 . 5 1 1 A 79 79 CYS CB C 79 28.102 27.490 0.612 1
1 848 . 5 1 1 A 79 79 CYS N N 79 125.160 125.865 -0.705 1
1 849 . 5 1 1 A 80 80 LEU H H 80 8.417 8.639 -0.222 1
1 850 . 5 1 1 A 80 80 LEU HA H 80 4.377 4.520 -0.143 1
1 860 . 5 1 1 A 80 80 LEU C C 80 175.846 175.793 0.053 1
1 861 . 5 1 1 A 80 80 LEU CA C 80 54.400 53.573 0.827 1
1 862 . 5 1 1 A 80 80 LEU CB C 80 41.520 41.730 -0.210 1
1 866 . 5 1 1 A 80 80 LEU N N 80 123.584 126.539 -2.955 1
1 867 . 5 1 1 A 81 81 TYR H H 81 8.090 8.138 -0.048 1
1 868 . 5 1 1 A 81 81 TYR HA H 81 5.085 4.610 0.475 1
1 875 . 5 1 1 A 81 81 TYR C C 81 175.341 176.351 -1.010 1
1 876 . 5 1 1 A 81 81 TYR CA C 81 55.561 57.383 -1.822 1
1 877 . 5 1 1 A 81 81 TYR CB C 81 36.792 38.590 -1.798 1
1 882 . 5 1 1 A 81 81 TYR N N 81 123.717 125.015 -1.298 1
1 883 . 5 1 1 A 82 82 PRO HA H 82 4.358 4.454 -0.096 1
1 890 . 5 1 1 A 82 82 PRO CA C 82 64.469 64.755 -0.286 1
1 891 . 5 1 1 A 82 82 PRO CB C 82 31.395 31.990 -0.595 1
1 894 . 5 1 1 A 83 83 GLY HA2 H 83 4.164 3.767 0.397 1
1 895 . 5 1 1 A 83 83 GLY HA3 H 83 3.880 3.769 0.111 1
1 896 . 5 1 1 A 83 83 GLY C C 83 174.832 174.475 0.357 1
1 897 . 5 1 1 A 83 83 GLY CA C 83 45.437 46.877 -1.440 1
1 898 . 5 1 1 A 84 84 GLY H H 84 7.641 7.611 0.030 1
1 899 . 5 1 1 A 84 84 GLY HA2 H 84 4.581 4.189 0.392 1
1 900 . 5 1 1 A 84 84 GLY HA3 H 84 3.788 4.205 -0.417 1
1 901 . 5 1 1 A 84 84 GLY C C 84 174.354 173.140 1.214 1
1 902 . 5 1 1 A 84 84 GLY CA C 84 44.801 45.188 -0.387 1
1 903 . 5 1 1 A 84 84 GLY N N 84 107.816 105.344 2.472 1
1 904 . 5 1 1 A 85 85 GLY H H 85 8.303 8.410 -0.107 1
1 905 . 5 1 1 A 85 85 GLY HA2 H 85 4.322 4.131 0.191 1
1 906 . 5 1 1 A 85 85 GLY HA3 H 85 4.113 4.157 -0.044 1
1 907 . 5 1 1 A 85 85 GLY C C 85 172.757 171.874 0.883 1
1 908 . 5 1 1 A 85 85 GLY CA C 85 44.602 44.295 0.307 1
1 909 . 5 1 1 A 85 85 GLY N N 85 108.998 111.346 -2.348 1
1 910 . 5 1 1 A 86 86 SER H H 86 8.361 8.409 -0.048 1
1 911 . 5 1 1 A 86 86 SER HA H 86 5.024 5.029 -0.005 1
1 914 . 5 1 1 A 86 86 SER C C 86 173.484 171.932 1.552 1
1 915 . 5 1 1 A 86 86 SER CA C 86 57.738 57.738 0.000 1
1 916 . 5 1 1 A 86 86 SER CB C 86 66.693 65.971 0.722 1
1 917 . 5 1 1 A 86 86 SER N N 86 111.910 112.906 -0.996 1
1 918 . 5 1 1 A 87 87 SER H H 87 8.105 8.211 -0.106 1
1 919 . 5 1 1 A 87 87 SER HA H 87 4.827 4.852 -0.025 1
1 922 . 5 1 1 A 87 87 SER C C 87 173.377 173.656 -0.279 1
1 923 . 5 1 1 A 87 87 SER CA C 87 57.737 56.094 1.643 1
1 924 . 5 1 1 A 87 87 SER CB C 87 65.849 65.264 0.585 1
1 925 . 5 1 1 A 87 87 SER N N 87 112.598 117.536 -4.938 1
1 926 . 5 1 1 A 88 88 THR H H 88 8.778 8.620 0.158 1
1 927 . 5 1 1 A 88 88 THR HA H 88 5.439 4.980 0.459 1
1 932 . 5 1 1 A 88 88 THR C C 88 173.289 173.107 0.182 1
1 933 . 5 1 1 A 88 88 THR CA C 88 62.083 61.670 0.413 1
1 934 . 5 1 1 A 88 88 THR CB C 88 72.001 71.167 0.834 1
1 936 . 5 1 1 A 88 88 THR N N 88 120.383 116.651 3.732 1
1 937 . 5 1 1 A 89 89 LEU H H 89 8.832 9.316 -0.484 1
1 938 . 5 1 1 A 89 89 LEU HA H 89 4.766 5.028 -0.262 1
1 948 . 5 1 1 A 89 89 LEU C C 89 175.440 176.647 -1.207 1
1 949 . 5 1 1 A 89 89 LEU CA C 89 53.671 53.608 0.063 1
1 950 . 5 1 1 A 89 89 LEU CB C 89 45.972 42.556 3.416 1
1 954 . 5 1 1 A 89 89 LEU N N 89 128.653 128.109 0.544 1
1 955 . 5 1 1 A 90 90 THR H H 90 8.576 8.752 -0.176 1
1 956 . 5 1 1 A 90 90 THR HA H 90 5.622 5.131 0.491 1
1 961 . 5 1 1 A 90 90 THR C C 90 174.307 174.342 -0.035 1
1 962 . 5 1 1 A 90 90 THR CA C 90 60.799 60.402 0.397 1
1 963 . 5 1 1 A 90 90 THR CB C 90 71.589 70.554 1.035 1
1 965 . 5 1 1 A 90 90 THR N N 90 115.259 117.117 -1.858 1
1 966 . 5 1 1 A 91 91 GLY H H 91 9.071 8.577 0.494 1
1 967 . 5 1 1 A 91 91 GLY HA2 H 91 4.605 4.375 0.230 1
1 968 . 5 1 1 A 91 91 GLY HA3 H 91 3.960 4.564 -0.604 1
1 969 . 5 1 1 A 91 91 GLY C C 91 170.717 171.802 -1.085 1
1 970 . 5 1 1 A 91 91 GLY CA C 91 45.314 45.563 -0.249 1
1 971 . 5 1 1 A 91 91 GLY N N 91 112.300 109.052 3.248 1
1 972 . 5 1 1 A 92 92 ARG H H 92 8.558 8.782 -0.224 1
1 973 . 5 1 1 A 92 92 ARG HA H 92 5.594 4.968 0.626 1
1 980 . 5 1 1 A 92 92 ARG C C 92 173.260 174.540 -1.280 1
1 981 . 5 1 1 A 92 92 ARG CA C 92 54.806 55.872 -1.066 1
1 982 . 5 1 1 A 92 92 ARG CB C 92 34.464 31.455 3.009 1
1 985 . 5 1 1 A 92 92 ARG N N 92 119.774 125.158 -5.384 1
1 986 . 5 1 1 A 93 93 VAL H H 93 8.430 8.684 -0.254 1
1 987 . 5 1 1 A 93 93 VAL HA H 93 4.081 4.632 -0.551 1
1 995 . 5 1 1 A 93 93 VAL C C 93 171.210 173.688 -2.478 1
1 996 . 5 1 1 A 93 93 VAL CA C 93 58.915 59.584 -0.669 1
1 997 . 5 1 1 A 93 93 VAL CB C 93 33.683 33.960 -0.277 1
1 1000 . 5 1 1 A 93 93 VAL N N 93 120.381 121.170 -0.789 1
1 1001 . 5 1 1 A 94 94 THR H H 94 8.129 8.796 -0.667 1
1 1002 . 5 1 1 A 94 94 THR HA H 94 5.342 4.873 0.469 1
1 1007 . 5 1 1 A 94 94 THR C C 94 174.637 174.703 -0.066 1
1 1008 . 5 1 1 A 94 94 THR CA C 94 60.799 61.843 -1.044 1
1 1009 . 5 1 1 A 94 94 THR CB C 94 70.768 69.125 1.643 1
1 1011 . 5 1 1 A 94 94 THR N N 94 124.645 123.296 1.349 1
1 1012 . 5 1 1 A 95 95 THR H H 95 8.906 8.510 0.396 1
1 1013 . 5 1 1 A 95 95 THR HA H 95 4.115 4.310 -0.195 1
1 1018 . 5 1 1 A 95 95 THR C C 95 175.367 174.232 1.135 1
1 1019 . 5 1 1 A 95 95 THR CA C 95 60.909 62.085 -1.176 1
1 1020 . 5 1 1 A 95 95 THR CB C 95 70.346 70.201 0.145 1
1 1022 . 5 1 1 A 95 95 THR N N 95 116.835 121.128 -4.293 1
1 1023 . 5 1 1 A 96 96 LYS H H 96 7.372 8.557 -1.185 1
1 1024 . 5 1 1 A 96 96 LYS HA H 96 4.189 4.359 -0.170 1
1 1033 . 5 1 1 A 96 96 LYS C C 96 176.308 177.428 -1.120 1
1 1034 . 5 1 1 A 96 96 LYS CA C 96 55.207 56.020 -0.813 1
1 1035 . 5 1 1 A 96 96 LYS CB C 96 34.095 33.318 0.777 1
1 1039 . 5 1 1 A 96 96 LYS N N 96 116.829 121.989 -5.160 1
1 1040 . 5 1 1 A 97 97 LYS H H 97 8.113 8.591 -0.478 1
1 1041 . 5 1 1 A 97 97 LYS HA H 97 4.356 4.438 -0.082 1
1 1050 . 5 1 1 A 97 97 LYS C C 97 176.106 176.560 -0.454 1
1 1051 . 5 1 1 A 97 97 LYS CA C 97 56.260 56.642 -0.382 1
1 1052 . 5 1 1 A 97 97 LYS CB C 97 33.140 33.013 0.127 1
1 1056 . 5 1 1 A 97 97 LYS N N 97 119.233 121.805 -2.572 1
1 1057 . 5 1 1 A 98 98 ALA H H 98 8.484 8.524 -0.040 1
1 1058 . 5 1 1 A 98 98 ALA HA H 98 4.054 4.071 -0.017 1
1 1062 . 5 1 1 A 98 98 ALA C C 98 175.754 175.767 -0.013 1
1 1063 . 5 1 1 A 98 98 ALA CA C 98 50.511 50.595 -0.084 1
1 1064 . 5 1 1 A 98 98 ALA CB C 98 17.093 17.793 -0.700 1
1 1065 . 5 1 1 A 98 98 ALA N N 98 126.424 126.549 -0.125 1
1 1066 . 5 1 1 A 99 99 PRO HA H 99 4.313 4.686 -0.373 1
1 1073 . 5 1 1 A 99 99 PRO C C 99 176.506 176.177 0.329 1
1 1074 . 5 1 1 A 99 99 PRO CA C 99 62.584 62.525 0.059 1
1 1075 . 5 1 1 A 99 99 PRO CB C 99 32.024 31.719 0.305 1
1 1078 . 5 1 1 A 100 100 SER H H 100 8.377 8.550 -0.173 1
1 1079 . 5 1 1 A 100 100 SER HA H 100 4.688 4.946 -0.258 1
1 1082 . 5 1 1 A 100 100 SER CA C 100 56.296 56.139 0.157 1
1 1083 . 5 1 1 A 100 100 SER CB C 100 63.276 64.084 -0.808 1
1 1084 . 5 1 1 A 100 100 SER N N 100 117.700 118.935 -1.235 1
1 1086 . 5 1 1 A 103 103 SER HA H 103 4.507 5.116 -0.609 1
1 1089 . 5 1 1 A 103 103 SER CA C 103 58.198 57.033 1.165 1
1 1090 . 5 1 1 A 103 103 SER CB C 103 63.882 64.598 -0.716 1
1 1091 . 5 1 1 A 104 104 GLY H H 104 8.233 8.198 0.035 1
1 1092 . 5 1 1 A 104 104 GLY HA2 H 104 4.124 4.169 -0.045 1
1 1093 . 5 1 1 A 104 104 GLY HA3 H 104 4.124 4.170 -0.046 1
1 1094 . 5 1 1 A 104 104 GLY CA C 104 44.608 45.497 -0.889 1
1 1095 . 5 1 1 A 104 104 GLY N N 104 110.600 112.697 -2.097 1
1 1096 . 5 1 1 A 105 105 PRO HA H 105 4.460 4.769 -0.309 1
1 1103 . 5 1 1 A 105 105 PRO CA C 105 63.264 62.288 0.976 1
1 1104 . 5 1 1 A 105 105 PRO CB C 105 32.094 30.267 1.827 1
1 1 . 6 1 1 A 6 6 SER HA H 6 4.470 4.165 0.305 1
1 3 . 6 1 1 A 6 6 SER C C 6 175.031 175.614 -0.583 1
1 4 . 6 1 1 A 6 6 SER CA C 6 58.687 60.586 -1.899 1
1 5 . 6 1 1 A 6 6 SER CB C 6 63.635 63.003 0.632 1
1 6 . 6 1 1 A 7 7 GLY H H 7 8.390 8.945 -0.555 1
1 7 . 6 1 1 A 7 7 GLY HA2 H 7 3.941 3.917 0.024 1
1 8 . 6 1 1 A 7 7 GLY HA3 H 7 3.941 3.918 0.023 1
1 9 . 6 1 1 A 7 7 GLY C C 7 173.892 174.872 -0.980 1
1 10 . 6 1 1 A 7 7 GLY CA C 7 45.348 46.397 -1.049 1
1 11 . 6 1 1 A 7 7 GLY N N 7 110.659 113.401 -2.742 1
1 12 . 6 1 1 A 8 8 LEU H H 8 8.017 7.899 0.118 1
1 13 . 6 1 1 A 8 8 LEU HA H 8 4.347 4.374 -0.027 1
1 23 . 6 1 1 A 8 8 LEU C C 8 176.816 176.192 0.624 1
1 24 . 6 1 1 A 8 8 LEU CA C 8 54.760 55.055 -0.295 1
1 25 . 6 1 1 A 8 8 LEU CB C 8 42.565 42.516 0.049 1
1 29 . 6 1 1 A 8 8 LEU N N 8 121.546 120.078 1.468 1
1 30 . 6 1 1 A 9 9 ALA H H 9 8.291 8.533 -0.242 1
1 31 . 6 1 1 A 9 9 ALA HA H 9 4.589 4.773 -0.184 1
1 35 . 6 1 1 A 9 9 ALA C C 9 174.928 175.014 -0.086 1
1 36 . 6 1 1 A 9 9 ALA CA C 9 50.381 49.486 0.895 1
1 37 . 6 1 1 A 9 9 ALA CB C 9 18.293 21.513 -3.220 1
1 38 . 6 1 1 A 9 9 ALA N N 9 126.618 123.278 3.340 1
1 39 . 6 1 1 A 10 10 PRO HA H 10 4.708 4.634 0.074 1
1 45 . 6 1 1 A 10 10 PRO CA C 10 61.347 61.773 -0.426 1
1 46 . 6 1 1 A 10 10 PRO CB C 10 30.783 32.296 -1.513 1
1 49 . 6 1 1 A 11 11 PRO HA H 11 4.442 4.340 0.102 1
1 56 . 6 1 1 A 11 11 PRO C C 11 176.585 176.572 0.013 1
1 57 . 6 1 1 A 11 11 PRO CA C 11 63.016 64.953 -1.937 1
1 58 . 6 1 1 A 11 11 PRO CB C 11 32.096 32.218 -0.122 1
1 61 . 6 1 1 A 12 12 ARG H H 12 8.348 7.577 0.771 1
1 62 . 6 1 1 A 12 12 ARG HA H 12 4.405 4.860 -0.455 1
1 69 . 6 1 1 A 12 12 ARG C C 12 175.204 174.433 0.771 1
1 70 . 6 1 1 A 12 12 ARG CA C 12 55.797 54.064 1.733 1
1 71 . 6 1 1 A 12 12 ARG CB C 12 32.052 35.202 -3.150 1
1 74 . 6 1 1 A 12 12 ARG N N 12 120.519 117.521 2.998 1
1 75 . 6 1 1 A 13 13 HIS H H 13 8.296 8.609 -0.313 1
1 76 . 6 1 1 A 13 13 HIS HA H 13 4.815 5.127 -0.312 1
1 81 . 6 1 1 A 13 13 HIS C C 13 174.544 175.134 -0.590 1
1 82 . 6 1 1 A 13 13 HIS CA C 13 55.783 55.290 0.493 1
1 83 . 6 1 1 A 13 13 HIS CB C 13 32.469 33.183 -0.714 1
1 86 . 6 1 1 A 13 13 HIS N N 13 118.569 117.455 1.114 1
1 87 . 6 1 1 A 14 14 LEU H H 14 8.209 8.359 -0.150 1
1 88 . 6 1 1 A 14 14 LEU HA H 14 4.655 4.977 -0.322 1
1 98 . 6 1 1 A 14 14 LEU C C 14 175.977 176.067 -0.090 1
1 99 . 6 1 1 A 14 14 LEU CA C 14 53.935 53.480 0.455 1
1 100 . 6 1 1 A 14 14 LEU CB C 14 44.113 44.749 -0.636 1
1 104 . 6 1 1 A 14 14 LEU N N 14 120.625 121.104 -0.479 1
1 105 . 6 1 1 A 15 15 GLY H H 15 7.988 7.477 0.511 1
1 106 . 6 1 1 A 15 15 GLY HA2 H 15 4.008 3.004 1.004 1
1 107 . 6 1 1 A 15 15 GLY HA3 H 15 2.486 3.720 -1.234 1
1 108 . 6 1 1 A 15 15 GLY C C 15 170.056 170.562 -0.506 1
1 109 . 6 1 1 A 15 15 GLY CA C 15 43.188 44.871 -1.683 1
1 110 . 6 1 1 A 15 15 GLY N N 15 111.142 107.646 3.496 1
1 111 . 6 1 1 A 16 16 PHE H H 16 8.078 8.624 -0.546 1
1 112 . 6 1 1 A 16 16 PHE HA H 16 5.830 5.275 0.555 1
1 120 . 6 1 1 A 16 16 PHE C C 16 175.968 174.273 1.695 1
1 121 . 6 1 1 A 16 16 PHE CA C 16 56.048 56.460 -0.412 1
1 122 . 6 1 1 A 16 16 PHE CB C 16 43.353 41.049 2.304 1
1 128 . 6 1 1 A 16 16 PHE N N 16 114.388 123.904 -9.516 1
1 129 . 6 1 1 A 17 17 SER H H 17 9.811 8.925 0.886 1
1 130 . 6 1 1 A 17 17 SER HA H 17 4.883 5.070 -0.187 1
1 133 . 6 1 1 A 17 17 SER C C 17 171.638 172.955 -1.317 1
1 134 . 6 1 1 A 17 17 SER CA C 17 57.073 56.922 0.151 1
1 135 . 6 1 1 A 17 17 SER CB C 17 66.893 66.721 0.172 1
1 136 . 6 1 1 A 17 17 SER N N 17 118.688 117.756 0.932 1
1 137 . 6 1 1 A 18 18 ASP H H 18 9.001 8.790 0.211 1
1 138 . 6 1 1 A 18 18 ASP HA H 18 4.171 4.135 0.036 1
1 141 . 6 1 1 A 18 18 ASP C C 18 174.520 175.473 -0.953 1
1 142 . 6 1 1 A 18 18 ASP CA C 18 55.333 55.162 0.171 1
1 143 . 6 1 1 A 18 18 ASP CB C 18 40.075 39.273 0.802 1
1 144 . 6 1 1 A 18 18 ASP N N 18 116.878 122.728 -5.850 1
1 145 . 6 1 1 A 19 19 VAL H H 19 8.202 7.984 0.218 1
1 146 . 6 1 1 A 19 19 VAL HA H 19 4.169 4.127 0.042 1
1 154 . 6 1 1 A 19 19 VAL C C 19 176.641 175.089 1.552 1
1 155 . 6 1 1 A 19 19 VAL CA C 19 63.962 63.162 0.800 1
1 156 . 6 1 1 A 19 19 VAL CB C 19 31.236 31.710 -0.474 1
1 159 . 6 1 1 A 19 19 VAL N N 19 117.253 119.906 -2.653 1
1 160 . 6 1 1 A 20 20 SER H H 20 9.066 8.518 0.548 1
1 161 . 6 1 1 A 20 20 SER HA H 20 5.061 4.777 0.284 1
1 164 . 6 1 1 A 20 20 SER C C 20 174.081 175.330 -1.249 1
1 165 . 6 1 1 A 20 20 SER CA C 20 55.582 55.397 0.185 1
1 166 . 6 1 1 A 20 20 SER CB C 20 65.090 65.738 -0.648 1
1 167 . 6 1 1 A 20 20 SER N N 20 126.686 121.138 5.548 1
1 168 . 6 1 1 A 21 21 HIS H H 21 8.635 8.329 0.306 1
1 169 . 6 1 1 A 21 21 HIS HA H 21 4.895 4.700 0.195 1
1 174 . 6 1 1 A 21 21 HIS C C 21 175.242 174.908 0.334 1
1 175 . 6 1 1 A 21 21 HIS CA C 21 56.934 57.131 -0.197 1
1 176 . 6 1 1 A 21 21 HIS CB C 21 30.651 29.903 0.748 1
1 179 . 6 1 1 A 21 21 HIS N N 21 117.241 121.445 -4.204 1
1 180 . 6 1 1 A 22 22 ASP H H 22 7.400 7.859 -0.459 1
1 181 . 6 1 1 A 22 22 ASP HA H 22 4.803 5.159 -0.356 1
1 184 . 6 1 1 A 22 22 ASP C C 22 176.754 174.549 2.205 1
1 185 . 6 1 1 A 22 22 ASP CA C 22 52.316 53.135 -0.819 1
1 186 . 6 1 1 A 22 22 ASP CB C 22 41.697 41.845 -0.148 1
1 187 . 6 1 1 A 22 22 ASP N N 22 115.766 119.966 -4.200 1
1 188 . 6 1 1 A 23 23 ALA H H 23 7.379 7.462 -0.083 1
1 189 . 6 1 1 A 23 23 ALA HA H 23 4.753 4.657 0.096 1
1 193 . 6 1 1 A 23 23 ALA C C 23 174.757 175.134 -0.377 1
1 194 . 6 1 1 A 23 23 ALA CA C 23 51.613 51.513 0.100 1
1 195 . 6 1 1 A 23 23 ALA CB C 23 22.882 22.358 0.524 1
1 196 . 6 1 1 A 23 23 ALA N N 23 122.521 120.540 1.981 1
1 197 . 6 1 1 A 24 24 ALA H H 24 7.745 8.119 -0.374 1
1 198 . 6 1 1 A 24 24 ALA HA H 24 4.593 4.843 -0.250 1
1 202 . 6 1 1 A 24 24 ALA C C 24 173.662 175.242 -1.580 1
1 203 . 6 1 1 A 24 24 ALA CA C 24 52.233 51.876 0.357 1
1 204 . 6 1 1 A 24 24 ALA CB C 24 22.894 22.354 0.540 1
1 205 . 6 1 1 A 24 24 ALA N N 24 115.485 120.091 -4.606 1
1 206 . 6 1 1 A 25 25 ARG H H 25 8.690 8.775 -0.085 1
1 207 . 6 1 1 A 25 25 ARG HA H 25 5.209 4.824 0.385 1
1 214 . 6 1 1 A 25 25 ARG C C 25 174.777 174.716 0.061 1
1 215 . 6 1 1 A 25 25 ARG CA C 25 55.161 55.360 -0.199 1
1 216 . 6 1 1 A 25 25 ARG CB C 25 32.329 31.582 0.747 1
1 219 . 6 1 1 A 25 25 ARG N N 25 122.853 123.967 -1.114 1
1 220 . 6 1 1 A 26 26 VAL H H 26 8.865 8.987 -0.122 1
1 221 . 6 1 1 A 26 26 VAL HA H 26 5.120 4.657 0.463 1
1 229 . 6 1 1 A 26 26 VAL C C 26 172.428 175.157 -2.729 1
1 230 . 6 1 1 A 26 26 VAL CA C 26 57.420 60.253 -2.833 1
1 231 . 6 1 1 A 26 26 VAL CB C 26 34.734 33.983 0.751 1
1 234 . 6 1 1 A 26 26 VAL N N 26 125.534 127.575 -2.041 1
1 235 . 6 1 1 A 27 27 PHE H H 27 8.520 8.703 -0.183 1
1 236 . 6 1 1 A 27 27 PHE HA H 27 5.039 5.162 -0.123 1
1 244 . 6 1 1 A 27 27 PHE C C 27 172.979 172.782 0.197 1
1 245 . 6 1 1 A 27 27 PHE CA C 27 56.293 55.073 1.220 1
1 246 . 6 1 1 A 27 27 PHE CB C 27 42.190 41.945 0.245 1
1 252 . 6 1 1 A 27 27 PHE N N 27 123.552 123.388 0.164 1
1 253 . 6 1 1 A 28 28 TRP H H 28 7.813 8.042 -0.229 1
1 254 . 6 1 1 A 28 28 TRP HA H 28 5.058 5.586 -0.528 1
1 263 . 6 1 1 A 28 28 TRP C C 28 174.131 175.974 -1.843 1
1 264 . 6 1 1 A 28 28 TRP CA C 28 55.730 54.709 1.021 1
1 265 . 6 1 1 A 28 28 TRP CB C 28 30.997 32.145 -1.148 1
1 271 . 6 1 1 A 28 28 TRP N N 28 116.968 118.546 -1.578 1
1 273 . 6 1 1 A 29 29 GLU H H 29 8.362 8.831 -0.469 1
1 274 . 6 1 1 A 29 29 GLU HA H 29 4.356 4.438 -0.082 1
1 279 . 6 1 1 A 29 29 GLU C C 29 177.125 176.839 0.286 1
1 280 . 6 1 1 A 29 29 GLU CA C 29 55.820 56.376 -0.556 1
1 281 . 6 1 1 A 29 29 GLU CB C 29 31.085 29.483 1.602 1
1 283 . 6 1 1 A 29 29 GLU N N 29 119.239 118.665 0.574 1
1 284 . 6 1 1 A 30 30 GLY H H 30 8.729 8.196 0.533 1
1 285 . 6 1 1 A 30 30 GLY HA2 H 30 4.051 4.187 -0.136 1
1 286 . 6 1 1 A 30 30 GLY HA3 H 30 3.781 4.398 -0.617 1
1 287 . 6 1 1 A 30 30 GLY C C 30 173.621 172.786 0.835 1
1 288 . 6 1 1 A 30 30 GLY CA C 30 45.559 45.096 0.463 1
1 289 . 6 1 1 A 30 30 GLY N N 30 110.979 107.719 3.260 1
1 290 . 6 1 1 A 31 31 ALA H H 31 8.747 8.075 0.672 1
1 291 . 6 1 1 A 31 31 ALA HA H 31 4.577 4.984 -0.407 1
1 295 . 6 1 1 A 31 31 ALA C C 31 177.064 176.870 0.194 1
1 296 . 6 1 1 A 31 31 ALA CA C 31 50.416 50.270 0.146 1
1 297 . 6 1 1 A 31 31 ALA CB C 31 19.221 22.319 -3.098 1
1 298 . 6 1 1 A 31 31 ALA N N 31 126.357 121.475 4.882 1
1 299 . 6 1 1 A 32 32 PRO HA H 32 4.630 4.492 0.138 1
1 306 . 6 1 1 A 32 32 PRO C C 32 175.001 175.286 -0.285 1
1 307 . 6 1 1 A 32 32 PRO CA C 32 63.368 64.071 -0.703 1
1 308 . 6 1 1 A 32 32 PRO CB C 32 30.738 31.873 -1.135 1
1 311 . 6 1 1 A 33 33 ARG H H 33 7.418 7.443 -0.025 1
1 312 . 6 1 1 A 33 33 ARG HA H 33 4.746 4.845 -0.099 1
1 319 . 6 1 1 A 33 33 ARG C C 33 172.695 173.590 -0.895 1
1 320 . 6 1 1 A 33 33 ARG CA C 33 53.205 53.895 -0.690 1
1 321 . 6 1 1 A 33 33 ARG CB C 33 30.414 32.766 -2.352 1
1 324 . 6 1 1 A 33 33 ARG N N 33 117.994 113.744 4.250 1
1 325 . 6 1 1 A 34 34 PRO HA H 34 4.273 4.756 -0.483 1
1 332 . 6 1 1 A 34 34 PRO C C 34 175.342 176.205 -0.863 1
1 333 . 6 1 1 A 34 34 PRO CA C 34 64.037 62.647 1.390 1
1 334 . 6 1 1 A 34 34 PRO CB C 34 32.581 32.530 0.051 1
1 337 . 6 1 1 A 35 35 VAL H H 35 8.264 8.626 -0.362 1
1 338 . 6 1 1 A 35 35 VAL HA H 35 4.237 4.770 -0.533 1
1 346 . 6 1 1 A 35 35 VAL C C 35 175.771 176.218 -0.447 1
1 347 . 6 1 1 A 35 35 VAL CA C 35 61.890 60.489 1.401 1
1 348 . 6 1 1 A 35 35 VAL CB C 35 35.092 35.457 -0.365 1
1 351 . 6 1 1 A 35 35 VAL N N 35 122.377 121.696 0.681 1
1 352 . 6 1 1 A 36 36 ARG H H 36 9.278 8.215 1.063 1
1 353 . 6 1 1 A 36 36 ARG HA H 36 4.426 4.380 0.046 1
1 360 . 6 1 1 A 36 36 ARG C C 36 175.620 175.938 -0.318 1
1 361 . 6 1 1 A 36 36 ARG CA C 36 57.672 57.313 0.359 1
1 362 . 6 1 1 A 36 36 ARG CB C 36 31.595 31.178 0.417 1
1 365 . 6 1 1 A 36 36 ARG N N 36 125.821 122.319 3.502 1
1 366 . 6 1 1 A 37 37 LEU H H 37 7.525 7.128 0.397 1
1 367 . 6 1 1 A 37 37 LEU HA H 37 4.403 4.885 -0.482 1
1 377 . 6 1 1 A 37 37 LEU C C 37 172.405 174.151 -1.746 1
1 378 . 6 1 1 A 37 37 LEU CA C 37 54.913 54.179 0.734 1
1 379 . 6 1 1 A 37 37 LEU CB C 37 46.166 46.065 0.101 1
1 383 . 6 1 1 A 37 37 LEU N N 37 119.761 119.291 0.470 1
1 384 . 6 1 1 A 38 38 VAL H H 38 8.513 8.958 -0.445 1
1 385 . 6 1 1 A 38 38 VAL HA H 38 4.790 4.584 0.206 1
1 393 . 6 1 1 A 38 38 VAL C C 38 174.595 174.745 -0.150 1
1 394 . 6 1 1 A 38 38 VAL CA C 38 60.992 61.413 -0.421 1
1 395 . 6 1 1 A 38 38 VAL CB C 38 33.979 34.439 -0.460 1
1 398 . 6 1 1 A 38 38 VAL N N 38 123.604 124.985 -1.381 1
1 399 . 6 1 1 A 39 39 ARG H H 39 9.025 8.797 0.228 1
1 400 . 6 1 1 A 39 39 ARG HA H 39 4.839 5.028 -0.189 1
1 407 . 6 1 1 A 39 39 ARG C C 39 174.581 175.320 -0.739 1
1 408 . 6 1 1 A 39 39 ARG CA C 39 55.150 54.967 0.183 1
1 409 . 6 1 1 A 39 39 ARG CB C 39 32.919 32.696 0.223 1
1 412 . 6 1 1 A 39 39 ARG N N 39 126.442 127.050 -0.608 1
1 413 . 6 1 1 A 40 40 VAL H H 40 9.059 8.905 0.154 1
1 414 . 6 1 1 A 40 40 VAL HA H 40 5.177 5.263 -0.086 1
1 422 . 6 1 1 A 40 40 VAL C C 40 175.508 175.026 0.482 1
1 423 . 6 1 1 A 40 40 VAL CA C 40 60.513 61.098 -0.585 1
1 424 . 6 1 1 A 40 40 VAL CB C 40 33.390 34.770 -1.380 1
1 427 . 6 1 1 A 40 40 VAL N N 40 127.219 122.799 4.420 1
1 428 . 6 1 1 A 41 41 THR H H 41 9.244 9.050 0.194 1
1 429 . 6 1 1 A 41 41 THR HA H 41 5.056 5.627 -0.571 1
1 434 . 6 1 1 A 41 41 THR C C 41 173.323 173.809 -0.486 1
1 435 . 6 1 1 A 41 41 THR CA C 41 59.618 60.473 -0.855 1
1 436 . 6 1 1 A 41 41 THR CB C 41 71.668 70.952 0.716 1
1 438 . 6 1 1 A 41 41 THR N N 41 117.579 120.262 -2.683 1
1 439 . 6 1 1 A 42 42 TYR H H 42 7.955 8.224 -0.269 1
1 440 . 6 1 1 A 42 42 TYR HA H 42 5.825 6.082 -0.257 1
1 447 . 6 1 1 A 42 42 TYR C C 42 173.794 173.637 0.157 1
1 448 . 6 1 1 A 42 42 TYR CA C 42 54.314 55.218 -0.904 1
1 449 . 6 1 1 A 42 42 TYR CB C 42 39.788 42.108 -2.320 1
1 454 . 6 1 1 A 42 42 TYR N N 42 117.304 119.678 -2.374 1
1 455 . 6 1 1 A 43 43 VAL H H 43 8.547 8.628 -0.081 1
1 456 . 6 1 1 A 43 43 VAL HA H 43 5.069 4.931 0.138 1
1 464 . 6 1 1 A 43 43 VAL C C 43 174.912 174.684 0.228 1
1 465 . 6 1 1 A 43 43 VAL CA C 43 60.142 60.272 -0.130 1
1 466 . 6 1 1 A 43 43 VAL CB C 43 35.329 35.730 -0.401 1
1 469 . 6 1 1 A 43 43 VAL N N 43 119.038 121.724 -2.686 1
1 470 . 6 1 1 A 44 44 SER H H 44 9.123 8.778 0.345 1
1 471 . 6 1 1 A 44 44 SER HA H 44 4.307 3.038 1.269 1
1 474 . 6 1 1 A 44 44 SER C C 44 176.777 174.780 1.997 1
1 475 . 6 1 1 A 44 44 SER CA C 44 57.838 58.039 -0.201 1
1 476 . 6 1 1 A 44 44 SER CB C 44 64.064 63.774 0.290 1
1 477 . 6 1 1 A 44 44 SER N N 44 124.942 122.108 2.834 1
1 478 . 6 1 1 A 45 45 SER H H 45 8.562 8.229 0.333 1
1 479 . 6 1 1 A 45 45 SER HA H 45 4.175 3.979 0.196 1
1 482 . 6 1 1 A 45 45 SER C C 45 175.366 175.222 0.144 1
1 483 . 6 1 1 A 45 45 SER CA C 45 61.239 61.342 -0.103 1
1 484 . 6 1 1 A 45 45 SER CB C 45 62.976 62.881 0.095 1
1 485 . 6 1 1 A 45 45 SER N N 45 119.157 118.269 0.888 1
1 486 . 6 1 1 A 46 46 GLU H H 46 8.321 7.901 0.420 1
1 487 . 6 1 1 A 46 46 GLU HA H 46 4.442 4.246 0.196 1
1 492 . 6 1 1 A 46 46 GLU C C 46 177.463 177.760 -0.297 1
1 493 . 6 1 1 A 46 46 GLU CA C 46 56.409 55.651 0.758 1
1 494 . 6 1 1 A 46 46 GLU CB C 46 29.633 28.570 1.063 1
1 496 . 6 1 1 A 46 46 GLU N N 46 119.112 115.711 3.401 1
1 497 . 6 1 1 A 47 47 GLY H H 47 8.129 7.779 0.350 1
1 498 . 6 1 1 A 47 47 GLY HA2 H 47 4.150 3.850 0.300 1
1 499 . 6 1 1 A 47 47 GLY HA3 H 47 3.646 3.871 -0.225 1
1 500 . 6 1 1 A 47 47 GLY C C 47 175.047 174.749 0.298 1
1 501 . 6 1 1 A 47 47 GLY CA C 47 45.400 47.000 -1.600 1
1 502 . 6 1 1 A 47 47 GLY N N 47 109.344 109.569 -0.225 1
1 503 . 6 1 1 A 48 48 GLY H H 48 7.927 8.054 -0.127 1
1 504 . 6 1 1 A 48 48 GLY HA2 H 48 3.982 4.026 -0.044 1
1 505 . 6 1 1 A 48 48 GLY HA3 H 48 3.855 4.028 -0.173 1
1 506 . 6 1 1 A 48 48 GLY C C 48 173.614 173.804 -0.190 1
1 507 . 6 1 1 A 48 48 GLY CA C 48 46.073 44.768 1.305 1
1 508 . 6 1 1 A 48 48 GLY N N 48 107.840 107.416 0.424 1
1 509 . 6 1 1 A 49 49 HIS H H 49 7.985 8.288 -0.303 1
1 510 . 6 1 1 A 49 49 HIS HA H 49 4.951 4.633 0.318 1
1 515 . 6 1 1 A 49 49 HIS C C 49 173.760 174.138 -0.378 1
1 516 . 6 1 1 A 49 49 HIS CA C 49 56.608 57.089 -0.481 1
1 517 . 6 1 1 A 49 49 HIS CB C 49 33.119 30.725 2.394 1
1 520 . 6 1 1 A 49 49 HIS N N 49 120.577 122.782 -2.205 1
1 521 . 6 1 1 A 50 50 SER H H 50 8.118 8.739 -0.621 1
1 522 . 6 1 1 A 50 50 SER HA H 50 5.184 4.910 0.274 1
1 525 . 6 1 1 A 50 50 SER C C 50 172.582 172.745 -0.163 1
1 526 . 6 1 1 A 50 50 SER CA C 50 56.463 56.815 -0.352 1
1 527 . 6 1 1 A 50 50 SER CB C 50 66.423 66.269 0.154 1
1 528 . 6 1 1 A 50 50 SER N N 50 120.879 119.167 1.712 1
1 529 . 6 1 1 A 51 51 GLY H H 51 7.900 7.913 -0.013 1
1 530 . 6 1 1 A 51 51 GLY HA2 H 51 4.027 3.735 0.292 1
1 531 . 6 1 1 A 51 51 GLY HA3 H 51 3.236 4.167 -0.931 1
1 532 . 6 1 1 A 51 51 GLY C C 51 171.073 171.873 -0.800 1
1 533 . 6 1 1 A 51 51 GLY CA C 51 44.696 45.062 -0.366 1
1 534 . 6 1 1 A 51 51 GLY N N 51 108.215 106.534 1.681 1
1 535 . 6 1 1 A 52 52 GLN H H 52 8.256 8.508 -0.252 1
1 536 . 6 1 1 A 52 52 GLN HA H 52 5.308 5.327 -0.019 1
1 543 . 6 1 1 A 52 52 GLN C C 52 174.217 173.548 0.669 1
1 544 . 6 1 1 A 52 52 GLN CA C 52 54.516 55.334 -0.818 1
1 545 . 6 1 1 A 52 52 GLN CB C 52 32.541 32.465 0.076 1
1 547 . 6 1 1 A 52 52 GLN N N 52 115.667 119.291 -3.624 1
1 549 . 6 1 1 A 53 53 THR H H 53 9.298 9.173 0.125 1
1 550 . 6 1 1 A 53 53 THR HA H 53 4.753 5.222 -0.469 1
1 555 . 6 1 1 A 53 53 THR C C 53 171.720 172.969 -1.249 1
1 556 . 6 1 1 A 53 53 THR CA C 53 60.869 59.677 1.192 1
1 557 . 6 1 1 A 53 53 THR CB C 53 70.580 72.316 -1.736 1
1 559 . 6 1 1 A 53 53 THR N N 53 117.486 121.008 -3.522 1
1 560 . 6 1 1 A 54 54 GLU H H 54 8.404 8.548 -0.144 1
1 561 . 6 1 1 A 54 54 GLU HA H 54 5.378 5.122 0.256 1
1 566 . 6 1 1 A 54 54 GLU C C 54 174.705 175.693 -0.988 1
1 567 . 6 1 1 A 54 54 GLU CA C 54 54.693 54.843 -0.150 1
1 568 . 6 1 1 A 54 54 GLU CB C 54 33.434 33.201 0.233 1
1 570 . 6 1 1 A 54 54 GLU N N 54 123.651 124.371 -0.720 1
1 571 . 6 1 1 A 55 55 ALA H H 55 9.471 8.900 0.571 1
1 572 . 6 1 1 A 55 55 ALA HA H 55 5.056 4.988 0.068 1
1 576 . 6 1 1 A 55 55 ALA C C 55 172.938 174.118 -1.180 1
1 577 . 6 1 1 A 55 55 ALA CA C 55 49.216 49.921 -0.705 1
1 578 . 6 1 1 A 55 55 ALA CB C 55 20.410 22.379 -1.969 1
1 579 . 6 1 1 A 55 55 ALA N N 55 126.815 123.777 3.038 1
1 580 . 6 1 1 A 56 56 PRO HA H 56 4.630 4.700 -0.070 1
1 587 . 6 1 1 A 56 56 PRO C C 56 176.935 178.301 -1.366 1
1 588 . 6 1 1 A 56 56 PRO CA C 56 62.303 62.937 -0.634 1
1 589 . 6 1 1 A 56 56 PRO CB C 56 32.745 32.533 0.212 1
1 592 . 6 1 1 A 57 57 GLY H H 57 8.240 8.759 -0.519 1
1 593 . 6 1 1 A 57 57 GLY HA2 H 57 3.839 3.847 -0.008 1
1 594 . 6 1 1 A 57 57 GLY HA3 H 57 3.547 3.851 -0.304 1
1 595 . 6 1 1 A 57 57 GLY C C 57 173.839 175.305 -1.466 1
1 596 . 6 1 1 A 57 57 GLY CA C 57 47.092 46.868 0.224 1
1 597 . 6 1 1 A 57 57 GLY N N 57 104.338 111.305 -6.967 1
1 598 . 6 1 1 A 58 58 ASN H H 58 7.935 8.015 -0.080 1
1 599 . 6 1 1 A 58 58 ASN HA H 58 4.778 4.738 0.040 1
1 604 . 6 1 1 A 58 58 ASN C C 58 175.578 176.440 -0.862 1
1 605 . 6 1 1 A 58 58 ASN CA C 58 52.176 55.289 -3.113 1
1 606 . 6 1 1 A 58 58 ASN CB C 58 37.384 38.825 -1.441 1
1 607 . 6 1 1 A 58 58 ASN N N 58 114.653 117.133 -2.480 1
1 609 . 6 1 1 A 59 59 ALA H H 59 8.041 7.630 0.411 1
1 610 . 6 1 1 A 59 59 ALA HA H 59 4.360 4.165 0.195 1
1 614 . 6 1 1 A 59 59 ALA C C 59 177.738 178.212 -0.474 1
1 615 . 6 1 1 A 59 59 ALA CA C 59 52.792 52.984 -0.192 1
1 616 . 6 1 1 A 59 59 ALA CB C 59 20.834 19.221 1.613 1
1 617 . 6 1 1 A 59 59 ALA N N 59 124.183 121.436 2.747 1
1 618 . 6 1 1 A 60 60 THR H H 60 8.274 8.725 -0.451 1
1 619 . 6 1 1 A 60 60 THR HA H 60 3.299 4.241 -0.942 1
1 624 . 6 1 1 A 60 60 THR C C 60 171.681 172.895 -1.214 1
1 625 . 6 1 1 A 60 60 THR CA C 60 59.732 60.677 -0.945 1
1 626 . 6 1 1 A 60 60 THR CB C 60 69.010 68.420 0.590 1
1 628 . 6 1 1 A 60 60 THR N N 60 108.095 113.857 -5.762 1
1 629 . 6 1 1 A 61 61 SER H H 61 6.728 7.375 -0.647 1
1 630 . 6 1 1 A 61 61 SER HA H 61 4.584 4.176 0.408 1
1 633 . 6 1 1 A 61 61 SER C C 61 172.948 172.507 0.441 1
1 634 . 6 1 1 A 61 61 SER CA C 61 57.403 57.272 0.131 1
1 635 . 6 1 1 A 61 61 SER CB C 61 65.767 65.089 0.678 1
1 636 . 6 1 1 A 61 61 SER N N 61 110.991 113.061 -2.070 1
1 637 . 6 1 1 A 62 62 ALA H H 62 8.954 8.368 0.586 1
1 638 . 6 1 1 A 62 62 ALA HA H 62 4.581 5.062 -0.481 1
1 642 . 6 1 1 A 62 62 ALA C C 62 174.741 176.065 -1.324 1
1 643 . 6 1 1 A 62 62 ALA CA C 62 51.949 51.462 0.487 1
1 644 . 6 1 1 A 62 62 ALA CB C 62 21.659 23.170 -1.511 1
1 645 . 6 1 1 A 62 62 ALA N N 62 119.306 122.487 -3.181 1
1 646 . 6 1 1 A 63 63 MET H H 63 8.599 8.571 0.028 1
1 647 . 6 1 1 A 63 63 MET HA H 63 4.993 4.860 0.133 1
1 655 . 6 1 1 A 63 63 MET C C 63 175.386 175.369 0.017 1
1 656 . 6 1 1 A 63 63 MET CA C 63 53.760 54.732 -0.972 1
1 657 . 6 1 1 A 63 63 MET CB C 63 31.842 34.054 -2.212 1
1 660 . 6 1 1 A 63 63 MET N N 63 120.537 120.210 0.327 1
1 661 . 6 1 1 A 64 64 LEU H H 64 9.244 8.160 1.084 1
1 662 . 6 1 1 A 64 64 LEU HA H 64 4.494 4.993 -0.499 1
1 672 . 6 1 1 A 64 64 LEU C C 64 175.976 175.445 0.531 1
1 673 . 6 1 1 A 64 64 LEU CA C 64 52.988 53.148 -0.160 1
1 674 . 6 1 1 A 64 64 LEU CB C 64 42.785 45.875 -3.090 1
1 678 . 6 1 1 A 64 64 LEU N N 64 124.823 121.111 3.712 1
1 679 . 6 1 1 A 65 65 GLY H H 65 7.516 8.150 -0.634 1
1 680 . 6 1 1 A 65 65 GLY HA2 H 65 4.505 4.036 0.469 1
1 681 . 6 1 1 A 65 65 GLY HA3 H 65 3.237 4.057 -0.820 1
1 682 . 6 1 1 A 65 65 GLY C C 65 170.608 172.319 -1.711 1
1 683 . 6 1 1 A 65 65 GLY CA C 65 44.505 44.547 -0.042 1
1 684 . 6 1 1 A 65 65 GLY N N 65 106.855 108.592 -1.737 1
1 685 . 6 1 1 A 66 66 PRO HA H 66 4.626 4.776 -0.150 1
1 692 . 6 1 1 A 66 66 PRO C C 66 176.262 176.700 -0.438 1
1 693 . 6 1 1 A 66 66 PRO CA C 66 62.542 62.893 -0.351 1
1 694 . 6 1 1 A 66 66 PRO CB C 66 34.107 31.991 2.116 1
1 697 . 6 1 1 A 67 67 LEU H H 67 8.487 8.669 -0.182 1
1 698 . 6 1 1 A 67 67 LEU HA H 67 4.586 4.714 -0.128 1
1 708 . 6 1 1 A 67 67 LEU C C 67 176.158 176.353 -0.195 1
1 709 . 6 1 1 A 67 67 LEU CA C 67 52.335 53.352 -1.017 1
1 710 . 6 1 1 A 67 67 LEU CB C 67 43.440 42.542 0.898 1
1 714 . 6 1 1 A 67 67 LEU N N 67 124.582 123.487 1.095 1
1 715 . 6 1 1 A 68 68 SER H H 68 8.958 8.658 0.300 1
1 716 . 6 1 1 A 68 68 SER HA H 68 4.529 4.665 -0.136 1
1 719 . 6 1 1 A 68 68 SER C C 68 174.360 173.593 0.767 1
1 720 . 6 1 1 A 68 68 SER CA C 68 58.649 56.258 2.391 1
1 721 . 6 1 1 A 68 68 SER CB C 68 64.239 65.401 -1.162 1
1 722 . 6 1 1 A 68 68 SER N N 68 117.670 117.416 0.254 1
1 723 . 6 1 1 A 69 69 SER H H 69 8.511 8.751 -0.240 1
1 724 . 6 1 1 A 69 69 SER HA H 69 5.085 5.330 -0.245 1
1 727 . 6 1 1 A 69 69 SER C C 69 175.660 174.059 1.601 1
1 728 . 6 1 1 A 69 69 SER CA C 69 59.071 56.270 2.801 1
1 729 . 6 1 1 A 69 69 SER CB C 69 64.439 65.864 -1.425 1
1 730 . 6 1 1 A 69 69 SER N N 69 119.760 117.910 1.850 1
1 731 . 6 1 1 A 70 70 SER H H 70 7.974 9.178 -1.204 1
1 732 . 6 1 1 A 70 70 SER HA H 70 3.799 4.153 -0.354 1
1 735 . 6 1 1 A 70 70 SER C C 70 173.645 173.028 0.617 1
1 736 . 6 1 1 A 70 70 SER CA C 70 58.453 59.207 -0.754 1
1 737 . 6 1 1 A 70 70 SER CB C 70 62.477 61.987 0.490 1
1 738 . 6 1 1 A 70 70 SER N N 70 121.170 116.246 4.924 1
1 739 . 6 1 1 A 71 71 THR H H 71 8.325 7.760 0.565 1
1 740 . 6 1 1 A 71 71 THR HA H 71 4.482 4.706 -0.224 1
1 745 . 6 1 1 A 71 71 THR C C 71 171.950 173.563 -1.613 1
1 746 . 6 1 1 A 71 71 THR CA C 71 62.453 61.687 0.766 1
1 747 . 6 1 1 A 71 71 THR CB C 71 72.120 71.161 0.959 1
1 749 . 6 1 1 A 71 71 THR N N 71 115.265 114.980 0.285 1
1 750 . 6 1 1 A 72 72 THR H H 72 8.963 8.705 0.258 1
1 751 . 6 1 1 A 72 72 THR HA H 72 5.044 4.579 0.465 1
1 756 . 6 1 1 A 72 72 THR C C 72 173.198 174.120 -0.922 1
1 757 . 6 1 1 A 72 72 THR CA C 72 62.216 63.111 -0.895 1
1 758 . 6 1 1 A 72 72 THR CB C 72 69.392 69.609 -0.217 1
1 760 . 6 1 1 A 72 72 THR N N 72 124.221 121.333 2.888 1
1 761 . 6 1 1 A 73 73 TYR H H 73 9.711 9.118 0.593 1
1 762 . 6 1 1 A 73 73 TYR HA H 73 4.852 5.294 -0.442 1
1 767 . 6 1 1 A 73 73 TYR C C 73 175.854 174.944 0.910 1
1 768 . 6 1 1 A 73 73 TYR CA C 73 57.596 56.673 0.923 1
1 769 . 6 1 1 A 73 73 TYR CB C 73 41.377 41.554 -0.177 1
1 774 . 6 1 1 A 73 73 TYR N N 73 126.553 123.669 2.884 1
1 775 . 6 1 1 A 74 74 THR H H 74 8.981 9.213 -0.232 1
1 776 . 6 1 1 A 74 74 THR HA H 74 4.648 4.733 -0.085 1
1 781 . 6 1 1 A 74 74 THR C C 74 174.296 174.219 0.077 1
1 782 . 6 1 1 A 74 74 THR CA C 74 63.156 62.607 0.549 1
1 783 . 6 1 1 A 74 74 THR CB C 74 68.916 68.708 0.208 1
1 785 . 6 1 1 A 74 74 THR N N 74 118.190 119.473 -1.283 1
1 786 . 6 1 1 A 75 75 VAL H H 75 9.376 9.354 0.022 1
1 787 . 6 1 1 A 75 75 VAL HA H 75 4.951 4.560 0.391 1
1 795 . 6 1 1 A 75 75 VAL C C 75 173.554 175.089 -1.535 1
1 796 . 6 1 1 A 75 75 VAL CA C 75 61.004 61.985 -0.981 1
1 797 . 6 1 1 A 75 75 VAL CB C 75 34.541 32.514 2.027 1
1 800 . 6 1 1 A 75 75 VAL N N 75 130.973 128.469 2.504 1
1 801 . 6 1 1 A 76 76 ARG H H 76 9.023 8.856 0.167 1
1 802 . 6 1 1 A 76 76 ARG HA H 76 5.218 5.337 -0.119 1
1 809 . 6 1 1 A 76 76 ARG C C 76 175.034 174.803 0.231 1
1 810 . 6 1 1 A 76 76 ARG CA C 76 54.501 54.464 0.037 1
1 811 . 6 1 1 A 76 76 ARG CB C 76 32.621 33.013 -0.392 1
1 814 . 6 1 1 A 76 76 ARG N N 76 126.030 124.219 1.811 1
1 815 . 6 1 1 A 77 77 VAL H H 77 9.155 9.293 -0.138 1
1 816 . 6 1 1 A 77 77 VAL HA H 77 4.165 4.330 -0.165 1
1 824 . 6 1 1 A 77 77 VAL C C 77 174.967 175.230 -0.263 1
1 825 . 6 1 1 A 77 77 VAL CA C 77 61.626 61.880 -0.254 1
1 826 . 6 1 1 A 77 77 VAL CB C 77 33.367 30.845 2.522 1
1 829 . 6 1 1 A 77 77 VAL N N 77 125.903 124.887 1.016 1
1 830 . 6 1 1 A 78 78 THR H H 78 9.313 9.178 0.135 1
1 831 . 6 1 1 A 78 78 THR HA H 78 5.121 4.687 0.434 1
1 836 . 6 1 1 A 78 78 THR C C 78 173.388 173.941 -0.553 1
1 837 . 6 1 1 A 78 78 THR CA C 78 61.286 63.317 -2.031 1
1 838 . 6 1 1 A 78 78 THR CB C 78 70.432 69.014 1.418 1
1 840 . 6 1 1 A 78 78 THR N N 78 126.547 123.213 3.334 1
1 841 . 6 1 1 A 79 79 CYS H H 79 8.807 8.718 0.089 1
1 842 . 6 1 1 A 79 79 CYS HA H 79 4.410 4.686 -0.276 1
1 845 . 6 1 1 A 79 79 CYS C C 79 172.501 173.106 -0.605 1
1 846 . 6 1 1 A 79 79 CYS CA C 79 58.141 57.106 1.035 1
1 847 . 6 1 1 A 79 79 CYS CB C 79 28.102 27.972 0.130 1
1 848 . 6 1 1 A 79 79 CYS N N 79 125.160 125.903 -0.743 1
1 849 . 6 1 1 A 80 80 LEU H H 80 8.417 8.264 0.153 1
1 850 . 6 1 1 A 80 80 LEU HA H 80 4.377 4.669 -0.292 1
1 860 . 6 1 1 A 80 80 LEU C C 80 175.846 175.525 0.321 1
1 861 . 6 1 1 A 80 80 LEU CA C 80 54.400 53.164 1.236 1
1 862 . 6 1 1 A 80 80 LEU CB C 80 41.520 42.368 -0.848 1
1 866 . 6 1 1 A 80 80 LEU N N 80 123.584 126.202 -2.618 1
1 867 . 6 1 1 A 81 81 TYR H H 81 8.090 8.395 -0.305 1
1 868 . 6 1 1 A 81 81 TYR HA H 81 5.085 4.779 0.306 1
1 875 . 6 1 1 A 81 81 TYR C C 81 175.341 173.974 1.367 1
1 876 . 6 1 1 A 81 81 TYR CA C 81 55.561 56.313 -0.752 1
1 877 . 6 1 1 A 81 81 TYR CB C 81 36.792 38.167 -1.375 1
1 882 . 6 1 1 A 81 81 TYR N N 81 123.717 125.022 -1.305 1
1 883 . 6 1 1 A 82 82 PRO HA H 82 4.358 4.320 0.038 1
1 890 . 6 1 1 A 82 82 PRO CA C 82 64.469 63.677 0.792 1
1 891 . 6 1 1 A 82 82 PRO CB C 82 31.395 31.382 0.013 1
1 894 . 6 1 1 A 83 83 GLY HA2 H 83 4.164 3.964 0.200 1
1 895 . 6 1 1 A 83 83 GLY HA3 H 83 3.880 3.968 -0.088 1
1 896 . 6 1 1 A 83 83 GLY C C 83 174.832 173.855 0.977 1
1 897 . 6 1 1 A 83 83 GLY CA C 83 45.437 46.456 -1.019 1
1 898 . 6 1 1 A 84 84 GLY H H 84 7.641 8.020 -0.379 1
1 899 . 6 1 1 A 84 84 GLY HA2 H 84 4.581 4.165 0.416 1
1 900 . 6 1 1 A 84 84 GLY HA3 H 84 3.788 4.176 -0.388 1
1 901 . 6 1 1 A 84 84 GLY C C 84 174.354 172.931 1.423 1
1 902 . 6 1 1 A 84 84 GLY CA C 84 44.801 45.330 -0.529 1
1 903 . 6 1 1 A 84 84 GLY N N 84 107.816 107.510 0.306 1
1 904 . 6 1 1 A 85 85 GLY H H 85 8.303 8.435 -0.132 1
1 905 . 6 1 1 A 85 85 GLY HA2 H 85 4.322 4.203 0.119 1
1 906 . 6 1 1 A 85 85 GLY HA3 H 85 4.113 4.233 -0.120 1
1 907 . 6 1 1 A 85 85 GLY C C 85 172.757 171.578 1.179 1
1 908 . 6 1 1 A 85 85 GLY CA C 85 44.602 44.547 0.055 1
1 909 . 6 1 1 A 85 85 GLY N N 85 108.998 110.515 -1.517 1
1 910 . 6 1 1 A 86 86 SER H H 86 8.361 8.504 -0.143 1
1 911 . 6 1 1 A 86 86 SER HA H 86 5.024 5.452 -0.428 1
1 914 . 6 1 1 A 86 86 SER C C 86 173.484 172.763 0.721 1
1 915 . 6 1 1 A 86 86 SER CA C 86 57.738 57.773 -0.035 1
1 916 . 6 1 1 A 86 86 SER CB C 86 66.693 66.203 0.490 1
1 917 . 6 1 1 A 86 86 SER N N 86 111.910 113.601 -1.691 1
1 918 . 6 1 1 A 87 87 SER H H 87 8.105 8.604 -0.499 1
1 919 . 6 1 1 A 87 87 SER HA H 87 4.827 4.934 -0.107 1
1 922 . 6 1 1 A 87 87 SER C C 87 173.377 172.131 1.246 1
1 923 . 6 1 1 A 87 87 SER CA C 87 57.737 57.025 0.712 1
1 924 . 6 1 1 A 87 87 SER CB C 87 65.849 64.982 0.867 1
1 925 . 6 1 1 A 87 87 SER N N 87 112.598 115.642 -3.044 1
1 926 . 6 1 1 A 88 88 THR H H 88 8.778 8.806 -0.028 1
1 927 . 6 1 1 A 88 88 THR HA H 88 5.439 4.920 0.519 1
1 932 . 6 1 1 A 88 88 THR C C 88 173.289 173.135 0.154 1
1 933 . 6 1 1 A 88 88 THR CA C 88 62.083 61.641 0.442 1
1 934 . 6 1 1 A 88 88 THR CB C 88 72.001 71.312 0.689 1
1 936 . 6 1 1 A 88 88 THR N N 88 120.383 117.254 3.129 1
1 937 . 6 1 1 A 89 89 LEU H H 89 8.832 8.927 -0.095 1
1 938 . 6 1 1 A 89 89 LEU HA H 89 4.766 4.965 -0.199 1
1 948 . 6 1 1 A 89 89 LEU C C 89 175.440 176.735 -1.295 1
1 949 . 6 1 1 A 89 89 LEU CA C 89 53.671 53.804 -0.133 1
1 950 . 6 1 1 A 89 89 LEU CB C 89 45.972 41.987 3.985 1
1 954 . 6 1 1 A 89 89 LEU N N 89 128.653 128.255 0.398 1
1 955 . 6 1 1 A 90 90 THR H H 90 8.576 8.745 -0.169 1
1 956 . 6 1 1 A 90 90 THR HA H 90 5.622 5.339 0.283 1
1 961 . 6 1 1 A 90 90 THR C C 90 174.307 174.543 -0.236 1
1 962 . 6 1 1 A 90 90 THR CA C 90 60.799 60.759 0.040 1
1 963 . 6 1 1 A 90 90 THR CB C 90 71.589 70.371 1.218 1
1 965 . 6 1 1 A 90 90 THR N N 90 115.259 117.415 -2.156 1
1 966 . 6 1 1 A 91 91 GLY H H 91 9.071 9.089 -0.018 1
1 967 . 6 1 1 A 91 91 GLY HA2 H 91 4.605 4.420 0.185 1
1 968 . 6 1 1 A 91 91 GLY HA3 H 91 3.960 4.514 -0.554 1
1 969 . 6 1 1 A 91 91 GLY C C 91 170.717 172.113 -1.396 1
1 970 . 6 1 1 A 91 91 GLY CA C 91 45.314 45.187 0.127 1
1 971 . 6 1 1 A 91 91 GLY N N 91 112.300 109.203 3.097 1
1 972 . 6 1 1 A 92 92 ARG H H 92 8.558 8.640 -0.082 1
1 973 . 6 1 1 A 92 92 ARG HA H 92 5.594 4.858 0.736 1
1 980 . 6 1 1 A 92 92 ARG C C 92 173.260 175.167 -1.907 1
1 981 . 6 1 1 A 92 92 ARG CA C 92 54.806 56.083 -1.277 1
1 982 . 6 1 1 A 92 92 ARG CB C 92 34.464 31.417 3.047 1
1 985 . 6 1 1 A 92 92 ARG N N 92 119.774 124.402 -4.628 1
1 986 . 6 1 1 A 93 93 VAL H H 93 8.430 8.431 -0.001 1
1 987 . 6 1 1 A 93 93 VAL HA H 93 4.081 4.337 -0.256 1
1 995 . 6 1 1 A 93 93 VAL C C 93 171.210 173.560 -2.350 1
1 996 . 6 1 1 A 93 93 VAL CA C 93 58.915 59.949 -1.034 1
1 997 . 6 1 1 A 93 93 VAL CB C 93 33.683 34.371 -0.688 1
1 1000 . 6 1 1 A 93 93 VAL N N 93 120.381 119.984 0.397 1
1 1001 . 6 1 1 A 94 94 THR H H 94 8.129 8.699 -0.570 1
1 1002 . 6 1 1 A 94 94 THR HA H 94 5.342 4.905 0.437 1
1 1007 . 6 1 1 A 94 94 THR C C 94 174.637 174.586 0.051 1
1 1008 . 6 1 1 A 94 94 THR CA C 94 60.799 62.052 -1.253 1
1 1009 . 6 1 1 A 94 94 THR CB C 94 70.768 69.241 1.527 1
1 1011 . 6 1 1 A 94 94 THR N N 94 124.645 124.480 0.165 1
1 1012 . 6 1 1 A 95 95 THR H H 95 8.906 8.472 0.434 1
1 1013 . 6 1 1 A 95 95 THR HA H 95 4.115 4.328 -0.213 1
1 1018 . 6 1 1 A 95 95 THR C C 95 175.367 174.211 1.156 1
1 1019 . 6 1 1 A 95 95 THR CA C 95 60.909 62.100 -1.191 1
1 1020 . 6 1 1 A 95 95 THR CB C 95 70.346 70.173 0.173 1
1 1022 . 6 1 1 A 95 95 THR N N 95 116.835 121.067 -4.232 1
1 1023 . 6 1 1 A 96 96 LYS H H 96 7.372 8.530 -1.158 1
1 1024 . 6 1 1 A 96 96 LYS HA H 96 4.189 4.402 -0.213 1
1 1033 . 6 1 1 A 96 96 LYS C C 96 176.308 176.892 -0.584 1
1 1034 . 6 1 1 A 96 96 LYS CA C 96 55.207 55.925 -0.718 1
1 1035 . 6 1 1 A 96 96 LYS CB C 96 34.095 33.570 0.525 1
1 1039 . 6 1 1 A 96 96 LYS N N 96 116.829 122.105 -5.276 1
1 1040 . 6 1 1 A 97 97 LYS H H 97 8.113 8.572 -0.459 1
1 1041 . 6 1 1 A 97 97 LYS HA H 97 4.356 4.609 -0.253 1
1 1050 . 6 1 1 A 97 97 LYS C C 97 176.106 176.542 -0.436 1
1 1051 . 6 1 1 A 97 97 LYS CA C 97 56.260 55.605 0.655 1
1 1052 . 6 1 1 A 97 97 LYS CB C 97 33.140 34.092 -0.952 1
1 1056 . 6 1 1 A 97 97 LYS N N 97 119.233 121.104 -1.871 1
1 1057 . 6 1 1 A 98 98 ALA H H 98 8.484 8.731 -0.247 1
1 1058 . 6 1 1 A 98 98 ALA HA H 98 4.054 4.016 0.038 1
1 1062 . 6 1 1 A 98 98 ALA C C 98 175.754 177.468 -1.714 1
1 1063 . 6 1 1 A 98 98 ALA CA C 98 50.511 50.306 0.205 1
1 1064 . 6 1 1 A 98 98 ALA CB C 98 17.093 18.338 -1.245 1
1 1065 . 6 1 1 A 98 98 ALA N N 98 126.424 125.864 0.560 1
1 1066 . 6 1 1 A 99 99 PRO HA H 99 4.313 4.287 0.026 1
1 1073 . 6 1 1 A 99 99 PRO C C 99 176.506 176.872 -0.366 1
1 1074 . 6 1 1 A 99 99 PRO CA C 99 62.584 64.615 -2.031 1
1 1075 . 6 1 1 A 99 99 PRO CB C 99 32.024 31.869 0.155 1
1 1078 . 6 1 1 A 100 100 SER H H 100 8.377 7.993 0.384 1
1 1079 . 6 1 1 A 100 100 SER HA H 100 4.688 4.204 0.484 1
1 1082 . 6 1 1 A 100 100 SER CA C 100 56.296 58.494 -2.198 1
1 1083 . 6 1 1 A 100 100 SER CB C 100 63.276 61.584 1.692 1
1 1084 . 6 1 1 A 100 100 SER N N 100 117.700 110.995 6.705 1
1 1086 . 6 1 1 A 103 103 SER HA H 103 4.507 4.409 0.098 1
1 1089 . 6 1 1 A 103 103 SER CA C 103 58.198 60.631 -2.433 1
1 1090 . 6 1 1 A 103 103 SER CB C 103 63.882 63.447 0.435 1
1 1091 . 6 1 1 A 104 104 GLY H H 104 8.233 8.375 -0.142 1
1 1092 . 6 1 1 A 104 104 GLY HA2 H 104 4.124 3.894 0.230 1
1 1093 . 6 1 1 A 104 104 GLY HA3 H 104 4.124 3.895 0.229 1
1 1094 . 6 1 1 A 104 104 GLY CA C 104 44.608 46.362 -1.754 1
1 1095 . 6 1 1 A 104 104 GLY N N 104 110.600 109.715 0.885 1
1 1096 . 6 1 1 A 105 105 PRO HA H 105 4.460 4.422 0.038 1
1 1103 . 6 1 1 A 105 105 PRO CA C 105 63.264 64.551 -1.287 1
1 1104 . 6 1 1 A 105 105 PRO CB C 105 32.094 32.203 -0.109 1
1 1 . 7 1 1 A 6 6 SER HA H 6 4.470 4.611 -0.141 1
1 3 . 7 1 1 A 6 6 SER C C 6 175.031 173.794 1.237 1
1 4 . 7 1 1 A 6 6 SER CA C 6 58.687 57.138 1.549 1
1 5 . 7 1 1 A 6 6 SER CB C 6 63.635 63.325 0.310 1
1 6 . 7 1 1 A 7 7 GLY H H 7 8.390 8.667 -0.277 1
1 7 . 7 1 1 A 7 7 GLY HA2 H 7 3.941 4.229 -0.288 1
1 8 . 7 1 1 A 7 7 GLY HA3 H 7 3.941 4.229 -0.288 1
1 9 . 7 1 1 A 7 7 GLY C C 7 173.892 172.914 0.978 1
1 10 . 7 1 1 A 7 7 GLY CA C 7 45.348 45.492 -0.144 1
1 11 . 7 1 1 A 7 7 GLY N N 7 110.659 114.243 -3.584 1
1 12 . 7 1 1 A 8 8 LEU H H 8 8.017 8.816 -0.799 1
1 13 . 7 1 1 A 8 8 LEU HA H 8 4.347 4.743 -0.396 1
1 23 . 7 1 1 A 8 8 LEU C C 8 176.816 176.214 0.602 1
1 24 . 7 1 1 A 8 8 LEU CA C 8 54.760 54.103 0.657 1
1 25 . 7 1 1 A 8 8 LEU CB C 8 42.565 41.817 0.748 1
1 29 . 7 1 1 A 8 8 LEU N N 8 121.546 126.090 -4.544 1
1 30 . 7 1 1 A 9 9 ALA H H 9 8.291 8.573 -0.282 1
1 31 . 7 1 1 A 9 9 ALA HA H 9 4.589 4.497 0.092 1
1 35 . 7 1 1 A 9 9 ALA C C 9 174.928 175.744 -0.816 1
1 36 . 7 1 1 A 9 9 ALA CA C 9 50.381 50.746 -0.365 1
1 37 . 7 1 1 A 9 9 ALA CB C 9 18.293 17.948 0.345 1
1 38 . 7 1 1 A 9 9 ALA N N 9 126.618 128.723 -2.105 1
1 39 . 7 1 1 A 10 10 PRO HA H 10 4.708 4.689 0.019 1
1 45 . 7 1 1 A 10 10 PRO CA C 10 61.347 61.972 -0.625 1
1 46 . 7 1 1 A 10 10 PRO CB C 10 30.783 32.177 -1.394 1
1 49 . 7 1 1 A 11 11 PRO HA H 11 4.442 4.405 0.037 1
1 56 . 7 1 1 A 11 11 PRO C C 11 176.585 176.670 -0.085 1
1 57 . 7 1 1 A 11 11 PRO CA C 11 63.016 64.953 -1.937 1
1 58 . 7 1 1 A 11 11 PRO CB C 11 32.096 32.237 -0.141 1
1 61 . 7 1 1 A 12 12 ARG H H 12 8.348 7.706 0.642 1
1 62 . 7 1 1 A 12 12 ARG HA H 12 4.405 5.059 -0.654 1
1 69 . 7 1 1 A 12 12 ARG C C 12 175.204 173.561 1.643 1
1 70 . 7 1 1 A 12 12 ARG CA C 12 55.797 54.194 1.603 1
1 71 . 7 1 1 A 12 12 ARG CB C 12 32.052 35.281 -3.229 1
1 74 . 7 1 1 A 12 12 ARG N N 12 120.519 117.917 2.602 1
1 75 . 7 1 1 A 13 13 HIS H H 13 8.296 8.889 -0.593 1
1 76 . 7 1 1 A 13 13 HIS HA H 13 4.815 5.293 -0.478 1
1 81 . 7 1 1 A 13 13 HIS C C 13 174.544 174.087 0.457 1
1 82 . 7 1 1 A 13 13 HIS CA C 13 55.783 54.254 1.529 1
1 83 . 7 1 1 A 13 13 HIS CB C 13 32.469 33.120 -0.651 1
1 86 . 7 1 1 A 13 13 HIS N N 13 118.569 121.274 -2.705 1
1 87 . 7 1 1 A 14 14 LEU H H 14 8.209 8.377 -0.168 1
1 88 . 7 1 1 A 14 14 LEU HA H 14 4.655 4.460 0.195 1
1 98 . 7 1 1 A 14 14 LEU C C 14 175.977 175.543 0.434 1
1 99 . 7 1 1 A 14 14 LEU CA C 14 53.935 53.815 0.120 1
1 100 . 7 1 1 A 14 14 LEU CB C 14 44.113 43.290 0.823 1
1 104 . 7 1 1 A 14 14 LEU N N 14 120.625 125.812 -5.187 1
1 105 . 7 1 1 A 15 15 GLY H H 15 7.988 7.939 0.049 1
1 106 . 7 1 1 A 15 15 GLY HA2 H 15 4.008 3.377 0.631 1
1 107 . 7 1 1 A 15 15 GLY HA3 H 15 2.486 3.841 -1.355 1
1 108 . 7 1 1 A 15 15 GLY C C 15 170.056 171.013 -0.957 1
1 109 . 7 1 1 A 15 15 GLY CA C 15 43.188 43.657 -0.469 1
1 110 . 7 1 1 A 15 15 GLY N N 15 111.142 108.525 2.617 1
1 111 . 7 1 1 A 16 16 PHE H H 16 8.078 8.571 -0.493 1
1 112 . 7 1 1 A 16 16 PHE HA H 16 5.830 5.633 0.197 1
1 120 . 7 1 1 A 16 16 PHE C C 16 175.968 174.294 1.674 1
1 121 . 7 1 1 A 16 16 PHE CA C 16 56.048 56.033 0.015 1
1 122 . 7 1 1 A 16 16 PHE CB C 16 43.353 41.424 1.929 1
1 128 . 7 1 1 A 16 16 PHE N N 16 114.388 122.739 -8.351 1
1 129 . 7 1 1 A 17 17 SER H H 17 9.811 8.988 0.823 1
1 130 . 7 1 1 A 17 17 SER HA H 17 4.883 5.090 -0.207 1
1 133 . 7 1 1 A 17 17 SER C C 17 171.638 172.617 -0.979 1
1 134 . 7 1 1 A 17 17 SER CA C 17 57.073 55.897 1.176 1
1 135 . 7 1 1 A 17 17 SER CB C 17 66.893 66.642 0.251 1
1 136 . 7 1 1 A 17 17 SER N N 17 118.688 118.037 0.651 1
1 137 . 7 1 1 A 18 18 ASP H H 18 9.001 8.742 0.259 1
1 138 . 7 1 1 A 18 18 ASP HA H 18 4.171 4.096 0.075 1
1 141 . 7 1 1 A 18 18 ASP C C 18 174.520 175.315 -0.795 1
1 142 . 7 1 1 A 18 18 ASP CA C 18 55.333 55.037 0.296 1
1 143 . 7 1 1 A 18 18 ASP CB C 18 40.075 39.269 0.806 1
1 144 . 7 1 1 A 18 18 ASP N N 18 116.878 121.226 -4.348 1
1 145 . 7 1 1 A 19 19 VAL H H 19 8.202 8.020 0.182 1
1 146 . 7 1 1 A 19 19 VAL HA H 19 4.169 4.079 0.090 1
1 154 . 7 1 1 A 19 19 VAL C C 19 176.641 175.838 0.803 1
1 155 . 7 1 1 A 19 19 VAL CA C 19 63.962 63.477 0.485 1
1 156 . 7 1 1 A 19 19 VAL CB C 19 31.236 31.559 -0.323 1
1 159 . 7 1 1 A 19 19 VAL N N 19 117.253 119.741 -2.488 1
1 160 . 7 1 1 A 20 20 SER H H 20 9.066 8.872 0.194 1
1 161 . 7 1 1 A 20 20 SER HA H 20 5.061 4.839 0.222 1
1 164 . 7 1 1 A 20 20 SER C C 20 174.081 175.219 -1.138 1
1 165 . 7 1 1 A 20 20 SER CA C 20 55.582 57.134 -1.552 1
1 166 . 7 1 1 A 20 20 SER CB C 20 65.090 66.362 -1.272 1
1 167 . 7 1 1 A 20 20 SER N N 20 126.686 121.360 5.326 1
1 168 . 7 1 1 A 21 21 HIS H H 21 8.635 8.643 -0.008 1
1 169 . 7 1 1 A 21 21 HIS HA H 21 4.895 4.752 0.143 1
1 174 . 7 1 1 A 21 21 HIS C C 21 175.242 175.205 0.037 1
1 175 . 7 1 1 A 21 21 HIS CA C 21 56.934 57.479 -0.545 1
1 176 . 7 1 1 A 21 21 HIS CB C 21 30.651 29.478 1.173 1
1 179 . 7 1 1 A 21 21 HIS N N 21 117.241 120.973 -3.732 1
1 180 . 7 1 1 A 22 22 ASP H H 22 7.400 7.695 -0.295 1
1 181 . 7 1 1 A 22 22 ASP HA H 22 4.803 5.037 -0.234 1
1 184 . 7 1 1 A 22 22 ASP C C 22 176.754 175.034 1.720 1
1 185 . 7 1 1 A 22 22 ASP CA C 22 52.316 53.230 -0.914 1
1 186 . 7 1 1 A 22 22 ASP CB C 22 41.697 41.432 0.265 1
1 187 . 7 1 1 A 22 22 ASP N N 22 115.766 116.255 -0.489 1
1 188 . 7 1 1 A 23 23 ALA H H 23 7.379 7.435 -0.056 1
1 189 . 7 1 1 A 23 23 ALA HA H 23 4.753 4.646 0.107 1
1 193 . 7 1 1 A 23 23 ALA C C 23 174.757 175.134 -0.377 1
1 194 . 7 1 1 A 23 23 ALA CA C 23 51.613 51.499 0.114 1
1 195 . 7 1 1 A 23 23 ALA CB C 23 22.882 22.355 0.527 1
1 196 . 7 1 1 A 23 23 ALA N N 23 122.521 119.897 2.624 1
1 197 . 7 1 1 A 24 24 ALA H H 24 7.745 8.068 -0.323 1
1 198 . 7 1 1 A 24 24 ALA HA H 24 4.593 4.843 -0.250 1
1 202 . 7 1 1 A 24 24 ALA C C 24 173.662 175.303 -1.641 1
1 203 . 7 1 1 A 24 24 ALA CA C 24 52.233 51.915 0.318 1
1 204 . 7 1 1 A 24 24 ALA CB C 24 22.894 22.206 0.688 1
1 205 . 7 1 1 A 24 24 ALA N N 24 115.485 120.283 -4.798 1
1 206 . 7 1 1 A 25 25 ARG H H 25 8.690 8.219 0.471 1
1 207 . 7 1 1 A 25 25 ARG HA H 25 5.209 4.826 0.383 1
1 214 . 7 1 1 A 25 25 ARG C C 25 174.777 175.074 -0.297 1
1 215 . 7 1 1 A 25 25 ARG CA C 25 55.161 55.465 -0.304 1
1 216 . 7 1 1 A 25 25 ARG CB C 25 32.329 31.436 0.893 1
1 219 . 7 1 1 A 25 25 ARG N N 25 122.853 123.742 -0.889 1
1 220 . 7 1 1 A 26 26 VAL H H 26 8.865 9.279 -0.414 1
1 221 . 7 1 1 A 26 26 VAL HA H 26 5.120 4.946 0.174 1
1 229 . 7 1 1 A 26 26 VAL C C 26 172.428 175.120 -2.692 1
1 230 . 7 1 1 A 26 26 VAL CA C 26 57.420 60.071 -2.651 1
1 231 . 7 1 1 A 26 26 VAL CB C 26 34.734 34.157 0.577 1
1 234 . 7 1 1 A 26 26 VAL N N 26 125.534 127.508 -1.974 1
1 235 . 7 1 1 A 27 27 PHE H H 27 8.520 8.788 -0.268 1
1 236 . 7 1 1 A 27 27 PHE HA H 27 5.039 4.928 0.111 1
1 244 . 7 1 1 A 27 27 PHE C C 27 172.979 172.894 0.085 1
1 245 . 7 1 1 A 27 27 PHE CA C 27 56.293 55.002 1.291 1
1 246 . 7 1 1 A 27 27 PHE CB C 27 42.190 41.744 0.446 1
1 252 . 7 1 1 A 27 27 PHE N N 27 123.552 123.756 -0.204 1
1 253 . 7 1 1 A 28 28 TRP H H 28 7.813 7.779 0.034 1
1 254 . 7 1 1 A 28 28 TRP HA H 28 5.058 5.252 -0.194 1
1 263 . 7 1 1 A 28 28 TRP C C 28 174.131 175.679 -1.548 1
1 264 . 7 1 1 A 28 28 TRP CA C 28 55.730 54.672 1.058 1
1 265 . 7 1 1 A 28 28 TRP CB C 28 30.997 32.153 -1.156 1
1 271 . 7 1 1 A 28 28 TRP N N 28 116.968 117.509 -0.541 1
1 273 . 7 1 1 A 29 29 GLU H H 29 8.362 9.210 -0.848 1
1 274 . 7 1 1 A 29 29 GLU HA H 29 4.356 4.506 -0.150 1
1 279 . 7 1 1 A 29 29 GLU C C 29 177.125 176.901 0.224 1
1 280 . 7 1 1 A 29 29 GLU CA C 29 55.820 56.113 -0.293 1
1 281 . 7 1 1 A 29 29 GLU CB C 29 31.085 30.003 1.082 1
1 283 . 7 1 1 A 29 29 GLU N N 29 119.239 117.032 2.207 1
1 284 . 7 1 1 A 30 30 GLY H H 30 8.729 8.273 0.456 1
1 285 . 7 1 1 A 30 30 GLY HA2 H 30 4.051 4.189 -0.138 1
1 286 . 7 1 1 A 30 30 GLY HA3 H 30 3.781 4.403 -0.622 1
1 287 . 7 1 1 A 30 30 GLY C C 30 173.621 173.266 0.355 1
1 288 . 7 1 1 A 30 30 GLY CA C 30 45.559 44.935 0.624 1
1 289 . 7 1 1 A 30 30 GLY N N 30 110.979 108.855 2.124 1
1 290 . 7 1 1 A 31 31 ALA H H 31 8.747 8.550 0.197 1
1 291 . 7 1 1 A 31 31 ALA HA H 31 4.577 4.679 -0.102 1
1 295 . 7 1 1 A 31 31 ALA C C 31 177.064 177.856 -0.792 1
1 296 . 7 1 1 A 31 31 ALA CA C 31 50.416 50.712 -0.296 1
1 297 . 7 1 1 A 31 31 ALA CB C 31 19.221 18.570 0.651 1
1 298 . 7 1 1 A 31 31 ALA N N 31 126.357 124.684 1.673 1
1 299 . 7 1 1 A 32 32 PRO HA H 32 4.630 4.503 0.127 1
1 306 . 7 1 1 A 32 32 PRO C C 32 175.001 175.141 -0.140 1
1 307 . 7 1 1 A 32 32 PRO CA C 32 63.368 64.011 -0.643 1
1 308 . 7 1 1 A 32 32 PRO CB C 32 30.738 31.523 -0.785 1
1 311 . 7 1 1 A 33 33 ARG H H 33 7.418 7.372 0.046 1
1 312 . 7 1 1 A 33 33 ARG HA H 33 4.746 4.899 -0.153 1
1 319 . 7 1 1 A 33 33 ARG C C 33 172.695 174.020 -1.325 1
1 320 . 7 1 1 A 33 33 ARG CA C 33 53.205 53.493 -0.288 1
1 321 . 7 1 1 A 33 33 ARG CB C 33 30.414 32.540 -2.126 1
1 324 . 7 1 1 A 33 33 ARG N N 33 117.994 114.366 3.628 1
1 325 . 7 1 1 A 34 34 PRO HA H 34 4.273 4.763 -0.490 1
1 332 . 7 1 1 A 34 34 PRO C C 34 175.342 176.233 -0.891 1
1 333 . 7 1 1 A 34 34 PRO CA C 34 64.037 62.624 1.413 1
1 334 . 7 1 1 A 34 34 PRO CB C 34 32.581 32.478 0.103 1
1 337 . 7 1 1 A 35 35 VAL H H 35 8.264 8.677 -0.413 1
1 338 . 7 1 1 A 35 35 VAL HA H 35 4.237 4.919 -0.682 1
1 346 . 7 1 1 A 35 35 VAL C C 35 175.771 175.731 0.040 1
1 347 . 7 1 1 A 35 35 VAL CA C 35 61.890 60.530 1.360 1
1 348 . 7 1 1 A 35 35 VAL CB C 35 35.092 35.698 -0.606 1
1 351 . 7 1 1 A 35 35 VAL N N 35 122.377 121.999 0.378 1
1 352 . 7 1 1 A 36 36 ARG H H 36 9.278 8.232 1.046 1
1 353 . 7 1 1 A 36 36 ARG HA H 36 4.426 4.600 -0.174 1
1 360 . 7 1 1 A 36 36 ARG C C 36 175.620 176.084 -0.464 1
1 361 . 7 1 1 A 36 36 ARG CA C 36 57.672 56.923 0.749 1
1 362 . 7 1 1 A 36 36 ARG CB C 36 31.595 31.733 -0.138 1
1 365 . 7 1 1 A 36 36 ARG N N 36 125.821 122.094 3.727 1
1 366 . 7 1 1 A 37 37 LEU H H 37 7.525 7.020 0.505 1
1 367 . 7 1 1 A 37 37 LEU HA H 37 4.403 4.841 -0.438 1
1 377 . 7 1 1 A 37 37 LEU C C 37 172.405 174.100 -1.695 1
1 378 . 7 1 1 A 37 37 LEU CA C 37 54.913 54.209 0.704 1
1 379 . 7 1 1 A 37 37 LEU CB C 37 46.166 46.030 0.136 1
1 383 . 7 1 1 A 37 37 LEU N N 37 119.761 119.531 0.230 1
1 384 . 7 1 1 A 38 38 VAL H H 38 8.513 8.795 -0.282 1
1 385 . 7 1 1 A 38 38 VAL HA H 38 4.790 4.660 0.130 1
1 393 . 7 1 1 A 38 38 VAL C C 38 174.595 174.697 -0.102 1
1 394 . 7 1 1 A 38 38 VAL CA C 38 60.992 61.420 -0.428 1
1 395 . 7 1 1 A 38 38 VAL CB C 38 33.979 34.562 -0.583 1
1 398 . 7 1 1 A 38 38 VAL N N 38 123.604 125.259 -1.655 1
1 399 . 7 1 1 A 39 39 ARG H H 39 9.025 8.904 0.121 1
1 400 . 7 1 1 A 39 39 ARG HA H 39 4.839 5.024 -0.185 1
1 407 . 7 1 1 A 39 39 ARG C C 39 174.581 175.365 -0.784 1
1 408 . 7 1 1 A 39 39 ARG CA C 39 55.150 54.727 0.423 1
1 409 . 7 1 1 A 39 39 ARG CB C 39 32.919 33.140 -0.221 1
1 412 . 7 1 1 A 39 39 ARG N N 39 126.442 127.099 -0.657 1
1 413 . 7 1 1 A 40 40 VAL H H 40 9.059 9.079 -0.020 1
1 414 . 7 1 1 A 40 40 VAL HA H 40 5.177 5.235 -0.058 1
1 422 . 7 1 1 A 40 40 VAL C C 40 175.508 175.258 0.250 1
1 423 . 7 1 1 A 40 40 VAL CA C 40 60.513 61.057 -0.544 1
1 424 . 7 1 1 A 40 40 VAL CB C 40 33.390 34.926 -1.536 1
1 427 . 7 1 1 A 40 40 VAL N N 40 127.219 122.785 4.434 1
1 428 . 7 1 1 A 41 41 THR H H 41 9.244 9.036 0.208 1
1 429 . 7 1 1 A 41 41 THR HA H 41 5.056 5.688 -0.632 1
1 434 . 7 1 1 A 41 41 THR C C 41 173.323 173.613 -0.290 1
1 435 . 7 1 1 A 41 41 THR CA C 41 59.618 60.252 -0.634 1
1 436 . 7 1 1 A 41 41 THR CB C 41 71.668 71.344 0.324 1
1 438 . 7 1 1 A 41 41 THR N N 41 117.579 119.792 -2.213 1
1 439 . 7 1 1 A 42 42 TYR H H 42 7.955 8.447 -0.492 1
1 440 . 7 1 1 A 42 42 TYR HA H 42 5.825 6.172 -0.347 1
1 447 . 7 1 1 A 42 42 TYR C C 42 173.794 173.477 0.317 1
1 448 . 7 1 1 A 42 42 TYR CA C 42 54.314 55.185 -0.871 1
1 449 . 7 1 1 A 42 42 TYR CB C 42 39.788 42.283 -2.495 1
1 454 . 7 1 1 A 42 42 TYR N N 42 117.304 119.190 -1.886 1
1 455 . 7 1 1 A 43 43 VAL H H 43 8.547 8.528 0.019 1
1 456 . 7 1 1 A 43 43 VAL HA H 43 5.069 4.579 0.490 1
1 464 . 7 1 1 A 43 43 VAL C C 43 174.912 172.966 1.946 1
1 465 . 7 1 1 A 43 43 VAL CA C 43 60.142 60.515 -0.373 1
1 466 . 7 1 1 A 43 43 VAL CB C 43 35.329 35.307 0.022 1
1 469 . 7 1 1 A 43 43 VAL N N 43 119.038 121.000 -1.962 1
1 470 . 7 1 1 A 44 44 SER H H 44 9.123 8.499 0.624 1
1 471 . 7 1 1 A 44 44 SER HA H 44 4.307 3.298 1.009 1
1 474 . 7 1 1 A 44 44 SER C C 44 176.777 173.829 2.948 1
1 475 . 7 1 1 A 44 44 SER CA C 44 57.838 58.016 -0.178 1
1 476 . 7 1 1 A 44 44 SER CB C 44 64.064 63.097 0.967 1
1 477 . 7 1 1 A 44 44 SER N N 44 124.942 122.093 2.849 1
1 478 . 7 1 1 A 45 45 SER H H 45 8.562 7.948 0.614 1
1 479 . 7 1 1 A 45 45 SER HA H 45 4.175 4.249 -0.074 1
1 482 . 7 1 1 A 45 45 SER C C 45 175.366 174.265 1.101 1
1 483 . 7 1 1 A 45 45 SER CA C 45 61.239 58.581 2.658 1
1 484 . 7 1 1 A 45 45 SER CB C 45 62.976 62.981 -0.005 1
1 485 . 7 1 1 A 45 45 SER N N 45 119.157 119.276 -0.119 1
1 486 . 7 1 1 A 46 46 GLU H H 46 8.321 9.499 -1.178 1
1 487 . 7 1 1 A 46 46 GLU HA H 46 4.442 3.993 0.449 1
1 492 . 7 1 1 A 46 46 GLU C C 46 177.463 176.726 0.737 1
1 493 . 7 1 1 A 46 46 GLU CA C 46 56.409 57.591 -1.182 1
1 494 . 7 1 1 A 46 46 GLU CB C 46 29.633 28.232 1.401 1
1 496 . 7 1 1 A 46 46 GLU N N 46 119.112 119.068 0.044 1
1 497 . 7 1 1 A 47 47 GLY H H 47 8.129 8.204 -0.075 1
1 498 . 7 1 1 A 47 47 GLY HA2 H 47 4.150 3.946 0.204 1
1 499 . 7 1 1 A 47 47 GLY HA3 H 47 3.646 3.966 -0.320 1
1 500 . 7 1 1 A 47 47 GLY C C 47 175.047 173.495 1.552 1
1 501 . 7 1 1 A 47 47 GLY CA C 47 45.400 44.706 0.694 1
1 502 . 7 1 1 A 47 47 GLY N N 47 109.344 105.438 3.906 1
1 503 . 7 1 1 A 48 48 GLY H H 48 7.927 8.275 -0.348 1
1 504 . 7 1 1 A 48 48 GLY HA2 H 48 3.982 4.164 -0.182 1
1 505 . 7 1 1 A 48 48 GLY HA3 H 48 3.855 4.189 -0.334 1
1 506 . 7 1 1 A 48 48 GLY C C 48 173.614 172.382 1.232 1
1 507 . 7 1 1 A 48 48 GLY CA C 48 46.073 45.225 0.848 1
1 508 . 7 1 1 A 48 48 GLY N N 48 107.840 107.310 0.530 1
1 509 . 7 1 1 A 49 49 HIS H H 49 7.985 8.422 -0.437 1
1 510 . 7 1 1 A 49 49 HIS HA H 49 4.951 4.773 0.178 1
1 515 . 7 1 1 A 49 49 HIS C C 49 173.760 174.060 -0.300 1
1 516 . 7 1 1 A 49 49 HIS CA C 49 56.608 54.997 1.611 1
1 517 . 7 1 1 A 49 49 HIS CB C 49 33.119 29.927 3.192 1
1 520 . 7 1 1 A 49 49 HIS N N 49 120.577 123.816 -3.239 1
1 521 . 7 1 1 A 50 50 SER H H 50 8.118 8.714 -0.596 1
1 522 . 7 1 1 A 50 50 SER HA H 50 5.184 5.391 -0.207 1
1 525 . 7 1 1 A 50 50 SER C C 50 172.582 174.271 -1.689 1
1 526 . 7 1 1 A 50 50 SER CA C 50 56.463 55.935 0.528 1
1 527 . 7 1 1 A 50 50 SER CB C 50 66.423 65.571 0.852 1
1 528 . 7 1 1 A 50 50 SER N N 50 120.879 120.081 0.798 1
1 529 . 7 1 1 A 51 51 GLY H H 51 7.900 7.895 0.005 1
1 530 . 7 1 1 A 51 51 GLY HA2 H 51 4.027 3.882 0.145 1
1 531 . 7 1 1 A 51 51 GLY HA3 H 51 3.236 4.308 -1.072 1
1 532 . 7 1 1 A 51 51 GLY C C 51 171.073 171.875 -0.802 1
1 533 . 7 1 1 A 51 51 GLY CA C 51 44.696 44.680 0.016 1
1 534 . 7 1 1 A 51 51 GLY N N 51 108.215 108.419 -0.204 1
1 535 . 7 1 1 A 52 52 GLN H H 52 8.256 8.520 -0.264 1
1 536 . 7 1 1 A 52 52 GLN HA H 52 5.308 5.374 -0.066 1
1 543 . 7 1 1 A 52 52 GLN C C 52 174.217 173.466 0.751 1
1 544 . 7 1 1 A 52 52 GLN CA C 52 54.516 54.848 -0.332 1
1 545 . 7 1 1 A 52 52 GLN CB C 52 32.541 32.210 0.331 1
1 547 . 7 1 1 A 52 52 GLN N N 52 115.667 119.696 -4.029 1
1 549 . 7 1 1 A 53 53 THR H H 53 9.298 9.509 -0.211 1
1 550 . 7 1 1 A 53 53 THR HA H 53 4.753 5.227 -0.474 1
1 555 . 7 1 1 A 53 53 THR C C 53 171.720 173.217 -1.497 1
1 556 . 7 1 1 A 53 53 THR CA C 53 60.869 59.574 1.295 1
1 557 . 7 1 1 A 53 53 THR CB C 53 70.580 72.286 -1.706 1
1 559 . 7 1 1 A 53 53 THR N N 53 117.486 121.265 -3.779 1
1 560 . 7 1 1 A 54 54 GLU H H 54 8.404 8.630 -0.226 1
1 561 . 7 1 1 A 54 54 GLU HA H 54 5.378 5.093 0.285 1
1 566 . 7 1 1 A 54 54 GLU C C 54 174.705 175.866 -1.161 1
1 567 . 7 1 1 A 54 54 GLU CA C 54 54.693 54.941 -0.248 1
1 568 . 7 1 1 A 54 54 GLU CB C 54 33.434 33.138 0.296 1
1 570 . 7 1 1 A 54 54 GLU N N 54 123.651 125.663 -2.012 1
1 571 . 7 1 1 A 55 55 ALA H H 55 9.471 9.067 0.404 1
1 572 . 7 1 1 A 55 55 ALA HA H 55 5.056 5.026 0.030 1
1 576 . 7 1 1 A 55 55 ALA C C 55 172.938 174.202 -1.264 1
1 577 . 7 1 1 A 55 55 ALA CA C 55 49.216 50.052 -0.836 1
1 578 . 7 1 1 A 55 55 ALA CB C 55 20.410 22.531 -2.121 1
1 579 . 7 1 1 A 55 55 ALA N N 55 126.815 123.645 3.170 1
1 580 . 7 1 1 A 56 56 PRO HA H 56 4.630 4.587 0.043 1
1 587 . 7 1 1 A 56 56 PRO C C 56 176.935 178.212 -1.277 1
1 588 . 7 1 1 A 56 56 PRO CA C 56 62.303 62.745 -0.442 1
1 589 . 7 1 1 A 56 56 PRO CB C 56 32.745 32.768 -0.023 1
1 592 . 7 1 1 A 57 57 GLY H H 57 8.240 8.616 -0.376 1
1 593 . 7 1 1 A 57 57 GLY HA2 H 57 3.839 3.886 -0.047 1
1 594 . 7 1 1 A 57 57 GLY HA3 H 57 3.547 3.894 -0.347 1
1 595 . 7 1 1 A 57 57 GLY C C 57 173.839 174.366 -0.527 1
1 596 . 7 1 1 A 57 57 GLY CA C 57 47.092 46.704 0.388 1
1 597 . 7 1 1 A 57 57 GLY N N 57 104.338 110.310 -5.972 1
1 598 . 7 1 1 A 58 58 ASN H H 58 7.935 8.198 -0.263 1
1 599 . 7 1 1 A 58 58 ASN HA H 58 4.778 4.852 -0.074 1
1 604 . 7 1 1 A 58 58 ASN C C 58 175.578 174.771 0.807 1
1 605 . 7 1 1 A 58 58 ASN CA C 58 52.176 52.191 -0.015 1
1 606 . 7 1 1 A 58 58 ASN CB C 58 37.384 37.852 -0.468 1
1 607 . 7 1 1 A 58 58 ASN N N 58 114.653 114.831 -0.178 1
1 609 . 7 1 1 A 59 59 ALA H H 59 8.041 7.938 0.103 1
1 610 . 7 1 1 A 59 59 ALA HA H 59 4.360 4.554 -0.194 1
1 614 . 7 1 1 A 59 59 ALA C C 59 177.738 178.286 -0.548 1
1 615 . 7 1 1 A 59 59 ALA CA C 59 52.792 51.049 1.743 1
1 616 . 7 1 1 A 59 59 ALA CB C 59 20.834 19.922 0.912 1
1 617 . 7 1 1 A 59 59 ALA N N 59 124.183 122.838 1.345 1
1 618 . 7 1 1 A 60 60 THR H H 60 8.274 8.723 -0.449 1
1 619 . 7 1 1 A 60 60 THR HA H 60 3.299 3.973 -0.674 1
1 624 . 7 1 1 A 60 60 THR C C 60 171.681 173.177 -1.496 1
1 625 . 7 1 1 A 60 60 THR CA C 60 59.732 60.424 -0.692 1
1 626 . 7 1 1 A 60 60 THR CB C 60 69.010 68.701 0.309 1
1 628 . 7 1 1 A 60 60 THR N N 60 108.095 113.103 -5.008 1
1 629 . 7 1 1 A 61 61 SER H H 61 6.728 7.314 -0.586 1
1 630 . 7 1 1 A 61 61 SER HA H 61 4.584 4.343 0.241 1
1 633 . 7 1 1 A 61 61 SER C C 61 172.948 172.387 0.561 1
1 634 . 7 1 1 A 61 61 SER CA C 61 57.403 57.286 0.117 1
1 635 . 7 1 1 A 61 61 SER CB C 61 65.767 65.381 0.386 1
1 636 . 7 1 1 A 61 61 SER N N 61 110.991 113.402 -2.411 1
1 637 . 7 1 1 A 62 62 ALA H H 62 8.954 8.300 0.654 1
1 638 . 7 1 1 A 62 62 ALA HA H 62 4.581 5.220 -0.639 1
1 642 . 7 1 1 A 62 62 ALA C C 62 174.741 175.811 -1.070 1
1 643 . 7 1 1 A 62 62 ALA CA C 62 51.949 50.981 0.968 1
1 644 . 7 1 1 A 62 62 ALA CB C 62 21.659 24.005 -2.346 1
1 645 . 7 1 1 A 62 62 ALA N N 62 119.306 123.287 -3.981 1
1 646 . 7 1 1 A 63 63 MET H H 63 8.599 8.769 -0.170 1
1 647 . 7 1 1 A 63 63 MET HA H 63 4.993 5.442 -0.449 1
1 655 . 7 1 1 A 63 63 MET C C 63 175.386 174.861 0.525 1
1 656 . 7 1 1 A 63 63 MET CA C 63 53.760 54.027 -0.267 1
1 657 . 7 1 1 A 63 63 MET CB C 63 31.842 35.828 -3.986 1
1 660 . 7 1 1 A 63 63 MET N N 63 120.537 118.891 1.646 1
1 661 . 7 1 1 A 64 64 LEU H H 64 9.244 8.328 0.916 1
1 662 . 7 1 1 A 64 64 LEU HA H 64 4.494 5.000 -0.506 1
1 672 . 7 1 1 A 64 64 LEU C C 64 175.976 175.455 0.521 1
1 673 . 7 1 1 A 64 64 LEU CA C 64 52.988 53.158 -0.170 1
1 674 . 7 1 1 A 64 64 LEU CB C 64 42.785 46.162 -3.377 1
1 678 . 7 1 1 A 64 64 LEU N N 64 124.823 121.139 3.684 1
1 679 . 7 1 1 A 65 65 GLY H H 65 7.516 8.150 -0.634 1
1 680 . 7 1 1 A 65 65 GLY HA2 H 65 4.505 4.058 0.447 1
1 681 . 7 1 1 A 65 65 GLY HA3 H 65 3.237 4.071 -0.834 1
1 682 . 7 1 1 A 65 65 GLY C C 65 170.608 172.622 -2.014 1
1 683 . 7 1 1 A 65 65 GLY CA C 65 44.505 44.423 0.082 1
1 684 . 7 1 1 A 65 65 GLY N N 65 106.855 108.335 -1.480 1
1 685 . 7 1 1 A 66 66 PRO HA H 66 4.626 4.992 -0.366 1
1 692 . 7 1 1 A 66 66 PRO C C 66 176.262 176.725 -0.463 1
1 693 . 7 1 1 A 66 66 PRO CA C 66 62.542 62.874 -0.332 1
1 694 . 7 1 1 A 66 66 PRO CB C 66 34.107 32.027 2.080 1
1 697 . 7 1 1 A 67 67 LEU H H 67 8.487 8.616 -0.129 1
1 698 . 7 1 1 A 67 67 LEU HA H 67 4.586 4.741 -0.155 1
1 708 . 7 1 1 A 67 67 LEU C C 67 176.158 176.025 0.133 1
1 709 . 7 1 1 A 67 67 LEU CA C 67 52.335 53.350 -1.015 1
1 710 . 7 1 1 A 67 67 LEU CB C 67 43.440 42.642 0.798 1
1 714 . 7 1 1 A 67 67 LEU N N 67 124.582 123.484 1.098 1
1 715 . 7 1 1 A 68 68 SER H H 68 8.958 8.512 0.446 1
1 716 . 7 1 1 A 68 68 SER HA H 68 4.529 4.684 -0.155 1
1 719 . 7 1 1 A 68 68 SER C C 68 174.360 173.479 0.881 1
1 720 . 7 1 1 A 68 68 SER CA C 68 58.649 56.082 2.567 1
1 721 . 7 1 1 A 68 68 SER CB C 68 64.239 65.415 -1.176 1
1 722 . 7 1 1 A 68 68 SER N N 68 117.670 117.050 0.620 1
1 723 . 7 1 1 A 69 69 SER H H 69 8.511 8.710 -0.199 1
1 724 . 7 1 1 A 69 69 SER HA H 69 5.085 5.296 -0.211 1
1 727 . 7 1 1 A 69 69 SER C C 69 175.660 174.036 1.624 1
1 728 . 7 1 1 A 69 69 SER CA C 69 59.071 56.207 2.864 1
1 729 . 7 1 1 A 69 69 SER CB C 69 64.439 65.930 -1.491 1
1 730 . 7 1 1 A 69 69 SER N N 69 119.760 117.921 1.839 1
1 731 . 7 1 1 A 70 70 SER H H 70 7.974 8.827 -0.853 1
1 732 . 7 1 1 A 70 70 SER HA H 70 3.799 4.105 -0.306 1
1 735 . 7 1 1 A 70 70 SER C C 70 173.645 173.015 0.630 1
1 736 . 7 1 1 A 70 70 SER CA C 70 58.453 59.242 -0.789 1
1 737 . 7 1 1 A 70 70 SER CB C 70 62.477 62.040 0.437 1
1 738 . 7 1 1 A 70 70 SER N N 70 121.170 116.389 4.781 1
1 739 . 7 1 1 A 71 71 THR H H 71 8.325 7.662 0.663 1
1 740 . 7 1 1 A 71 71 THR HA H 71 4.482 4.753 -0.271 1
1 745 . 7 1 1 A 71 71 THR C C 71 171.950 173.468 -1.518 1
1 746 . 7 1 1 A 71 71 THR CA C 71 62.453 61.757 0.696 1
1 747 . 7 1 1 A 71 71 THR CB C 71 72.120 71.457 0.663 1
1 749 . 7 1 1 A 71 71 THR N N 71 115.265 114.828 0.437 1
1 750 . 7 1 1 A 72 72 THR H H 72 8.963 8.821 0.142 1
1 751 . 7 1 1 A 72 72 THR HA H 72 5.044 4.853 0.191 1
1 756 . 7 1 1 A 72 72 THR C C 72 173.198 173.845 -0.647 1
1 757 . 7 1 1 A 72 72 THR CA C 72 62.216 63.119 -0.903 1
1 758 . 7 1 1 A 72 72 THR CB C 72 69.392 69.273 0.119 1
1 760 . 7 1 1 A 72 72 THR N N 72 124.221 121.902 2.319 1
1 761 . 7 1 1 A 73 73 TYR H H 73 9.711 9.420 0.291 1
1 762 . 7 1 1 A 73 73 TYR HA H 73 4.852 5.451 -0.599 1
1 767 . 7 1 1 A 73 73 TYR C C 73 175.854 174.945 0.909 1
1 768 . 7 1 1 A 73 73 TYR CA C 73 57.596 56.167 1.429 1
1 769 . 7 1 1 A 73 73 TYR CB C 73 41.377 41.497 -0.120 1
1 774 . 7 1 1 A 73 73 TYR N N 73 126.553 125.689 0.864 1
1 775 . 7 1 1 A 74 74 THR H H 74 8.981 9.191 -0.210 1
1 776 . 7 1 1 A 74 74 THR HA H 74 4.648 4.683 -0.035 1
1 781 . 7 1 1 A 74 74 THR C C 74 174.296 174.132 0.164 1
1 782 . 7 1 1 A 74 74 THR CA C 74 63.156 62.587 0.569 1
1 783 . 7 1 1 A 74 74 THR CB C 74 68.916 68.650 0.266 1
1 785 . 7 1 1 A 74 74 THR N N 74 118.190 119.281 -1.091 1
1 786 . 7 1 1 A 75 75 VAL H H 75 9.376 9.232 0.144 1
1 787 . 7 1 1 A 75 75 VAL HA H 75 4.951 4.515 0.436 1
1 795 . 7 1 1 A 75 75 VAL C C 75 173.554 174.599 -1.045 1
1 796 . 7 1 1 A 75 75 VAL CA C 75 61.004 61.996 -0.992 1
1 797 . 7 1 1 A 75 75 VAL CB C 75 34.541 32.730 1.811 1
1 800 . 7 1 1 A 75 75 VAL N N 75 130.973 128.433 2.540 1
1 801 . 7 1 1 A 76 76 ARG H H 76 9.023 9.326 -0.303 1
1 802 . 7 1 1 A 76 76 ARG HA H 76 5.218 4.938 0.280 1
1 809 . 7 1 1 A 76 76 ARG C C 76 175.034 174.473 0.561 1
1 810 . 7 1 1 A 76 76 ARG CA C 76 54.501 54.653 -0.152 1
1 811 . 7 1 1 A 76 76 ARG CB C 76 32.621 32.721 -0.100 1
1 814 . 7 1 1 A 76 76 ARG N N 76 126.030 128.573 -2.543 1
1 815 . 7 1 1 A 77 77 VAL H H 77 9.155 8.779 0.376 1
1 816 . 7 1 1 A 77 77 VAL HA H 77 4.165 4.507 -0.342 1
1 824 . 7 1 1 A 77 77 VAL C C 77 174.967 175.060 -0.093 1
1 825 . 7 1 1 A 77 77 VAL CA C 77 61.626 61.666 -0.040 1
1 826 . 7 1 1 A 77 77 VAL CB C 77 33.367 31.852 1.515 1
1 829 . 7 1 1 A 77 77 VAL N N 77 125.903 127.316 -1.413 1
1 830 . 7 1 1 A 78 78 THR H H 78 9.313 9.315 -0.002 1
1 831 . 7 1 1 A 78 78 THR HA H 78 5.121 5.118 0.003 1
1 836 . 7 1 1 A 78 78 THR C C 78 173.388 173.152 0.236 1
1 837 . 7 1 1 A 78 78 THR CA C 78 61.286 61.423 -0.137 1
1 838 . 7 1 1 A 78 78 THR CB C 78 70.432 70.227 0.205 1
1 840 . 7 1 1 A 78 78 THR N N 78 126.547 123.635 2.912 1
1 841 . 7 1 1 A 79 79 CYS H H 79 8.807 8.495 0.312 1
1 842 . 7 1 1 A 79 79 CYS HA H 79 4.410 4.905 -0.495 1
1 845 . 7 1 1 A 79 79 CYS C C 79 172.501 173.468 -0.967 1
1 846 . 7 1 1 A 79 79 CYS CA C 79 58.141 57.249 0.892 1
1 847 . 7 1 1 A 79 79 CYS CB C 79 28.102 28.832 -0.730 1
1 848 . 7 1 1 A 79 79 CYS N N 79 125.160 125.507 -0.347 1
1 849 . 7 1 1 A 80 80 LEU H H 80 8.417 8.424 -0.007 1
1 850 . 7 1 1 A 80 80 LEU HA H 80 4.377 4.390 -0.013 1
1 860 . 7 1 1 A 80 80 LEU C C 80 175.846 176.078 -0.232 1
1 861 . 7 1 1 A 80 80 LEU CA C 80 54.400 53.870 0.530 1
1 862 . 7 1 1 A 80 80 LEU CB C 80 41.520 41.384 0.136 1
1 866 . 7 1 1 A 80 80 LEU N N 80 123.584 126.543 -2.959 1
1 867 . 7 1 1 A 81 81 TYR H H 81 8.090 8.172 -0.082 1
1 868 . 7 1 1 A 81 81 TYR HA H 81 5.085 4.624 0.461 1
1 875 . 7 1 1 A 81 81 TYR C C 81 175.341 176.255 -0.914 1
1 876 . 7 1 1 A 81 81 TYR CA C 81 55.561 57.309 -1.748 1
1 877 . 7 1 1 A 81 81 TYR CB C 81 36.792 38.570 -1.778 1
1 882 . 7 1 1 A 81 81 TYR N N 81 123.717 125.222 -1.505 1
1 883 . 7 1 1 A 82 82 PRO HA H 82 4.358 4.486 -0.128 1
1 890 . 7 1 1 A 82 82 PRO CA C 82 64.469 63.913 0.556 1
1 891 . 7 1 1 A 82 82 PRO CB C 82 31.395 31.768 -0.373 1
1 894 . 7 1 1 A 83 83 GLY HA2 H 83 4.164 4.127 0.037 1
1 895 . 7 1 1 A 83 83 GLY HA3 H 83 3.880 4.138 -0.258 1
1 896 . 7 1 1 A 83 83 GLY C C 83 174.832 173.677 1.155 1
1 897 . 7 1 1 A 83 83 GLY CA C 83 45.437 45.809 -0.372 1
1 898 . 7 1 1 A 84 84 GLY H H 84 7.641 8.348 -0.707 1
1 899 . 7 1 1 A 84 84 GLY HA2 H 84 4.581 4.000 0.581 1
1 900 . 7 1 1 A 84 84 GLY HA3 H 84 3.788 4.043 -0.255 1
1 901 . 7 1 1 A 84 84 GLY C C 84 174.354 174.888 -0.534 1
1 902 . 7 1 1 A 84 84 GLY CA C 84 44.801 45.352 -0.551 1
1 903 . 7 1 1 A 84 84 GLY N N 84 107.816 107.593 0.223 1
1 904 . 7 1 1 A 85 85 GLY H H 85 8.303 8.527 -0.224 1
1 905 . 7 1 1 A 85 85 GLY HA2 H 85 4.322 3.954 0.368 1
1 906 . 7 1 1 A 85 85 GLY HA3 H 85 4.113 3.987 0.126 1
1 907 . 7 1 1 A 85 85 GLY C C 85 172.757 172.525 0.232 1
1 908 . 7 1 1 A 85 85 GLY CA C 85 44.602 46.680 -2.078 1
1 909 . 7 1 1 A 85 85 GLY N N 85 108.998 108.229 0.769 1
1 910 . 7 1 1 A 86 86 SER H H 86 8.361 8.306 0.055 1
1 911 . 7 1 1 A 86 86 SER HA H 86 5.024 4.647 0.377 1
1 914 . 7 1 1 A 86 86 SER C C 86 173.484 171.724 1.760 1
1 915 . 7 1 1 A 86 86 SER CA C 86 57.738 57.233 0.505 1
1 916 . 7 1 1 A 86 86 SER CB C 86 66.693 65.053 1.640 1
1 917 . 7 1 1 A 86 86 SER N N 86 111.910 116.351 -4.441 1
1 918 . 7 1 1 A 87 87 SER H H 87 8.105 8.153 -0.048 1
1 919 . 7 1 1 A 87 87 SER HA H 87 4.827 5.459 -0.632 1
1 922 . 7 1 1 A 87 87 SER C C 87 173.377 173.056 0.321 1
1 923 . 7 1 1 A 87 87 SER CA C 87 57.737 56.212 1.525 1
1 924 . 7 1 1 A 87 87 SER CB C 87 65.849 66.744 -0.895 1
1 925 . 7 1 1 A 87 87 SER N N 87 112.598 117.592 -4.994 1
1 926 . 7 1 1 A 88 88 THR H H 88 8.778 8.867 -0.089 1
1 927 . 7 1 1 A 88 88 THR HA H 88 5.439 5.126 0.313 1
1 932 . 7 1 1 A 88 88 THR C C 88 173.289 173.239 0.050 1
1 933 . 7 1 1 A 88 88 THR CA C 88 62.083 61.631 0.452 1
1 934 . 7 1 1 A 88 88 THR CB C 88 72.001 71.427 0.574 1
1 936 . 7 1 1 A 88 88 THR N N 88 120.383 117.654 2.729 1
1 937 . 7 1 1 A 89 89 LEU H H 89 8.832 9.165 -0.333 1
1 938 . 7 1 1 A 89 89 LEU HA H 89 4.766 4.862 -0.096 1
1 948 . 7 1 1 A 89 89 LEU C C 89 175.440 175.950 -0.510 1
1 949 . 7 1 1 A 89 89 LEU CA C 89 53.671 53.623 0.048 1
1 950 . 7 1 1 A 89 89 LEU CB C 89 45.972 42.581 3.391 1
1 954 . 7 1 1 A 89 89 LEU N N 89 128.653 128.860 -0.207 1
1 955 . 7 1 1 A 90 90 THR H H 90 8.576 8.811 -0.235 1
1 956 . 7 1 1 A 90 90 THR HA H 90 5.622 4.890 0.732 1
1 961 . 7 1 1 A 90 90 THR C C 90 174.307 174.487 -0.180 1
1 962 . 7 1 1 A 90 90 THR CA C 90 60.799 61.138 -0.339 1
1 963 . 7 1 1 A 90 90 THR CB C 90 71.589 69.768 1.821 1
1 965 . 7 1 1 A 90 90 THR N N 90 115.259 117.347 -2.088 1
1 966 . 7 1 1 A 91 91 GLY H H 91 9.071 9.022 0.049 1
1 967 . 7 1 1 A 91 91 GLY HA2 H 91 4.605 4.533 0.072 1
1 968 . 7 1 1 A 91 91 GLY HA3 H 91 3.960 4.626 -0.666 1
1 969 . 7 1 1 A 91 91 GLY C C 91 170.717 172.008 -1.291 1
1 970 . 7 1 1 A 91 91 GLY CA C 91 45.314 44.844 0.470 1
1 971 . 7 1 1 A 91 91 GLY N N 91 112.300 111.375 0.925 1
1 972 . 7 1 1 A 92 92 ARG H H 92 8.558 8.997 -0.439 1
1 973 . 7 1 1 A 92 92 ARG HA H 92 5.594 4.904 0.690 1
1 980 . 7 1 1 A 92 92 ARG C C 92 173.260 174.498 -1.238 1
1 981 . 7 1 1 A 92 92 ARG CA C 92 54.806 55.537 -0.731 1
1 982 . 7 1 1 A 92 92 ARG CB C 92 34.464 31.555 2.909 1
1 985 . 7 1 1 A 92 92 ARG N N 92 119.774 125.071 -5.297 1
1 986 . 7 1 1 A 93 93 VAL H H 93 8.430 8.553 -0.123 1
1 987 . 7 1 1 A 93 93 VAL HA H 93 4.081 4.713 -0.632 1
1 995 . 7 1 1 A 93 93 VAL C C 93 171.210 173.690 -2.480 1
1 996 . 7 1 1 A 93 93 VAL CA C 93 58.915 58.937 -0.022 1
1 997 . 7 1 1 A 93 93 VAL CB C 93 33.683 33.620 0.063 1
1 1000 . 7 1 1 A 93 93 VAL N N 93 120.381 122.998 -2.617 1
1 1001 . 7 1 1 A 94 94 THR H H 94 8.129 8.777 -0.648 1
1 1002 . 7 1 1 A 94 94 THR HA H 94 5.342 4.783 0.559 1
1 1007 . 7 1 1 A 94 94 THR C C 94 174.637 174.678 -0.041 1
1 1008 . 7 1 1 A 94 94 THR CA C 94 60.799 62.225 -1.426 1
1 1009 . 7 1 1 A 94 94 THR CB C 94 70.768 69.241 1.527 1
1 1011 . 7 1 1 A 94 94 THR N N 94 124.645 122.967 1.678 1
1 1012 . 7 1 1 A 95 95 THR H H 95 8.906 8.412 0.494 1
1 1013 . 7 1 1 A 95 95 THR HA H 95 4.115 4.309 -0.194 1
1 1018 . 7 1 1 A 95 95 THR C C 95 175.367 174.114 1.253 1
1 1019 . 7 1 1 A 95 95 THR CA C 95 60.909 62.116 -1.207 1
1 1020 . 7 1 1 A 95 95 THR CB C 95 70.346 70.153 0.193 1
1 1022 . 7 1 1 A 95 95 THR N N 95 116.835 121.097 -4.262 1
1 1023 . 7 1 1 A 96 96 LYS H H 96 7.372 8.472 -1.100 1
1 1024 . 7 1 1 A 96 96 LYS HA H 96 4.189 4.439 -0.250 1
1 1033 . 7 1 1 A 96 96 LYS C C 96 176.308 177.298 -0.990 1
1 1034 . 7 1 1 A 96 96 LYS CA C 96 55.207 55.636 -0.429 1
1 1035 . 7 1 1 A 96 96 LYS CB C 96 34.095 33.334 0.761 1
1 1039 . 7 1 1 A 96 96 LYS N N 96 116.829 121.732 -4.903 1
1 1040 . 7 1 1 A 97 97 LYS H H 97 8.113 8.565 -0.452 1
1 1041 . 7 1 1 A 97 97 LYS HA H 97 4.356 4.370 -0.014 1
1 1050 . 7 1 1 A 97 97 LYS C C 97 176.106 176.819 -0.713 1
1 1051 . 7 1 1 A 97 97 LYS CA C 97 56.260 56.561 -0.301 1
1 1052 . 7 1 1 A 97 97 LYS CB C 97 33.140 32.875 0.265 1
1 1056 . 7 1 1 A 97 97 LYS N N 97 119.233 121.570 -2.337 1
1 1057 . 7 1 1 A 98 98 ALA H H 98 8.484 8.492 -0.008 1
1 1058 . 7 1 1 A 98 98 ALA HA H 98 4.054 4.045 0.009 1
1 1062 . 7 1 1 A 98 98 ALA C C 98 175.754 175.600 0.154 1
1 1063 . 7 1 1 A 98 98 ALA CA C 98 50.511 50.498 0.013 1
1 1064 . 7 1 1 A 98 98 ALA CB C 98 17.093 18.222 -1.129 1
1 1065 . 7 1 1 A 98 98 ALA N N 98 126.424 126.245 0.179 1
1 1066 . 7 1 1 A 99 99 PRO HA H 99 4.313 4.562 -0.249 1
1 1073 . 7 1 1 A 99 99 PRO C C 99 176.506 176.012 0.494 1
1 1074 . 7 1 1 A 99 99 PRO CA C 99 62.584 62.569 0.015 1
1 1075 . 7 1 1 A 99 99 PRO CB C 99 32.024 33.138 -1.114 1
1 1078 . 7 1 1 A 100 100 SER H H 100 8.377 8.417 -0.040 1
1 1079 . 7 1 1 A 100 100 SER HA H 100 4.688 4.886 -0.198 1
1 1082 . 7 1 1 A 100 100 SER CA C 100 56.296 55.664 0.632 1
1 1083 . 7 1 1 A 100 100 SER CB C 100 63.276 66.002 -2.726 1
1 1084 . 7 1 1 A 100 100 SER N N 100 117.700 113.790 3.910 1
1 1086 . 7 1 1 A 103 103 SER HA H 103 4.507 5.042 -0.535 1
1 1089 . 7 1 1 A 103 103 SER CA C 103 58.198 57.145 1.053 1
1 1090 . 7 1 1 A 103 103 SER CB C 103 63.882 65.686 -1.804 1
1 1091 . 7 1 1 A 104 104 GLY H H 104 8.233 8.469 -0.236 1
1 1092 . 7 1 1 A 104 104 GLY HA2 H 104 4.124 4.150 -0.026 1
1 1093 . 7 1 1 A 104 104 GLY HA3 H 104 4.124 4.150 -0.026 1
1 1094 . 7 1 1 A 104 104 GLY CA C 104 44.608 44.521 0.087 1
1 1095 . 7 1 1 A 104 104 GLY N N 104 110.600 109.782 0.818 1
1 1096 . 7 1 1 A 105 105 PRO HA H 105 4.460 4.725 -0.265 1
1 1103 . 7 1 1 A 105 105 PRO CA C 105 63.264 62.289 0.975 1
1 1104 . 7 1 1 A 105 105 PRO CB C 105 32.094 29.515 2.579 1
1 1 . 8 1 1 A 6 6 SER HA H 6 4.470 4.134 0.336 1
1 3 . 8 1 1 A 6 6 SER C C 6 175.031 174.468 0.563 1
1 4 . 8 1 1 A 6 6 SER CA C 6 58.687 59.251 -0.564 1
1 5 . 8 1 1 A 6 6 SER CB C 6 63.635 61.831 1.804 1
1 6 . 8 1 1 A 7 7 GLY H H 7 8.390 8.503 -0.113 1
1 7 . 8 1 1 A 7 7 GLY HA2 H 7 3.941 4.057 -0.116 1
1 8 . 8 1 1 A 7 7 GLY HA3 H 7 3.941 4.057 -0.116 1
1 9 . 8 1 1 A 7 7 GLY C C 7 173.892 173.574 0.318 1
1 10 . 8 1 1 A 7 7 GLY CA C 7 45.348 44.663 0.685 1
1 11 . 8 1 1 A 7 7 GLY N N 7 110.659 106.329 4.330 1
1 12 . 8 1 1 A 8 8 LEU H H 8 8.017 8.143 -0.126 1
1 13 . 8 1 1 A 8 8 LEU HA H 8 4.347 4.544 -0.197 1
1 23 . 8 1 1 A 8 8 LEU C C 8 176.816 176.304 0.512 1
1 24 . 8 1 1 A 8 8 LEU CA C 8 54.760 54.331 0.429 1
1 25 . 8 1 1 A 8 8 LEU CB C 8 42.565 43.272 -0.707 1
1 29 . 8 1 1 A 8 8 LEU N N 8 121.546 119.025 2.521 1
1 30 . 8 1 1 A 9 9 ALA H H 9 8.291 8.456 -0.165 1
1 31 . 8 1 1 A 9 9 ALA HA H 9 4.589 4.734 -0.145 1
1 35 . 8 1 1 A 9 9 ALA C C 9 174.928 174.051 0.877 1
1 36 . 8 1 1 A 9 9 ALA CA C 9 50.381 50.022 0.359 1
1 37 . 8 1 1 A 9 9 ALA CB C 9 18.293 22.326 -4.033 1
1 38 . 8 1 1 A 9 9 ALA N N 9 126.618 121.096 5.522 1
1 39 . 8 1 1 A 10 10 PRO HA H 10 4.708 4.690 0.018 1
1 45 . 8 1 1 A 10 10 PRO CA C 10 61.347 62.209 -0.862 1
1 46 . 8 1 1 A 10 10 PRO CB C 10 30.783 31.787 -1.004 1
1 49 . 8 1 1 A 11 11 PRO HA H 11 4.442 4.409 0.033 1
1 56 . 8 1 1 A 11 11 PRO C C 11 176.585 176.519 0.066 1
1 57 . 8 1 1 A 11 11 PRO CA C 11 63.016 64.878 -1.862 1
1 58 . 8 1 1 A 11 11 PRO CB C 11 32.096 32.284 -0.188 1
1 61 . 8 1 1 A 12 12 ARG H H 12 8.348 7.736 0.612 1
1 62 . 8 1 1 A 12 12 ARG HA H 12 4.405 5.065 -0.660 1
1 69 . 8 1 1 A 12 12 ARG C C 12 175.204 173.975 1.229 1
1 70 . 8 1 1 A 12 12 ARG CA C 12 55.797 54.163 1.634 1
1 71 . 8 1 1 A 12 12 ARG CB C 12 32.052 35.203 -3.151 1
1 74 . 8 1 1 A 12 12 ARG N N 12 120.519 117.967 2.552 1
1 75 . 8 1 1 A 13 13 HIS H H 13 8.296 8.863 -0.567 1
1 76 . 8 1 1 A 13 13 HIS HA H 13 4.815 5.063 -0.248 1
1 81 . 8 1 1 A 13 13 HIS C C 13 174.544 173.848 0.696 1
1 82 . 8 1 1 A 13 13 HIS CA C 13 55.783 54.094 1.689 1
1 83 . 8 1 1 A 13 13 HIS CB C 13 32.469 32.221 0.248 1
1 86 . 8 1 1 A 13 13 HIS N N 13 118.569 120.946 -2.377 1
1 87 . 8 1 1 A 14 14 LEU H H 14 8.209 7.695 0.514 1
1 88 . 8 1 1 A 14 14 LEU HA H 14 4.655 4.946 -0.291 1
1 98 . 8 1 1 A 14 14 LEU C C 14 175.977 175.716 0.261 1
1 99 . 8 1 1 A 14 14 LEU CA C 14 53.935 53.106 0.829 1
1 100 . 8 1 1 A 14 14 LEU CB C 14 44.113 44.433 -0.320 1
1 104 . 8 1 1 A 14 14 LEU N N 14 120.625 122.071 -1.446 1
1 105 . 8 1 1 A 15 15 GLY H H 15 7.988 8.056 -0.068 1
1 106 . 8 1 1 A 15 15 GLY HA2 H 15 4.008 2.948 1.060 1
1 107 . 8 1 1 A 15 15 GLY HA3 H 15 2.486 3.849 -1.363 1
1 108 . 8 1 1 A 15 15 GLY C C 15 170.056 171.005 -0.949 1
1 109 . 8 1 1 A 15 15 GLY CA C 15 43.188 43.549 -0.361 1
1 110 . 8 1 1 A 15 15 GLY N N 15 111.142 109.136 2.006 1
1 111 . 8 1 1 A 16 16 PHE H H 16 8.078 8.781 -0.703 1
1 112 . 8 1 1 A 16 16 PHE HA H 16 5.830 5.451 0.379 1
1 120 . 8 1 1 A 16 16 PHE C C 16 175.968 175.544 0.424 1
1 121 . 8 1 1 A 16 16 PHE CA C 16 56.048 56.244 -0.196 1
1 122 . 8 1 1 A 16 16 PHE CB C 16 43.353 41.065 2.288 1
1 128 . 8 1 1 A 16 16 PHE N N 16 114.388 123.922 -9.534 1
1 129 . 8 1 1 A 17 17 SER H H 17 9.811 8.511 1.300 1
1 130 . 8 1 1 A 17 17 SER HA H 17 4.883 5.043 -0.160 1
1 133 . 8 1 1 A 17 17 SER C C 17 171.638 173.418 -1.780 1
1 134 . 8 1 1 A 17 17 SER CA C 17 57.073 56.156 0.917 1
1 135 . 8 1 1 A 17 17 SER CB C 17 66.893 66.674 0.219 1
1 136 . 8 1 1 A 17 17 SER N N 17 118.688 116.436 2.252 1
1 137 . 8 1 1 A 18 18 ASP H H 18 9.001 9.076 -0.075 1
1 138 . 8 1 1 A 18 18 ASP HA H 18 4.171 4.274 -0.103 1
1 141 . 8 1 1 A 18 18 ASP C C 18 174.520 175.227 -0.707 1
1 142 . 8 1 1 A 18 18 ASP CA C 18 55.333 54.885 0.448 1
1 143 . 8 1 1 A 18 18 ASP CB C 18 40.075 39.980 0.095 1
1 144 . 8 1 1 A 18 18 ASP N N 18 116.878 120.288 -3.410 1
1 145 . 8 1 1 A 19 19 VAL H H 19 8.202 8.030 0.172 1
1 146 . 8 1 1 A 19 19 VAL HA H 19 4.169 4.003 0.166 1
1 154 . 8 1 1 A 19 19 VAL C C 19 176.641 175.816 0.825 1
1 155 . 8 1 1 A 19 19 VAL CA C 19 63.962 63.477 0.485 1
1 156 . 8 1 1 A 19 19 VAL CB C 19 31.236 31.585 -0.349 1
1 159 . 8 1 1 A 19 19 VAL N N 19 117.253 120.145 -2.892 1
1 160 . 8 1 1 A 20 20 SER H H 20 9.066 9.020 0.046 1
1 161 . 8 1 1 A 20 20 SER HA H 20 5.061 4.972 0.089 1
1 164 . 8 1 1 A 20 20 SER C C 20 174.081 174.918 -0.837 1
1 165 . 8 1 1 A 20 20 SER CA C 20 55.582 57.423 -1.841 1
1 166 . 8 1 1 A 20 20 SER CB C 20 65.090 66.982 -1.892 1
1 167 . 8 1 1 A 20 20 SER N N 20 126.686 120.020 6.666 1
1 168 . 8 1 1 A 21 21 HIS H H 21 8.635 8.550 0.085 1
1 169 . 8 1 1 A 21 21 HIS HA H 21 4.895 4.627 0.268 1
1 174 . 8 1 1 A 21 21 HIS C C 21 175.242 175.420 -0.178 1
1 175 . 8 1 1 A 21 21 HIS CA C 21 56.934 56.734 0.200 1
1 176 . 8 1 1 A 21 21 HIS CB C 21 30.651 29.800 0.851 1
1 179 . 8 1 1 A 21 21 HIS N N 21 117.241 121.157 -3.916 1
1 180 . 8 1 1 A 22 22 ASP H H 22 7.400 7.985 -0.585 1
1 181 . 8 1 1 A 22 22 ASP HA H 22 4.803 4.937 -0.134 1
1 184 . 8 1 1 A 22 22 ASP C C 22 176.754 175.138 1.616 1
1 185 . 8 1 1 A 22 22 ASP CA C 22 52.316 53.106 -0.790 1
1 186 . 8 1 1 A 22 22 ASP CB C 22 41.697 42.086 -0.389 1
1 187 . 8 1 1 A 22 22 ASP N N 22 115.766 117.000 -1.234 1
1 188 . 8 1 1 A 23 23 ALA H H 23 7.379 7.455 -0.076 1
1 189 . 8 1 1 A 23 23 ALA HA H 23 4.753 4.375 0.378 1
1 193 . 8 1 1 A 23 23 ALA C C 23 174.757 175.047 -0.290 1
1 194 . 8 1 1 A 23 23 ALA CA C 23 51.613 51.603 0.010 1
1 195 . 8 1 1 A 23 23 ALA CB C 23 22.882 22.181 0.701 1
1 196 . 8 1 1 A 23 23 ALA N N 23 122.521 118.825 3.696 1
1 197 . 8 1 1 A 24 24 ALA H H 24 7.745 8.011 -0.266 1
1 198 . 8 1 1 A 24 24 ALA HA H 24 4.593 4.852 -0.259 1
1 202 . 8 1 1 A 24 24 ALA C C 24 173.662 175.167 -1.505 1
1 203 . 8 1 1 A 24 24 ALA CA C 24 52.233 51.767 0.466 1
1 204 . 8 1 1 A 24 24 ALA CB C 24 22.894 22.763 0.131 1
1 205 . 8 1 1 A 24 24 ALA N N 24 115.485 120.189 -4.704 1
1 206 . 8 1 1 A 25 25 ARG H H 25 8.690 8.195 0.495 1
1 207 . 8 1 1 A 25 25 ARG HA H 25 5.209 4.936 0.273 1
1 214 . 8 1 1 A 25 25 ARG C C 25 174.777 174.803 -0.026 1
1 215 . 8 1 1 A 25 25 ARG CA C 25 55.161 55.206 -0.045 1
1 216 . 8 1 1 A 25 25 ARG CB C 25 32.329 31.712 0.617 1
1 219 . 8 1 1 A 25 25 ARG N N 25 122.853 123.735 -0.882 1
1 220 . 8 1 1 A 26 26 VAL H H 26 8.865 9.075 -0.210 1
1 221 . 8 1 1 A 26 26 VAL HA H 26 5.120 4.919 0.201 1
1 229 . 8 1 1 A 26 26 VAL C C 26 172.428 174.839 -2.411 1
1 230 . 8 1 1 A 26 26 VAL CA C 26 57.420 59.741 -2.321 1
1 231 . 8 1 1 A 26 26 VAL CB C 26 34.734 34.655 0.079 1
1 234 . 8 1 1 A 26 26 VAL N N 26 125.534 126.563 -1.029 1
1 235 . 8 1 1 A 27 27 PHE H H 27 8.520 8.931 -0.411 1
1 236 . 8 1 1 A 27 27 PHE HA H 27 5.039 5.058 -0.019 1
1 244 . 8 1 1 A 27 27 PHE C C 27 172.979 172.586 0.393 1
1 245 . 8 1 1 A 27 27 PHE CA C 27 56.293 55.123 1.170 1
1 246 . 8 1 1 A 27 27 PHE CB C 27 42.190 42.637 -0.447 1
1 252 . 8 1 1 A 27 27 PHE N N 27 123.552 121.946 1.606 1
1 253 . 8 1 1 A 28 28 TRP H H 28 7.813 7.627 0.186 1
1 254 . 8 1 1 A 28 28 TRP HA H 28 5.058 5.574 -0.516 1
1 263 . 8 1 1 A 28 28 TRP C C 28 174.131 176.273 -2.142 1
1 264 . 8 1 1 A 28 28 TRP CA C 28 55.730 54.653 1.077 1
1 265 . 8 1 1 A 28 28 TRP CB C 28 30.997 33.066 -2.069 1
1 271 . 8 1 1 A 28 28 TRP N N 28 116.968 119.374 -2.406 1
1 273 . 8 1 1 A 29 29 GLU H H 29 8.362 9.123 -0.761 1
1 274 . 8 1 1 A 29 29 GLU HA H 29 4.356 4.395 -0.039 1
1 279 . 8 1 1 A 29 29 GLU C C 29 177.125 176.834 0.291 1
1 280 . 8 1 1 A 29 29 GLU CA C 29 55.820 56.532 -0.712 1
1 281 . 8 1 1 A 29 29 GLU CB C 29 31.085 29.686 1.399 1
1 283 . 8 1 1 A 29 29 GLU N N 29 119.239 118.977 0.262 1
1 284 . 8 1 1 A 30 30 GLY H H 30 8.729 8.259 0.470 1
1 285 . 8 1 1 A 30 30 GLY HA2 H 30 4.051 4.200 -0.149 1
1 286 . 8 1 1 A 30 30 GLY HA3 H 30 3.781 4.409 -0.628 1
1 287 . 8 1 1 A 30 30 GLY C C 30 173.621 173.040 0.581 1
1 288 . 8 1 1 A 30 30 GLY CA C 30 45.559 44.980 0.579 1
1 289 . 8 1 1 A 30 30 GLY N N 30 110.979 107.935 3.044 1
1 290 . 8 1 1 A 31 31 ALA H H 31 8.747 8.367 0.380 1
1 291 . 8 1 1 A 31 31 ALA HA H 31 4.577 4.950 -0.373 1
1 295 . 8 1 1 A 31 31 ALA C C 31 177.064 177.569 -0.505 1
1 296 . 8 1 1 A 31 31 ALA CA C 31 50.416 50.170 0.246 1
1 297 . 8 1 1 A 31 31 ALA CB C 31 19.221 20.205 -0.984 1
1 298 . 8 1 1 A 31 31 ALA N N 31 126.357 123.066 3.291 1
1 299 . 8 1 1 A 32 32 PRO HA H 32 4.630 4.495 0.135 1
1 306 . 8 1 1 A 32 32 PRO C C 32 175.001 175.225 -0.224 1
1 307 . 8 1 1 A 32 32 PRO CA C 32 63.368 64.054 -0.686 1
1 308 . 8 1 1 A 32 32 PRO CB C 32 30.738 31.778 -1.040 1
1 311 . 8 1 1 A 33 33 ARG H H 33 7.418 7.322 0.096 1
1 312 . 8 1 1 A 33 33 ARG HA H 33 4.746 4.826 -0.080 1
1 319 . 8 1 1 A 33 33 ARG C C 33 172.695 173.813 -1.118 1
1 320 . 8 1 1 A 33 33 ARG CA C 33 53.205 53.265 -0.060 1
1 321 . 8 1 1 A 33 33 ARG CB C 33 30.414 32.642 -2.228 1
1 324 . 8 1 1 A 33 33 ARG N N 33 117.994 113.962 4.032 1
1 325 . 8 1 1 A 34 34 PRO HA H 34 4.273 4.690 -0.417 1
1 332 . 8 1 1 A 34 34 PRO C C 34 175.342 176.104 -0.762 1
1 333 . 8 1 1 A 34 34 PRO CA C 34 64.037 62.541 1.496 1
1 334 . 8 1 1 A 34 34 PRO CB C 34 32.581 32.679 -0.098 1
1 337 . 8 1 1 A 35 35 VAL H H 35 8.264 8.620 -0.356 1
1 338 . 8 1 1 A 35 35 VAL HA H 35 4.237 4.871 -0.634 1
1 346 . 8 1 1 A 35 35 VAL C C 35 175.771 176.177 -0.406 1
1 347 . 8 1 1 A 35 35 VAL CA C 35 61.890 60.711 1.179 1
1 348 . 8 1 1 A 35 35 VAL CB C 35 35.092 35.316 -0.224 1
1 351 . 8 1 1 A 35 35 VAL N N 35 122.377 122.252 0.125 1
1 352 . 8 1 1 A 36 36 ARG H H 36 9.278 8.340 0.938 1
1 353 . 8 1 1 A 36 36 ARG HA H 36 4.426 4.505 -0.079 1
1 360 . 8 1 1 A 36 36 ARG C C 36 175.620 176.078 -0.458 1
1 361 . 8 1 1 A 36 36 ARG CA C 36 57.672 57.233 0.439 1
1 362 . 8 1 1 A 36 36 ARG CB C 36 31.595 31.326 0.269 1
1 365 . 8 1 1 A 36 36 ARG N N 36 125.821 122.155 3.666 1
1 366 . 8 1 1 A 37 37 LEU H H 37 7.525 7.119 0.406 1
1 367 . 8 1 1 A 37 37 LEU HA H 37 4.403 4.782 -0.379 1
1 377 . 8 1 1 A 37 37 LEU C C 37 172.405 174.001 -1.596 1
1 378 . 8 1 1 A 37 37 LEU CA C 37 54.913 54.276 0.637 1
1 379 . 8 1 1 A 37 37 LEU CB C 37 46.166 45.917 0.249 1
1 383 . 8 1 1 A 37 37 LEU N N 37 119.761 119.285 0.476 1
1 384 . 8 1 1 A 38 38 VAL H H 38 8.513 8.785 -0.272 1
1 385 . 8 1 1 A 38 38 VAL HA H 38 4.790 4.860 -0.070 1
1 393 . 8 1 1 A 38 38 VAL C C 38 174.595 174.134 0.461 1
1 394 . 8 1 1 A 38 38 VAL CA C 38 60.992 61.304 -0.312 1
1 395 . 8 1 1 A 38 38 VAL CB C 38 33.979 34.138 -0.159 1
1 398 . 8 1 1 A 38 38 VAL N N 38 123.604 125.329 -1.725 1
1 399 . 8 1 1 A 39 39 ARG H H 39 9.025 9.050 -0.025 1
1 400 . 8 1 1 A 39 39 ARG HA H 39 4.839 4.890 -0.051 1
1 407 . 8 1 1 A 39 39 ARG C C 39 174.581 174.758 -0.177 1
1 408 . 8 1 1 A 39 39 ARG CA C 39 55.150 54.947 0.203 1
1 409 . 8 1 1 A 39 39 ARG CB C 39 32.919 31.671 1.248 1
1 412 . 8 1 1 A 39 39 ARG N N 39 126.442 129.549 -3.107 1
1 413 . 8 1 1 A 40 40 VAL H H 40 9.059 9.033 0.026 1
1 414 . 8 1 1 A 40 40 VAL HA H 40 5.177 5.017 0.160 1
1 422 . 8 1 1 A 40 40 VAL C C 40 175.508 175.173 0.335 1
1 423 . 8 1 1 A 40 40 VAL CA C 40 60.513 61.368 -0.855 1
1 424 . 8 1 1 A 40 40 VAL CB C 40 33.390 33.465 -0.075 1
1 427 . 8 1 1 A 40 40 VAL N N 40 127.219 127.520 -0.301 1
1 428 . 8 1 1 A 41 41 THR H H 41 9.244 9.179 0.065 1
1 429 . 8 1 1 A 41 41 THR HA H 41 5.056 4.927 0.129 1
1 434 . 8 1 1 A 41 41 THR C C 41 173.323 172.869 0.454 1
1 435 . 8 1 1 A 41 41 THR CA C 41 59.618 60.640 -1.022 1
1 436 . 8 1 1 A 41 41 THR CB C 41 71.668 71.436 0.232 1
1 438 . 8 1 1 A 41 41 THR N N 41 117.579 117.441 0.138 1
1 439 . 8 1 1 A 42 42 TYR H H 42 7.955 8.256 -0.301 1
1 440 . 8 1 1 A 42 42 TYR HA H 42 5.825 6.002 -0.177 1
1 447 . 8 1 1 A 42 42 TYR C C 42 173.794 173.562 0.232 1
1 448 . 8 1 1 A 42 42 TYR CA C 42 54.314 55.203 -0.889 1
1 449 . 8 1 1 A 42 42 TYR CB C 42 39.788 42.249 -2.461 1
1 454 . 8 1 1 A 42 42 TYR N N 42 117.304 119.444 -2.140 1
1 455 . 8 1 1 A 43 43 VAL H H 43 8.547 8.469 0.078 1
1 456 . 8 1 1 A 43 43 VAL HA H 43 5.069 4.855 0.214 1
1 464 . 8 1 1 A 43 43 VAL C C 43 174.912 174.258 0.654 1
1 465 . 8 1 1 A 43 43 VAL CA C 43 60.142 60.644 -0.502 1
1 466 . 8 1 1 A 43 43 VAL CB C 43 35.329 35.398 -0.069 1
1 469 . 8 1 1 A 43 43 VAL N N 43 119.038 121.047 -2.009 1
1 470 . 8 1 1 A 44 44 SER H H 44 9.123 8.852 0.271 1
1 471 . 8 1 1 A 44 44 SER HA H 44 4.307 4.061 0.246 1
1 474 . 8 1 1 A 44 44 SER C C 44 176.777 175.222 1.555 1
1 475 . 8 1 1 A 44 44 SER CA C 44 57.838 57.723 0.115 1
1 476 . 8 1 1 A 44 44 SER CB C 44 64.064 64.972 -0.908 1
1 477 . 8 1 1 A 44 44 SER N N 44 124.942 120.085 4.857 1
1 478 . 8 1 1 A 45 45 SER H H 45 8.562 8.628 -0.066 1
1 479 . 8 1 1 A 45 45 SER HA H 45 4.175 4.235 -0.060 1
1 482 . 8 1 1 A 45 45 SER C C 45 175.366 175.012 0.354 1
1 483 . 8 1 1 A 45 45 SER CA C 45 61.239 60.909 0.330 1
1 484 . 8 1 1 A 45 45 SER CB C 45 62.976 63.623 -0.647 1
1 485 . 8 1 1 A 45 45 SER N N 45 119.157 116.670 2.487 1
1 486 . 8 1 1 A 46 46 GLU H H 46 8.321 7.719 0.602 1
1 487 . 8 1 1 A 46 46 GLU HA H 46 4.442 4.413 0.029 1
1 492 . 8 1 1 A 46 46 GLU C C 46 177.463 175.694 1.769 1
1 493 . 8 1 1 A 46 46 GLU CA C 46 56.409 55.999 0.410 1
1 494 . 8 1 1 A 46 46 GLU CB C 46 29.633 29.582 0.051 1
1 496 . 8 1 1 A 46 46 GLU N N 46 119.112 118.107 1.005 1
1 497 . 8 1 1 A 47 47 GLY H H 47 8.129 7.967 0.162 1
1 498 . 8 1 1 A 47 47 GLY HA2 H 47 4.150 3.862 0.288 1
1 499 . 8 1 1 A 47 47 GLY HA3 H 47 3.646 3.867 -0.221 1
1 500 . 8 1 1 A 47 47 GLY C C 47 175.047 175.382 -0.335 1
1 501 . 8 1 1 A 47 47 GLY CA C 47 45.400 46.900 -1.500 1
1 502 . 8 1 1 A 47 47 GLY N N 47 109.344 109.284 0.060 1
1 503 . 8 1 1 A 48 48 GLY H H 48 7.927 8.056 -0.129 1
1 504 . 8 1 1 A 48 48 GLY HA2 H 48 3.982 4.163 -0.181 1
1 505 . 8 1 1 A 48 48 GLY HA3 H 48 3.855 4.173 -0.318 1
1 506 . 8 1 1 A 48 48 GLY C C 48 173.614 173.893 -0.279 1
1 507 . 8 1 1 A 48 48 GLY CA C 48 46.073 45.504 0.569 1
1 508 . 8 1 1 A 48 48 GLY N N 48 107.840 106.969 0.871 1
1 509 . 8 1 1 A 49 49 HIS H H 49 7.985 7.897 0.088 1
1 510 . 8 1 1 A 49 49 HIS HA H 49 4.951 4.899 0.052 1
1 515 . 8 1 1 A 49 49 HIS C C 49 173.760 173.261 0.499 1
1 516 . 8 1 1 A 49 49 HIS CA C 49 56.608 54.462 2.146 1
1 517 . 8 1 1 A 49 49 HIS CB C 49 33.119 32.611 0.508 1
1 520 . 8 1 1 A 49 49 HIS N N 49 120.577 119.123 1.454 1
1 521 . 8 1 1 A 50 50 SER H H 50 8.118 8.799 -0.681 1
1 522 . 8 1 1 A 50 50 SER HA H 50 5.184 5.091 0.093 1
1 525 . 8 1 1 A 50 50 SER C C 50 172.582 173.010 -0.428 1
1 526 . 8 1 1 A 50 50 SER CA C 50 56.463 56.576 -0.113 1
1 527 . 8 1 1 A 50 50 SER CB C 50 66.423 66.593 -0.170 1
1 528 . 8 1 1 A 50 50 SER N N 50 120.879 120.806 0.073 1
1 529 . 8 1 1 A 51 51 GLY H H 51 7.900 7.778 0.122 1
1 530 . 8 1 1 A 51 51 GLY HA2 H 51 4.027 3.721 0.306 1
1 531 . 8 1 1 A 51 51 GLY HA3 H 51 3.236 4.129 -0.893 1
1 532 . 8 1 1 A 51 51 GLY C C 51 171.073 171.812 -0.739 1
1 533 . 8 1 1 A 51 51 GLY CA C 51 44.696 44.749 -0.053 1
1 534 . 8 1 1 A 51 51 GLY N N 51 108.215 107.307 0.908 1
1 535 . 8 1 1 A 52 52 GLN H H 52 8.256 8.441 -0.185 1
1 536 . 8 1 1 A 52 52 GLN HA H 52 5.308 5.187 0.121 1
1 543 . 8 1 1 A 52 52 GLN C C 52 174.217 173.388 0.829 1
1 544 . 8 1 1 A 52 52 GLN CA C 52 54.516 55.509 -0.993 1
1 545 . 8 1 1 A 52 52 GLN CB C 52 32.541 32.245 0.296 1
1 547 . 8 1 1 A 52 52 GLN N N 52 115.667 119.621 -3.954 1
1 549 . 8 1 1 A 53 53 THR H H 53 9.298 9.279 0.019 1
1 550 . 8 1 1 A 53 53 THR HA H 53 4.753 5.219 -0.466 1
1 555 . 8 1 1 A 53 53 THR C C 53 171.720 172.802 -1.082 1
1 556 . 8 1 1 A 53 53 THR CA C 53 60.869 59.698 1.171 1
1 557 . 8 1 1 A 53 53 THR CB C 53 70.580 72.277 -1.697 1
1 559 . 8 1 1 A 53 53 THR N N 53 117.486 120.305 -2.819 1
1 560 . 8 1 1 A 54 54 GLU H H 54 8.404 8.701 -0.297 1
1 561 . 8 1 1 A 54 54 GLU HA H 54 5.378 5.192 0.186 1
1 566 . 8 1 1 A 54 54 GLU C C 54 174.705 175.761 -1.056 1
1 567 . 8 1 1 A 54 54 GLU CA C 54 54.693 54.909 -0.216 1
1 568 . 8 1 1 A 54 54 GLU CB C 54 33.434 33.038 0.396 1
1 570 . 8 1 1 A 54 54 GLU N N 54 123.651 125.983 -2.332 1
1 571 . 8 1 1 A 55 55 ALA H H 55 9.471 8.722 0.749 1
1 572 . 8 1 1 A 55 55 ALA HA H 55 5.056 4.937 0.119 1
1 576 . 8 1 1 A 55 55 ALA C C 55 172.938 174.010 -1.072 1
1 577 . 8 1 1 A 55 55 ALA CA C 55 49.216 49.940 -0.724 1
1 578 . 8 1 1 A 55 55 ALA CB C 55 20.410 22.086 -1.676 1
1 579 . 8 1 1 A 55 55 ALA N N 55 126.815 123.769 3.046 1
1 580 . 8 1 1 A 56 56 PRO HA H 56 4.630 4.706 -0.076 1
1 587 . 8 1 1 A 56 56 PRO C C 56 176.935 178.337 -1.402 1
1 588 . 8 1 1 A 56 56 PRO CA C 56 62.303 62.911 -0.608 1
1 589 . 8 1 1 A 56 56 PRO CB C 56 32.745 32.603 0.142 1
1 592 . 8 1 1 A 57 57 GLY H H 57 8.240 8.725 -0.485 1
1 593 . 8 1 1 A 57 57 GLY HA2 H 57 3.839 3.896 -0.057 1
1 594 . 8 1 1 A 57 57 GLY HA3 H 57 3.547 3.909 -0.362 1
1 595 . 8 1 1 A 57 57 GLY C C 57 173.839 175.376 -1.537 1
1 596 . 8 1 1 A 57 57 GLY CA C 57 47.092 46.864 0.228 1
1 597 . 8 1 1 A 57 57 GLY N N 57 104.338 110.606 -6.268 1
1 598 . 8 1 1 A 58 58 ASN H H 58 7.935 7.940 -0.005 1
1 599 . 8 1 1 A 58 58 ASN HA H 58 4.778 4.682 0.096 1
1 604 . 8 1 1 A 58 58 ASN C C 58 175.578 175.938 -0.360 1
1 605 . 8 1 1 A 58 58 ASN CA C 58 52.176 55.054 -2.878 1
1 606 . 8 1 1 A 58 58 ASN CB C 58 37.384 38.976 -1.592 1
1 607 . 8 1 1 A 58 58 ASN N N 58 114.653 119.129 -4.476 1
1 609 . 8 1 1 A 59 59 ALA H H 59 8.041 7.910 0.131 1
1 610 . 8 1 1 A 59 59 ALA HA H 59 4.360 4.221 0.139 1
1 614 . 8 1 1 A 59 59 ALA C C 59 177.738 178.256 -0.518 1
1 615 . 8 1 1 A 59 59 ALA CA C 59 52.792 52.396 0.396 1
1 616 . 8 1 1 A 59 59 ALA CB C 59 20.834 18.983 1.851 1
1 617 . 8 1 1 A 59 59 ALA N N 59 124.183 121.895 2.288 1
1 618 . 8 1 1 A 60 60 THR H H 60 8.274 8.665 -0.391 1
1 619 . 8 1 1 A 60 60 THR HA H 60 3.299 4.040 -0.741 1
1 624 . 8 1 1 A 60 60 THR C C 60 171.681 172.930 -1.249 1
1 625 . 8 1 1 A 60 60 THR CA C 60 59.732 60.588 -0.856 1
1 626 . 8 1 1 A 60 60 THR CB C 60 69.010 68.417 0.593 1
1 628 . 8 1 1 A 60 60 THR N N 60 108.095 113.693 -5.598 1
1 629 . 8 1 1 A 61 61 SER H H 61 6.728 7.342 -0.614 1
1 630 . 8 1 1 A 61 61 SER HA H 61 4.584 4.488 0.096 1
1 633 . 8 1 1 A 61 61 SER C C 61 172.948 172.311 0.637 1
1 634 . 8 1 1 A 61 61 SER CA C 61 57.403 57.238 0.165 1
1 635 . 8 1 1 A 61 61 SER CB C 61 65.767 65.328 0.439 1
1 636 . 8 1 1 A 61 61 SER N N 61 110.991 113.285 -2.294 1
1 637 . 8 1 1 A 62 62 ALA H H 62 8.954 8.697 0.257 1
1 638 . 8 1 1 A 62 62 ALA HA H 62 4.581 5.227 -0.646 1
1 642 . 8 1 1 A 62 62 ALA C C 62 174.741 175.930 -1.189 1
1 643 . 8 1 1 A 62 62 ALA CA C 62 51.949 50.931 1.018 1
1 644 . 8 1 1 A 62 62 ALA CB C 62 21.659 23.795 -2.136 1
1 645 . 8 1 1 A 62 62 ALA N N 62 119.306 123.454 -4.148 1
1 646 . 8 1 1 A 63 63 MET H H 63 8.599 8.647 -0.048 1
1 647 . 8 1 1 A 63 63 MET HA H 63 4.993 5.305 -0.312 1
1 655 . 8 1 1 A 63 63 MET C C 63 175.386 175.121 0.265 1
1 656 . 8 1 1 A 63 63 MET CA C 63 53.760 54.141 -0.381 1
1 657 . 8 1 1 A 63 63 MET CB C 63 31.842 35.247 -3.405 1
1 660 . 8 1 1 A 63 63 MET N N 63 120.537 118.835 1.702 1
1 661 . 8 1 1 A 64 64 LEU H H 64 9.244 8.538 0.706 1
1 662 . 8 1 1 A 64 64 LEU HA H 64 4.494 4.953 -0.459 1
1 672 . 8 1 1 A 64 64 LEU C C 64 175.976 175.519 0.457 1
1 673 . 8 1 1 A 64 64 LEU CA C 64 52.988 53.147 -0.159 1
1 674 . 8 1 1 A 64 64 LEU CB C 64 42.785 46.090 -3.305 1
1 678 . 8 1 1 A 64 64 LEU N N 64 124.823 121.081 3.742 1
1 679 . 8 1 1 A 65 65 GLY H H 65 7.516 8.119 -0.603 1
1 680 . 8 1 1 A 65 65 GLY HA2 H 65 4.505 3.982 0.523 1
1 681 . 8 1 1 A 65 65 GLY HA3 H 65 3.237 4.034 -0.797 1
1 682 . 8 1 1 A 65 65 GLY C C 65 170.608 172.242 -1.634 1
1 683 . 8 1 1 A 65 65 GLY CA C 65 44.505 44.458 0.047 1
1 684 . 8 1 1 A 65 65 GLY N N 65 106.855 108.351 -1.496 1
1 685 . 8 1 1 A 66 66 PRO HA H 66 4.626 4.697 -0.071 1
1 692 . 8 1 1 A 66 66 PRO C C 66 176.262 176.675 -0.413 1
1 693 . 8 1 1 A 66 66 PRO CA C 66 62.542 62.898 -0.356 1
1 694 . 8 1 1 A 66 66 PRO CB C 66 34.107 31.962 2.145 1
1 697 . 8 1 1 A 67 67 LEU H H 67 8.487 8.748 -0.261 1
1 698 . 8 1 1 A 67 67 LEU HA H 67 4.586 4.730 -0.144 1
1 708 . 8 1 1 A 67 67 LEU C C 67 176.158 176.106 0.052 1
1 709 . 8 1 1 A 67 67 LEU CA C 67 52.335 53.250 -0.915 1
1 710 . 8 1 1 A 67 67 LEU CB C 67 43.440 42.686 0.754 1
1 714 . 8 1 1 A 67 67 LEU N N 67 124.582 123.115 1.467 1
1 715 . 8 1 1 A 68 68 SER H H 68 8.958 8.992 -0.034 1
1 716 . 8 1 1 A 68 68 SER HA H 68 4.529 4.903 -0.374 1
1 719 . 8 1 1 A 68 68 SER C C 68 174.360 173.644 0.716 1
1 720 . 8 1 1 A 68 68 SER CA C 68 58.649 55.962 2.687 1
1 721 . 8 1 1 A 68 68 SER CB C 68 64.239 65.753 -1.514 1
1 722 . 8 1 1 A 68 68 SER N N 68 117.670 116.974 0.696 1
1 723 . 8 1 1 A 69 69 SER H H 69 8.511 8.722 -0.211 1
1 724 . 8 1 1 A 69 69 SER HA H 69 5.085 5.268 -0.183 1
1 727 . 8 1 1 A 69 69 SER C C 69 175.660 174.066 1.594 1
1 728 . 8 1 1 A 69 69 SER CA C 69 59.071 56.414 2.657 1
1 729 . 8 1 1 A 69 69 SER CB C 69 64.439 65.945 -1.506 1
1 730 . 8 1 1 A 69 69 SER N N 69 119.760 117.634 2.126 1
1 731 . 8 1 1 A 70 70 SER H H 70 7.974 9.143 -1.169 1
1 732 . 8 1 1 A 70 70 SER HA H 70 3.799 4.147 -0.348 1
1 735 . 8 1 1 A 70 70 SER C C 70 173.645 173.019 0.626 1
1 736 . 8 1 1 A 70 70 SER CA C 70 58.453 59.249 -0.796 1
1 737 . 8 1 1 A 70 70 SER CB C 70 62.477 61.965 0.512 1
1 738 . 8 1 1 A 70 70 SER N N 70 121.170 116.075 5.095 1
1 739 . 8 1 1 A 71 71 THR H H 71 8.325 7.725 0.600 1
1 740 . 8 1 1 A 71 71 THR HA H 71 4.482 4.619 -0.137 1
1 745 . 8 1 1 A 71 71 THR C C 71 171.950 173.421 -1.471 1
1 746 . 8 1 1 A 71 71 THR CA C 71 62.453 61.537 0.916 1
1 747 . 8 1 1 A 71 71 THR CB C 71 72.120 70.949 1.171 1
1 749 . 8 1 1 A 71 71 THR N N 71 115.265 115.096 0.169 1
1 750 . 8 1 1 A 72 72 THR H H 72 8.963 8.694 0.269 1
1 751 . 8 1 1 A 72 72 THR HA H 72 5.044 4.419 0.625 1
1 756 . 8 1 1 A 72 72 THR C C 72 173.198 173.955 -0.757 1
1 757 . 8 1 1 A 72 72 THR CA C 72 62.216 63.170 -0.954 1
1 758 . 8 1 1 A 72 72 THR CB C 72 69.392 69.368 0.024 1
1 760 . 8 1 1 A 72 72 THR N N 72 124.221 121.538 2.683 1
1 761 . 8 1 1 A 73 73 TYR H H 73 9.711 9.071 0.640 1
1 762 . 8 1 1 A 73 73 TYR HA H 73 4.852 5.129 -0.277 1
1 767 . 8 1 1 A 73 73 TYR C C 73 175.854 175.284 0.570 1
1 768 . 8 1 1 A 73 73 TYR CA C 73 57.596 56.384 1.212 1
1 769 . 8 1 1 A 73 73 TYR CB C 73 41.377 40.277 1.100 1
1 774 . 8 1 1 A 73 73 TYR N N 73 126.553 126.219 0.334 1
1 775 . 8 1 1 A 74 74 THR H H 74 8.981 9.210 -0.229 1
1 776 . 8 1 1 A 74 74 THR HA H 74 4.648 4.623 0.025 1
1 781 . 8 1 1 A 74 74 THR C C 74 174.296 174.358 -0.062 1
1 782 . 8 1 1 A 74 74 THR CA C 74 63.156 62.767 0.389 1
1 783 . 8 1 1 A 74 74 THR CB C 74 68.916 68.510 0.406 1
1 785 . 8 1 1 A 74 74 THR N N 74 118.190 119.778 -1.588 1
1 786 . 8 1 1 A 75 75 VAL H H 75 9.376 9.248 0.128 1
1 787 . 8 1 1 A 75 75 VAL HA H 75 4.951 4.297 0.654 1
1 795 . 8 1 1 A 75 75 VAL C C 75 173.554 174.959 -1.405 1
1 796 . 8 1 1 A 75 75 VAL CA C 75 61.004 62.662 -1.658 1
1 797 . 8 1 1 A 75 75 VAL CB C 75 34.541 32.714 1.827 1
1 800 . 8 1 1 A 75 75 VAL N N 75 130.973 128.303 2.670 1
1 801 . 8 1 1 A 76 76 ARG H H 76 9.023 9.062 -0.039 1
1 802 . 8 1 1 A 76 76 ARG HA H 76 5.218 4.970 0.248 1
1 809 . 8 1 1 A 76 76 ARG C C 76 175.034 174.424 0.610 1
1 810 . 8 1 1 A 76 76 ARG CA C 76 54.501 54.737 -0.236 1
1 811 . 8 1 1 A 76 76 ARG CB C 76 32.621 33.253 -0.632 1
1 814 . 8 1 1 A 76 76 ARG N N 76 126.030 128.086 -2.056 1
1 815 . 8 1 1 A 77 77 VAL H H 77 9.155 8.710 0.445 1
1 816 . 8 1 1 A 77 77 VAL HA H 77 4.165 4.375 -0.210 1
1 824 . 8 1 1 A 77 77 VAL C C 77 174.967 175.199 -0.232 1
1 825 . 8 1 1 A 77 77 VAL CA C 77 61.626 61.666 -0.040 1
1 826 . 8 1 1 A 77 77 VAL CB C 77 33.367 31.670 1.697 1
1 829 . 8 1 1 A 77 77 VAL N N 77 125.903 126.693 -0.790 1
1 830 . 8 1 1 A 78 78 THR H H 78 9.313 9.341 -0.028 1
1 831 . 8 1 1 A 78 78 THR HA H 78 5.121 4.617 0.504 1
1 836 . 8 1 1 A 78 78 THR C C 78 173.388 173.319 0.069 1
1 837 . 8 1 1 A 78 78 THR CA C 78 61.286 62.075 -0.789 1
1 838 . 8 1 1 A 78 78 THR CB C 78 70.432 69.648 0.784 1
1 840 . 8 1 1 A 78 78 THR N N 78 126.547 123.395 3.152 1
1 841 . 8 1 1 A 79 79 CYS H H 79 8.807 9.197 -0.390 1
1 842 . 8 1 1 A 79 79 CYS HA H 79 4.410 4.941 -0.531 1
1 845 . 8 1 1 A 79 79 CYS C C 79 172.501 172.588 -0.087 1
1 846 . 8 1 1 A 79 79 CYS CA C 79 58.141 57.177 0.964 1
1 847 . 8 1 1 A 79 79 CYS CB C 79 28.102 28.493 -0.391 1
1 848 . 8 1 1 A 79 79 CYS N N 79 125.160 125.354 -0.194 1
1 849 . 8 1 1 A 80 80 LEU H H 80 8.417 8.477 -0.060 1
1 850 . 8 1 1 A 80 80 LEU HA H 80 4.377 4.617 -0.240 1
1 860 . 8 1 1 A 80 80 LEU C C 80 175.846 175.533 0.313 1
1 861 . 8 1 1 A 80 80 LEU CA C 80 54.400 53.136 1.264 1
1 862 . 8 1 1 A 80 80 LEU CB C 80 41.520 42.314 -0.794 1
1 866 . 8 1 1 A 80 80 LEU N N 80 123.584 126.707 -3.123 1
1 867 . 8 1 1 A 81 81 TYR H H 81 8.090 8.516 -0.426 1
1 868 . 8 1 1 A 81 81 TYR HA H 81 5.085 4.738 0.347 1
1 875 . 8 1 1 A 81 81 TYR C C 81 175.341 174.081 1.260 1
1 876 . 8 1 1 A 81 81 TYR CA C 81 55.561 56.406 -0.845 1
1 877 . 8 1 1 A 81 81 TYR CB C 81 36.792 37.914 -1.122 1
1 882 . 8 1 1 A 81 81 TYR N N 81 123.717 125.356 -1.639 1
1 883 . 8 1 1 A 82 82 PRO HA H 82 4.358 4.319 0.039 1
1 890 . 8 1 1 A 82 82 PRO CA C 82 64.469 63.613 0.856 1
1 891 . 8 1 1 A 82 82 PRO CB C 82 31.395 31.484 -0.089 1
1 894 . 8 1 1 A 83 83 GLY HA2 H 83 4.164 3.948 0.216 1
1 895 . 8 1 1 A 83 83 GLY HA3 H 83 3.880 3.955 -0.075 1
1 896 . 8 1 1 A 83 83 GLY C C 83 174.832 174.539 0.293 1
1 897 . 8 1 1 A 83 83 GLY CA C 83 45.437 46.969 -1.532 1
1 898 . 8 1 1 A 84 84 GLY H H 84 7.641 8.352 -0.711 1
1 899 . 8 1 1 A 84 84 GLY HA2 H 84 4.581 4.186 0.395 1
1 900 . 8 1 1 A 84 84 GLY HA3 H 84 3.788 4.188 -0.400 1
1 901 . 8 1 1 A 84 84 GLY C C 84 174.354 172.974 1.380 1
1 902 . 8 1 1 A 84 84 GLY CA C 84 44.801 45.735 -0.934 1
1 903 . 8 1 1 A 84 84 GLY N N 84 107.816 112.858 -5.042 1
1 904 . 8 1 1 A 85 85 GLY H H 85 8.303 8.172 0.131 1
1 905 . 8 1 1 A 85 85 GLY HA2 H 85 4.322 4.356 -0.034 1
1 906 . 8 1 1 A 85 85 GLY HA3 H 85 4.113 4.434 -0.321 1
1 907 . 8 1 1 A 85 85 GLY C C 85 172.757 171.956 0.801 1
1 908 . 8 1 1 A 85 85 GLY CA C 85 44.602 45.783 -1.181 1
1 909 . 8 1 1 A 85 85 GLY N N 85 108.998 108.921 0.077 1
1 910 . 8 1 1 A 86 86 SER H H 86 8.361 8.606 -0.245 1
1 911 . 8 1 1 A 86 86 SER HA H 86 5.024 5.133 -0.109 1
1 914 . 8 1 1 A 86 86 SER C C 86 173.484 172.751 0.733 1
1 915 . 8 1 1 A 86 86 SER CA C 86 57.738 57.636 0.102 1
1 916 . 8 1 1 A 86 86 SER CB C 86 66.693 66.070 0.623 1
1 917 . 8 1 1 A 86 86 SER N N 86 111.910 114.444 -2.534 1
1 918 . 8 1 1 A 87 87 SER H H 87 8.105 9.053 -0.948 1
1 919 . 8 1 1 A 87 87 SER HA H 87 4.827 4.832 -0.005 1
1 922 . 8 1 1 A 87 87 SER C C 87 173.377 171.999 1.378 1
1 923 . 8 1 1 A 87 87 SER CA C 87 57.737 56.184 1.553 1
1 924 . 8 1 1 A 87 87 SER CB C 87 65.849 64.325 1.524 1
1 925 . 8 1 1 A 87 87 SER N N 87 112.598 115.563 -2.965 1
1 926 . 8 1 1 A 88 88 THR H H 88 8.778 8.594 0.184 1
1 927 . 8 1 1 A 88 88 THR HA H 88 5.439 5.174 0.265 1
1 932 . 8 1 1 A 88 88 THR C C 88 173.289 173.247 0.042 1
1 933 . 8 1 1 A 88 88 THR CA C 88 62.083 61.344 0.739 1
1 934 . 8 1 1 A 88 88 THR CB C 88 72.001 72.634 -0.633 1
1 936 . 8 1 1 A 88 88 THR N N 88 120.383 116.628 3.755 1
1 937 . 8 1 1 A 89 89 LEU H H 89 8.832 9.392 -0.560 1
1 938 . 8 1 1 A 89 89 LEU HA H 89 4.766 4.746 0.020 1
1 948 . 8 1 1 A 89 89 LEU C C 89 175.440 176.553 -1.113 1
1 949 . 8 1 1 A 89 89 LEU CA C 89 53.671 53.698 -0.027 1
1 950 . 8 1 1 A 89 89 LEU CB C 89 45.972 42.784 3.188 1
1 954 . 8 1 1 A 89 89 LEU N N 89 128.653 126.668 1.985 1
1 955 . 8 1 1 A 90 90 THR H H 90 8.576 8.743 -0.167 1
1 956 . 8 1 1 A 90 90 THR HA H 90 5.622 4.792 0.830 1
1 961 . 8 1 1 A 90 90 THR C C 90 174.307 174.392 -0.085 1
1 962 . 8 1 1 A 90 90 THR CA C 90 60.799 61.259 -0.460 1
1 963 . 8 1 1 A 90 90 THR CB C 90 71.589 69.815 1.774 1
1 965 . 8 1 1 A 90 90 THR N N 90 115.259 117.483 -2.224 1
1 966 . 8 1 1 A 91 91 GLY H H 91 9.071 8.725 0.346 1
1 967 . 8 1 1 A 91 91 GLY HA2 H 91 4.605 4.402 0.203 1
1 968 . 8 1 1 A 91 91 GLY HA3 H 91 3.960 4.448 -0.488 1
1 969 . 8 1 1 A 91 91 GLY C C 91 170.717 171.811 -1.094 1
1 970 . 8 1 1 A 91 91 GLY CA C 91 45.314 45.191 0.123 1
1 971 . 8 1 1 A 91 91 GLY N N 91 112.300 109.185 3.115 1
1 972 . 8 1 1 A 92 92 ARG H H 92 8.558 8.798 -0.240 1
1 973 . 8 1 1 A 92 92 ARG HA H 92 5.594 5.027 0.567 1
1 980 . 8 1 1 A 92 92 ARG C C 92 173.260 174.689 -1.429 1
1 981 . 8 1 1 A 92 92 ARG CA C 92 54.806 55.076 -0.270 1
1 982 . 8 1 1 A 92 92 ARG CB C 92 34.464 32.690 1.774 1
1 985 . 8 1 1 A 92 92 ARG N N 92 119.774 124.580 -4.806 1
1 986 . 8 1 1 A 93 93 VAL H H 93 8.430 8.412 0.018 1
1 987 . 8 1 1 A 93 93 VAL HA H 93 4.081 4.481 -0.400 1
1 995 . 8 1 1 A 93 93 VAL C C 93 171.210 173.500 -2.290 1
1 996 . 8 1 1 A 93 93 VAL CA C 93 58.915 59.600 -0.685 1
1 997 . 8 1 1 A 93 93 VAL CB C 93 33.683 34.247 -0.564 1
1 1000 . 8 1 1 A 93 93 VAL N N 93 120.381 120.416 -0.035 1
1 1001 . 8 1 1 A 94 94 THR H H 94 8.129 8.765 -0.636 1
1 1002 . 8 1 1 A 94 94 THR HA H 94 5.342 4.873 0.469 1
1 1007 . 8 1 1 A 94 94 THR C C 94 174.637 174.487 0.150 1
1 1008 . 8 1 1 A 94 94 THR CA C 94 60.799 62.021 -1.222 1
1 1009 . 8 1 1 A 94 94 THR CB C 94 70.768 69.093 1.675 1
1 1011 . 8 1 1 A 94 94 THR N N 94 124.645 123.513 1.132 1
1 1012 . 8 1 1 A 95 95 THR H H 95 8.906 8.472 0.434 1
1 1013 . 8 1 1 A 95 95 THR HA H 95 4.115 4.282 -0.167 1
1 1018 . 8 1 1 A 95 95 THR C C 95 175.367 174.439 0.928 1
1 1019 . 8 1 1 A 95 95 THR CA C 95 60.909 62.394 -1.485 1
1 1020 . 8 1 1 A 95 95 THR CB C 95 70.346 69.958 0.388 1
1 1022 . 8 1 1 A 95 95 THR N N 95 116.835 121.100 -4.265 1
1 1023 . 8 1 1 A 96 96 LYS H H 96 7.372 8.323 -0.951 1
1 1024 . 8 1 1 A 96 96 LYS HA H 96 4.189 4.328 -0.139 1
1 1033 . 8 1 1 A 96 96 LYS C C 96 176.308 176.793 -0.485 1
1 1034 . 8 1 1 A 96 96 LYS CA C 96 55.207 56.443 -1.236 1
1 1035 . 8 1 1 A 96 96 LYS CB C 96 34.095 33.568 0.527 1
1 1039 . 8 1 1 A 96 96 LYS N N 96 116.829 123.215 -6.386 1
1 1040 . 8 1 1 A 97 97 LYS H H 97 8.113 8.458 -0.345 1
1 1041 . 8 1 1 A 97 97 LYS HA H 97 4.356 4.565 -0.209 1
1 1050 . 8 1 1 A 97 97 LYS C C 97 176.106 176.616 -0.510 1
1 1051 . 8 1 1 A 97 97 LYS CA C 97 56.260 55.645 0.615 1
1 1052 . 8 1 1 A 97 97 LYS CB C 97 33.140 33.996 -0.856 1
1 1056 . 8 1 1 A 97 97 LYS N N 97 119.233 120.985 -1.752 1
1 1057 . 8 1 1 A 98 98 ALA H H 98 8.484 8.515 -0.031 1
1 1058 . 8 1 1 A 98 98 ALA HA H 98 4.054 3.712 0.342 1
1 1062 . 8 1 1 A 98 98 ALA C C 98 175.754 175.596 0.158 1
1 1063 . 8 1 1 A 98 98 ALA CA C 98 50.511 50.463 0.048 1
1 1064 . 8 1 1 A 98 98 ALA CB C 98 17.093 17.912 -0.819 1
1 1065 . 8 1 1 A 98 98 ALA N N 98 126.424 126.536 -0.112 1
1 1066 . 8 1 1 A 99 99 PRO HA H 99 4.313 4.447 -0.134 1
1 1073 . 8 1 1 A 99 99 PRO C C 99 176.506 176.426 0.080 1
1 1074 . 8 1 1 A 99 99 PRO CA C 99 62.584 62.385 0.199 1
1 1075 . 8 1 1 A 99 99 PRO CB C 99 32.024 32.095 -0.071 1
1 1078 . 8 1 1 A 100 100 SER H H 100 8.377 8.526 -0.149 1
1 1079 . 8 1 1 A 100 100 SER HA H 100 4.688 4.759 -0.071 1
1 1082 . 8 1 1 A 100 100 SER CA C 100 56.296 57.147 -0.851 1
1 1083 . 8 1 1 A 100 100 SER CB C 100 63.276 63.159 0.117 1
1 1084 . 8 1 1 A 100 100 SER N N 100 117.700 117.834 -0.134 1
1 1086 . 8 1 1 A 103 103 SER HA H 103 4.507 5.036 -0.529 1
1 1089 . 8 1 1 A 103 103 SER CA C 103 58.198 56.612 1.586 1
1 1090 . 8 1 1 A 103 103 SER CB C 103 63.882 66.163 -2.281 1
1 1091 . 8 1 1 A 104 104 GLY H H 104 8.233 8.633 -0.400 1
1 1092 . 8 1 1 A 104 104 GLY HA2 H 104 4.124 4.525 -0.401 1
1 1093 . 8 1 1 A 104 104 GLY HA3 H 104 4.124 4.525 -0.401 1
1 1094 . 8 1 1 A 104 104 GLY CA C 104 44.608 45.749 -1.141 1
1 1095 . 8 1 1 A 104 104 GLY N N 104 110.600 107.917 2.683 1
1 1096 . 8 1 1 A 105 105 PRO HA H 105 4.460 4.307 0.153 1
1 1103 . 8 1 1 A 105 105 PRO CA C 105 63.264 64.981 -1.717 1
1 1104 . 8 1 1 A 105 105 PRO CB C 105 32.094 31.922 0.172 1
1 1 . 9 1 1 A 6 6 SER HA H 6 4.470 4.110 0.360 1
1 3 . 9 1 1 A 6 6 SER C C 6 175.031 174.019 1.012 1
1 4 . 9 1 1 A 6 6 SER CA C 6 58.687 58.956 -0.269 1
1 5 . 9 1 1 A 6 6 SER CB C 6 63.635 61.672 1.963 1
1 6 . 9 1 1 A 7 7 GLY H H 7 8.390 8.132 0.258 1
1 7 . 9 1 1 A 7 7 GLY HA2 H 7 3.941 4.026 -0.085 1
1 8 . 9 1 1 A 7 7 GLY HA3 H 7 3.941 4.028 -0.087 1
1 9 . 9 1 1 A 7 7 GLY C C 7 173.892 172.217 1.675 1
1 10 . 9 1 1 A 7 7 GLY CA C 7 45.348 45.150 0.198 1
1 11 . 9 1 1 A 7 7 GLY N N 7 110.659 109.458 1.201 1
1 12 . 9 1 1 A 8 8 LEU H H 8 8.017 8.459 -0.442 1
1 13 . 9 1 1 A 8 8 LEU HA H 8 4.347 5.046 -0.699 1
1 23 . 9 1 1 A 8 8 LEU C C 8 176.816 175.405 1.411 1
1 24 . 9 1 1 A 8 8 LEU CA C 8 54.760 53.822 0.938 1
1 25 . 9 1 1 A 8 8 LEU CB C 8 42.565 43.816 -1.251 1
1 29 . 9 1 1 A 8 8 LEU N N 8 121.546 124.687 -3.141 1
1 30 . 9 1 1 A 9 9 ALA H H 9 8.291 8.579 -0.288 1
1 31 . 9 1 1 A 9 9 ALA HA H 9 4.589 4.773 -0.184 1
1 35 . 9 1 1 A 9 9 ALA C C 9 174.928 174.581 0.347 1
1 36 . 9 1 1 A 9 9 ALA CA C 9 50.381 50.091 0.290 1
1 37 . 9 1 1 A 9 9 ALA CB C 9 18.293 21.815 -3.522 1
1 38 . 9 1 1 A 9 9 ALA N N 9 126.618 126.965 -0.347 1
1 39 . 9 1 1 A 10 10 PRO HA H 10 4.708 4.678 0.030 1
1 45 . 9 1 1 A 10 10 PRO CA C 10 61.347 62.196 -0.849 1
1 46 . 9 1 1 A 10 10 PRO CB C 10 30.783 31.855 -1.072 1
1 49 . 9 1 1 A 11 11 PRO HA H 11 4.442 4.395 0.047 1
1 56 . 9 1 1 A 11 11 PRO C C 11 176.585 176.546 0.039 1
1 57 . 9 1 1 A 11 11 PRO CA C 11 63.016 64.900 -1.884 1
1 58 . 9 1 1 A 11 11 PRO CB C 11 32.096 32.276 -0.180 1
1 61 . 9 1 1 A 12 12 ARG H H 12 8.348 7.633 0.715 1
1 62 . 9 1 1 A 12 12 ARG HA H 12 4.405 4.859 -0.454 1
1 69 . 9 1 1 A 12 12 ARG C C 12 175.204 174.507 0.697 1
1 70 . 9 1 1 A 12 12 ARG CA C 12 55.797 54.100 1.697 1
1 71 . 9 1 1 A 12 12 ARG CB C 12 32.052 35.128 -3.076 1
1 74 . 9 1 1 A 12 12 ARG N N 12 120.519 117.657 2.862 1
1 75 . 9 1 1 A 13 13 HIS H H 13 8.296 8.721 -0.425 1
1 76 . 9 1 1 A 13 13 HIS HA H 13 4.815 5.168 -0.353 1
1 81 . 9 1 1 A 13 13 HIS C C 13 174.544 175.289 -0.745 1
1 82 . 9 1 1 A 13 13 HIS CA C 13 55.783 55.183 0.600 1
1 83 . 9 1 1 A 13 13 HIS CB C 13 32.469 32.328 0.141 1
1 86 . 9 1 1 A 13 13 HIS N N 13 118.569 117.568 1.001 1
1 87 . 9 1 1 A 14 14 LEU H H 14 8.209 8.573 -0.364 1
1 88 . 9 1 1 A 14 14 LEU HA H 14 4.655 4.908 -0.253 1
1 98 . 9 1 1 A 14 14 LEU C C 14 175.977 176.196 -0.219 1
1 99 . 9 1 1 A 14 14 LEU CA C 14 53.935 53.863 0.072 1
1 100 . 9 1 1 A 14 14 LEU CB C 14 44.113 43.728 0.385 1
1 104 . 9 1 1 A 14 14 LEU N N 14 120.625 122.421 -1.796 1
1 105 . 9 1 1 A 15 15 GLY H H 15 7.988 7.831 0.157 1
1 106 . 9 1 1 A 15 15 GLY HA2 H 15 4.008 3.342 0.666 1
1 107 . 9 1 1 A 15 15 GLY HA3 H 15 2.486 4.041 -1.555 1
1 108 . 9 1 1 A 15 15 GLY C C 15 170.056 170.778 -0.722 1
1 109 . 9 1 1 A 15 15 GLY CA C 15 43.188 43.848 -0.660 1
1 110 . 9 1 1 A 15 15 GLY N N 15 111.142 108.447 2.695 1
1 111 . 9 1 1 A 16 16 PHE H H 16 8.078 8.491 -0.413 1
1 112 . 9 1 1 A 16 16 PHE HA H 16 5.830 5.251 0.579 1
1 120 . 9 1 1 A 16 16 PHE C C 16 175.968 174.598 1.370 1
1 121 . 9 1 1 A 16 16 PHE CA C 16 56.048 55.627 0.421 1
1 122 . 9 1 1 A 16 16 PHE CB C 16 43.353 41.855 1.498 1
1 128 . 9 1 1 A 16 16 PHE N N 16 114.388 121.500 -7.112 1
1 129 . 9 1 1 A 17 17 SER H H 17 9.811 8.902 0.909 1
1 130 . 9 1 1 A 17 17 SER HA H 17 4.883 5.096 -0.213 1
1 133 . 9 1 1 A 17 17 SER C C 17 171.638 174.159 -2.521 1
1 134 . 9 1 1 A 17 17 SER CA C 17 57.073 57.414 -0.341 1
1 135 . 9 1 1 A 17 17 SER CB C 17 66.893 66.753 0.140 1
1 136 . 9 1 1 A 17 17 SER N N 17 118.688 117.830 0.858 1
1 137 . 9 1 1 A 18 18 ASP H H 18 9.001 9.087 -0.086 1
1 138 . 9 1 1 A 18 18 ASP HA H 18 4.171 4.277 -0.106 1
1 141 . 9 1 1 A 18 18 ASP C C 18 174.520 175.094 -0.574 1
1 142 . 9 1 1 A 18 18 ASP CA C 18 55.333 54.860 0.473 1
1 143 . 9 1 1 A 18 18 ASP CB C 18 40.075 39.461 0.614 1
1 144 . 9 1 1 A 18 18 ASP N N 18 116.878 123.528 -6.650 1
1 145 . 9 1 1 A 19 19 VAL H H 19 8.202 8.016 0.186 1
1 146 . 9 1 1 A 19 19 VAL HA H 19 4.169 4.135 0.034 1
1 154 . 9 1 1 A 19 19 VAL C C 19 176.641 175.297 1.344 1
1 155 . 9 1 1 A 19 19 VAL CA C 19 63.962 63.394 0.568 1
1 156 . 9 1 1 A 19 19 VAL CB C 19 31.236 31.803 -0.567 1
1 159 . 9 1 1 A 19 19 VAL N N 19 117.253 119.897 -2.644 1
1 160 . 9 1 1 A 20 20 SER H H 20 9.066 9.098 -0.032 1
1 161 . 9 1 1 A 20 20 SER HA H 20 5.061 4.895 0.166 1
1 164 . 9 1 1 A 20 20 SER C C 20 174.081 174.788 -0.707 1
1 165 . 9 1 1 A 20 20 SER CA C 20 55.582 57.053 -1.471 1
1 166 . 9 1 1 A 20 20 SER CB C 20 65.090 66.878 -1.788 1
1 167 . 9 1 1 A 20 20 SER N N 20 126.686 119.390 7.296 1
1 168 . 9 1 1 A 21 21 HIS H H 21 8.635 8.190 0.445 1
1 169 . 9 1 1 A 21 21 HIS HA H 21 4.895 4.554 0.341 1
1 174 . 9 1 1 A 21 21 HIS C C 21 175.242 175.432 -0.190 1
1 175 . 9 1 1 A 21 21 HIS CA C 21 56.934 56.866 0.068 1
1 176 . 9 1 1 A 21 21 HIS CB C 21 30.651 29.923 0.728 1
1 179 . 9 1 1 A 21 21 HIS N N 21 117.241 120.914 -3.673 1
1 180 . 9 1 1 A 22 22 ASP H H 22 7.400 7.744 -0.344 1
1 181 . 9 1 1 A 22 22 ASP HA H 22 4.803 4.992 -0.189 1
1 184 . 9 1 1 A 22 22 ASP C C 22 176.754 174.888 1.866 1
1 185 . 9 1 1 A 22 22 ASP CA C 22 52.316 53.197 -0.881 1
1 186 . 9 1 1 A 22 22 ASP CB C 22 41.697 41.555 0.142 1
1 187 . 9 1 1 A 22 22 ASP N N 22 115.766 115.833 -0.067 1
1 188 . 9 1 1 A 23 23 ALA H H 23 7.379 7.438 -0.059 1
1 189 . 9 1 1 A 23 23 ALA HA H 23 4.753 4.551 0.202 1
1 193 . 9 1 1 A 23 23 ALA C C 23 174.757 175.070 -0.313 1
1 194 . 9 1 1 A 23 23 ALA CA C 23 51.613 51.619 -0.006 1
1 195 . 9 1 1 A 23 23 ALA CB C 23 22.882 22.328 0.554 1
1 196 . 9 1 1 A 23 23 ALA N N 23 122.521 119.733 2.788 1
1 197 . 9 1 1 A 24 24 ALA H H 24 7.745 8.084 -0.339 1
1 198 . 9 1 1 A 24 24 ALA HA H 24 4.593 4.872 -0.279 1
1 202 . 9 1 1 A 24 24 ALA C C 24 173.662 175.272 -1.610 1
1 203 . 9 1 1 A 24 24 ALA CA C 24 52.233 51.889 0.344 1
1 204 . 9 1 1 A 24 24 ALA CB C 24 22.894 22.357 0.537 1
1 205 . 9 1 1 A 24 24 ALA N N 24 115.485 120.298 -4.813 1
1 206 . 9 1 1 A 25 25 ARG H H 25 8.690 8.322 0.368 1
1 207 . 9 1 1 A 25 25 ARG HA H 25 5.209 4.841 0.368 1
1 214 . 9 1 1 A 25 25 ARG C C 25 174.777 174.806 -0.029 1
1 215 . 9 1 1 A 25 25 ARG CA C 25 55.161 55.389 -0.228 1
1 216 . 9 1 1 A 25 25 ARG CB C 25 32.329 31.553 0.776 1
1 219 . 9 1 1 A 25 25 ARG N N 25 122.853 123.987 -1.134 1
1 220 . 9 1 1 A 26 26 VAL H H 26 8.865 9.259 -0.394 1
1 221 . 9 1 1 A 26 26 VAL HA H 26 5.120 4.735 0.385 1
1 229 . 9 1 1 A 26 26 VAL C C 26 172.428 175.152 -2.724 1
1 230 . 9 1 1 A 26 26 VAL CA C 26 57.420 60.111 -2.691 1
1 231 . 9 1 1 A 26 26 VAL CB C 26 34.734 34.296 0.438 1
1 234 . 9 1 1 A 26 26 VAL N N 26 125.534 127.196 -1.662 1
1 235 . 9 1 1 A 27 27 PHE H H 27 8.520 8.590 -0.070 1
1 236 . 9 1 1 A 27 27 PHE HA H 27 5.039 5.156 -0.117 1
1 244 . 9 1 1 A 27 27 PHE C C 27 172.979 172.736 0.243 1
1 245 . 9 1 1 A 27 27 PHE CA C 27 56.293 55.274 1.019 1
1 246 . 9 1 1 A 27 27 PHE CB C 27 42.190 42.043 0.147 1
1 252 . 9 1 1 A 27 27 PHE N N 27 123.552 122.902 0.650 1
1 253 . 9 1 1 A 28 28 TRP H H 28 7.813 8.105 -0.292 1
1 254 . 9 1 1 A 28 28 TRP HA H 28 5.058 5.527 -0.469 1
1 263 . 9 1 1 A 28 28 TRP C C 28 174.131 175.981 -1.850 1
1 264 . 9 1 1 A 28 28 TRP CA C 28 55.730 54.788 0.942 1
1 265 . 9 1 1 A 28 28 TRP CB C 28 30.997 32.372 -1.375 1
1 271 . 9 1 1 A 28 28 TRP N N 28 116.968 117.986 -1.018 1
1 273 . 9 1 1 A 29 29 GLU H H 29 8.362 9.143 -0.781 1
1 274 . 9 1 1 A 29 29 GLU HA H 29 4.356 4.408 -0.052 1
1 279 . 9 1 1 A 29 29 GLU C C 29 177.125 176.873 0.252 1
1 280 . 9 1 1 A 29 29 GLU CA C 29 55.820 56.414 -0.594 1
1 281 . 9 1 1 A 29 29 GLU CB C 29 31.085 29.793 1.292 1
1 283 . 9 1 1 A 29 29 GLU N N 29 119.239 118.927 0.312 1
1 284 . 9 1 1 A 30 30 GLY H H 30 8.729 8.175 0.554 1
1 285 . 9 1 1 A 30 30 GLY HA2 H 30 4.051 4.182 -0.131 1
1 286 . 9 1 1 A 30 30 GLY HA3 H 30 3.781 4.399 -0.618 1
1 287 . 9 1 1 A 30 30 GLY C C 30 173.621 172.815 0.806 1
1 288 . 9 1 1 A 30 30 GLY CA C 30 45.559 44.946 0.613 1
1 289 . 9 1 1 A 30 30 GLY N N 30 110.979 107.847 3.132 1
1 290 . 9 1 1 A 31 31 ALA H H 31 8.747 8.068 0.679 1
1 291 . 9 1 1 A 31 31 ALA HA H 31 4.577 5.049 -0.472 1
1 295 . 9 1 1 A 31 31 ALA C C 31 177.064 176.880 0.184 1
1 296 . 9 1 1 A 31 31 ALA CA C 31 50.416 50.095 0.321 1
1 297 . 9 1 1 A 31 31 ALA CB C 31 19.221 22.228 -3.007 1
1 298 . 9 1 1 A 31 31 ALA N N 31 126.357 121.697 4.660 1
1 299 . 9 1 1 A 32 32 PRO HA H 32 4.630 4.474 0.156 1
1 306 . 9 1 1 A 32 32 PRO C C 32 175.001 175.159 -0.158 1
1 307 . 9 1 1 A 32 32 PRO CA C 32 63.368 64.016 -0.648 1
1 308 . 9 1 1 A 32 32 PRO CB C 32 30.738 31.645 -0.907 1
1 311 . 9 1 1 A 33 33 ARG H H 33 7.418 7.356 0.062 1
1 312 . 9 1 1 A 33 33 ARG HA H 33 4.746 4.800 -0.054 1
1 319 . 9 1 1 A 33 33 ARG C C 33 172.695 173.390 -0.695 1
1 320 . 9 1 1 A 33 33 ARG CA C 33 53.205 53.353 -0.148 1
1 321 . 9 1 1 A 33 33 ARG CB C 33 30.414 32.567 -2.153 1
1 324 . 9 1 1 A 33 33 ARG N N 33 117.994 113.743 4.251 1
1 325 . 9 1 1 A 34 34 PRO HA H 34 4.273 4.754 -0.481 1
1 332 . 9 1 1 A 34 34 PRO C C 34 175.342 175.404 -0.062 1
1 333 . 9 1 1 A 34 34 PRO CA C 34 64.037 62.614 1.423 1
1 334 . 9 1 1 A 34 34 PRO CB C 34 32.581 32.472 0.109 1
1 337 . 9 1 1 A 35 35 VAL H H 35 8.264 8.491 -0.227 1
1 338 . 9 1 1 A 35 35 VAL HA H 35 4.237 5.136 -0.899 1
1 346 . 9 1 1 A 35 35 VAL C C 35 175.771 176.626 -0.855 1
1 347 . 9 1 1 A 35 35 VAL CA C 35 61.890 59.866 2.024 1
1 348 . 9 1 1 A 35 35 VAL CB C 35 35.092 35.479 -0.387 1
1 351 . 9 1 1 A 35 35 VAL N N 35 122.377 122.350 0.027 1
1 352 . 9 1 1 A 36 36 ARG H H 36 9.278 8.308 0.970 1
1 353 . 9 1 1 A 36 36 ARG HA H 36 4.426 4.375 0.051 1
1 360 . 9 1 1 A 36 36 ARG C C 36 175.620 176.044 -0.424 1
1 361 . 9 1 1 A 36 36 ARG CA C 36 57.672 57.355 0.317 1
1 362 . 9 1 1 A 36 36 ARG CB C 36 31.595 31.096 0.499 1
1 365 . 9 1 1 A 36 36 ARG N N 36 125.821 124.779 1.042 1
1 366 . 9 1 1 A 37 37 LEU H H 37 7.525 7.182 0.343 1
1 367 . 9 1 1 A 37 37 LEU HA H 37 4.403 4.865 -0.462 1
1 377 . 9 1 1 A 37 37 LEU C C 37 172.405 174.084 -1.679 1
1 378 . 9 1 1 A 37 37 LEU CA C 37 54.913 54.224 0.689 1
1 379 . 9 1 1 A 37 37 LEU CB C 37 46.166 45.926 0.240 1
1 383 . 9 1 1 A 37 37 LEU N N 37 119.761 119.307 0.454 1
1 384 . 9 1 1 A 38 38 VAL H H 38 8.513 9.005 -0.492 1
1 385 . 9 1 1 A 38 38 VAL HA H 38 4.790 4.673 0.117 1
1 393 . 9 1 1 A 38 38 VAL C C 38 174.595 174.875 -0.280 1
1 394 . 9 1 1 A 38 38 VAL CA C 38 60.992 61.377 -0.385 1
1 395 . 9 1 1 A 38 38 VAL CB C 38 33.979 34.461 -0.482 1
1 398 . 9 1 1 A 38 38 VAL N N 38 123.604 125.210 -1.606 1
1 399 . 9 1 1 A 39 39 ARG H H 39 9.025 8.905 0.120 1
1 400 . 9 1 1 A 39 39 ARG HA H 39 4.839 4.904 -0.065 1
1 407 . 9 1 1 A 39 39 ARG C C 39 174.581 175.472 -0.891 1
1 408 . 9 1 1 A 39 39 ARG CA C 39 55.150 55.511 -0.361 1
1 409 . 9 1 1 A 39 39 ARG CB C 39 32.919 31.903 1.016 1
1 412 . 9 1 1 A 39 39 ARG N N 39 126.442 127.188 -0.746 1
1 413 . 9 1 1 A 40 40 VAL H H 40 9.059 9.230 -0.171 1
1 414 . 9 1 1 A 40 40 VAL HA H 40 5.177 5.213 -0.036 1
1 422 . 9 1 1 A 40 40 VAL C C 40 175.508 175.130 0.378 1
1 423 . 9 1 1 A 40 40 VAL CA C 40 60.513 61.117 -0.604 1
1 424 . 9 1 1 A 40 40 VAL CB C 40 33.390 34.639 -1.249 1
1 427 . 9 1 1 A 40 40 VAL N N 40 127.219 123.458 3.761 1
1 428 . 9 1 1 A 41 41 THR H H 41 9.244 9.230 0.014 1
1 429 . 9 1 1 A 41 41 THR HA H 41 5.056 5.552 -0.496 1
1 434 . 9 1 1 A 41 41 THR C C 41 173.323 173.736 -0.413 1
1 435 . 9 1 1 A 41 41 THR CA C 41 59.618 60.385 -0.767 1
1 436 . 9 1 1 A 41 41 THR CB C 41 71.668 70.900 0.768 1
1 438 . 9 1 1 A 41 41 THR N N 41 117.579 120.096 -2.517 1
1 439 . 9 1 1 A 42 42 TYR H H 42 7.955 8.316 -0.361 1
1 440 . 9 1 1 A 42 42 TYR HA H 42 5.825 6.059 -0.234 1
1 447 . 9 1 1 A 42 42 TYR C C 42 173.794 173.440 0.354 1
1 448 . 9 1 1 A 42 42 TYR CA C 42 54.314 55.181 -0.867 1
1 449 . 9 1 1 A 42 42 TYR CB C 42 39.788 42.218 -2.430 1
1 454 . 9 1 1 A 42 42 TYR N N 42 117.304 119.457 -2.153 1
1 455 . 9 1 1 A 43 43 VAL H H 43 8.547 8.514 0.033 1
1 456 . 9 1 1 A 43 43 VAL HA H 43 5.069 4.714 0.355 1
1 464 . 9 1 1 A 43 43 VAL C C 43 174.912 173.698 1.214 1
1 465 . 9 1 1 A 43 43 VAL CA C 43 60.142 60.455 -0.313 1
1 466 . 9 1 1 A 43 43 VAL CB C 43 35.329 35.322 0.007 1
1 469 . 9 1 1 A 43 43 VAL N N 43 119.038 120.953 -1.915 1
1 470 . 9 1 1 A 44 44 SER H H 44 9.123 8.742 0.381 1
1 471 . 9 1 1 A 44 44 SER HA H 44 4.307 2.760 1.547 1
1 474 . 9 1 1 A 44 44 SER C C 44 176.777 173.930 2.847 1
1 475 . 9 1 1 A 44 44 SER CA C 44 57.838 57.193 0.645 1
1 476 . 9 1 1 A 44 44 SER CB C 44 64.064 64.822 -0.758 1
1 477 . 9 1 1 A 44 44 SER N N 44 124.942 122.366 2.576 1
1 478 . 9 1 1 A 45 45 SER H H 45 8.562 8.418 0.144 1
1 479 . 9 1 1 A 45 45 SER HA H 45 4.175 4.358 -0.183 1
1 482 . 9 1 1 A 45 45 SER C C 45 175.366 175.173 0.193 1
1 483 . 9 1 1 A 45 45 SER CA C 45 61.239 58.283 2.956 1
1 484 . 9 1 1 A 45 45 SER CB C 45 62.976 63.847 -0.871 1
1 485 . 9 1 1 A 45 45 SER N N 45 119.157 117.532 1.625 1
1 486 . 9 1 1 A 46 46 GLU H H 46 8.321 8.990 -0.669 1
1 487 . 9 1 1 A 46 46 GLU HA H 46 4.442 4.089 0.353 1
1 492 . 9 1 1 A 46 46 GLU C C 46 177.463 176.105 1.358 1
1 493 . 9 1 1 A 46 46 GLU CA C 46 56.409 57.108 -0.699 1
1 494 . 9 1 1 A 46 46 GLU CB C 46 29.633 27.319 2.314 1
1 496 . 9 1 1 A 46 46 GLU N N 46 119.112 125.228 -6.116 1
1 497 . 9 1 1 A 47 47 GLY H H 47 8.129 8.500 -0.371 1
1 498 . 9 1 1 A 47 47 GLY HA2 H 47 4.150 3.923 0.227 1
1 499 . 9 1 1 A 47 47 GLY HA3 H 47 3.646 3.949 -0.303 1
1 500 . 9 1 1 A 47 47 GLY C C 47 175.047 173.735 1.312 1
1 501 . 9 1 1 A 47 47 GLY CA C 47 45.400 44.785 0.615 1
1 502 . 9 1 1 A 47 47 GLY N N 47 109.344 110.090 -0.746 1
1 503 . 9 1 1 A 48 48 GLY H H 48 7.927 8.493 -0.566 1
1 504 . 9 1 1 A 48 48 GLY HA2 H 48 3.982 4.121 -0.139 1
1 505 . 9 1 1 A 48 48 GLY HA3 H 48 3.855 4.124 -0.269 1
1 506 . 9 1 1 A 48 48 GLY C C 48 173.614 173.444 0.170 1
1 507 . 9 1 1 A 48 48 GLY CA C 48 46.073 44.163 1.910 1
1 508 . 9 1 1 A 48 48 GLY N N 48 107.840 108.171 -0.331 1
1 509 . 9 1 1 A 49 49 HIS H H 49 7.985 8.400 -0.415 1
1 510 . 9 1 1 A 49 49 HIS HA H 49 4.951 4.595 0.356 1
1 515 . 9 1 1 A 49 49 HIS C C 49 173.760 174.248 -0.488 1
1 516 . 9 1 1 A 49 49 HIS CA C 49 56.608 57.232 -0.624 1
1 517 . 9 1 1 A 49 49 HIS CB C 49 33.119 30.556 2.563 1
1 520 . 9 1 1 A 49 49 HIS N N 49 120.577 122.608 -2.031 1
1 521 . 9 1 1 A 50 50 SER H H 50 8.118 8.640 -0.522 1
1 522 . 9 1 1 A 50 50 SER HA H 50 5.184 4.841 0.343 1
1 525 . 9 1 1 A 50 50 SER C C 50 172.582 172.295 0.287 1
1 526 . 9 1 1 A 50 50 SER CA C 50 56.463 56.770 -0.307 1
1 527 . 9 1 1 A 50 50 SER CB C 50 66.423 66.123 0.300 1
1 528 . 9 1 1 A 50 50 SER N N 50 120.879 120.538 0.341 1
1 529 . 9 1 1 A 51 51 GLY H H 51 7.900 7.618 0.282 1
1 530 . 9 1 1 A 51 51 GLY HA2 H 51 4.027 3.912 0.115 1
1 531 . 9 1 1 A 51 51 GLY HA3 H 51 3.236 4.134 -0.898 1
1 532 . 9 1 1 A 51 51 GLY C C 51 171.073 171.790 -0.717 1
1 533 . 9 1 1 A 51 51 GLY CA C 51 44.696 44.679 0.017 1
1 534 . 9 1 1 A 51 51 GLY N N 51 108.215 107.739 0.476 1
1 535 . 9 1 1 A 52 52 GLN H H 52 8.256 8.426 -0.170 1
1 536 . 9 1 1 A 52 52 GLN HA H 52 5.308 5.319 -0.011 1
1 543 . 9 1 1 A 52 52 GLN C C 52 174.217 173.512 0.705 1
1 544 . 9 1 1 A 52 52 GLN CA C 52 54.516 54.834 -0.318 1
1 545 . 9 1 1 A 52 52 GLN CB C 52 32.541 31.969 0.572 1
1 547 . 9 1 1 A 52 52 GLN N N 52 115.667 119.402 -3.735 1
1 549 . 9 1 1 A 53 53 THR H H 53 9.298 9.289 0.009 1
1 550 . 9 1 1 A 53 53 THR HA H 53 4.753 5.221 -0.468 1
1 555 . 9 1 1 A 53 53 THR C C 53 171.720 172.737 -1.017 1
1 556 . 9 1 1 A 53 53 THR CA C 53 60.869 59.676 1.193 1
1 557 . 9 1 1 A 53 53 THR CB C 53 70.580 72.254 -1.674 1
1 559 . 9 1 1 A 53 53 THR N N 53 117.486 121.514 -4.028 1
1 560 . 9 1 1 A 54 54 GLU H H 54 8.404 8.777 -0.373 1
1 561 . 9 1 1 A 54 54 GLU HA H 54 5.378 5.056 0.322 1
1 566 . 9 1 1 A 54 54 GLU C C 54 174.705 175.692 -0.987 1
1 567 . 9 1 1 A 54 54 GLU CA C 54 54.693 54.993 -0.300 1
1 568 . 9 1 1 A 54 54 GLU CB C 54 33.434 32.679 0.755 1
1 570 . 9 1 1 A 54 54 GLU N N 54 123.651 126.820 -3.169 1
1 571 . 9 1 1 A 55 55 ALA H H 55 9.471 9.049 0.422 1
1 572 . 9 1 1 A 55 55 ALA HA H 55 5.056 5.043 0.013 1
1 576 . 9 1 1 A 55 55 ALA C C 55 172.938 174.416 -1.478 1
1 577 . 9 1 1 A 55 55 ALA CA C 55 49.216 49.920 -0.704 1
1 578 . 9 1 1 A 55 55 ALA CB C 55 20.410 22.607 -2.197 1
1 579 . 9 1 1 A 55 55 ALA N N 55 126.815 124.624 2.191 1
1 580 . 9 1 1 A 56 56 PRO HA H 56 4.630 4.657 -0.027 1
1 587 . 9 1 1 A 56 56 PRO C C 56 176.935 178.352 -1.417 1
1 588 . 9 1 1 A 56 56 PRO CA C 56 62.303 62.915 -0.612 1
1 589 . 9 1 1 A 56 56 PRO CB C 56 32.745 32.598 0.147 1
1 592 . 9 1 1 A 57 57 GLY H H 57 8.240 8.632 -0.392 1
1 593 . 9 1 1 A 57 57 GLY HA2 H 57 3.839 3.901 -0.062 1
1 594 . 9 1 1 A 57 57 GLY HA3 H 57 3.547 3.921 -0.374 1
1 595 . 9 1 1 A 57 57 GLY C C 57 173.839 174.790 -0.951 1
1 596 . 9 1 1 A 57 57 GLY CA C 57 47.092 46.871 0.221 1
1 597 . 9 1 1 A 57 57 GLY N N 57 104.338 110.411 -6.073 1
1 598 . 9 1 1 A 58 58 ASN H H 58 7.935 7.966 -0.031 1
1 599 . 9 1 1 A 58 58 ASN HA H 58 4.778 4.939 -0.161 1
1 604 . 9 1 1 A 58 58 ASN C C 58 175.578 173.912 1.666 1
1 605 . 9 1 1 A 58 58 ASN CA C 58 52.176 53.050 -0.874 1
1 606 . 9 1 1 A 58 58 ASN CB C 58 37.384 39.071 -1.687 1
1 607 . 9 1 1 A 58 58 ASN N N 58 114.653 116.689 -2.036 1
1 609 . 9 1 1 A 59 59 ALA H H 59 8.041 8.022 0.019 1
1 610 . 9 1 1 A 59 59 ALA HA H 59 4.360 4.471 -0.111 1
1 614 . 9 1 1 A 59 59 ALA C C 59 177.738 178.008 -0.270 1
1 615 . 9 1 1 A 59 59 ALA CA C 59 52.792 50.288 2.504 1
1 616 . 9 1 1 A 59 59 ALA CB C 59 20.834 20.139 0.695 1
1 617 . 9 1 1 A 59 59 ALA N N 59 124.183 123.231 0.952 1
1 618 . 9 1 1 A 60 60 THR H H 60 8.274 8.597 -0.323 1
1 619 . 9 1 1 A 60 60 THR HA H 60 3.299 3.750 -0.451 1
1 624 . 9 1 1 A 60 60 THR C C 60 171.681 173.004 -1.323 1
1 625 . 9 1 1 A 60 60 THR CA C 60 59.732 60.225 -0.493 1
1 626 . 9 1 1 A 60 60 THR CB C 60 69.010 68.471 0.539 1
1 628 . 9 1 1 A 60 60 THR N N 60 108.095 113.054 -4.959 1
1 629 . 9 1 1 A 61 61 SER H H 61 6.728 7.304 -0.576 1
1 630 . 9 1 1 A 61 61 SER HA H 61 4.584 4.544 0.040 1
1 633 . 9 1 1 A 61 61 SER C C 61 172.948 172.570 0.378 1
1 634 . 9 1 1 A 61 61 SER CA C 61 57.403 57.308 0.095 1
1 635 . 9 1 1 A 61 61 SER CB C 61 65.767 65.436 0.331 1
1 636 . 9 1 1 A 61 61 SER N N 61 110.991 113.182 -2.191 1
1 637 . 9 1 1 A 62 62 ALA H H 62 8.954 8.653 0.301 1
1 638 . 9 1 1 A 62 62 ALA HA H 62 4.581 5.048 -0.467 1
1 642 . 9 1 1 A 62 62 ALA C C 62 174.741 176.209 -1.468 1
1 643 . 9 1 1 A 62 62 ALA CA C 62 51.949 51.375 0.574 1
1 644 . 9 1 1 A 62 62 ALA CB C 62 21.659 23.251 -1.592 1
1 645 . 9 1 1 A 62 62 ALA N N 62 119.306 122.462 -3.156 1
1 646 . 9 1 1 A 63 63 MET H H 63 8.599 8.536 0.063 1
1 647 . 9 1 1 A 63 63 MET HA H 63 4.993 5.054 -0.061 1
1 655 . 9 1 1 A 63 63 MET C C 63 175.386 175.317 0.069 1
1 656 . 9 1 1 A 63 63 MET CA C 63 53.760 54.370 -0.610 1
1 657 . 9 1 1 A 63 63 MET CB C 63 31.842 34.655 -2.813 1
1 660 . 9 1 1 A 63 63 MET N N 63 120.537 119.974 0.563 1
1 661 . 9 1 1 A 64 64 LEU H H 64 9.244 8.221 1.023 1
1 662 . 9 1 1 A 64 64 LEU HA H 64 4.494 4.988 -0.494 1
1 672 . 9 1 1 A 64 64 LEU C C 64 175.976 175.496 0.480 1
1 673 . 9 1 1 A 64 64 LEU CA C 64 52.988 53.139 -0.151 1
1 674 . 9 1 1 A 64 64 LEU CB C 64 42.785 46.142 -3.357 1
1 678 . 9 1 1 A 64 64 LEU N N 64 124.823 121.197 3.626 1
1 679 . 9 1 1 A 65 65 GLY H H 65 7.516 8.133 -0.617 1
1 680 . 9 1 1 A 65 65 GLY HA2 H 65 4.505 4.073 0.432 1
1 681 . 9 1 1 A 65 65 GLY HA3 H 65 3.237 4.082 -0.845 1
1 682 . 9 1 1 A 65 65 GLY C C 65 170.608 172.329 -1.721 1
1 683 . 9 1 1 A 65 65 GLY CA C 65 44.505 44.406 0.099 1
1 684 . 9 1 1 A 65 65 GLY N N 65 106.855 108.381 -1.526 1
1 685 . 9 1 1 A 66 66 PRO HA H 66 4.626 4.751 -0.125 1
1 692 . 9 1 1 A 66 66 PRO C C 66 176.262 176.811 -0.549 1
1 693 . 9 1 1 A 66 66 PRO CA C 66 62.542 62.882 -0.340 1
1 694 . 9 1 1 A 66 66 PRO CB C 66 34.107 32.032 2.075 1
1 697 . 9 1 1 A 67 67 LEU H H 67 8.487 8.361 0.126 1
1 698 . 9 1 1 A 67 67 LEU HA H 67 4.586 4.728 -0.142 1
1 708 . 9 1 1 A 67 67 LEU C C 67 176.158 176.155 0.003 1
1 709 . 9 1 1 A 67 67 LEU CA C 67 52.335 53.339 -1.004 1
1 710 . 9 1 1 A 67 67 LEU CB C 67 43.440 42.685 0.755 1
1 714 . 9 1 1 A 67 67 LEU N N 67 124.582 123.465 1.117 1
1 715 . 9 1 1 A 68 68 SER H H 68 8.958 8.414 0.544 1
1 716 . 9 1 1 A 68 68 SER HA H 68 4.529 4.821 -0.292 1
1 719 . 9 1 1 A 68 68 SER C C 68 174.360 173.257 1.103 1
1 720 . 9 1 1 A 68 68 SER CA C 68 58.649 57.345 1.304 1
1 721 . 9 1 1 A 68 68 SER CB C 68 64.239 65.358 -1.119 1
1 722 . 9 1 1 A 68 68 SER N N 68 117.670 117.396 0.274 1
1 723 . 9 1 1 A 69 69 SER H H 69 8.511 8.796 -0.285 1
1 724 . 9 1 1 A 69 69 SER HA H 69 5.085 5.124 -0.039 1
1 727 . 9 1 1 A 69 69 SER C C 69 175.660 174.987 0.673 1
1 728 . 9 1 1 A 69 69 SER CA C 69 59.071 57.244 1.827 1
1 729 . 9 1 1 A 69 69 SER CB C 69 64.439 65.347 -0.908 1
1 730 . 9 1 1 A 69 69 SER N N 69 119.760 119.061 0.699 1
1 731 . 9 1 1 A 70 70 SER H H 70 7.974 9.269 -1.295 1
1 732 . 9 1 1 A 70 70 SER HA H 70 3.799 4.112 -0.313 1
1 735 . 9 1 1 A 70 70 SER C C 70 173.645 172.944 0.701 1
1 736 . 9 1 1 A 70 70 SER CA C 70 58.453 59.133 -0.680 1
1 737 . 9 1 1 A 70 70 SER CB C 70 62.477 61.931 0.546 1
1 738 . 9 1 1 A 70 70 SER N N 70 121.170 118.990 2.180 1
1 739 . 9 1 1 A 71 71 THR H H 71 8.325 7.792 0.533 1
1 740 . 9 1 1 A 71 71 THR HA H 71 4.482 4.810 -0.328 1
1 745 . 9 1 1 A 71 71 THR C C 71 171.950 173.550 -1.600 1
1 746 . 9 1 1 A 71 71 THR CA C 71 62.453 61.498 0.955 1
1 747 . 9 1 1 A 71 71 THR CB C 71 72.120 72.126 -0.006 1
1 749 . 9 1 1 A 71 71 THR N N 71 115.265 114.582 0.683 1
1 750 . 9 1 1 A 72 72 THR H H 72 8.963 8.913 0.050 1
1 751 . 9 1 1 A 72 72 THR HA H 72 5.044 4.705 0.339 1
1 756 . 9 1 1 A 72 72 THR C C 72 173.198 173.845 -0.647 1
1 757 . 9 1 1 A 72 72 THR CA C 72 62.216 63.118 -0.902 1
1 758 . 9 1 1 A 72 72 THR CB C 72 69.392 68.927 0.465 1
1 760 . 9 1 1 A 72 72 THR N N 72 124.221 121.904 2.317 1
1 761 . 9 1 1 A 73 73 TYR H H 73 9.711 9.568 0.143 1
1 762 . 9 1 1 A 73 73 TYR HA H 73 4.852 5.495 -0.643 1
1 767 . 9 1 1 A 73 73 TYR C C 73 175.854 174.838 1.016 1
1 768 . 9 1 1 A 73 73 TYR CA C 73 57.596 55.969 1.627 1
1 769 . 9 1 1 A 73 73 TYR CB C 73 41.377 41.245 0.132 1
1 774 . 9 1 1 A 73 73 TYR N N 73 126.553 125.994 0.559 1
1 775 . 9 1 1 A 74 74 THR H H 74 8.981 9.010 -0.029 1
1 776 . 9 1 1 A 74 74 THR HA H 74 4.648 4.800 -0.152 1
1 781 . 9 1 1 A 74 74 THR C C 74 174.296 174.176 0.120 1
1 782 . 9 1 1 A 74 74 THR CA C 74 63.156 62.413 0.743 1
1 783 . 9 1 1 A 74 74 THR CB C 74 68.916 68.950 -0.034 1
1 785 . 9 1 1 A 74 74 THR N N 74 118.190 119.431 -1.241 1
1 786 . 9 1 1 A 75 75 VAL H H 75 9.376 9.174 0.202 1
1 787 . 9 1 1 A 75 75 VAL HA H 75 4.951 4.603 0.348 1
1 795 . 9 1 1 A 75 75 VAL C C 75 173.554 174.526 -0.972 1
1 796 . 9 1 1 A 75 75 VAL CA C 75 61.004 61.843 -0.839 1
1 797 . 9 1 1 A 75 75 VAL CB C 75 34.541 33.010 1.531 1
1 800 . 9 1 1 A 75 75 VAL N N 75 130.973 128.418 2.555 1
1 801 . 9 1 1 A 76 76 ARG H H 76 9.023 9.161 -0.138 1
1 802 . 9 1 1 A 76 76 ARG HA H 76 5.218 5.143 0.075 1
1 809 . 9 1 1 A 76 76 ARG C C 76 175.034 174.394 0.640 1
1 810 . 9 1 1 A 76 76 ARG CA C 76 54.501 54.702 -0.201 1
1 811 . 9 1 1 A 76 76 ARG CB C 76 32.621 33.572 -0.951 1
1 814 . 9 1 1 A 76 76 ARG N N 76 126.030 128.039 -2.009 1
1 815 . 9 1 1 A 77 77 VAL H H 77 9.155 9.106 0.049 1
1 816 . 9 1 1 A 77 77 VAL HA H 77 4.165 4.561 -0.396 1
1 824 . 9 1 1 A 77 77 VAL C C 77 174.967 174.845 0.122 1
1 825 . 9 1 1 A 77 77 VAL CA C 77 61.626 61.344 0.282 1
1 826 . 9 1 1 A 77 77 VAL CB C 77 33.367 32.060 1.307 1
1 829 . 9 1 1 A 77 77 VAL N N 77 125.903 127.141 -1.238 1
1 830 . 9 1 1 A 78 78 THR H H 78 9.313 9.304 0.009 1
1 831 . 9 1 1 A 78 78 THR HA H 78 5.121 5.089 0.032 1
1 836 . 9 1 1 A 78 78 THR C C 78 173.388 173.077 0.311 1
1 837 . 9 1 1 A 78 78 THR CA C 78 61.286 61.300 -0.014 1
1 838 . 9 1 1 A 78 78 THR CB C 78 70.432 70.119 0.313 1
1 840 . 9 1 1 A 78 78 THR N N 78 126.547 123.820 2.727 1
1 841 . 9 1 1 A 79 79 CYS H H 79 8.807 8.629 0.178 1
1 842 . 9 1 1 A 79 79 CYS HA H 79 4.410 4.844 -0.434 1
1 845 . 9 1 1 A 79 79 CYS C C 79 172.501 173.497 -0.996 1
1 846 . 9 1 1 A 79 79 CYS CA C 79 58.141 57.178 0.963 1
1 847 . 9 1 1 A 79 79 CYS CB C 79 28.102 28.457 -0.355 1
1 848 . 9 1 1 A 79 79 CYS N N 79 125.160 125.491 -0.331 1
1 849 . 9 1 1 A 80 80 LEU H H 80 8.417 8.461 -0.044 1
1 850 . 9 1 1 A 80 80 LEU HA H 80 4.377 4.361 0.016 1
1 860 . 9 1 1 A 80 80 LEU C C 80 175.846 175.923 -0.077 1
1 861 . 9 1 1 A 80 80 LEU CA C 80 54.400 54.044 0.356 1
1 862 . 9 1 1 A 80 80 LEU CB C 80 41.520 41.072 0.448 1
1 866 . 9 1 1 A 80 80 LEU N N 80 123.584 126.274 -2.690 1
1 867 . 9 1 1 A 81 81 TYR H H 81 8.090 8.057 0.033 1
1 868 . 9 1 1 A 81 81 TYR HA H 81 5.085 4.630 0.455 1
1 875 . 9 1 1 A 81 81 TYR C C 81 175.341 176.115 -0.774 1
1 876 . 9 1 1 A 81 81 TYR CA C 81 55.561 57.256 -1.695 1
1 877 . 9 1 1 A 81 81 TYR CB C 81 36.792 38.797 -2.005 1
1 882 . 9 1 1 A 81 81 TYR N N 81 123.717 125.250 -1.533 1
1 883 . 9 1 1 A 82 82 PRO HA H 82 4.358 4.487 -0.129 1
1 890 . 9 1 1 A 82 82 PRO CA C 82 64.469 64.155 0.314 1
1 891 . 9 1 1 A 82 82 PRO CB C 82 31.395 31.791 -0.396 1
1 894 . 9 1 1 A 83 83 GLY HA2 H 83 4.164 3.768 0.396 1
1 895 . 9 1 1 A 83 83 GLY HA3 H 83 3.880 3.774 0.106 1
1 896 . 9 1 1 A 83 83 GLY C C 83 174.832 174.659 0.173 1
1 897 . 9 1 1 A 83 83 GLY CA C 83 45.437 46.871 -1.434 1
1 898 . 9 1 1 A 84 84 GLY H H 84 7.641 7.675 -0.034 1
1 899 . 9 1 1 A 84 84 GLY HA2 H 84 4.581 4.045 0.536 1
1 900 . 9 1 1 A 84 84 GLY HA3 H 84 3.788 4.045 -0.257 1
1 901 . 9 1 1 A 84 84 GLY C C 84 174.354 174.991 -0.637 1
1 902 . 9 1 1 A 84 84 GLY CA C 84 44.801 45.407 -0.606 1
1 903 . 9 1 1 A 84 84 GLY N N 84 107.816 105.558 2.258 1
1 904 . 9 1 1 A 85 85 GLY H H 85 8.303 7.914 0.389 1
1 905 . 9 1 1 A 85 85 GLY HA2 H 85 4.322 4.106 0.216 1
1 906 . 9 1 1 A 85 85 GLY HA3 H 85 4.113 4.152 -0.039 1
1 907 . 9 1 1 A 85 85 GLY C C 85 172.757 173.239 -0.482 1
1 908 . 9 1 1 A 85 85 GLY CA C 85 44.602 44.566 0.036 1
1 909 . 9 1 1 A 85 85 GLY N N 85 108.998 108.412 0.586 1
1 910 . 9 1 1 A 86 86 SER H H 86 8.361 8.683 -0.322 1
1 911 . 9 1 1 A 86 86 SER HA H 86 5.024 4.764 0.260 1
1 914 . 9 1 1 A 86 86 SER C C 86 173.484 172.439 1.045 1
1 915 . 9 1 1 A 86 86 SER CA C 86 57.738 57.587 0.151 1
1 916 . 9 1 1 A 86 86 SER CB C 86 66.693 65.860 0.833 1
1 917 . 9 1 1 A 86 86 SER N N 86 111.910 113.804 -1.894 1
1 918 . 9 1 1 A 87 87 SER H H 87 8.105 8.420 -0.315 1
1 919 . 9 1 1 A 87 87 SER HA H 87 4.827 5.267 -0.440 1
1 922 . 9 1 1 A 87 87 SER C C 87 173.377 173.163 0.214 1
1 923 . 9 1 1 A 87 87 SER CA C 87 57.737 57.679 0.058 1
1 924 . 9 1 1 A 87 87 SER CB C 87 65.849 65.128 0.721 1
1 925 . 9 1 1 A 87 87 SER N N 87 112.598 119.539 -6.941 1
1 926 . 9 1 1 A 88 88 THR H H 88 8.778 8.917 -0.139 1
1 927 . 9 1 1 A 88 88 THR HA H 88 5.439 4.980 0.459 1
1 932 . 9 1 1 A 88 88 THR C C 88 173.289 173.495 -0.206 1
1 933 . 9 1 1 A 88 88 THR CA C 88 62.083 61.762 0.321 1
1 934 . 9 1 1 A 88 88 THR CB C 88 72.001 70.484 1.517 1
1 936 . 9 1 1 A 88 88 THR N N 88 120.383 120.239 0.144 1
1 937 . 9 1 1 A 89 89 LEU H H 89 8.832 9.458 -0.626 1
1 938 . 9 1 1 A 89 89 LEU HA H 89 4.766 5.012 -0.246 1
1 948 . 9 1 1 A 89 89 LEU C C 89 175.440 176.185 -0.745 1
1 949 . 9 1 1 A 89 89 LEU CA C 89 53.671 53.391 0.280 1
1 950 . 9 1 1 A 89 89 LEU CB C 89 45.972 42.917 3.055 1
1 954 . 9 1 1 A 89 89 LEU N N 89 128.653 128.844 -0.191 1
1 955 . 9 1 1 A 90 90 THR H H 90 8.576 8.799 -0.223 1
1 956 . 9 1 1 A 90 90 THR HA H 90 5.622 5.106 0.516 1
1 961 . 9 1 1 A 90 90 THR C C 90 174.307 174.443 -0.136 1
1 962 . 9 1 1 A 90 90 THR CA C 90 60.799 60.615 0.184 1
1 963 . 9 1 1 A 90 90 THR CB C 90 71.589 70.181 1.408 1
1 965 . 9 1 1 A 90 90 THR N N 90 115.259 117.108 -1.849 1
1 966 . 9 1 1 A 91 91 GLY H H 91 9.071 8.953 0.118 1
1 967 . 9 1 1 A 91 91 GLY HA2 H 91 4.605 4.455 0.150 1
1 968 . 9 1 1 A 91 91 GLY HA3 H 91 3.960 4.580 -0.620 1
1 969 . 9 1 1 A 91 91 GLY C C 91 170.717 171.952 -1.235 1
1 970 . 9 1 1 A 91 91 GLY CA C 91 45.314 45.038 0.276 1
1 971 . 9 1 1 A 91 91 GLY N N 91 112.300 110.285 2.015 1
1 972 . 9 1 1 A 92 92 ARG H H 92 8.558 8.827 -0.269 1
1 973 . 9 1 1 A 92 92 ARG HA H 92 5.594 5.023 0.571 1
1 980 . 9 1 1 A 92 92 ARG C C 92 173.260 174.747 -1.487 1
1 981 . 9 1 1 A 92 92 ARG CA C 92 54.806 55.691 -0.885 1
1 982 . 9 1 1 A 92 92 ARG CB C 92 34.464 32.348 2.116 1
1 985 . 9 1 1 A 92 92 ARG N N 92 119.774 124.739 -4.965 1
1 986 . 9 1 1 A 93 93 VAL H H 93 8.430 8.647 -0.217 1
1 987 . 9 1 1 A 93 93 VAL HA H 93 4.081 4.468 -0.387 1
1 995 . 9 1 1 A 93 93 VAL C C 93 171.210 173.542 -2.332 1
1 996 . 9 1 1 A 93 93 VAL CA C 93 58.915 59.580 -0.665 1
1 997 . 9 1 1 A 93 93 VAL CB C 93 33.683 34.927 -1.244 1
1 1000 . 9 1 1 A 93 93 VAL N N 93 120.381 119.940 0.441 1
1 1001 . 9 1 1 A 94 94 THR H H 94 8.129 8.686 -0.557 1
1 1002 . 9 1 1 A 94 94 THR HA H 94 5.342 4.747 0.595 1
1 1007 . 9 1 1 A 94 94 THR C C 94 174.637 174.505 0.132 1
1 1008 . 9 1 1 A 94 94 THR CA C 94 60.799 61.790 -0.991 1
1 1009 . 9 1 1 A 94 94 THR CB C 94 70.768 68.647 2.121 1
1 1011 . 9 1 1 A 94 94 THR N N 94 124.645 123.262 1.383 1
1 1012 . 9 1 1 A 95 95 THR H H 95 8.906 8.332 0.574 1
1 1013 . 9 1 1 A 95 95 THR HA H 95 4.115 4.240 -0.125 1
1 1018 . 9 1 1 A 95 95 THR C C 95 175.367 174.249 1.118 1
1 1019 . 9 1 1 A 95 95 THR CA C 95 60.909 62.328 -1.419 1
1 1020 . 9 1 1 A 95 95 THR CB C 95 70.346 70.093 0.253 1
1 1022 . 9 1 1 A 95 95 THR N N 95 116.835 120.493 -3.658 1
1 1023 . 9 1 1 A 96 96 LYS H H 96 7.372 8.582 -1.210 1
1 1024 . 9 1 1 A 96 96 LYS HA H 96 4.189 4.427 -0.238 1
1 1033 . 9 1 1 A 96 96 LYS C C 96 176.308 177.183 -0.875 1
1 1034 . 9 1 1 A 96 96 LYS CA C 96 55.207 55.850 -0.643 1
1 1035 . 9 1 1 A 96 96 LYS CB C 96 34.095 33.718 0.377 1
1 1039 . 9 1 1 A 96 96 LYS N N 96 116.829 122.156 -5.327 1
1 1040 . 9 1 1 A 97 97 LYS H H 97 8.113 8.554 -0.441 1
1 1041 . 9 1 1 A 97 97 LYS HA H 97 4.356 4.404 -0.048 1
1 1050 . 9 1 1 A 97 97 LYS C C 97 176.106 176.629 -0.523 1
1 1051 . 9 1 1 A 97 97 LYS CA C 97 56.260 56.185 0.075 1
1 1052 . 9 1 1 A 97 97 LYS CB C 97 33.140 33.012 0.128 1
1 1056 . 9 1 1 A 97 97 LYS N N 97 119.233 121.271 -2.038 1
1 1057 . 9 1 1 A 98 98 ALA H H 98 8.484 8.654 -0.170 1
1 1058 . 9 1 1 A 98 98 ALA HA H 98 4.054 4.150 -0.096 1
1 1062 . 9 1 1 A 98 98 ALA C C 98 175.754 177.575 -1.821 1
1 1063 . 9 1 1 A 98 98 ALA CA C 98 50.511 50.622 -0.111 1
1 1064 . 9 1 1 A 98 98 ALA CB C 98 17.093 17.807 -0.714 1
1 1065 . 9 1 1 A 98 98 ALA N N 98 126.424 125.323 1.101 1
1 1066 . 9 1 1 A 99 99 PRO HA H 99 4.313 4.257 0.056 1
1 1073 . 9 1 1 A 99 99 PRO C C 99 176.506 176.890 -0.384 1
1 1074 . 9 1 1 A 99 99 PRO CA C 99 62.584 64.702 -2.118 1
1 1075 . 9 1 1 A 99 99 PRO CB C 99 32.024 31.732 0.292 1
1 1078 . 9 1 1 A 100 100 SER H H 100 8.377 7.921 0.456 1
1 1079 . 9 1 1 A 100 100 SER HA H 100 4.688 4.162 0.526 1
1 1082 . 9 1 1 A 100 100 SER CA C 100 56.296 58.485 -2.189 1
1 1083 . 9 1 1 A 100 100 SER CB C 100 63.276 61.282 1.994 1
1 1084 . 9 1 1 A 100 100 SER N N 100 117.700 111.373 6.327 1
1 1086 . 9 1 1 A 103 103 SER HA H 103 4.507 4.920 -0.413 1
1 1089 . 9 1 1 A 103 103 SER CA C 103 58.198 58.163 0.035 1
1 1090 . 9 1 1 A 103 103 SER CB C 103 63.882 64.285 -0.403 1
1 1091 . 9 1 1 A 104 104 GLY H H 104 8.233 8.418 -0.185 1
1 1092 . 9 1 1 A 104 104 GLY HA2 H 104 4.124 4.126 -0.002 1
1 1093 . 9 1 1 A 104 104 GLY HA3 H 104 4.124 4.127 -0.003 1
1 1094 . 9 1 1 A 104 104 GLY CA C 104 44.608 45.016 -0.408 1
1 1095 . 9 1 1 A 104 104 GLY N N 104 110.600 111.527 -0.927 1
1 1096 . 9 1 1 A 105 105 PRO HA H 105 4.460 4.542 -0.082 1
1 1103 . 9 1 1 A 105 105 PRO CA C 105 63.264 64.002 -0.738 1
1 1104 . 9 1 1 A 105 105 PRO CB C 105 32.094 31.540 0.554 1
1 1 . 10 1 1 A 6 6 SER HA H 6 4.470 4.479 -0.009 1
1 3 . 10 1 1 A 6 6 SER C C 6 175.031 174.690 0.341 1
1 4 . 10 1 1 A 6 6 SER CA C 6 58.687 60.697 -2.010 1
1 5 . 10 1 1 A 6 6 SER CB C 6 63.635 63.756 -0.121 1
1 6 . 10 1 1 A 7 7 GLY H H 7 8.390 7.361 1.029 1
1 7 . 10 1 1 A 7 7 GLY HA2 H 7 3.941 4.038 -0.097 1
1 8 . 10 1 1 A 7 7 GLY HA3 H 7 3.941 4.038 -0.097 1
1 9 . 10 1 1 A 7 7 GLY C C 7 173.892 171.744 2.148 1
1 10 . 10 1 1 A 7 7 GLY CA C 7 45.348 45.919 -0.571 1
1 11 . 10 1 1 A 7 7 GLY N N 7 110.659 104.376 6.283 1
1 12 . 10 1 1 A 8 8 LEU H H 8 8.017 8.739 -0.722 1
1 13 . 10 1 1 A 8 8 LEU HA H 8 4.347 5.109 -0.762 1
1 23 . 10 1 1 A 8 8 LEU C C 8 176.816 175.247 1.569 1
1 24 . 10 1 1 A 8 8 LEU CA C 8 54.760 53.614 1.146 1
1 25 . 10 1 1 A 8 8 LEU CB C 8 42.565 43.949 -1.384 1
1 29 . 10 1 1 A 8 8 LEU N N 8 121.546 125.939 -4.393 1
1 30 . 10 1 1 A 9 9 ALA H H 9 8.291 8.554 -0.263 1
1 31 . 10 1 1 A 9 9 ALA HA H 9 4.589 4.830 -0.241 1
1 35 . 10 1 1 A 9 9 ALA C C 9 174.928 174.260 0.668 1
1 36 . 10 1 1 A 9 9 ALA CA C 9 50.381 50.026 0.355 1
1 37 . 10 1 1 A 9 9 ALA CB C 9 18.293 22.343 -4.050 1
1 38 . 10 1 1 A 9 9 ALA N N 9 126.618 124.653 1.965 1
1 39 . 10 1 1 A 10 10 PRO HA H 10 4.708 4.651 0.057 1
1 45 . 10 1 1 A 10 10 PRO CA C 10 61.347 61.827 -0.480 1
1 46 . 10 1 1 A 10 10 PRO CB C 10 30.783 32.291 -1.508 1
1 49 . 10 1 1 A 11 11 PRO HA H 11 4.442 4.379 0.063 1
1 56 . 10 1 1 A 11 11 PRO C C 11 176.585 176.624 -0.039 1
1 57 . 10 1 1 A 11 11 PRO CA C 11 63.016 65.183 -2.167 1
1 58 . 10 1 1 A 11 11 PRO CB C 11 32.096 32.154 -0.058 1
1 61 . 10 1 1 A 12 12 ARG H H 12 8.348 7.687 0.661 1
1 62 . 10 1 1 A 12 12 ARG HA H 12 4.405 4.959 -0.554 1
1 69 . 10 1 1 A 12 12 ARG C C 12 175.204 174.048 1.156 1
1 70 . 10 1 1 A 12 12 ARG CA C 12 55.797 54.205 1.592 1
1 71 . 10 1 1 A 12 12 ARG CB C 12 32.052 34.343 -2.291 1
1 74 . 10 1 1 A 12 12 ARG N N 12 120.519 117.959 2.560 1
1 75 . 10 1 1 A 13 13 HIS H H 13 8.296 8.905 -0.609 1
1 76 . 10 1 1 A 13 13 HIS HA H 13 4.815 5.033 -0.218 1
1 81 . 10 1 1 A 13 13 HIS C C 13 174.544 174.675 -0.131 1
1 82 . 10 1 1 A 13 13 HIS CA C 13 55.783 54.825 0.958 1
1 83 . 10 1 1 A 13 13 HIS CB C 13 32.469 32.566 -0.097 1
1 86 . 10 1 1 A 13 13 HIS N N 13 118.569 121.184 -2.615 1
1 87 . 10 1 1 A 14 14 LEU H H 14 8.209 8.160 0.049 1
1 88 . 10 1 1 A 14 14 LEU HA H 14 4.655 4.369 0.286 1
1 98 . 10 1 1 A 14 14 LEU C C 14 175.977 175.882 0.095 1
1 99 . 10 1 1 A 14 14 LEU CA C 14 53.935 53.564 0.371 1
1 100 . 10 1 1 A 14 14 LEU CB C 14 44.113 42.903 1.210 1
1 104 . 10 1 1 A 14 14 LEU N N 14 120.625 125.961 -5.336 1
1 105 . 10 1 1 A 15 15 GLY H H 15 7.988 7.366 0.622 1
1 106 . 10 1 1 A 15 15 GLY HA2 H 15 4.008 3.140 0.868 1
1 107 . 10 1 1 A 15 15 GLY HA3 H 15 2.486 3.764 -1.278 1
1 108 . 10 1 1 A 15 15 GLY C C 15 170.056 170.774 -0.718 1
1 109 . 10 1 1 A 15 15 GLY CA C 15 43.188 44.349 -1.161 1
1 110 . 10 1 1 A 15 15 GLY N N 15 111.142 107.706 3.436 1
1 111 . 10 1 1 A 16 16 PHE H H 16 8.078 8.645 -0.567 1
1 112 . 10 1 1 A 16 16 PHE HA H 16 5.830 5.447 0.383 1
1 120 . 10 1 1 A 16 16 PHE C C 16 175.968 174.990 0.978 1
1 121 . 10 1 1 A 16 16 PHE CA C 16 56.048 57.089 -1.041 1
1 122 . 10 1 1 A 16 16 PHE CB C 16 43.353 41.352 2.001 1
1 128 . 10 1 1 A 16 16 PHE N N 16 114.388 123.488 -9.100 1
1 129 . 10 1 1 A 17 17 SER H H 17 9.811 8.815 0.996 1
1 130 . 10 1 1 A 17 17 SER HA H 17 4.883 5.032 -0.149 1
1 133 . 10 1 1 A 17 17 SER C C 17 171.638 172.617 -0.979 1
1 134 . 10 1 1 A 17 17 SER CA C 17 57.073 56.566 0.507 1
1 135 . 10 1 1 A 17 17 SER CB C 17 66.893 66.734 0.159 1
1 136 . 10 1 1 A 17 17 SER N N 17 118.688 116.674 2.014 1
1 137 . 10 1 1 A 18 18 ASP H H 18 9.001 8.756 0.245 1
1 138 . 10 1 1 A 18 18 ASP HA H 18 4.171 4.122 0.049 1
1 141 . 10 1 1 A 18 18 ASP C C 18 174.520 174.917 -0.397 1
1 142 . 10 1 1 A 18 18 ASP CA C 18 55.333 55.105 0.228 1
1 143 . 10 1 1 A 18 18 ASP CB C 18 40.075 39.322 0.753 1
1 144 . 10 1 1 A 18 18 ASP N N 18 116.878 121.168 -4.290 1
1 145 . 10 1 1 A 19 19 VAL H H 19 8.202 7.850 0.352 1
1 146 . 10 1 1 A 19 19 VAL HA H 19 4.169 4.072 0.097 1
1 154 . 10 1 1 A 19 19 VAL C C 19 176.641 174.733 1.908 1
1 155 . 10 1 1 A 19 19 VAL CA C 19 63.962 62.890 1.072 1
1 156 . 10 1 1 A 19 19 VAL CB C 19 31.236 32.462 -1.226 1
1 159 . 10 1 1 A 19 19 VAL N N 19 117.253 119.399 -2.146 1
1 160 . 10 1 1 A 20 20 SER H H 20 9.066 8.913 0.153 1
1 161 . 10 1 1 A 20 20 SER HA H 20 5.061 4.869 0.192 1
1 164 . 10 1 1 A 20 20 SER C C 20 174.081 175.030 -0.949 1
1 165 . 10 1 1 A 20 20 SER CA C 20 55.582 57.149 -1.567 1
1 166 . 10 1 1 A 20 20 SER CB C 20 65.090 66.475 -1.385 1
1 167 . 10 1 1 A 20 20 SER N N 20 126.686 125.973 0.713 1
1 168 . 10 1 1 A 21 21 HIS H H 21 8.635 8.529 0.106 1
1 169 . 10 1 1 A 21 21 HIS HA H 21 4.895 4.791 0.104 1
1 174 . 10 1 1 A 21 21 HIS C C 21 175.242 175.377 -0.135 1
1 175 . 10 1 1 A 21 21 HIS CA C 21 56.934 56.893 0.041 1
1 176 . 10 1 1 A 21 21 HIS CB C 21 30.651 29.803 0.848 1
1 179 . 10 1 1 A 21 21 HIS N N 21 117.241 120.935 -3.694 1
1 180 . 10 1 1 A 22 22 ASP H H 22 7.400 7.530 -0.130 1
1 181 . 10 1 1 A 22 22 ASP HA H 22 4.803 5.047 -0.244 1
1 184 . 10 1 1 A 22 22 ASP C C 22 176.754 174.593 2.161 1
1 185 . 10 1 1 A 22 22 ASP CA C 22 52.316 53.929 -1.613 1
1 186 . 10 1 1 A 22 22 ASP CB C 22 41.697 42.390 -0.693 1
1 187 . 10 1 1 A 22 22 ASP N N 22 115.766 118.394 -2.628 1
1 188 . 10 1 1 A 23 23 ALA H H 23 7.379 7.454 -0.075 1
1 189 . 10 1 1 A 23 23 ALA HA H 23 4.753 4.432 0.321 1
1 193 . 10 1 1 A 23 23 ALA C C 23 174.757 175.085 -0.328 1
1 194 . 10 1 1 A 23 23 ALA CA C 23 51.613 51.589 0.024 1
1 195 . 10 1 1 A 23 23 ALA CB C 23 22.882 22.420 0.462 1
1 196 . 10 1 1 A 23 23 ALA N N 23 122.521 118.967 3.554 1
1 197 . 10 1 1 A 24 24 ALA H H 24 7.745 8.003 -0.258 1
1 198 . 10 1 1 A 24 24 ALA HA H 24 4.593 4.846 -0.253 1
1 202 . 10 1 1 A 24 24 ALA C C 24 173.662 175.391 -1.729 1
1 203 . 10 1 1 A 24 24 ALA CA C 24 52.233 51.892 0.341 1
1 204 . 10 1 1 A 24 24 ALA CB C 24 22.894 22.080 0.814 1
1 205 . 10 1 1 A 24 24 ALA N N 24 115.485 120.273 -4.788 1
1 206 . 10 1 1 A 25 25 ARG H H 25 8.690 8.357 0.333 1
1 207 . 10 1 1 A 25 25 ARG HA H 25 5.209 4.844 0.365 1
1 214 . 10 1 1 A 25 25 ARG C C 25 174.777 174.912 -0.135 1
1 215 . 10 1 1 A 25 25 ARG CA C 25 55.161 55.437 -0.276 1
1 216 . 10 1 1 A 25 25 ARG CB C 25 32.329 31.589 0.740 1
1 219 . 10 1 1 A 25 25 ARG N N 25 122.853 124.162 -1.309 1
1 220 . 10 1 1 A 26 26 VAL H H 26 8.865 8.812 0.053 1
1 221 . 10 1 1 A 26 26 VAL HA H 26 5.120 4.765 0.355 1
1 229 . 10 1 1 A 26 26 VAL C C 26 172.428 174.748 -2.320 1
1 230 . 10 1 1 A 26 26 VAL CA C 26 57.420 60.354 -2.934 1
1 231 . 10 1 1 A 26 26 VAL CB C 26 34.734 34.567 0.167 1
1 234 . 10 1 1 A 26 26 VAL N N 26 125.534 125.665 -0.131 1
1 235 . 10 1 1 A 27 27 PHE H H 27 8.520 8.715 -0.195 1
1 236 . 10 1 1 A 27 27 PHE HA H 27 5.039 5.228 -0.189 1
1 244 . 10 1 1 A 27 27 PHE C C 27 172.979 173.131 -0.152 1
1 245 . 10 1 1 A 27 27 PHE CA C 27 56.293 54.682 1.611 1
1 246 . 10 1 1 A 27 27 PHE CB C 27 42.190 42.252 -0.062 1
1 252 . 10 1 1 A 27 27 PHE N N 27 123.552 123.765 -0.213 1
1 253 . 10 1 1 A 28 28 TRP H H 28 7.813 7.974 -0.161 1
1 254 . 10 1 1 A 28 28 TRP HA H 28 5.058 5.436 -0.378 1
1 263 . 10 1 1 A 28 28 TRP C C 28 174.131 175.881 -1.750 1
1 264 . 10 1 1 A 28 28 TRP CA C 28 55.730 54.644 1.086 1
1 265 . 10 1 1 A 28 28 TRP CB C 28 30.997 32.078 -1.081 1
1 271 . 10 1 1 A 28 28 TRP N N 28 116.968 118.458 -1.490 1
1 273 . 10 1 1 A 29 29 GLU H H 29 8.362 9.081 -0.719 1
1 274 . 10 1 1 A 29 29 GLU HA H 29 4.356 4.499 -0.143 1
1 279 . 10 1 1 A 29 29 GLU C C 29 177.125 176.697 0.428 1
1 280 . 10 1 1 A 29 29 GLU CA C 29 55.820 56.364 -0.544 1
1 281 . 10 1 1 A 29 29 GLU CB C 29 31.085 30.148 0.937 1
1 283 . 10 1 1 A 29 29 GLU N N 29 119.239 118.242 0.997 1
1 284 . 10 1 1 A 30 30 GLY H H 30 8.729 8.162 0.567 1
1 285 . 10 1 1 A 30 30 GLY HA2 H 30 4.051 4.213 -0.162 1
1 286 . 10 1 1 A 30 30 GLY HA3 H 30 3.781 4.410 -0.629 1
1 287 . 10 1 1 A 30 30 GLY C C 30 173.621 172.862 0.759 1
1 288 . 10 1 1 A 30 30 GLY CA C 30 45.559 44.641 0.918 1
1 289 . 10 1 1 A 30 30 GLY N N 30 110.979 107.890 3.089 1
1 290 . 10 1 1 A 31 31 ALA H H 31 8.747 8.025 0.722 1
1 291 . 10 1 1 A 31 31 ALA HA H 31 4.577 5.032 -0.455 1
1 295 . 10 1 1 A 31 31 ALA C C 31 177.064 177.385 -0.321 1
1 296 . 10 1 1 A 31 31 ALA CA C 31 50.416 50.049 0.367 1
1 297 . 10 1 1 A 31 31 ALA CB C 31 19.221 22.199 -2.978 1
1 298 . 10 1 1 A 31 31 ALA N N 31 126.357 121.239 5.118 1
1 299 . 10 1 1 A 32 32 PRO HA H 32 4.630 4.474 0.156 1
1 306 . 10 1 1 A 32 32 PRO C C 32 175.001 175.234 -0.233 1
1 307 . 10 1 1 A 32 32 PRO CA C 32 63.368 63.951 -0.583 1
1 308 . 10 1 1 A 32 32 PRO CB C 32 30.738 31.394 -0.656 1
1 311 . 10 1 1 A 33 33 ARG H H 33 7.418 7.417 0.001 1
1 312 . 10 1 1 A 33 33 ARG HA H 33 4.746 4.750 -0.004 1
1 319 . 10 1 1 A 33 33 ARG C C 33 172.695 173.312 -0.617 1
1 320 . 10 1 1 A 33 33 ARG CA C 33 53.205 53.917 -0.712 1
1 321 . 10 1 1 A 33 33 ARG CB C 33 30.414 32.401 -1.987 1
1 324 . 10 1 1 A 33 33 ARG N N 33 117.994 113.799 4.195 1
1 325 . 10 1 1 A 34 34 PRO HA H 34 4.273 4.751 -0.478 1
1 332 . 10 1 1 A 34 34 PRO C C 34 175.342 175.414 -0.072 1
1 333 . 10 1 1 A 34 34 PRO CA C 34 64.037 62.580 1.457 1
1 334 . 10 1 1 A 34 34 PRO CB C 34 32.581 32.522 0.059 1
1 337 . 10 1 1 A 35 35 VAL H H 35 8.264 8.591 -0.327 1
1 338 . 10 1 1 A 35 35 VAL HA H 35 4.237 4.982 -0.745 1
1 346 . 10 1 1 A 35 35 VAL C C 35 175.771 176.449 -0.678 1
1 347 . 10 1 1 A 35 35 VAL CA C 35 61.890 59.609 2.281 1
1 348 . 10 1 1 A 35 35 VAL CB C 35 35.092 35.141 -0.049 1
1 351 . 10 1 1 A 35 35 VAL N N 35 122.377 122.078 0.299 1
1 352 . 10 1 1 A 36 36 ARG H H 36 9.278 8.394 0.884 1
1 353 . 10 1 1 A 36 36 ARG HA H 36 4.426 4.577 -0.151 1
1 360 . 10 1 1 A 36 36 ARG C C 36 175.620 176.089 -0.469 1
1 361 . 10 1 1 A 36 36 ARG CA C 36 57.672 56.810 0.862 1
1 362 . 10 1 1 A 36 36 ARG CB C 36 31.595 31.780 -0.185 1
1 365 . 10 1 1 A 36 36 ARG N N 36 125.821 124.475 1.346 1
1 366 . 10 1 1 A 37 37 LEU H H 37 7.525 7.065 0.460 1
1 367 . 10 1 1 A 37 37 LEU HA H 37 4.403 4.734 -0.331 1
1 377 . 10 1 1 A 37 37 LEU C C 37 172.405 174.006 -1.601 1
1 378 . 10 1 1 A 37 37 LEU CA C 37 54.913 54.417 0.496 1
1 379 . 10 1 1 A 37 37 LEU CB C 37 46.166 45.789 0.377 1
1 383 . 10 1 1 A 37 37 LEU N N 37 119.761 119.439 0.322 1
1 384 . 10 1 1 A 38 38 VAL H H 38 8.513 8.951 -0.438 1
1 385 . 10 1 1 A 38 38 VAL HA H 38 4.790 4.792 -0.002 1
1 393 . 10 1 1 A 38 38 VAL C C 38 174.595 174.102 0.493 1
1 394 . 10 1 1 A 38 38 VAL CA C 38 60.992 61.101 -0.109 1
1 395 . 10 1 1 A 38 38 VAL CB C 38 33.979 34.505 -0.526 1
1 398 . 10 1 1 A 38 38 VAL N N 38 123.604 125.550 -1.946 1
1 399 . 10 1 1 A 39 39 ARG H H 39 9.025 9.314 -0.289 1
1 400 . 10 1 1 A 39 39 ARG HA H 39 4.839 4.961 -0.122 1
1 407 . 10 1 1 A 39 39 ARG C C 39 174.581 174.515 0.066 1
1 408 . 10 1 1 A 39 39 ARG CA C 39 55.150 54.753 0.397 1
1 409 . 10 1 1 A 39 39 ARG CB C 39 32.919 32.014 0.905 1
1 412 . 10 1 1 A 39 39 ARG N N 39 126.442 129.387 -2.945 1
1 413 . 10 1 1 A 40 40 VAL H H 40 9.059 8.748 0.311 1
1 414 . 10 1 1 A 40 40 VAL HA H 40 5.177 4.836 0.341 1
1 422 . 10 1 1 A 40 40 VAL C C 40 175.508 175.495 0.013 1
1 423 . 10 1 1 A 40 40 VAL CA C 40 60.513 61.752 -1.239 1
1 424 . 10 1 1 A 40 40 VAL CB C 40 33.390 32.860 0.530 1
1 427 . 10 1 1 A 40 40 VAL N N 40 127.219 127.645 -0.426 1
1 428 . 10 1 1 A 41 41 THR H H 41 9.244 9.052 0.192 1
1 429 . 10 1 1 A 41 41 THR HA H 41 5.056 5.115 -0.059 1
1 434 . 10 1 1 A 41 41 THR C C 41 173.323 173.293 0.030 1
1 435 . 10 1 1 A 41 41 THR CA C 41 59.618 60.576 -0.958 1
1 436 . 10 1 1 A 41 41 THR CB C 41 71.668 71.290 0.378 1
1 438 . 10 1 1 A 41 41 THR N N 41 117.579 117.691 -0.112 1
1 439 . 10 1 1 A 42 42 TYR H H 42 7.955 8.389 -0.434 1
1 440 . 10 1 1 A 42 42 TYR HA H 42 5.825 6.042 -0.217 1
1 447 . 10 1 1 A 42 42 TYR C C 42 173.794 173.527 0.267 1
1 448 . 10 1 1 A 42 42 TYR CA C 42 54.314 55.140 -0.826 1
1 449 . 10 1 1 A 42 42 TYR CB C 42 39.788 42.306 -2.518 1
1 454 . 10 1 1 A 42 42 TYR N N 42 117.304 119.384 -2.080 1
1 455 . 10 1 1 A 43 43 VAL H H 43 8.547 8.696 -0.149 1
1 456 . 10 1 1 A 43 43 VAL HA H 43 5.069 4.810 0.259 1
1 464 . 10 1 1 A 43 43 VAL C C 43 174.912 173.503 1.409 1
1 465 . 10 1 1 A 43 43 VAL CA C 43 60.142 60.280 -0.138 1
1 466 . 10 1 1 A 43 43 VAL CB C 43 35.329 35.730 -0.401 1
1 469 . 10 1 1 A 43 43 VAL N N 43 119.038 120.693 -1.655 1
1 470 . 10 1 1 A 44 44 SER H H 44 9.123 8.004 1.119 1
1 471 . 10 1 1 A 44 44 SER HA H 44 4.307 3.690 0.617 1
1 474 . 10 1 1 A 44 44 SER C C 44 176.777 174.399 2.378 1
1 475 . 10 1 1 A 44 44 SER CA C 44 57.838 56.777 1.061 1
1 476 . 10 1 1 A 44 44 SER CB C 44 64.064 62.372 1.692 1
1 477 . 10 1 1 A 44 44 SER N N 44 124.942 121.152 3.790 1
1 478 . 10 1 1 A 45 45 SER H H 45 8.562 8.459 0.103 1
1 479 . 10 1 1 A 45 45 SER HA H 45 4.175 3.987 0.188 1
1 482 . 10 1 1 A 45 45 SER C C 45 175.366 173.559 1.807 1
1 483 . 10 1 1 A 45 45 SER CA C 45 61.239 58.988 2.251 1
1 484 . 10 1 1 A 45 45 SER CB C 45 62.976 61.699 1.277 1
1 485 . 10 1 1 A 45 45 SER N N 45 119.157 115.632 3.525 1
1 486 . 10 1 1 A 46 46 GLU H H 46 8.321 8.672 -0.351 1
1 487 . 10 1 1 A 46 46 GLU HA H 46 4.442 3.985 0.457 1
1 492 . 10 1 1 A 46 46 GLU C C 46 177.463 175.700 1.763 1
1 493 . 10 1 1 A 46 46 GLU CA C 46 56.409 57.134 -0.725 1
1 494 . 10 1 1 A 46 46 GLU CB C 46 29.633 27.455 2.178 1
1 496 . 10 1 1 A 46 46 GLU N N 46 119.112 117.981 1.131 1
1 497 . 10 1 1 A 47 47 GLY H H 47 8.129 7.683 0.446 1
1 498 . 10 1 1 A 47 47 GLY HA2 H 47 4.150 4.073 0.077 1
1 499 . 10 1 1 A 47 47 GLY HA3 H 47 3.646 4.077 -0.431 1
1 500 . 10 1 1 A 47 47 GLY C C 47 175.047 173.245 1.802 1
1 501 . 10 1 1 A 47 47 GLY CA C 47 45.400 45.562 -0.162 1
1 502 . 10 1 1 A 47 47 GLY N N 47 109.344 107.397 1.947 1
1 503 . 10 1 1 A 48 48 GLY H H 48 7.927 8.379 -0.452 1
1 504 . 10 1 1 A 48 48 GLY HA2 H 48 3.982 4.170 -0.188 1
1 505 . 10 1 1 A 48 48 GLY HA3 H 48 3.855 4.194 -0.339 1
1 506 . 10 1 1 A 48 48 GLY C C 48 173.614 172.506 1.108 1
1 507 . 10 1 1 A 48 48 GLY CA C 48 46.073 45.274 0.799 1
1 508 . 10 1 1 A 48 48 GLY N N 48 107.840 110.973 -3.133 1
1 509 . 10 1 1 A 49 49 HIS H H 49 7.985 8.029 -0.044 1
1 510 . 10 1 1 A 49 49 HIS HA H 49 4.951 4.712 0.239 1
1 515 . 10 1 1 A 49 49 HIS C C 49 173.760 174.143 -0.383 1
1 516 . 10 1 1 A 49 49 HIS CA C 49 56.608 57.011 -0.403 1
1 517 . 10 1 1 A 49 49 HIS CB C 49 33.119 30.456 2.663 1
1 520 . 10 1 1 A 49 49 HIS N N 49 120.577 122.175 -1.598 1
1 521 . 10 1 1 A 50 50 SER H H 50 8.118 8.838 -0.720 1
1 522 . 10 1 1 A 50 50 SER HA H 50 5.184 5.147 0.037 1
1 525 . 10 1 1 A 50 50 SER C C 50 172.582 173.560 -0.978 1
1 526 . 10 1 1 A 50 50 SER CA C 50 56.463 56.325 0.138 1
1 527 . 10 1 1 A 50 50 SER CB C 50 66.423 66.271 0.152 1
1 528 . 10 1 1 A 50 50 SER N N 50 120.879 120.143 0.736 1
1 529 . 10 1 1 A 51 51 GLY H H 51 7.900 7.806 0.094 1
1 530 . 10 1 1 A 51 51 GLY HA2 H 51 4.027 3.720 0.307 1
1 531 . 10 1 1 A 51 51 GLY HA3 H 51 3.236 4.245 -1.009 1
1 532 . 10 1 1 A 51 51 GLY C C 51 171.073 172.050 -0.977 1
1 533 . 10 1 1 A 51 51 GLY CA C 51 44.696 44.577 0.119 1
1 534 . 10 1 1 A 51 51 GLY N N 51 108.215 107.837 0.378 1
1 535 . 10 1 1 A 52 52 GLN H H 52 8.256 8.606 -0.350 1
1 536 . 10 1 1 A 52 52 GLN HA H 52 5.308 5.215 0.093 1
1 543 . 10 1 1 A 52 52 GLN C C 52 174.217 173.593 0.624 1
1 544 . 10 1 1 A 52 52 GLN CA C 52 54.516 55.666 -1.150 1
1 545 . 10 1 1 A 52 52 GLN CB C 52 32.541 32.166 0.375 1
1 547 . 10 1 1 A 52 52 GLN N N 52 115.667 119.244 -3.577 1
1 549 . 10 1 1 A 53 53 THR H H 53 9.298 9.117 0.181 1
1 550 . 10 1 1 A 53 53 THR HA H 53 4.753 5.220 -0.467 1
1 555 . 10 1 1 A 53 53 THR C C 53 171.720 172.833 -1.113 1
1 556 . 10 1 1 A 53 53 THR CA C 53 60.869 59.691 1.178 1
1 557 . 10 1 1 A 53 53 THR CB C 53 70.580 72.330 -1.750 1
1 559 . 10 1 1 A 53 53 THR N N 53 117.486 121.072 -3.586 1
1 560 . 10 1 1 A 54 54 GLU H H 54 8.404 8.575 -0.171 1
1 561 . 10 1 1 A 54 54 GLU HA H 54 5.378 5.316 0.062 1
1 566 . 10 1 1 A 54 54 GLU C C 54 174.705 175.705 -1.000 1
1 567 . 10 1 1 A 54 54 GLU CA C 54 54.693 54.857 -0.164 1
1 568 . 10 1 1 A 54 54 GLU CB C 54 33.434 33.356 0.078 1
1 570 . 10 1 1 A 54 54 GLU N N 54 123.651 124.196 -0.545 1
1 571 . 10 1 1 A 55 55 ALA H H 55 9.471 8.834 0.637 1
1 572 . 10 1 1 A 55 55 ALA HA H 55 5.056 4.940 0.116 1
1 576 . 10 1 1 A 55 55 ALA C C 55 172.938 173.936 -0.998 1
1 577 . 10 1 1 A 55 55 ALA CA C 55 49.216 49.923 -0.707 1
1 578 . 10 1 1 A 55 55 ALA CB C 55 20.410 21.910 -1.500 1
1 579 . 10 1 1 A 55 55 ALA N N 55 126.815 123.204 3.611 1
1 580 . 10 1 1 A 56 56 PRO HA H 56 4.630 4.642 -0.012 1
1 587 . 10 1 1 A 56 56 PRO C C 56 176.935 178.199 -1.264 1
1 588 . 10 1 1 A 56 56 PRO CA C 56 62.303 62.817 -0.514 1
1 589 . 10 1 1 A 56 56 PRO CB C 56 32.745 32.689 0.056 1
1 592 . 10 1 1 A 57 57 GLY H H 57 8.240 8.714 -0.474 1
1 593 . 10 1 1 A 57 57 GLY HA2 H 57 3.839 3.885 -0.046 1
1 594 . 10 1 1 A 57 57 GLY HA3 H 57 3.547 3.897 -0.350 1
1 595 . 10 1 1 A 57 57 GLY C C 57 173.839 175.101 -1.262 1
1 596 . 10 1 1 A 57 57 GLY CA C 57 47.092 46.656 0.436 1
1 597 . 10 1 1 A 57 57 GLY N N 57 104.338 110.721 -6.383 1
1 598 . 10 1 1 A 58 58 ASN H H 58 7.935 7.964 -0.029 1
1 599 . 10 1 1 A 58 58 ASN HA H 58 4.778 4.794 -0.016 1
1 604 . 10 1 1 A 58 58 ASN C C 58 175.578 176.109 -0.531 1
1 605 . 10 1 1 A 58 58 ASN CA C 58 52.176 54.838 -2.662 1
1 606 . 10 1 1 A 58 58 ASN CB C 58 37.384 39.116 -1.732 1
1 607 . 10 1 1 A 58 58 ASN N N 58 114.653 117.032 -2.379 1
1 609 . 10 1 1 A 59 59 ALA H H 59 8.041 7.476 0.565 1
1 610 . 10 1 1 A 59 59 ALA HA H 59 4.360 4.144 0.216 1
1 614 . 10 1 1 A 59 59 ALA C C 59 177.738 178.180 -0.442 1
1 615 . 10 1 1 A 59 59 ALA CA C 59 52.792 53.065 -0.273 1
1 616 . 10 1 1 A 59 59 ALA CB C 59 20.834 19.320 1.514 1
1 617 . 10 1 1 A 59 59 ALA N N 59 124.183 121.576 2.607 1
1 618 . 10 1 1 A 60 60 THR H H 60 8.274 8.704 -0.430 1
1 619 . 10 1 1 A 60 60 THR HA H 60 3.299 4.129 -0.830 1
1 624 . 10 1 1 A 60 60 THR C C 60 171.681 173.010 -1.329 1
1 625 . 10 1 1 A 60 60 THR CA C 60 59.732 60.633 -0.901 1
1 626 . 10 1 1 A 60 60 THR CB C 60 69.010 68.606 0.404 1
1 628 . 10 1 1 A 60 60 THR N N 60 108.095 113.637 -5.542 1
1 629 . 10 1 1 A 61 61 SER H H 61 6.728 7.360 -0.632 1
1 630 . 10 1 1 A 61 61 SER HA H 61 4.584 4.200 0.384 1
1 633 . 10 1 1 A 61 61 SER C C 61 172.948 172.337 0.611 1
1 634 . 10 1 1 A 61 61 SER CA C 61 57.403 57.327 0.076 1
1 635 . 10 1 1 A 61 61 SER CB C 61 65.767 65.196 0.571 1
1 636 . 10 1 1 A 61 61 SER N N 61 110.991 113.273 -2.282 1
1 637 . 10 1 1 A 62 62 ALA H H 62 8.954 8.229 0.725 1
1 638 . 10 1 1 A 62 62 ALA HA H 62 4.581 5.179 -0.598 1
1 642 . 10 1 1 A 62 62 ALA C C 62 174.741 175.931 -1.190 1
1 643 . 10 1 1 A 62 62 ALA CA C 62 51.949 50.928 1.021 1
1 644 . 10 1 1 A 62 62 ALA CB C 62 21.659 23.812 -2.153 1
1 645 . 10 1 1 A 62 62 ALA N N 62 119.306 122.938 -3.632 1
1 646 . 10 1 1 A 63 63 MET H H 63 8.599 8.613 -0.014 1
1 647 . 10 1 1 A 63 63 MET HA H 63 4.993 5.306 -0.313 1
1 655 . 10 1 1 A 63 63 MET C C 63 175.386 174.985 0.401 1
1 656 . 10 1 1 A 63 63 MET CA C 63 53.760 54.101 -0.341 1
1 657 . 10 1 1 A 63 63 MET CB C 63 31.842 35.105 -3.263 1
1 660 . 10 1 1 A 63 63 MET N N 63 120.537 118.683 1.854 1
1 661 . 10 1 1 A 64 64 LEU H H 64 9.244 8.629 0.615 1
1 662 . 10 1 1 A 64 64 LEU HA H 64 4.494 4.938 -0.444 1
1 672 . 10 1 1 A 64 64 LEU C C 64 175.976 175.504 0.472 1
1 673 . 10 1 1 A 64 64 LEU CA C 64 52.988 53.084 -0.096 1
1 674 . 10 1 1 A 64 64 LEU CB C 64 42.785 46.121 -3.336 1
1 678 . 10 1 1 A 64 64 LEU N N 64 124.823 121.381 3.442 1
1 679 . 10 1 1 A 65 65 GLY H H 65 7.516 8.089 -0.573 1
1 680 . 10 1 1 A 65 65 GLY HA2 H 65 4.505 4.025 0.480 1
1 681 . 10 1 1 A 65 65 GLY HA3 H 65 3.237 4.064 -0.827 1
1 682 . 10 1 1 A 65 65 GLY C C 65 170.608 172.791 -2.183 1
1 683 . 10 1 1 A 65 65 GLY CA C 65 44.505 44.109 0.396 1
1 684 . 10 1 1 A 65 65 GLY N N 65 106.855 108.386 -1.531 1
1 685 . 10 1 1 A 66 66 PRO HA H 66 4.626 4.795 -0.169 1
1 692 . 10 1 1 A 66 66 PRO C C 66 176.262 176.166 0.096 1
1 693 . 10 1 1 A 66 66 PRO CA C 66 62.542 62.845 -0.303 1
1 694 . 10 1 1 A 66 66 PRO CB C 66 34.107 32.259 1.848 1
1 697 . 10 1 1 A 67 67 LEU H H 67 8.487 8.425 0.062 1
1 698 . 10 1 1 A 67 67 LEU HA H 67 4.586 4.817 -0.231 1
1 708 . 10 1 1 A 67 67 LEU C C 67 176.158 175.519 0.639 1
1 709 . 10 1 1 A 67 67 LEU CA C 67 52.335 53.009 -0.674 1
1 710 . 10 1 1 A 67 67 LEU CB C 67 43.440 43.806 -0.366 1
1 714 . 10 1 1 A 67 67 LEU N N 67 124.582 122.654 1.928 1
1 715 . 10 1 1 A 68 68 SER H H 68 8.958 8.404 0.554 1
1 716 . 10 1 1 A 68 68 SER HA H 68 4.529 4.525 0.004 1
1 719 . 10 1 1 A 68 68 SER C C 68 174.360 174.047 0.313 1
1 720 . 10 1 1 A 68 68 SER CA C 68 58.649 57.280 1.369 1
1 721 . 10 1 1 A 68 68 SER CB C 68 64.239 64.759 -0.520 1
1 722 . 10 1 1 A 68 68 SER N N 68 117.670 117.653 0.017 1
1 723 . 10 1 1 A 69 69 SER H H 69 8.511 8.719 -0.208 1
1 724 . 10 1 1 A 69 69 SER HA H 69 5.085 5.207 -0.122 1
1 727 . 10 1 1 A 69 69 SER C C 69 175.660 173.947 1.713 1
1 728 . 10 1 1 A 69 69 SER CA C 69 59.071 56.148 2.923 1
1 729 . 10 1 1 A 69 69 SER CB C 69 64.439 66.049 -1.610 1
1 730 . 10 1 1 A 69 69 SER N N 69 119.760 117.247 2.513 1
1 731 . 10 1 1 A 70 70 SER H H 70 7.974 8.795 -0.821 1
1 732 . 10 1 1 A 70 70 SER HA H 70 3.799 4.228 -0.429 1
1 735 . 10 1 1 A 70 70 SER C C 70 173.645 173.039 0.606 1
1 736 . 10 1 1 A 70 70 SER CA C 70 58.453 59.218 -0.765 1
1 737 . 10 1 1 A 70 70 SER CB C 70 62.477 62.084 0.393 1
1 738 . 10 1 1 A 70 70 SER N N 70 121.170 116.506 4.664 1
1 739 . 10 1 1 A 71 71 THR H H 71 8.325 8.214 0.111 1
1 740 . 10 1 1 A 71 71 THR HA H 71 4.482 4.735 -0.253 1
1 745 . 10 1 1 A 71 71 THR C C 71 171.950 173.602 -1.652 1
1 746 . 10 1 1 A 71 71 THR CA C 71 62.453 61.790 0.663 1
1 747 . 10 1 1 A 71 71 THR CB C 71 72.120 71.348 0.772 1
1 749 . 10 1 1 A 71 71 THR N N 71 115.265 115.129 0.136 1
1 750 . 10 1 1 A 72 72 THR H H 72 8.963 8.856 0.107 1
1 751 . 10 1 1 A 72 72 THR HA H 72 5.044 4.695 0.349 1
1 756 . 10 1 1 A 72 72 THR C C 72 173.198 173.852 -0.654 1
1 757 . 10 1 1 A 72 72 THR CA C 72 62.216 62.394 -0.178 1
1 758 . 10 1 1 A 72 72 THR CB C 72 69.392 69.084 0.308 1
1 760 . 10 1 1 A 72 72 THR N N 72 124.221 122.641 1.580 1
1 761 . 10 1 1 A 73 73 TYR H H 73 9.711 8.631 1.080 1
1 762 . 10 1 1 A 73 73 TYR HA H 73 4.852 5.584 -0.732 1
1 767 . 10 1 1 A 73 73 TYR C C 73 175.854 175.037 0.817 1
1 768 . 10 1 1 A 73 73 TYR CA C 73 57.596 56.573 1.023 1
1 769 . 10 1 1 A 73 73 TYR CB C 73 41.377 40.462 0.915 1
1 774 . 10 1 1 A 73 73 TYR N N 73 126.553 126.563 -0.010 1
1 775 . 10 1 1 A 74 74 THR H H 74 8.981 9.106 -0.125 1
1 776 . 10 1 1 A 74 74 THR HA H 74 4.648 4.703 -0.055 1
1 781 . 10 1 1 A 74 74 THR C C 74 174.296 174.251 0.045 1
1 782 . 10 1 1 A 74 74 THR CA C 74 63.156 62.621 0.535 1
1 783 . 10 1 1 A 74 74 THR CB C 74 68.916 69.052 -0.136 1
1 785 . 10 1 1 A 74 74 THR N N 74 118.190 119.514 -1.324 1
1 786 . 10 1 1 A 75 75 VAL H H 75 9.376 9.198 0.178 1
1 787 . 10 1 1 A 75 75 VAL HA H 75 4.951 4.721 0.230 1
1 795 . 10 1 1 A 75 75 VAL C C 75 173.554 175.167 -1.613 1
1 796 . 10 1 1 A 75 75 VAL CA C 75 61.004 61.601 -0.597 1
1 797 . 10 1 1 A 75 75 VAL CB C 75 34.541 33.254 1.287 1
1 800 . 10 1 1 A 75 75 VAL N N 75 130.973 128.381 2.592 1
1 801 . 10 1 1 A 76 76 ARG H H 76 9.023 8.848 0.175 1
1 802 . 10 1 1 A 76 76 ARG HA H 76 5.218 5.373 -0.155 1
1 809 . 10 1 1 A 76 76 ARG C C 76 175.034 174.804 0.230 1
1 810 . 10 1 1 A 76 76 ARG CA C 76 54.501 54.529 -0.028 1
1 811 . 10 1 1 A 76 76 ARG CB C 76 32.621 32.596 0.025 1
1 814 . 10 1 1 A 76 76 ARG N N 76 126.030 124.880 1.150 1
1 815 . 10 1 1 A 77 77 VAL H H 77 9.155 9.279 -0.124 1
1 816 . 10 1 1 A 77 77 VAL HA H 77 4.165 4.371 -0.206 1
1 824 . 10 1 1 A 77 77 VAL C C 77 174.967 175.054 -0.087 1
1 825 . 10 1 1 A 77 77 VAL CA C 77 61.626 62.073 -0.447 1
1 826 . 10 1 1 A 77 77 VAL CB C 77 33.367 31.343 2.024 1
1 829 . 10 1 1 A 77 77 VAL N N 77 125.903 125.153 0.750 1
1 830 . 10 1 1 A 78 78 THR H H 78 9.313 8.772 0.541 1
1 831 . 10 1 1 A 78 78 THR HA H 78 5.121 5.000 0.121 1
1 836 . 10 1 1 A 78 78 THR C C 78 173.388 173.715 -0.327 1
1 837 . 10 1 1 A 78 78 THR CA C 78 61.286 61.877 -0.591 1
1 838 . 10 1 1 A 78 78 THR CB C 78 70.432 69.540 0.892 1
1 840 . 10 1 1 A 78 78 THR N N 78 126.547 123.718 2.829 1
1 841 . 10 1 1 A 79 79 CYS H H 79 8.807 8.161 0.646 1
1 842 . 10 1 1 A 79 79 CYS HA H 79 4.410 4.713 -0.303 1
1 845 . 10 1 1 A 79 79 CYS C C 79 172.501 173.571 -1.070 1
1 846 . 10 1 1 A 79 79 CYS CA C 79 58.141 57.018 1.123 1
1 847 . 10 1 1 A 79 79 CYS CB C 79 28.102 27.736 0.366 1
1 848 . 10 1 1 A 79 79 CYS N N 79 125.160 125.846 -0.686 1
1 849 . 10 1 1 A 80 80 LEU H H 80 8.417 8.514 -0.097 1
1 850 . 10 1 1 A 80 80 LEU HA H 80 4.377 4.334 0.043 1
1 860 . 10 1 1 A 80 80 LEU C C 80 175.846 175.852 -0.006 1
1 861 . 10 1 1 A 80 80 LEU CA C 80 54.400 54.417 -0.017 1
1 862 . 10 1 1 A 80 80 LEU CB C 80 41.520 41.023 0.497 1
1 866 . 10 1 1 A 80 80 LEU N N 80 123.584 126.244 -2.660 1
1 867 . 10 1 1 A 81 81 TYR H H 81 8.090 8.128 -0.038 1
1 868 . 10 1 1 A 81 81 TYR HA H 81 5.085 4.687 0.398 1
1 875 . 10 1 1 A 81 81 TYR C C 81 175.341 174.587 0.754 1
1 876 . 10 1 1 A 81 81 TYR CA C 81 55.561 56.777 -1.216 1
1 877 . 10 1 1 A 81 81 TYR CB C 81 36.792 38.384 -1.592 1
1 882 . 10 1 1 A 81 81 TYR N N 81 123.717 125.551 -1.834 1
1 883 . 10 1 1 A 82 82 PRO HA H 82 4.358 4.612 -0.254 1
1 890 . 10 1 1 A 82 82 PRO CA C 82 64.469 62.767 1.702 1
1 891 . 10 1 1 A 82 82 PRO CB C 82 31.395 30.168 1.227 1
1 894 . 10 1 1 A 83 83 GLY HA2 H 83 4.164 4.237 -0.073 1
1 895 . 10 1 1 A 83 83 GLY HA3 H 83 3.880 4.245 -0.365 1
1 896 . 10 1 1 A 83 83 GLY C C 83 174.832 172.536 2.296 1
1 897 . 10 1 1 A 83 83 GLY CA C 83 45.437 45.932 -0.495 1
1 898 . 10 1 1 A 84 84 GLY H H 84 7.641 8.564 -0.923 1
1 899 . 10 1 1 A 84 84 GLY HA2 H 84 4.581 4.188 0.393 1
1 900 . 10 1 1 A 84 84 GLY HA3 H 84 3.788 4.193 -0.405 1
1 901 . 10 1 1 A 84 84 GLY C C 84 174.354 173.232 1.122 1
1 902 . 10 1 1 A 84 84 GLY CA C 84 44.801 45.788 -0.987 1
1 903 . 10 1 1 A 84 84 GLY N N 84 107.816 112.426 -4.610 1
1 904 . 10 1 1 A 85 85 GLY H H 85 8.303 8.147 0.156 1
1 905 . 10 1 1 A 85 85 GLY HA2 H 85 4.322 4.249 0.073 1
1 906 . 10 1 1 A 85 85 GLY HA3 H 85 4.113 4.285 -0.172 1
1 907 . 10 1 1 A 85 85 GLY C C 85 172.757 171.494 1.263 1
1 908 . 10 1 1 A 85 85 GLY CA C 85 44.602 45.846 -1.244 1
1 909 . 10 1 1 A 85 85 GLY N N 85 108.998 110.302 -1.304 1
1 910 . 10 1 1 A 86 86 SER H H 86 8.361 8.592 -0.231 1
1 911 . 10 1 1 A 86 86 SER HA H 86 5.024 5.002 0.022 1
1 914 . 10 1 1 A 86 86 SER C C 86 173.484 172.072 1.412 1
1 915 . 10 1 1 A 86 86 SER CA C 86 57.738 57.527 0.211 1
1 916 . 10 1 1 A 86 86 SER CB C 86 66.693 66.376 0.317 1
1 917 . 10 1 1 A 86 86 SER N N 86 111.910 113.537 -1.627 1
1 918 . 10 1 1 A 87 87 SER H H 87 8.105 8.293 -0.188 1
1 919 . 10 1 1 A 87 87 SER HA H 87 4.827 5.146 -0.319 1
1 922 . 10 1 1 A 87 87 SER C C 87 173.377 173.634 -0.257 1
1 923 . 10 1 1 A 87 87 SER CA C 87 57.737 56.377 1.360 1
1 924 . 10 1 1 A 87 87 SER CB C 87 65.849 65.337 0.512 1
1 925 . 10 1 1 A 87 87 SER N N 87 112.598 118.611 -6.013 1
1 926 . 10 1 1 A 88 88 THR H H 88 8.778 8.780 -0.002 1
1 927 . 10 1 1 A 88 88 THR HA H 88 5.439 4.916 0.523 1
1 932 . 10 1 1 A 88 88 THR C C 88 173.289 172.916 0.373 1
1 933 . 10 1 1 A 88 88 THR CA C 88 62.083 61.577 0.506 1
1 934 . 10 1 1 A 88 88 THR CB C 88 72.001 71.188 0.813 1
1 936 . 10 1 1 A 88 88 THR N N 88 120.383 117.131 3.252 1
1 937 . 10 1 1 A 89 89 LEU H H 89 8.832 9.110 -0.278 1
1 938 . 10 1 1 A 89 89 LEU HA H 89 4.766 4.986 -0.220 1
1 948 . 10 1 1 A 89 89 LEU C C 89 175.440 176.251 -0.811 1
1 949 . 10 1 1 A 89 89 LEU CA C 89 53.671 53.598 0.073 1
1 950 . 10 1 1 A 89 89 LEU CB C 89 45.972 41.951 4.021 1
1 954 . 10 1 1 A 89 89 LEU N N 89 128.653 127.967 0.686 1
1 955 . 10 1 1 A 90 90 THR H H 90 8.576 8.741 -0.165 1
1 956 . 10 1 1 A 90 90 THR HA H 90 5.622 5.400 0.222 1
1 961 . 10 1 1 A 90 90 THR C C 90 174.307 174.499 -0.192 1
1 962 . 10 1 1 A 90 90 THR CA C 90 60.799 60.621 0.178 1
1 963 . 10 1 1 A 90 90 THR CB C 90 71.589 70.170 1.419 1
1 965 . 10 1 1 A 90 90 THR N N 90 115.259 117.067 -1.808 1
1 966 . 10 1 1 A 91 91 GLY H H 91 9.071 9.203 -0.132 1
1 967 . 10 1 1 A 91 91 GLY HA2 H 91 4.605 4.534 0.071 1
1 968 . 10 1 1 A 91 91 GLY HA3 H 91 3.960 4.607 -0.647 1
1 969 . 10 1 1 A 91 91 GLY C C 91 170.717 171.892 -1.175 1
1 970 . 10 1 1 A 91 91 GLY CA C 91 45.314 44.947 0.367 1
1 971 . 10 1 1 A 91 91 GLY N N 91 112.300 110.330 1.970 1
1 972 . 10 1 1 A 92 92 ARG H H 92 8.558 8.944 -0.386 1
1 973 . 10 1 1 A 92 92 ARG HA H 92 5.594 4.779 0.815 1
1 980 . 10 1 1 A 92 92 ARG C C 92 173.260 174.805 -1.545 1
1 981 . 10 1 1 A 92 92 ARG CA C 92 54.806 55.842 -1.036 1
1 982 . 10 1 1 A 92 92 ARG CB C 92 34.464 31.534 2.930 1
1 985 . 10 1 1 A 92 92 ARG N N 92 119.774 124.449 -4.675 1
1 986 . 10 1 1 A 93 93 VAL H H 93 8.430 8.527 -0.097 1
1 987 . 10 1 1 A 93 93 VAL HA H 93 4.081 4.210 -0.129 1
1 995 . 10 1 1 A 93 93 VAL C C 93 171.210 174.100 -2.890 1
1 996 . 10 1 1 A 93 93 VAL CA C 93 58.915 60.225 -1.310 1
1 997 . 10 1 1 A 93 93 VAL CB C 93 33.683 32.878 0.805 1
1 1000 . 10 1 1 A 93 93 VAL N N 93 120.381 122.008 -1.627 1
1 1001 . 10 1 1 A 94 94 THR H H 94 8.129 8.743 -0.614 1
1 1002 . 10 1 1 A 94 94 THR HA H 94 5.342 4.375 0.967 1
1 1007 . 10 1 1 A 94 94 THR C C 94 174.637 174.215 0.422 1
1 1008 . 10 1 1 A 94 94 THR CA C 94 60.799 63.128 -2.329 1
1 1009 . 10 1 1 A 94 94 THR CB C 94 70.768 68.729 2.039 1
1 1011 . 10 1 1 A 94 94 THR N N 94 124.645 124.842 -0.197 1
1 1012 . 10 1 1 A 95 95 THR H H 95 8.906 8.514 0.392 1
1 1013 . 10 1 1 A 95 95 THR HA H 95 4.115 4.201 -0.086 1
1 1018 . 10 1 1 A 95 95 THR C C 95 175.367 174.401 0.966 1
1 1019 . 10 1 1 A 95 95 THR CA C 95 60.909 62.523 -1.614 1
1 1020 . 10 1 1 A 95 95 THR CB C 95 70.346 69.620 0.726 1
1 1022 . 10 1 1 A 95 95 THR N N 95 116.835 120.741 -3.906 1
1 1023 . 10 1 1 A 96 96 LYS H H 96 7.372 8.370 -0.998 1
1 1024 . 10 1 1 A 96 96 LYS HA H 96 4.189 4.337 -0.148 1
1 1033 . 10 1 1 A 96 96 LYS C C 96 176.308 177.334 -1.026 1
1 1034 . 10 1 1 A 96 96 LYS CA C 96 55.207 56.238 -1.031 1
1 1035 . 10 1 1 A 96 96 LYS CB C 96 34.095 33.326 0.769 1
1 1039 . 10 1 1 A 96 96 LYS N N 96 116.829 122.994 -6.165 1
1 1040 . 10 1 1 A 97 97 LYS H H 97 8.113 8.557 -0.444 1
1 1041 . 10 1 1 A 97 97 LYS HA H 97 4.356 4.351 0.005 1
1 1050 . 10 1 1 A 97 97 LYS C C 97 176.106 176.413 -0.307 1
1 1051 . 10 1 1 A 97 97 LYS CA C 97 56.260 56.779 -0.519 1
1 1052 . 10 1 1 A 97 97 LYS CB C 97 33.140 32.941 0.199 1
1 1056 . 10 1 1 A 97 97 LYS N N 97 119.233 121.767 -2.534 1
1 1057 . 10 1 1 A 98 98 ALA H H 98 8.484 8.647 -0.163 1
1 1058 . 10 1 1 A 98 98 ALA HA H 98 4.054 3.903 0.151 1
1 1062 . 10 1 1 A 98 98 ALA C C 98 175.754 175.712 0.042 1
1 1063 . 10 1 1 A 98 98 ALA CA C 98 50.511 49.581 0.930 1
1 1064 . 10 1 1 A 98 98 ALA CB C 98 17.093 19.806 -2.713 1
1 1065 . 10 1 1 A 98 98 ALA N N 98 126.424 126.649 -0.225 1
1 1066 . 10 1 1 A 99 99 PRO HA H 99 4.313 4.554 -0.241 1
1 1073 . 10 1 1 A 99 99 PRO C C 99 176.506 177.653 -1.147 1
1 1074 . 10 1 1 A 99 99 PRO CA C 99 62.584 62.477 0.107 1
1 1075 . 10 1 1 A 99 99 PRO CB C 99 32.024 31.232 0.792 1
1 1078 . 10 1 1 A 100 100 SER H H 100 8.377 8.672 -0.295 1
1 1079 . 10 1 1 A 100 100 SER HA H 100 4.688 4.159 0.529 1
1 1082 . 10 1 1 A 100 100 SER CA C 100 56.296 62.737 -6.441 1
1 1083 . 10 1 1 A 100 100 SER CB C 100 63.276 61.963 1.313 1
1 1084 . 10 1 1 A 100 100 SER N N 100 117.700 119.481 -1.781 1
1 1086 . 10 1 1 A 103 103 SER HA H 103 4.507 4.132 0.375 1
1 1089 . 10 1 1 A 103 103 SER CA C 103 58.198 59.031 -0.833 1
1 1090 . 10 1 1 A 103 103 SER CB C 103 63.882 61.732 2.150 1
1 1091 . 10 1 1 A 104 104 GLY H H 104 8.233 8.166 0.067 1
1 1092 . 10 1 1 A 104 104 GLY HA2 H 104 4.124 4.039 0.085 1
1 1093 . 10 1 1 A 104 104 GLY HA3 H 104 4.124 4.042 0.082 1
1 1094 . 10 1 1 A 104 104 GLY CA C 104 44.608 44.264 0.344 1
1 1095 . 10 1 1 A 104 104 GLY N N 104 110.600 107.863 2.737 1
1 1096 . 10 1 1 A 105 105 PRO HA H 105 4.460 4.611 -0.151 1
1 1103 . 10 1 1 A 105 105 PRO CA C 105 63.264 62.626 0.638 1
1 1104 . 10 1 1 A 105 105 PRO CB C 105 32.094 32.885 -0.791 1
1 1 . 11 1 1 A 6 6 SER HA H 6 4.470 4.727 -0.257 1
1 3 . 11 1 1 A 6 6 SER C C 6 175.031 173.947 1.084 1
1 4 . 11 1 1 A 6 6 SER CA C 6 58.687 57.953 0.734 1
1 5 . 11 1 1 A 6 6 SER CB C 6 63.635 61.300 2.335 1
1 6 . 11 1 1 A 7 7 GLY H H 7 8.390 8.010 0.380 1
1 7 . 11 1 1 A 7 7 GLY HA2 H 7 3.941 4.287 -0.346 1
1 8 . 11 1 1 A 7 7 GLY HA3 H 7 3.941 4.287 -0.346 1
1 9 . 11 1 1 A 7 7 GLY C C 7 173.892 171.698 2.194 1
1 10 . 11 1 1 A 7 7 GLY CA C 7 45.348 46.025 -0.677 1
1 11 . 11 1 1 A 7 7 GLY N N 7 110.659 111.112 -0.453 1
1 12 . 11 1 1 A 8 8 LEU H H 8 8.017 8.419 -0.402 1
1 13 . 11 1 1 A 8 8 LEU HA H 8 4.347 4.837 -0.490 1
1 23 . 11 1 1 A 8 8 LEU C C 8 176.816 174.116 2.700 1
1 24 . 11 1 1 A 8 8 LEU CA C 8 54.760 54.339 0.421 1
1 25 . 11 1 1 A 8 8 LEU CB C 8 42.565 45.890 -3.325 1
1 29 . 11 1 1 A 8 8 LEU N N 8 121.546 120.100 1.446 1
1 30 . 11 1 1 A 9 9 ALA H H 9 8.291 8.845 -0.554 1
1 31 . 11 1 1 A 9 9 ALA HA H 9 4.589 4.844 -0.255 1
1 35 . 11 1 1 A 9 9 ALA C C 9 174.928 174.922 0.006 1
1 36 . 11 1 1 A 9 9 ALA CA C 9 50.381 49.261 1.120 1
1 37 . 11 1 1 A 9 9 ALA CB C 9 18.293 21.911 -3.618 1
1 38 . 11 1 1 A 9 9 ALA N N 9 126.618 127.929 -1.311 1
1 39 . 11 1 1 A 10 10 PRO HA H 10 4.708 4.700 0.008 1
1 45 . 11 1 1 A 10 10 PRO CA C 10 61.347 61.933 -0.586 1
1 46 . 11 1 1 A 10 10 PRO CB C 10 30.783 32.480 -1.697 1
1 49 . 11 1 1 A 11 11 PRO HA H 11 4.442 4.428 0.014 1
1 56 . 11 1 1 A 11 11 PRO C C 11 176.585 176.503 0.082 1
1 57 . 11 1 1 A 11 11 PRO CA C 11 63.016 64.522 -1.506 1
1 58 . 11 1 1 A 11 11 PRO CB C 11 32.096 32.311 -0.215 1
1 61 . 11 1 1 A 12 12 ARG H H 12 8.348 7.579 0.769 1
1 62 . 11 1 1 A 12 12 ARG HA H 12 4.405 5.046 -0.641 1
1 69 . 11 1 1 A 12 12 ARG C C 12 175.204 175.095 0.109 1
1 70 . 11 1 1 A 12 12 ARG CA C 12 55.797 54.409 1.388 1
1 71 . 11 1 1 A 12 12 ARG CB C 12 32.052 34.719 -2.667 1
1 74 . 11 1 1 A 12 12 ARG N N 12 120.519 117.975 2.544 1
1 75 . 11 1 1 A 13 13 HIS H H 13 8.296 8.807 -0.511 1
1 76 . 11 1 1 A 13 13 HIS HA H 13 4.815 5.220 -0.405 1
1 81 . 11 1 1 A 13 13 HIS C C 13 174.544 174.992 -0.448 1
1 82 . 11 1 1 A 13 13 HIS CA C 13 55.783 53.856 1.927 1
1 83 . 11 1 1 A 13 13 HIS CB C 13 32.469 32.531 -0.062 1
1 86 . 11 1 1 A 13 13 HIS N N 13 118.569 118.452 0.117 1
1 87 . 11 1 1 A 14 14 LEU H H 14 8.209 8.565 -0.356 1
1 88 . 11 1 1 A 14 14 LEU HA H 14 4.655 4.752 -0.097 1
1 98 . 11 1 1 A 14 14 LEU C C 14 175.977 175.986 -0.009 1
1 99 . 11 1 1 A 14 14 LEU CA C 14 53.935 53.376 0.559 1
1 100 . 11 1 1 A 14 14 LEU CB C 14 44.113 44.143 -0.030 1
1 104 . 11 1 1 A 14 14 LEU N N 14 120.625 121.719 -1.094 1
1 105 . 11 1 1 A 15 15 GLY H H 15 7.988 7.735 0.253 1
1 106 . 11 1 1 A 15 15 GLY HA2 H 15 4.008 3.346 0.662 1
1 107 . 11 1 1 A 15 15 GLY HA3 H 15 2.486 4.069 -1.583 1
1 108 . 11 1 1 A 15 15 GLY C C 15 170.056 171.124 -1.068 1
1 109 . 11 1 1 A 15 15 GLY CA C 15 43.188 43.419 -0.231 1
1 110 . 11 1 1 A 15 15 GLY N N 15 111.142 109.491 1.651 1
1 111 . 11 1 1 A 16 16 PHE H H 16 8.078 8.643 -0.565 1
1 112 . 11 1 1 A 16 16 PHE HA H 16 5.830 5.284 0.546 1
1 120 . 11 1 1 A 16 16 PHE C C 16 175.968 173.973 1.995 1
1 121 . 11 1 1 A 16 16 PHE CA C 16 56.048 56.088 -0.040 1
1 122 . 11 1 1 A 16 16 PHE CB C 16 43.353 41.936 1.417 1
1 128 . 11 1 1 A 16 16 PHE N N 16 114.388 120.576 -6.188 1
1 129 . 11 1 1 A 17 17 SER H H 17 9.811 8.853 0.958 1
1 130 . 11 1 1 A 17 17 SER HA H 17 4.883 5.038 -0.155 1
1 133 . 11 1 1 A 17 17 SER C C 17 171.638 172.828 -1.190 1
1 134 . 11 1 1 A 17 17 SER CA C 17 57.073 56.242 0.831 1
1 135 . 11 1 1 A 17 17 SER CB C 17 66.893 66.763 0.130 1
1 136 . 11 1 1 A 17 17 SER N N 17 118.688 118.344 0.344 1
1 137 . 11 1 1 A 18 18 ASP H H 18 9.001 8.810 0.191 1
1 138 . 11 1 1 A 18 18 ASP HA H 18 4.171 4.143 0.028 1
1 141 . 11 1 1 A 18 18 ASP C C 18 174.520 175.526 -1.006 1
1 142 . 11 1 1 A 18 18 ASP CA C 18 55.333 55.140 0.193 1
1 143 . 11 1 1 A 18 18 ASP CB C 18 40.075 39.337 0.738 1
1 144 . 11 1 1 A 18 18 ASP N N 18 116.878 121.937 -5.059 1
1 145 . 11 1 1 A 19 19 VAL H H 19 8.202 7.942 0.260 1
1 146 . 11 1 1 A 19 19 VAL HA H 19 4.169 3.967 0.202 1
1 154 . 11 1 1 A 19 19 VAL C C 19 176.641 175.684 0.957 1
1 155 . 11 1 1 A 19 19 VAL CA C 19 63.962 63.384 0.578 1
1 156 . 11 1 1 A 19 19 VAL CB C 19 31.236 31.424 -0.188 1
1 159 . 11 1 1 A 19 19 VAL N N 19 117.253 119.502 -2.249 1
1 160 . 11 1 1 A 20 20 SER H H 20 9.066 8.625 0.441 1
1 161 . 11 1 1 A 20 20 SER HA H 20 5.061 4.859 0.202 1
1 164 . 11 1 1 A 20 20 SER C C 20 174.081 175.033 -0.952 1
1 165 . 11 1 1 A 20 20 SER CA C 20 55.582 55.432 0.150 1
1 166 . 11 1 1 A 20 20 SER CB C 20 65.090 65.809 -0.719 1
1 167 . 11 1 1 A 20 20 SER N N 20 126.686 121.606 5.080 1
1 168 . 11 1 1 A 21 21 HIS H H 21 8.635 8.571 0.064 1
1 169 . 11 1 1 A 21 21 HIS HA H 21 4.895 4.715 0.180 1
1 174 . 11 1 1 A 21 21 HIS C C 21 175.242 174.976 0.266 1
1 175 . 11 1 1 A 21 21 HIS CA C 21 56.934 56.259 0.675 1
1 176 . 11 1 1 A 21 21 HIS CB C 21 30.651 30.337 0.314 1
1 179 . 11 1 1 A 21 21 HIS N N 21 117.241 120.995 -3.754 1
1 180 . 11 1 1 A 22 22 ASP H H 22 7.400 7.838 -0.438 1
1 181 . 11 1 1 A 22 22 ASP HA H 22 4.803 4.900 -0.097 1
1 184 . 11 1 1 A 22 22 ASP C C 22 176.754 174.846 1.908 1
1 185 . 11 1 1 A 22 22 ASP CA C 22 52.316 53.235 -0.919 1
1 186 . 11 1 1 A 22 22 ASP CB C 22 41.697 41.902 -0.205 1
1 187 . 11 1 1 A 22 22 ASP N N 22 115.766 119.357 -3.591 1
1 188 . 11 1 1 A 23 23 ALA H H 23 7.379 7.446 -0.067 1
1 189 . 11 1 1 A 23 23 ALA HA H 23 4.753 4.702 0.051 1
1 193 . 11 1 1 A 23 23 ALA C C 23 174.757 175.000 -0.243 1
1 194 . 11 1 1 A 23 23 ALA CA C 23 51.613 51.502 0.111 1
1 195 . 11 1 1 A 23 23 ALA CB C 23 22.882 22.197 0.685 1
1 196 . 11 1 1 A 23 23 ALA N N 23 122.521 119.925 2.596 1
1 197 . 11 1 1 A 24 24 ALA H H 24 7.745 8.000 -0.255 1
1 198 . 11 1 1 A 24 24 ALA HA H 24 4.593 4.860 -0.267 1
1 202 . 11 1 1 A 24 24 ALA C C 24 173.662 175.240 -1.578 1
1 203 . 11 1 1 A 24 24 ALA CA C 24 52.233 51.721 0.512 1
1 204 . 11 1 1 A 24 24 ALA CB C 24 22.894 22.717 0.177 1
1 205 . 11 1 1 A 24 24 ALA N N 24 115.485 120.240 -4.755 1
1 206 . 11 1 1 A 25 25 ARG H H 25 8.690 8.857 -0.167 1
1 207 . 11 1 1 A 25 25 ARG HA H 25 5.209 4.813 0.396 1
1 214 . 11 1 1 A 25 25 ARG C C 25 174.777 174.939 -0.162 1
1 215 . 11 1 1 A 25 25 ARG CA C 25 55.161 55.437 -0.276 1
1 216 . 11 1 1 A 25 25 ARG CB C 25 32.329 31.491 0.838 1
1 219 . 11 1 1 A 25 25 ARG N N 25 122.853 124.088 -1.235 1
1 220 . 11 1 1 A 26 26 VAL H H 26 8.865 8.753 0.112 1
1 221 . 11 1 1 A 26 26 VAL HA H 26 5.120 4.732 0.388 1
1 229 . 11 1 1 A 26 26 VAL C C 26 172.428 174.673 -2.245 1
1 230 . 11 1 1 A 26 26 VAL CA C 26 57.420 59.805 -2.385 1
1 231 . 11 1 1 A 26 26 VAL CB C 26 34.734 34.069 0.665 1
1 234 . 11 1 1 A 26 26 VAL N N 26 125.534 127.360 -1.826 1
1 235 . 11 1 1 A 27 27 PHE H H 27 8.520 8.306 0.214 1
1 236 . 11 1 1 A 27 27 PHE HA H 27 5.039 5.554 -0.515 1
1 244 . 11 1 1 A 27 27 PHE C C 27 172.979 173.612 -0.633 1
1 245 . 11 1 1 A 27 27 PHE CA C 27 56.293 54.876 1.417 1
1 246 . 11 1 1 A 27 27 PHE CB C 27 42.190 42.434 -0.244 1
1 252 . 11 1 1 A 27 27 PHE N N 27 123.552 124.000 -0.448 1
1 253 . 11 1 1 A 28 28 TRP H H 28 7.813 8.059 -0.246 1
1 254 . 11 1 1 A 28 28 TRP HA H 28 5.058 5.343 -0.285 1
1 263 . 11 1 1 A 28 28 TRP C C 28 174.131 176.417 -2.286 1
1 264 . 11 1 1 A 28 28 TRP CA C 28 55.730 54.421 1.309 1
1 265 . 11 1 1 A 28 28 TRP CB C 28 30.997 33.312 -2.315 1
1 271 . 11 1 1 A 28 28 TRP N N 28 116.968 121.145 -4.177 1
1 273 . 11 1 1 A 29 29 GLU H H 29 8.362 9.082 -0.720 1
1 274 . 11 1 1 A 29 29 GLU HA H 29 4.356 4.403 -0.047 1
1 279 . 11 1 1 A 29 29 GLU C C 29 177.125 176.817 0.308 1
1 280 . 11 1 1 A 29 29 GLU CA C 29 55.820 56.413 -0.593 1
1 281 . 11 1 1 A 29 29 GLU CB C 29 31.085 29.683 1.402 1
1 283 . 11 1 1 A 29 29 GLU N N 29 119.239 118.701 0.538 1
1 284 . 11 1 1 A 30 30 GLY H H 30 8.729 8.116 0.613 1
1 285 . 11 1 1 A 30 30 GLY HA2 H 30 4.051 4.179 -0.128 1
1 286 . 11 1 1 A 30 30 GLY HA3 H 30 3.781 4.375 -0.594 1
1 287 . 11 1 1 A 30 30 GLY C C 30 173.621 172.768 0.853 1
1 288 . 11 1 1 A 30 30 GLY CA C 30 45.559 44.920 0.639 1
1 289 . 11 1 1 A 30 30 GLY N N 30 110.979 107.754 3.225 1
1 290 . 11 1 1 A 31 31 ALA H H 31 8.747 8.064 0.683 1
1 291 . 11 1 1 A 31 31 ALA HA H 31 4.577 4.992 -0.415 1
1 295 . 11 1 1 A 31 31 ALA C C 31 177.064 176.878 0.186 1
1 296 . 11 1 1 A 31 31 ALA CA C 31 50.416 50.219 0.197 1
1 297 . 11 1 1 A 31 31 ALA CB C 31 19.221 22.113 -2.892 1
1 298 . 11 1 1 A 31 31 ALA N N 31 126.357 121.614 4.743 1
1 299 . 11 1 1 A 32 32 PRO HA H 32 4.630 4.514 0.116 1
1 306 . 11 1 1 A 32 32 PRO C C 32 175.001 175.271 -0.270 1
1 307 . 11 1 1 A 32 32 PRO CA C 32 63.368 64.041 -0.673 1
1 308 . 11 1 1 A 32 32 PRO CB C 32 30.738 31.863 -1.125 1
1 311 . 11 1 1 A 33 33 ARG H H 33 7.418 7.407 0.011 1
1 312 . 11 1 1 A 33 33 ARG HA H 33 4.746 4.865 -0.119 1
1 319 . 11 1 1 A 33 33 ARG C C 33 172.695 173.886 -1.191 1
1 320 . 11 1 1 A 33 33 ARG CA C 33 53.205 53.242 -0.037 1
1 321 . 11 1 1 A 33 33 ARG CB C 33 30.414 32.676 -2.262 1
1 324 . 11 1 1 A 33 33 ARG N N 33 117.994 114.070 3.924 1
1 325 . 11 1 1 A 34 34 PRO HA H 34 4.273 4.739 -0.466 1
1 332 . 11 1 1 A 34 34 PRO C C 34 175.342 176.285 -0.943 1
1 333 . 11 1 1 A 34 34 PRO CA C 34 64.037 62.588 1.449 1
1 334 . 11 1 1 A 34 34 PRO CB C 34 32.581 32.504 0.077 1
1 337 . 11 1 1 A 35 35 VAL H H 35 8.264 8.680 -0.416 1
1 338 . 11 1 1 A 35 35 VAL HA H 35 4.237 4.874 -0.637 1
1 346 . 11 1 1 A 35 35 VAL C C 35 175.771 176.041 -0.270 1
1 347 . 11 1 1 A 35 35 VAL CA C 35 61.890 60.566 1.324 1
1 348 . 11 1 1 A 35 35 VAL CB C 35 35.092 35.708 -0.616 1
1 351 . 11 1 1 A 35 35 VAL N N 35 122.377 122.254 0.123 1
1 352 . 11 1 1 A 36 36 ARG H H 36 9.278 8.223 1.055 1
1 353 . 11 1 1 A 36 36 ARG HA H 36 4.426 4.619 -0.193 1
1 360 . 11 1 1 A 36 36 ARG C C 36 175.620 176.161 -0.541 1
1 361 . 11 1 1 A 36 36 ARG CA C 36 57.672 56.651 1.021 1
1 362 . 11 1 1 A 36 36 ARG CB C 36 31.595 31.839 -0.244 1
1 365 . 11 1 1 A 36 36 ARG N N 36 125.821 122.199 3.622 1
1 366 . 11 1 1 A 37 37 LEU H H 37 7.525 7.007 0.518 1
1 367 . 11 1 1 A 37 37 LEU HA H 37 4.403 4.683 -0.280 1
1 377 . 11 1 1 A 37 37 LEU C C 37 172.405 174.344 -1.939 1
1 378 . 11 1 1 A 37 37 LEU CA C 37 54.913 54.429 0.484 1
1 379 . 11 1 1 A 37 37 LEU CB C 37 46.166 45.110 1.056 1
1 383 . 11 1 1 A 37 37 LEU N N 37 119.761 119.197 0.564 1
1 384 . 11 1 1 A 38 38 VAL H H 38 8.513 8.632 -0.119 1
1 385 . 11 1 1 A 38 38 VAL HA H 38 4.790 4.806 -0.016 1
1 393 . 11 1 1 A 38 38 VAL C C 38 174.595 174.611 -0.016 1
1 394 . 11 1 1 A 38 38 VAL CA C 38 60.992 60.423 0.569 1
1 395 . 11 1 1 A 38 38 VAL CB C 38 33.979 35.673 -1.694 1
1 398 . 11 1 1 A 38 38 VAL N N 38 123.604 123.990 -0.386 1
1 399 . 11 1 1 A 39 39 ARG H H 39 9.025 8.999 0.026 1
1 400 . 11 1 1 A 39 39 ARG HA H 39 4.839 5.069 -0.230 1
1 407 . 11 1 1 A 39 39 ARG C C 39 174.581 174.639 -0.058 1
1 408 . 11 1 1 A 39 39 ARG CA C 39 55.150 54.713 0.437 1
1 409 . 11 1 1 A 39 39 ARG CB C 39 32.919 33.282 -0.363 1
1 412 . 11 1 1 A 39 39 ARG N N 39 126.442 127.675 -1.233 1
1 413 . 11 1 1 A 40 40 VAL H H 40 9.059 9.173 -0.114 1
1 414 . 11 1 1 A 40 40 VAL HA H 40 5.177 5.054 0.123 1
1 422 . 11 1 1 A 40 40 VAL C C 40 175.508 175.590 -0.082 1
1 423 . 11 1 1 A 40 40 VAL CA C 40 60.513 61.601 -1.088 1
1 424 . 11 1 1 A 40 40 VAL CB C 40 33.390 32.683 0.707 1
1 427 . 11 1 1 A 40 40 VAL N N 40 127.219 127.129 0.090 1
1 428 . 11 1 1 A 41 41 THR H H 41 9.244 9.322 -0.078 1
1 429 . 11 1 1 A 41 41 THR HA H 41 5.056 5.176 -0.120 1
1 434 . 11 1 1 A 41 41 THR C C 41 173.323 173.439 -0.116 1
1 435 . 11 1 1 A 41 41 THR CA C 41 59.618 60.555 -0.937 1
1 436 . 11 1 1 A 41 41 THR CB C 41 71.668 71.175 0.493 1
1 438 . 11 1 1 A 41 41 THR N N 41 117.579 119.004 -1.425 1
1 439 . 11 1 1 A 42 42 TYR H H 42 7.955 8.365 -0.410 1
1 440 . 11 1 1 A 42 42 TYR HA H 42 5.825 6.198 -0.373 1
1 447 . 11 1 1 A 42 42 TYR C C 42 173.794 173.695 0.099 1
1 448 . 11 1 1 A 42 42 TYR CA C 42 54.314 55.283 -0.969 1
1 449 . 11 1 1 A 42 42 TYR CB C 42 39.788 42.272 -2.484 1
1 454 . 11 1 1 A 42 42 TYR N N 42 117.304 119.890 -2.586 1
1 455 . 11 1 1 A 43 43 VAL H H 43 8.547 8.739 -0.192 1
1 456 . 11 1 1 A 43 43 VAL HA H 43 5.069 4.825 0.244 1
1 464 . 11 1 1 A 43 43 VAL C C 43 174.912 174.611 0.301 1
1 465 . 11 1 1 A 43 43 VAL CA C 43 60.142 60.262 -0.120 1
1 466 . 11 1 1 A 43 43 VAL CB C 43 35.329 35.761 -0.432 1
1 469 . 11 1 1 A 43 43 VAL N N 43 119.038 121.516 -2.478 1
1 470 . 11 1 1 A 44 44 SER H H 44 9.123 8.587 0.536 1
1 471 . 11 1 1 A 44 44 SER HA H 44 4.307 2.878 1.429 1
1 474 . 11 1 1 A 44 44 SER C C 44 176.777 174.908 1.869 1
1 475 . 11 1 1 A 44 44 SER CA C 44 57.838 57.232 0.606 1
1 476 . 11 1 1 A 44 44 SER CB C 44 64.064 64.264 -0.200 1
1 477 . 11 1 1 A 44 44 SER N N 44 124.942 120.081 4.861 1
1 478 . 11 1 1 A 45 45 SER H H 45 8.562 8.428 0.134 1
1 479 . 11 1 1 A 45 45 SER HA H 45 4.175 4.040 0.135 1
1 482 . 11 1 1 A 45 45 SER C C 45 175.366 174.148 1.218 1
1 483 . 11 1 1 A 45 45 SER CA C 45 61.239 61.440 -0.201 1
1 484 . 11 1 1 A 45 45 SER CB C 45 62.976 62.980 -0.004 1
1 485 . 11 1 1 A 45 45 SER N N 45 119.157 118.084 1.073 1
1 486 . 11 1 1 A 46 46 GLU H H 46 8.321 7.765 0.556 1
1 487 . 11 1 1 A 46 46 GLU HA H 46 4.442 4.565 -0.123 1
1 492 . 11 1 1 A 46 46 GLU C C 46 177.463 176.922 0.541 1
1 493 . 11 1 1 A 46 46 GLU CA C 46 56.409 54.247 2.162 1
1 494 . 11 1 1 A 46 46 GLU CB C 46 29.633 31.092 -1.459 1
1 496 . 11 1 1 A 46 46 GLU N N 46 119.112 119.450 -0.338 1
1 497 . 11 1 1 A 47 47 GLY H H 47 8.129 8.604 -0.475 1
1 498 . 11 1 1 A 47 47 GLY HA2 H 47 4.150 3.975 0.175 1
1 499 . 11 1 1 A 47 47 GLY HA3 H 47 3.646 3.985 -0.339 1
1 500 . 11 1 1 A 47 47 GLY C C 47 175.047 174.272 0.775 1
1 501 . 11 1 1 A 47 47 GLY CA C 47 45.400 45.517 -0.117 1
1 502 . 11 1 1 A 47 47 GLY N N 47 109.344 109.293 0.051 1
1 503 . 11 1 1 A 48 48 GLY H H 48 7.927 8.356 -0.429 1
1 504 . 11 1 1 A 48 48 GLY HA2 H 48 3.982 4.121 -0.139 1
1 505 . 11 1 1 A 48 48 GLY HA3 H 48 3.855 4.133 -0.278 1
1 506 . 11 1 1 A 48 48 GLY C C 48 173.614 173.205 0.409 1
1 507 . 11 1 1 A 48 48 GLY CA C 48 46.073 46.236 -0.163 1
1 508 . 11 1 1 A 48 48 GLY N N 48 107.840 111.282 -3.442 1
1 509 . 11 1 1 A 49 49 HIS H H 49 7.985 8.223 -0.238 1
1 510 . 11 1 1 A 49 49 HIS HA H 49 4.951 4.912 0.039 1
1 515 . 11 1 1 A 49 49 HIS C C 49 173.760 174.024 -0.264 1
1 516 . 11 1 1 A 49 49 HIS CA C 49 56.608 55.412 1.196 1
1 517 . 11 1 1 A 49 49 HIS CB C 49 33.119 31.785 1.334 1
1 520 . 11 1 1 A 49 49 HIS N N 49 120.577 120.267 0.310 1
1 521 . 11 1 1 A 50 50 SER H H 50 8.118 8.367 -0.249 1
1 522 . 11 1 1 A 50 50 SER HA H 50 5.184 4.665 0.519 1
1 525 . 11 1 1 A 50 50 SER C C 50 172.582 172.083 0.499 1
1 526 . 11 1 1 A 50 50 SER CA C 50 56.463 56.970 -0.507 1
1 527 . 11 1 1 A 50 50 SER CB C 50 66.423 65.978 0.445 1
1 528 . 11 1 1 A 50 50 SER N N 50 120.879 119.700 1.179 1
1 529 . 11 1 1 A 51 51 GLY H H 51 7.900 7.958 -0.058 1
1 530 . 11 1 1 A 51 51 GLY HA2 H 51 4.027 3.668 0.359 1
1 531 . 11 1 1 A 51 51 GLY HA3 H 51 3.236 4.115 -0.879 1
1 532 . 11 1 1 A 51 51 GLY C C 51 171.073 172.043 -0.970 1
1 533 . 11 1 1 A 51 51 GLY CA C 51 44.696 44.421 0.275 1
1 534 . 11 1 1 A 51 51 GLY N N 51 108.215 106.807 1.408 1
1 535 . 11 1 1 A 52 52 GLN H H 52 8.256 8.407 -0.151 1
1 536 . 11 1 1 A 52 52 GLN HA H 52 5.308 5.131 0.177 1
1 543 . 11 1 1 A 52 52 GLN C C 52 174.217 173.444 0.773 1
1 544 . 11 1 1 A 52 52 GLN CA C 52 54.516 55.876 -1.360 1
1 545 . 11 1 1 A 52 52 GLN CB C 52 32.541 31.510 1.031 1
1 547 . 11 1 1 A 52 52 GLN N N 52 115.667 119.298 -3.631 1
1 549 . 11 1 1 A 53 53 THR H H 53 9.298 9.187 0.111 1
1 550 . 11 1 1 A 53 53 THR HA H 53 4.753 5.210 -0.457 1
1 555 . 11 1 1 A 53 53 THR C C 53 171.720 172.629 -0.909 1
1 556 . 11 1 1 A 53 53 THR CA C 53 60.869 59.600 1.269 1
1 557 . 11 1 1 A 53 53 THR CB C 53 70.580 71.980 -1.400 1
1 559 . 11 1 1 A 53 53 THR N N 53 117.486 121.296 -3.810 1
1 560 . 11 1 1 A 54 54 GLU H H 54 8.404 8.738 -0.334 1
1 561 . 11 1 1 A 54 54 GLU HA H 54 5.378 5.344 0.034 1
1 566 . 11 1 1 A 54 54 GLU C C 54 174.705 175.754 -1.049 1
1 567 . 11 1 1 A 54 54 GLU CA C 54 54.693 55.090 -0.397 1
1 568 . 11 1 1 A 54 54 GLU CB C 54 33.434 32.384 1.050 1
1 570 . 11 1 1 A 54 54 GLU N N 54 123.651 126.816 -3.165 1
1 571 . 11 1 1 A 55 55 ALA H H 55 9.471 8.659 0.812 1
1 572 . 11 1 1 A 55 55 ALA HA H 55 5.056 4.897 0.159 1
1 576 . 11 1 1 A 55 55 ALA C C 55 172.938 174.156 -1.218 1
1 577 . 11 1 1 A 55 55 ALA CA C 55 49.216 49.892 -0.676 1
1 578 . 11 1 1 A 55 55 ALA CB C 55 20.410 22.168 -1.758 1
1 579 . 11 1 1 A 55 55 ALA N N 55 126.815 122.588 4.227 1
1 580 . 11 1 1 A 56 56 PRO HA H 56 4.630 4.575 0.055 1
1 587 . 11 1 1 A 56 56 PRO C C 56 176.935 177.545 -0.610 1
1 588 . 11 1 1 A 56 56 PRO CA C 56 62.303 62.622 -0.319 1
1 589 . 11 1 1 A 56 56 PRO CB C 56 32.745 32.724 0.021 1
1 592 . 11 1 1 A 57 57 GLY H H 57 8.240 8.634 -0.394 1
1 593 . 11 1 1 A 57 57 GLY HA2 H 57 3.839 3.884 -0.045 1
1 594 . 11 1 1 A 57 57 GLY HA3 H 57 3.547 3.900 -0.353 1
1 595 . 11 1 1 A 57 57 GLY C C 57 173.839 174.956 -1.117 1
1 596 . 11 1 1 A 57 57 GLY CA C 57 47.092 46.802 0.290 1
1 597 . 11 1 1 A 57 57 GLY N N 57 104.338 109.757 -5.419 1
1 598 . 11 1 1 A 58 58 ASN H H 58 7.935 8.020 -0.085 1
1 599 . 11 1 1 A 58 58 ASN HA H 58 4.778 4.845 -0.067 1
1 604 . 11 1 1 A 58 58 ASN C C 58 175.578 175.377 0.201 1
1 605 . 11 1 1 A 58 58 ASN CA C 58 52.176 53.496 -1.320 1
1 606 . 11 1 1 A 58 58 ASN CB C 58 37.384 38.916 -1.532 1
1 607 . 11 1 1 A 58 58 ASN N N 58 114.653 116.919 -2.266 1
1 609 . 11 1 1 A 59 59 ALA H H 59 8.041 7.888 0.153 1
1 610 . 11 1 1 A 59 59 ALA HA H 59 4.360 4.372 -0.012 1
1 614 . 11 1 1 A 59 59 ALA C C 59 177.738 178.671 -0.933 1
1 615 . 11 1 1 A 59 59 ALA CA C 59 52.792 51.406 1.386 1
1 616 . 11 1 1 A 59 59 ALA CB C 59 20.834 19.946 0.888 1
1 617 . 11 1 1 A 59 59 ALA N N 59 124.183 122.535 1.648 1
1 618 . 11 1 1 A 60 60 THR H H 60 8.274 8.693 -0.419 1
1 619 . 11 1 1 A 60 60 THR HA H 60 3.299 3.911 -0.612 1
1 624 . 11 1 1 A 60 60 THR C C 60 171.681 173.211 -1.530 1
1 625 . 11 1 1 A 60 60 THR CA C 60 59.732 61.136 -1.404 1
1 626 . 11 1 1 A 60 60 THR CB C 60 69.010 68.827 0.183 1
1 628 . 11 1 1 A 60 60 THR N N 60 108.095 113.428 -5.333 1
1 629 . 11 1 1 A 61 61 SER H H 61 6.728 7.375 -0.647 1
1 630 . 11 1 1 A 61 61 SER HA H 61 4.584 4.167 0.417 1
1 633 . 11 1 1 A 61 61 SER C C 61 172.948 172.011 0.937 1
1 634 . 11 1 1 A 61 61 SER CA C 61 57.403 56.883 0.520 1
1 635 . 11 1 1 A 61 61 SER CB C 61 65.767 64.679 1.088 1
1 636 . 11 1 1 A 61 61 SER N N 61 110.991 113.984 -2.993 1
1 637 . 11 1 1 A 62 62 ALA H H 62 8.954 8.378 0.576 1
1 638 . 11 1 1 A 62 62 ALA HA H 62 4.581 5.011 -0.430 1
1 642 . 11 1 1 A 62 62 ALA C C 62 174.741 176.164 -1.423 1
1 643 . 11 1 1 A 62 62 ALA CA C 62 51.949 51.525 0.424 1
1 644 . 11 1 1 A 62 62 ALA CB C 62 21.659 23.237 -1.578 1
1 645 . 11 1 1 A 62 62 ALA N N 62 119.306 124.410 -5.104 1
1 646 . 11 1 1 A 63 63 MET H H 63 8.599 8.651 -0.052 1
1 647 . 11 1 1 A 63 63 MET HA H 63 4.993 4.783 0.210 1
1 655 . 11 1 1 A 63 63 MET C C 63 175.386 175.618 -0.232 1
1 656 . 11 1 1 A 63 63 MET CA C 63 53.760 54.444 -0.684 1
1 657 . 11 1 1 A 63 63 MET CB C 63 31.842 33.125 -1.283 1
1 660 . 11 1 1 A 63 63 MET N N 63 120.537 119.687 0.850 1
1 661 . 11 1 1 A 64 64 LEU H H 64 9.244 8.541 0.703 1
1 662 . 11 1 1 A 64 64 LEU HA H 64 4.494 4.888 -0.394 1
1 672 . 11 1 1 A 64 64 LEU C C 64 175.976 175.556 0.420 1
1 673 . 11 1 1 A 64 64 LEU CA C 64 52.988 53.022 -0.034 1
1 674 . 11 1 1 A 64 64 LEU CB C 64 42.785 45.390 -2.605 1
1 678 . 11 1 1 A 64 64 LEU N N 64 124.823 122.600 2.223 1
1 679 . 11 1 1 A 65 65 GLY H H 65 7.516 7.883 -0.367 1
1 680 . 11 1 1 A 65 65 GLY HA2 H 65 4.505 4.059 0.446 1
1 681 . 11 1 1 A 65 65 GLY HA3 H 65 3.237 4.064 -0.827 1
1 682 . 11 1 1 A 65 65 GLY C C 65 170.608 173.246 -2.638 1
1 683 . 11 1 1 A 65 65 GLY CA C 65 44.505 44.192 0.313 1
1 684 . 11 1 1 A 65 65 GLY N N 65 106.855 108.334 -1.479 1
1 685 . 11 1 1 A 66 66 PRO HA H 66 4.626 5.030 -0.404 1
1 692 . 11 1 1 A 66 66 PRO C C 66 176.262 176.248 0.014 1
1 693 . 11 1 1 A 66 66 PRO CA C 66 62.542 62.880 -0.338 1
1 694 . 11 1 1 A 66 66 PRO CB C 66 34.107 32.147 1.960 1
1 697 . 11 1 1 A 67 67 LEU H H 67 8.487 8.522 -0.035 1
1 698 . 11 1 1 A 67 67 LEU HA H 67 4.586 4.826 -0.240 1
1 708 . 11 1 1 A 67 67 LEU C C 67 176.158 175.562 0.596 1
1 709 . 11 1 1 A 67 67 LEU CA C 67 52.335 53.089 -0.754 1
1 710 . 11 1 1 A 67 67 LEU CB C 67 43.440 43.542 -0.102 1
1 714 . 11 1 1 A 67 67 LEU N N 67 124.582 122.576 2.006 1
1 715 . 11 1 1 A 68 68 SER H H 68 8.958 8.602 0.356 1
1 716 . 11 1 1 A 68 68 SER HA H 68 4.529 4.598 -0.069 1
1 719 . 11 1 1 A 68 68 SER C C 68 174.360 173.543 0.817 1
1 720 . 11 1 1 A 68 68 SER CA C 68 58.649 56.308 2.341 1
1 721 . 11 1 1 A 68 68 SER CB C 68 64.239 65.242 -1.003 1
1 722 . 11 1 1 A 68 68 SER N N 68 117.670 117.458 0.212 1
1 723 . 11 1 1 A 69 69 SER H H 69 8.511 8.691 -0.180 1
1 724 . 11 1 1 A 69 69 SER HA H 69 5.085 5.193 -0.108 1
1 727 . 11 1 1 A 69 69 SER C C 69 175.660 174.040 1.620 1
1 728 . 11 1 1 A 69 69 SER CA C 69 59.071 56.321 2.750 1
1 729 . 11 1 1 A 69 69 SER CB C 69 64.439 65.880 -1.441 1
1 730 . 11 1 1 A 69 69 SER N N 69 119.760 117.739 2.021 1
1 731 . 11 1 1 A 70 70 SER H H 70 7.974 8.758 -0.784 1
1 732 . 11 1 1 A 70 70 SER HA H 70 3.799 4.276 -0.477 1
1 735 . 11 1 1 A 70 70 SER C C 70 173.645 173.031 0.614 1
1 736 . 11 1 1 A 70 70 SER CA C 70 58.453 59.201 -0.748 1
1 737 . 11 1 1 A 70 70 SER CB C 70 62.477 61.978 0.499 1
1 738 . 11 1 1 A 70 70 SER N N 70 121.170 116.261 4.909 1
1 739 . 11 1 1 A 71 71 THR H H 71 8.325 7.607 0.718 1
1 740 . 11 1 1 A 71 71 THR HA H 71 4.482 4.734 -0.252 1
1 745 . 11 1 1 A 71 71 THR C C 71 171.950 173.541 -1.591 1
1 746 . 11 1 1 A 71 71 THR CA C 71 62.453 61.769 0.684 1
1 747 . 11 1 1 A 71 71 THR CB C 71 72.120 71.316 0.804 1
1 749 . 11 1 1 A 71 71 THR N N 71 115.265 114.901 0.364 1
1 750 . 11 1 1 A 72 72 THR H H 72 8.963 8.744 0.219 1
1 751 . 11 1 1 A 72 72 THR HA H 72 5.044 4.798 0.246 1
1 756 . 11 1 1 A 72 72 THR C C 72 173.198 173.977 -0.779 1
1 757 . 11 1 1 A 72 72 THR CA C 72 62.216 63.139 -0.923 1
1 758 . 11 1 1 A 72 72 THR CB C 72 69.392 69.453 -0.061 1
1 760 . 11 1 1 A 72 72 THR N N 72 124.221 121.489 2.732 1
1 761 . 11 1 1 A 73 73 TYR H H 73 9.711 9.560 0.151 1
1 762 . 11 1 1 A 73 73 TYR HA H 73 4.852 5.151 -0.299 1
1 767 . 11 1 1 A 73 73 TYR C C 73 175.854 174.742 1.112 1
1 768 . 11 1 1 A 73 73 TYR CA C 73 57.596 56.261 1.335 1
1 769 . 11 1 1 A 73 73 TYR CB C 73 41.377 43.022 -1.645 1
1 774 . 11 1 1 A 73 73 TYR N N 73 126.553 125.396 1.157 1
1 775 . 11 1 1 A 74 74 THR H H 74 8.981 9.309 -0.328 1
1 776 . 11 1 1 A 74 74 THR HA H 74 4.648 4.871 -0.223 1
1 781 . 11 1 1 A 74 74 THR C C 74 174.296 173.767 0.529 1
1 782 . 11 1 1 A 74 74 THR CA C 74 63.156 62.069 1.087 1
1 783 . 11 1 1 A 74 74 THR CB C 74 68.916 69.233 -0.317 1
1 785 . 11 1 1 A 74 74 THR N N 74 118.190 117.255 0.935 1
1 786 . 11 1 1 A 75 75 VAL H H 75 9.376 9.305 0.071 1
1 787 . 11 1 1 A 75 75 VAL HA H 75 4.951 4.516 0.435 1
1 795 . 11 1 1 A 75 75 VAL C C 75 173.554 174.836 -1.282 1
1 796 . 11 1 1 A 75 75 VAL CA C 75 61.004 62.109 -1.105 1
1 797 . 11 1 1 A 75 75 VAL CB C 75 34.541 32.782 1.759 1
1 800 . 11 1 1 A 75 75 VAL N N 75 130.973 128.641 2.332 1
1 801 . 11 1 1 A 76 76 ARG H H 76 9.023 8.940 0.083 1
1 802 . 11 1 1 A 76 76 ARG HA H 76 5.218 5.126 0.092 1
1 809 . 11 1 1 A 76 76 ARG C C 76 175.034 174.447 0.587 1
1 810 . 11 1 1 A 76 76 ARG CA C 76 54.501 54.676 -0.175 1
1 811 . 11 1 1 A 76 76 ARG CB C 76 32.621 33.565 -0.944 1
1 814 . 11 1 1 A 76 76 ARG N N 76 126.030 127.996 -1.966 1
1 815 . 11 1 1 A 77 77 VAL H H 77 9.155 9.162 -0.007 1
1 816 . 11 1 1 A 77 77 VAL HA H 77 4.165 4.317 -0.152 1
1 824 . 11 1 1 A 77 77 VAL C C 77 174.967 174.927 0.040 1
1 825 . 11 1 1 A 77 77 VAL CA C 77 61.626 61.896 -0.270 1
1 826 . 11 1 1 A 77 77 VAL CB C 77 33.367 31.111 2.256 1
1 829 . 11 1 1 A 77 77 VAL N N 77 125.903 127.315 -1.412 1
1 830 . 11 1 1 A 78 78 THR H H 78 9.313 8.846 0.467 1
1 831 . 11 1 1 A 78 78 THR HA H 78 5.121 5.047 0.074 1
1 836 . 11 1 1 A 78 78 THR C C 78 173.388 173.862 -0.474 1
1 837 . 11 1 1 A 78 78 THR CA C 78 61.286 61.969 -0.683 1
1 838 . 11 1 1 A 78 78 THR CB C 78 70.432 68.734 1.698 1
1 840 . 11 1 1 A 78 78 THR N N 78 126.547 123.538 3.009 1
1 841 . 11 1 1 A 79 79 CYS H H 79 8.807 8.237 0.570 1
1 842 . 11 1 1 A 79 79 CYS HA H 79 4.410 4.575 -0.165 1
1 845 . 11 1 1 A 79 79 CYS C C 79 172.501 173.602 -1.101 1
1 846 . 11 1 1 A 79 79 CYS CA C 79 58.141 57.077 1.064 1
1 847 . 11 1 1 A 79 79 CYS CB C 79 28.102 27.441 0.661 1
1 848 . 11 1 1 A 79 79 CYS N N 79 125.160 125.890 -0.730 1
1 849 . 11 1 1 A 80 80 LEU H H 80 8.417 8.272 0.145 1
1 850 . 11 1 1 A 80 80 LEU HA H 80 4.377 4.441 -0.064 1
1 860 . 11 1 1 A 80 80 LEU C C 80 175.846 175.711 0.135 1
1 861 . 11 1 1 A 80 80 LEU CA C 80 54.400 53.985 0.415 1
1 862 . 11 1 1 A 80 80 LEU CB C 80 41.520 41.494 0.026 1
1 866 . 11 1 1 A 80 80 LEU N N 80 123.584 126.356 -2.772 1
1 867 . 11 1 1 A 81 81 TYR H H 81 8.090 8.508 -0.418 1
1 868 . 11 1 1 A 81 81 TYR HA H 81 5.085 4.610 0.475 1
1 875 . 11 1 1 A 81 81 TYR C C 81 175.341 176.239 -0.898 1
1 876 . 11 1 1 A 81 81 TYR CA C 81 55.561 57.403 -1.842 1
1 877 . 11 1 1 A 81 81 TYR CB C 81 36.792 38.519 -1.727 1
1 882 . 11 1 1 A 81 81 TYR N N 81 123.717 125.094 -1.377 1
1 883 . 11 1 1 A 82 82 PRO HA H 82 4.358 4.450 -0.092 1
1 890 . 11 1 1 A 82 82 PRO CA C 82 64.469 64.665 -0.196 1
1 891 . 11 1 1 A 82 82 PRO CB C 82 31.395 31.944 -0.549 1
1 894 . 11 1 1 A 83 83 GLY HA2 H 83 4.164 4.076 0.088 1
1 895 . 11 1 1 A 83 83 GLY HA3 H 83 3.880 4.078 -0.198 1
1 896 . 11 1 1 A 83 83 GLY C C 83 174.832 173.579 1.253 1
1 897 . 11 1 1 A 83 83 GLY CA C 83 45.437 44.738 0.699 1
1 898 . 11 1 1 A 84 84 GLY H H 84 7.641 8.232 -0.591 1
1 899 . 11 1 1 A 84 84 GLY HA2 H 84 4.581 4.228 0.353 1
1 900 . 11 1 1 A 84 84 GLY HA3 H 84 3.788 4.241 -0.453 1
1 901 . 11 1 1 A 84 84 GLY C C 84 174.354 173.656 0.698 1
1 902 . 11 1 1 A 84 84 GLY CA C 84 44.801 44.855 -0.054 1
1 903 . 11 1 1 A 84 84 GLY N N 84 107.816 111.090 -3.274 1
1 904 . 11 1 1 A 85 85 GLY H H 85 8.303 8.403 -0.100 1
1 905 . 11 1 1 A 85 85 GLY HA2 H 85 4.322 4.159 0.163 1
1 906 . 11 1 1 A 85 85 GLY HA3 H 85 4.113 4.195 -0.082 1
1 907 . 11 1 1 A 85 85 GLY C C 85 172.757 171.389 1.368 1
1 908 . 11 1 1 A 85 85 GLY CA C 85 44.602 44.835 -0.233 1
1 909 . 11 1 1 A 85 85 GLY N N 85 108.998 111.415 -2.417 1
1 910 . 11 1 1 A 86 86 SER H H 86 8.361 8.455 -0.094 1
1 911 . 11 1 1 A 86 86 SER HA H 86 5.024 4.879 0.145 1
1 914 . 11 1 1 A 86 86 SER C C 86 173.484 171.816 1.668 1
1 915 . 11 1 1 A 86 86 SER CA C 86 57.738 57.620 0.118 1
1 916 . 11 1 1 A 86 86 SER CB C 86 66.693 65.717 0.976 1
1 917 . 11 1 1 A 86 86 SER N N 86 111.910 113.514 -1.604 1
1 918 . 11 1 1 A 87 87 SER H H 87 8.105 8.399 -0.294 1
1 919 . 11 1 1 A 87 87 SER HA H 87 4.827 5.524 -0.697 1
1 922 . 11 1 1 A 87 87 SER C C 87 173.377 173.163 0.214 1
1 923 . 11 1 1 A 87 87 SER CA C 87 57.737 56.279 1.458 1
1 924 . 11 1 1 A 87 87 SER CB C 87 65.849 66.583 -0.734 1
1 925 . 11 1 1 A 87 87 SER N N 87 112.598 117.384 -4.786 1
1 926 . 11 1 1 A 88 88 THR H H 88 8.778 8.870 -0.092 1
1 927 . 11 1 1 A 88 88 THR HA H 88 5.439 5.048 0.391 1
1 932 . 11 1 1 A 88 88 THR C C 88 173.289 173.167 0.122 1
1 933 . 11 1 1 A 88 88 THR CA C 88 62.083 61.699 0.384 1
1 934 . 11 1 1 A 88 88 THR CB C 88 72.001 71.324 0.677 1
1 936 . 11 1 1 A 88 88 THR N N 88 120.383 117.654 2.729 1
1 937 . 11 1 1 A 89 89 LEU H H 89 8.832 9.074 -0.242 1
1 938 . 11 1 1 A 89 89 LEU HA H 89 4.766 4.990 -0.224 1
1 948 . 11 1 1 A 89 89 LEU C C 89 175.440 175.995 -0.555 1
1 949 . 11 1 1 A 89 89 LEU CA C 89 53.671 53.610 0.061 1
1 950 . 11 1 1 A 89 89 LEU CB C 89 45.972 42.681 3.291 1
1 954 . 11 1 1 A 89 89 LEU N N 89 128.653 128.574 0.079 1
1 955 . 11 1 1 A 90 90 THR H H 90 8.576 8.804 -0.228 1
1 956 . 11 1 1 A 90 90 THR HA H 90 5.622 5.176 0.446 1
1 961 . 11 1 1 A 90 90 THR C C 90 174.307 174.409 -0.102 1
1 962 . 11 1 1 A 90 90 THR CA C 90 60.799 60.892 -0.093 1
1 963 . 11 1 1 A 90 90 THR CB C 90 71.589 70.012 1.577 1
1 965 . 11 1 1 A 90 90 THR N N 90 115.259 117.175 -1.916 1
1 966 . 11 1 1 A 91 91 GLY H H 91 9.071 9.166 -0.095 1
1 967 . 11 1 1 A 91 91 GLY HA2 H 91 4.605 4.528 0.077 1
1 968 . 11 1 1 A 91 91 GLY HA3 H 91 3.960 4.649 -0.689 1
1 969 . 11 1 1 A 91 91 GLY C C 91 170.717 172.057 -1.340 1
1 970 . 11 1 1 A 91 91 GLY CA C 91 45.314 44.874 0.440 1
1 971 . 11 1 1 A 91 91 GLY N N 91 112.300 111.378 0.922 1
1 972 . 11 1 1 A 92 92 ARG H H 92 8.558 8.819 -0.261 1
1 973 . 11 1 1 A 92 92 ARG HA H 92 5.594 5.020 0.574 1
1 980 . 11 1 1 A 92 92 ARG C C 92 173.260 174.975 -1.715 1
1 981 . 11 1 1 A 92 92 ARG CA C 92 54.806 55.672 -0.866 1
1 982 . 11 1 1 A 92 92 ARG CB C 92 34.464 32.117 2.347 1
1 985 . 11 1 1 A 92 92 ARG N N 92 119.774 124.727 -4.953 1
1 986 . 11 1 1 A 93 93 VAL H H 93 8.430 8.473 -0.043 1
1 987 . 11 1 1 A 93 93 VAL HA H 93 4.081 4.355 -0.274 1
1 995 . 11 1 1 A 93 93 VAL C C 93 171.210 173.655 -2.445 1
1 996 . 11 1 1 A 93 93 VAL CA C 93 58.915 59.683 -0.768 1
1 997 . 11 1 1 A 93 93 VAL CB C 93 33.683 35.019 -1.336 1
1 1000 . 11 1 1 A 93 93 VAL N N 93 120.381 119.685 0.696 1
1 1001 . 11 1 1 A 94 94 THR H H 94 8.129 8.543 -0.414 1
1 1002 . 11 1 1 A 94 94 THR HA H 94 5.342 4.842 0.500 1
1 1007 . 11 1 1 A 94 94 THR C C 94 174.637 174.580 0.057 1
1 1008 . 11 1 1 A 94 94 THR CA C 94 60.799 62.214 -1.415 1
1 1009 . 11 1 1 A 94 94 THR CB C 94 70.768 69.360 1.408 1
1 1011 . 11 1 1 A 94 94 THR N N 94 124.645 123.384 1.261 1
1 1012 . 11 1 1 A 95 95 THR H H 95 8.906 8.516 0.390 1
1 1013 . 11 1 1 A 95 95 THR HA H 95 4.115 4.297 -0.182 1
1 1018 . 11 1 1 A 95 95 THR C C 95 175.367 174.453 0.914 1
1 1019 . 11 1 1 A 95 95 THR CA C 95 60.909 62.365 -1.456 1
1 1020 . 11 1 1 A 95 95 THR CB C 95 70.346 69.743 0.603 1
1 1022 . 11 1 1 A 95 95 THR N N 95 116.835 120.580 -3.745 1
1 1023 . 11 1 1 A 96 96 LYS H H 96 7.372 8.430 -1.058 1
1 1024 . 11 1 1 A 96 96 LYS HA H 96 4.189 4.341 -0.152 1
1 1033 . 11 1 1 A 96 96 LYS C C 96 176.308 177.493 -1.185 1
1 1034 . 11 1 1 A 96 96 LYS CA C 96 55.207 56.416 -1.209 1
1 1035 . 11 1 1 A 96 96 LYS CB C 96 34.095 33.193 0.902 1
1 1039 . 11 1 1 A 96 96 LYS N N 96 116.829 123.657 -6.828 1
1 1040 . 11 1 1 A 97 97 LYS H H 97 8.113 8.420 -0.307 1
1 1041 . 11 1 1 A 97 97 LYS HA H 97 4.356 4.315 0.041 1
1 1050 . 11 1 1 A 97 97 LYS C C 97 176.106 176.711 -0.605 1
1 1051 . 11 1 1 A 97 97 LYS CA C 97 56.260 56.836 -0.576 1
1 1052 . 11 1 1 A 97 97 LYS CB C 97 33.140 33.254 -0.114 1
1 1056 . 11 1 1 A 97 97 LYS N N 97 119.233 121.885 -2.652 1
1 1057 . 11 1 1 A 98 98 ALA H H 98 8.484 8.455 0.029 1
1 1058 . 11 1 1 A 98 98 ALA HA H 98 4.054 4.106 -0.052 1
1 1062 . 11 1 1 A 98 98 ALA C C 98 175.754 177.126 -1.372 1
1 1063 . 11 1 1 A 98 98 ALA CA C 98 50.511 49.869 0.642 1
1 1064 . 11 1 1 A 98 98 ALA CB C 98 17.093 19.097 -2.004 1
1 1065 . 11 1 1 A 98 98 ALA N N 98 126.424 124.171 2.253 1
1 1066 . 11 1 1 A 99 99 PRO HA H 99 4.313 4.301 0.012 1
1 1073 . 11 1 1 A 99 99 PRO C C 99 176.506 175.887 0.619 1
1 1074 . 11 1 1 A 99 99 PRO CA C 99 62.584 64.752 -2.168 1
1 1075 . 11 1 1 A 99 99 PRO CB C 99 32.024 32.006 0.018 1
1 1078 . 11 1 1 A 100 100 SER H H 100 8.377 7.358 1.019 1
1 1079 . 11 1 1 A 100 100 SER HA H 100 4.688 4.958 -0.270 1
1 1082 . 11 1 1 A 100 100 SER CA C 100 56.296 55.411 0.885 1
1 1083 . 11 1 1 A 100 100 SER CB C 100 63.276 65.661 -2.385 1
1 1084 . 11 1 1 A 100 100 SER N N 100 117.700 108.384 9.316 1
1 1086 . 11 1 1 A 103 103 SER HA H 103 4.507 4.909 -0.402 1
1 1089 . 11 1 1 A 103 103 SER CA C 103 58.198 57.930 0.268 1
1 1090 . 11 1 1 A 103 103 SER CB C 103 63.882 64.669 -0.787 1
1 1091 . 11 1 1 A 104 104 GLY H H 104 8.233 8.301 -0.068 1
1 1092 . 11 1 1 A 104 104 GLY HA2 H 104 4.124 4.301 -0.177 1
1 1093 . 11 1 1 A 104 104 GLY HA3 H 104 4.124 4.301 -0.177 1
1 1094 . 11 1 1 A 104 104 GLY CA C 104 44.608 45.466 -0.858 1
1 1095 . 11 1 1 A 104 104 GLY N N 104 110.600 109.645 0.955 1
1 1096 . 11 1 1 A 105 105 PRO HA H 105 4.460 4.658 -0.198 1
1 1103 . 11 1 1 A 105 105 PRO CA C 105 63.264 62.693 0.571 1
1 1104 . 11 1 1 A 105 105 PRO CB C 105 32.094 33.258 -1.164 1
1 1 . 12 1 1 A 6 6 SER HA H 6 4.470 4.171 0.299 1
1 3 . 12 1 1 A 6 6 SER C C 6 175.031 175.207 -0.176 1
1 4 . 12 1 1 A 6 6 SER CA C 6 58.687 59.644 -0.957 1
1 5 . 12 1 1 A 6 6 SER CB C 6 63.635 63.141 0.494 1
1 6 . 12 1 1 A 7 7 GLY H H 7 8.390 8.650 -0.260 1
1 7 . 12 1 1 A 7 7 GLY HA2 H 7 3.941 4.155 -0.214 1
1 8 . 12 1 1 A 7 7 GLY HA3 H 7 3.941 4.155 -0.214 1
1 9 . 12 1 1 A 7 7 GLY C C 7 173.892 174.439 -0.547 1
1 10 . 12 1 1 A 7 7 GLY CA C 7 45.348 45.461 -0.113 1
1 11 . 12 1 1 A 7 7 GLY N N 7 110.659 114.123 -3.464 1
1 12 . 12 1 1 A 8 8 LEU H H 8 8.017 8.129 -0.112 1
1 13 . 12 1 1 A 8 8 LEU HA H 8 4.347 4.870 -0.523 1
1 23 . 12 1 1 A 8 8 LEU C C 8 176.816 174.974 1.842 1
1 24 . 12 1 1 A 8 8 LEU CA C 8 54.760 53.965 0.795 1
1 25 . 12 1 1 A 8 8 LEU CB C 8 42.565 44.086 -1.521 1
1 29 . 12 1 1 A 8 8 LEU N N 8 121.546 123.082 -1.536 1
1 30 . 12 1 1 A 9 9 ALA H H 9 8.291 8.959 -0.668 1
1 31 . 12 1 1 A 9 9 ALA HA H 9 4.589 4.729 -0.140 1
1 35 . 12 1 1 A 9 9 ALA C C 9 174.928 175.455 -0.527 1
1 36 . 12 1 1 A 9 9 ALA CA C 9 50.381 49.283 1.098 1
1 37 . 12 1 1 A 9 9 ALA CB C 9 18.293 20.758 -2.465 1
1 38 . 12 1 1 A 9 9 ALA N N 9 126.618 129.418 -2.800 1
1 39 . 12 1 1 A 10 10 PRO HA H 10 4.708 4.591 0.117 1
1 45 . 12 1 1 A 10 10 PRO CA C 10 61.347 61.754 -0.407 1
1 46 . 12 1 1 A 10 10 PRO CB C 10 30.783 32.286 -1.503 1
1 49 . 12 1 1 A 11 11 PRO HA H 11 4.442 4.375 0.067 1
1 56 . 12 1 1 A 11 11 PRO C C 11 176.585 176.453 0.132 1
1 57 . 12 1 1 A 11 11 PRO CA C 11 63.016 64.784 -1.768 1
1 58 . 12 1 1 A 11 11 PRO CB C 11 32.096 32.296 -0.200 1
1 61 . 12 1 1 A 12 12 ARG H H 12 8.348 7.584 0.764 1
1 62 . 12 1 1 A 12 12 ARG HA H 12 4.405 5.000 -0.595 1
1 69 . 12 1 1 A 12 12 ARG C C 12 175.204 174.771 0.433 1
1 70 . 12 1 1 A 12 12 ARG CA C 12 55.797 54.150 1.647 1
1 71 . 12 1 1 A 12 12 ARG CB C 12 32.052 34.683 -2.631 1
1 74 . 12 1 1 A 12 12 ARG N N 12 120.519 117.645 2.874 1
1 75 . 12 1 1 A 13 13 HIS H H 13 8.296 8.776 -0.480 1
1 76 . 12 1 1 A 13 13 HIS HA H 13 4.815 5.143 -0.328 1
1 81 . 12 1 1 A 13 13 HIS C C 13 174.544 174.888 -0.344 1
1 82 . 12 1 1 A 13 13 HIS CA C 13 55.783 55.220 0.563 1
1 83 . 12 1 1 A 13 13 HIS CB C 13 32.469 32.981 -0.512 1
1 86 . 12 1 1 A 13 13 HIS N N 13 118.569 117.482 1.087 1
1 87 . 12 1 1 A 14 14 LEU H H 14 8.209 8.322 -0.113 1
1 88 . 12 1 1 A 14 14 LEU HA H 14 4.655 5.026 -0.371 1
1 98 . 12 1 1 A 14 14 LEU C C 14 175.977 175.943 0.034 1
1 99 . 12 1 1 A 14 14 LEU CA C 14 53.935 53.162 0.773 1
1 100 . 12 1 1 A 14 14 LEU CB C 14 44.113 44.895 -0.782 1
1 104 . 12 1 1 A 14 14 LEU N N 14 120.625 121.566 -0.941 1
1 105 . 12 1 1 A 15 15 GLY H H 15 7.988 7.536 0.452 1
1 106 . 12 1 1 A 15 15 GLY HA2 H 15 4.008 3.391 0.617 1
1 107 . 12 1 1 A 15 15 GLY HA3 H 15 2.486 4.010 -1.524 1
1 108 . 12 1 1 A 15 15 GLY C C 15 170.056 171.003 -0.947 1
1 109 . 12 1 1 A 15 15 GLY CA C 15 43.188 44.095 -0.907 1
1 110 . 12 1 1 A 15 15 GLY N N 15 111.142 108.149 2.993 1
1 111 . 12 1 1 A 16 16 PHE H H 16 8.078 8.554 -0.476 1
1 112 . 12 1 1 A 16 16 PHE HA H 16 5.830 5.263 0.567 1
1 120 . 12 1 1 A 16 16 PHE C C 16 175.968 175.087 0.881 1
1 121 . 12 1 1 A 16 16 PHE CA C 16 56.048 56.276 -0.228 1
1 122 . 12 1 1 A 16 16 PHE CB C 16 43.353 41.263 2.090 1
1 128 . 12 1 1 A 16 16 PHE N N 16 114.388 121.410 -7.022 1
1 129 . 12 1 1 A 17 17 SER H H 17 9.811 8.406 1.405 1
1 130 . 12 1 1 A 17 17 SER HA H 17 4.883 5.086 -0.203 1
1 133 . 12 1 1 A 17 17 SER C C 17 171.638 173.462 -1.824 1
1 134 . 12 1 1 A 17 17 SER CA C 17 57.073 56.102 0.971 1
1 135 . 12 1 1 A 17 17 SER CB C 17 66.893 66.581 0.312 1
1 136 . 12 1 1 A 17 17 SER N N 17 118.688 116.580 2.108 1
1 137 . 12 1 1 A 18 18 ASP H H 18 9.001 9.000 0.001 1
1 138 . 12 1 1 A 18 18 ASP HA H 18 4.171 4.227 -0.056 1
1 141 . 12 1 1 A 18 18 ASP C C 18 174.520 175.225 -0.705 1
1 142 . 12 1 1 A 18 18 ASP CA C 18 55.333 55.122 0.211 1
1 143 . 12 1 1 A 18 18 ASP CB C 18 40.075 40.346 -0.271 1
1 144 . 12 1 1 A 18 18 ASP N N 18 116.878 120.556 -3.678 1
1 145 . 12 1 1 A 19 19 VAL H H 19 8.202 7.997 0.205 1
1 146 . 12 1 1 A 19 19 VAL HA H 19 4.169 4.033 0.136 1
1 154 . 12 1 1 A 19 19 VAL C C 19 176.641 175.606 1.035 1
1 155 . 12 1 1 A 19 19 VAL CA C 19 63.962 63.508 0.454 1
1 156 . 12 1 1 A 19 19 VAL CB C 19 31.236 31.480 -0.244 1
1 159 . 12 1 1 A 19 19 VAL N N 19 117.253 120.308 -3.055 1
1 160 . 12 1 1 A 20 20 SER H H 20 9.066 8.996 0.070 1
1 161 . 12 1 1 A 20 20 SER HA H 20 5.061 4.940 0.121 1
1 164 . 12 1 1 A 20 20 SER C C 20 174.081 174.925 -0.844 1
1 165 . 12 1 1 A 20 20 SER CA C 20 55.582 57.211 -1.629 1
1 166 . 12 1 1 A 20 20 SER CB C 20 65.090 66.387 -1.297 1
1 167 . 12 1 1 A 20 20 SER N N 20 126.686 120.145 6.541 1
1 168 . 12 1 1 A 21 21 HIS H H 21 8.635 8.303 0.332 1
1 169 . 12 1 1 A 21 21 HIS HA H 21 4.895 4.722 0.173 1
1 174 . 12 1 1 A 21 21 HIS C C 21 175.242 174.971 0.271 1
1 175 . 12 1 1 A 21 21 HIS CA C 21 56.934 56.708 0.226 1
1 176 . 12 1 1 A 21 21 HIS CB C 21 30.651 29.839 0.812 1
1 179 . 12 1 1 A 21 21 HIS N N 21 117.241 120.914 -3.673 1
1 180 . 12 1 1 A 22 22 ASP H H 22 7.400 7.906 -0.506 1
1 181 . 12 1 1 A 22 22 ASP HA H 22 4.803 5.120 -0.317 1
1 184 . 12 1 1 A 22 22 ASP C C 22 176.754 174.851 1.903 1
1 185 . 12 1 1 A 22 22 ASP CA C 22 52.316 53.142 -0.826 1
1 186 . 12 1 1 A 22 22 ASP CB C 22 41.697 41.961 -0.264 1
1 187 . 12 1 1 A 22 22 ASP N N 22 115.766 119.495 -3.729 1
1 188 . 12 1 1 A 23 23 ALA H H 23 7.379 7.448 -0.069 1
1 189 . 12 1 1 A 23 23 ALA HA H 23 4.753 4.560 0.193 1
1 193 . 12 1 1 A 23 23 ALA C C 23 174.757 175.085 -0.328 1
1 194 . 12 1 1 A 23 23 ALA CA C 23 51.613 51.582 0.031 1
1 195 . 12 1 1 A 23 23 ALA CB C 23 22.882 22.416 0.466 1
1 196 . 12 1 1 A 23 23 ALA N N 23 122.521 119.949 2.572 1
1 197 . 12 1 1 A 24 24 ALA H H 24 7.745 8.189 -0.444 1
1 198 . 12 1 1 A 24 24 ALA HA H 24 4.593 4.905 -0.312 1
1 202 . 12 1 1 A 24 24 ALA C C 24 173.662 175.289 -1.627 1
1 203 . 12 1 1 A 24 24 ALA CA C 24 52.233 51.899 0.334 1
1 204 . 12 1 1 A 24 24 ALA CB C 24 22.894 22.169 0.725 1
1 205 . 12 1 1 A 24 24 ALA N N 24 115.485 120.032 -4.547 1
1 206 . 12 1 1 A 25 25 ARG H H 25 8.690 8.733 -0.043 1
1 207 . 12 1 1 A 25 25 ARG HA H 25 5.209 4.851 0.358 1
1 214 . 12 1 1 A 25 25 ARG C C 25 174.777 174.960 -0.183 1
1 215 . 12 1 1 A 25 25 ARG CA C 25 55.161 55.356 -0.195 1
1 216 . 12 1 1 A 25 25 ARG CB C 25 32.329 31.591 0.738 1
1 219 . 12 1 1 A 25 25 ARG N N 25 122.853 123.732 -0.879 1
1 220 . 12 1 1 A 26 26 VAL H H 26 8.865 8.918 -0.053 1
1 221 . 12 1 1 A 26 26 VAL HA H 26 5.120 4.915 0.205 1
1 229 . 12 1 1 A 26 26 VAL C C 26 172.428 174.827 -2.399 1
1 230 . 12 1 1 A 26 26 VAL CA C 26 57.420 59.811 -2.391 1
1 231 . 12 1 1 A 26 26 VAL CB C 26 34.734 34.368 0.366 1
1 234 . 12 1 1 A 26 26 VAL N N 26 125.534 126.939 -1.405 1
1 235 . 12 1 1 A 27 27 PHE H H 27 8.520 8.462 0.058 1
1 236 . 12 1 1 A 27 27 PHE HA H 27 5.039 5.252 -0.213 1
1 244 . 12 1 1 A 27 27 PHE C C 27 172.979 173.021 -0.042 1
1 245 . 12 1 1 A 27 27 PHE CA C 27 56.293 54.777 1.516 1
1 246 . 12 1 1 A 27 27 PHE CB C 27 42.190 42.499 -0.309 1
1 252 . 12 1 1 A 27 27 PHE N N 27 123.552 123.960 -0.408 1
1 253 . 12 1 1 A 28 28 TRP H H 28 7.813 7.736 0.077 1
1 254 . 12 1 1 A 28 28 TRP HA H 28 5.058 5.537 -0.479 1
1 263 . 12 1 1 A 28 28 TRP C C 28 174.131 176.101 -1.970 1
1 264 . 12 1 1 A 28 28 TRP CA C 28 55.730 54.394 1.336 1
1 265 . 12 1 1 A 28 28 TRP CB C 28 30.997 32.658 -1.661 1
1 271 . 12 1 1 A 28 28 TRP N N 28 116.968 119.139 -2.171 1
1 273 . 12 1 1 A 29 29 GLU H H 29 8.362 9.276 -0.914 1
1 274 . 12 1 1 A 29 29 GLU HA H 29 4.356 4.541 -0.185 1
1 279 . 12 1 1 A 29 29 GLU C C 29 177.125 176.991 0.134 1
1 280 . 12 1 1 A 29 29 GLU CA C 29 55.820 56.359 -0.539 1
1 281 . 12 1 1 A 29 29 GLU CB C 29 31.085 30.206 0.879 1
1 283 . 12 1 1 A 29 29 GLU N N 29 119.239 117.366 1.873 1
1 284 . 12 1 1 A 30 30 GLY H H 30 8.729 8.345 0.384 1
1 285 . 12 1 1 A 30 30 GLY HA2 H 30 4.051 4.213 -0.162 1
1 286 . 12 1 1 A 30 30 GLY HA3 H 30 3.781 4.400 -0.619 1
1 287 . 12 1 1 A 30 30 GLY C C 30 173.621 173.011 0.610 1
1 288 . 12 1 1 A 30 30 GLY CA C 30 45.559 44.992 0.567 1
1 289 . 12 1 1 A 30 30 GLY N N 30 110.979 108.024 2.955 1
1 290 . 12 1 1 A 31 31 ALA H H 31 8.747 8.363 0.384 1
1 291 . 12 1 1 A 31 31 ALA HA H 31 4.577 4.891 -0.314 1
1 295 . 12 1 1 A 31 31 ALA C C 31 177.064 177.751 -0.687 1
1 296 . 12 1 1 A 31 31 ALA CA C 31 50.416 50.350 0.066 1
1 297 . 12 1 1 A 31 31 ALA CB C 31 19.221 19.809 -0.588 1
1 298 . 12 1 1 A 31 31 ALA N N 31 126.357 123.389 2.968 1
1 299 . 12 1 1 A 32 32 PRO HA H 32 4.630 4.500 0.130 1
1 306 . 12 1 1 A 32 32 PRO C C 32 175.001 175.177 -0.176 1
1 307 . 12 1 1 A 32 32 PRO CA C 32 63.368 64.026 -0.658 1
1 308 . 12 1 1 A 32 32 PRO CB C 32 30.738 31.662 -0.924 1
1 311 . 12 1 1 A 33 33 ARG H H 33 7.418 7.304 0.114 1
1 312 . 12 1 1 A 33 33 ARG HA H 33 4.746 4.912 -0.166 1
1 319 . 12 1 1 A 33 33 ARG C C 33 172.695 174.275 -1.580 1
1 320 . 12 1 1 A 33 33 ARG CA C 33 53.205 53.526 -0.321 1
1 321 . 12 1 1 A 33 33 ARG CB C 33 30.414 32.287 -1.873 1
1 324 . 12 1 1 A 33 33 ARG N N 33 117.994 114.359 3.635 1
1 325 . 12 1 1 A 34 34 PRO HA H 34 4.273 4.739 -0.466 1
1 332 . 12 1 1 A 34 34 PRO C C 34 175.342 176.261 -0.919 1
1 333 . 12 1 1 A 34 34 PRO CA C 34 64.037 62.651 1.386 1
1 334 . 12 1 1 A 34 34 PRO CB C 34 32.581 32.529 0.052 1
1 337 . 12 1 1 A 35 35 VAL H H 35 8.264 8.695 -0.431 1
1 338 . 12 1 1 A 35 35 VAL HA H 35 4.237 4.792 -0.555 1
1 346 . 12 1 1 A 35 35 VAL C C 35 175.771 176.153 -0.382 1
1 347 . 12 1 1 A 35 35 VAL CA C 35 61.890 60.711 1.179 1
1 348 . 12 1 1 A 35 35 VAL CB C 35 35.092 35.615 -0.523 1
1 351 . 12 1 1 A 35 35 VAL N N 35 122.377 122.580 -0.203 1
1 352 . 12 1 1 A 36 36 ARG H H 36 9.278 8.318 0.960 1
1 353 . 12 1 1 A 36 36 ARG HA H 36 4.426 4.468 -0.042 1
1 360 . 12 1 1 A 36 36 ARG C C 36 175.620 176.075 -0.455 1
1 361 . 12 1 1 A 36 36 ARG CA C 36 57.672 57.237 0.435 1
1 362 . 12 1 1 A 36 36 ARG CB C 36 31.595 31.432 0.163 1
1 365 . 12 1 1 A 36 36 ARG N N 36 125.821 123.031 2.790 1
1 366 . 12 1 1 A 37 37 LEU H H 37 7.525 7.094 0.431 1
1 367 . 12 1 1 A 37 37 LEU HA H 37 4.403 4.846 -0.443 1
1 377 . 12 1 1 A 37 37 LEU C C 37 172.405 174.383 -1.978 1
1 378 . 12 1 1 A 37 37 LEU CA C 37 54.913 53.801 1.112 1
1 379 . 12 1 1 A 37 37 LEU CB C 37 46.166 45.585 0.581 1
1 383 . 12 1 1 A 37 37 LEU N N 37 119.761 119.327 0.434 1
1 384 . 12 1 1 A 38 38 VAL H H 38 8.513 8.423 0.090 1
1 385 . 12 1 1 A 38 38 VAL HA H 38 4.790 4.672 0.118 1
1 393 . 12 1 1 A 38 38 VAL C C 38 174.595 174.532 0.063 1
1 394 . 12 1 1 A 38 38 VAL CA C 38 60.992 61.603 -0.611 1
1 395 . 12 1 1 A 38 38 VAL CB C 38 33.979 34.587 -0.608 1
1 398 . 12 1 1 A 38 38 VAL N N 38 123.604 123.504 0.100 1
1 399 . 12 1 1 A 39 39 ARG H H 39 9.025 8.821 0.204 1
1 400 . 12 1 1 A 39 39 ARG HA H 39 4.839 4.983 -0.144 1
1 407 . 12 1 1 A 39 39 ARG C C 39 174.581 175.383 -0.802 1
1 408 . 12 1 1 A 39 39 ARG CA C 39 55.150 54.952 0.198 1
1 409 . 12 1 1 A 39 39 ARG CB C 39 32.919 32.464 0.455 1
1 412 . 12 1 1 A 39 39 ARG N N 39 126.442 126.967 -0.525 1
1 413 . 12 1 1 A 40 40 VAL H H 40 9.059 9.211 -0.152 1
1 414 . 12 1 1 A 40 40 VAL HA H 40 5.177 5.216 -0.039 1
1 422 . 12 1 1 A 40 40 VAL C C 40 175.508 175.086 0.422 1
1 423 . 12 1 1 A 40 40 VAL CA C 40 60.513 61.282 -0.769 1
1 424 . 12 1 1 A 40 40 VAL CB C 40 33.390 34.304 -0.914 1
1 427 . 12 1 1 A 40 40 VAL N N 40 127.219 123.851 3.368 1
1 428 . 12 1 1 A 41 41 THR H H 41 9.244 9.071 0.173 1
1 429 . 12 1 1 A 41 41 THR HA H 41 5.056 5.662 -0.606 1
1 434 . 12 1 1 A 41 41 THR C C 41 173.323 173.682 -0.359 1
1 435 . 12 1 1 A 41 41 THR CA C 41 59.618 60.559 -0.941 1
1 436 . 12 1 1 A 41 41 THR CB C 41 71.668 70.843 0.825 1
1 438 . 12 1 1 A 41 41 THR N N 41 117.579 120.168 -2.589 1
1 439 . 12 1 1 A 42 42 TYR H H 42 7.955 8.289 -0.334 1
1 440 . 12 1 1 A 42 42 TYR HA H 42 5.825 6.086 -0.261 1
1 447 . 12 1 1 A 42 42 TYR C C 42 173.794 173.550 0.244 1
1 448 . 12 1 1 A 42 42 TYR CA C 42 54.314 55.212 -0.898 1
1 449 . 12 1 1 A 42 42 TYR CB C 42 39.788 42.259 -2.471 1
1 454 . 12 1 1 A 42 42 TYR N N 42 117.304 120.307 -3.003 1
1 455 . 12 1 1 A 43 43 VAL H H 43 8.547 8.566 -0.019 1
1 456 . 12 1 1 A 43 43 VAL HA H 43 5.069 4.753 0.316 1
1 464 . 12 1 1 A 43 43 VAL C C 43 174.912 174.429 0.483 1
1 465 . 12 1 1 A 43 43 VAL CA C 43 60.142 60.542 -0.400 1
1 466 . 12 1 1 A 43 43 VAL CB C 43 35.329 35.391 -0.062 1
1 469 . 12 1 1 A 43 43 VAL N N 43 119.038 121.188 -2.150 1
1 470 . 12 1 1 A 44 44 SER H H 44 9.123 8.258 0.865 1
1 471 . 12 1 1 A 44 44 SER HA H 44 4.307 2.806 1.501 1
1 474 . 12 1 1 A 44 44 SER C C 44 176.777 175.257 1.520 1
1 475 . 12 1 1 A 44 44 SER CA C 44 57.838 58.000 -0.162 1
1 476 . 12 1 1 A 44 44 SER CB C 44 64.064 63.696 0.368 1
1 477 . 12 1 1 A 44 44 SER N N 44 124.942 122.333 2.609 1
1 478 . 12 1 1 A 45 45 SER H H 45 8.562 8.294 0.268 1
1 479 . 12 1 1 A 45 45 SER HA H 45 4.175 4.093 0.082 1
1 482 . 12 1 1 A 45 45 SER C C 45 175.366 174.035 1.331 1
1 483 . 12 1 1 A 45 45 SER CA C 45 61.239 61.279 -0.040 1
1 484 . 12 1 1 A 45 45 SER CB C 45 62.976 62.945 0.031 1
1 485 . 12 1 1 A 45 45 SER N N 45 119.157 118.717 0.440 1
1 486 . 12 1 1 A 46 46 GLU H H 46 8.321 7.872 0.449 1
1 487 . 12 1 1 A 46 46 GLU HA H 46 4.442 4.587 -0.145 1
1 492 . 12 1 1 A 46 46 GLU C C 46 177.463 176.720 0.743 1
1 493 . 12 1 1 A 46 46 GLU CA C 46 56.409 55.564 0.845 1
1 494 . 12 1 1 A 46 46 GLU CB C 46 29.633 30.984 -1.351 1
1 496 . 12 1 1 A 46 46 GLU N N 46 119.112 119.741 -0.629 1
1 497 . 12 1 1 A 47 47 GLY H H 47 8.129 8.455 -0.326 1
1 498 . 12 1 1 A 47 47 GLY HA2 H 47 4.150 3.879 0.271 1
1 499 . 12 1 1 A 47 47 GLY HA3 H 47 3.646 3.894 -0.248 1
1 500 . 12 1 1 A 47 47 GLY C C 47 175.047 174.588 0.459 1
1 501 . 12 1 1 A 47 47 GLY CA C 47 45.400 46.711 -1.311 1
1 502 . 12 1 1 A 47 47 GLY N N 47 109.344 111.630 -2.286 1
1 503 . 12 1 1 A 48 48 GLY H H 48 7.927 8.290 -0.363 1
1 504 . 12 1 1 A 48 48 GLY HA2 H 48 3.982 4.202 -0.220 1
1 505 . 12 1 1 A 48 48 GLY HA3 H 48 3.855 4.213 -0.358 1
1 506 . 12 1 1 A 48 48 GLY C C 48 173.614 172.232 1.382 1
1 507 . 12 1 1 A 48 48 GLY CA C 48 46.073 46.517 -0.444 1
1 508 . 12 1 1 A 48 48 GLY N N 48 107.840 111.137 -3.297 1
1 509 . 12 1 1 A 49 49 HIS H H 49 7.985 8.293 -0.308 1
1 510 . 12 1 1 A 49 49 HIS HA H 49 4.951 4.633 0.318 1
1 515 . 12 1 1 A 49 49 HIS C C 49 173.760 174.102 -0.342 1
1 516 . 12 1 1 A 49 49 HIS CA C 49 56.608 56.809 -0.201 1
1 517 . 12 1 1 A 49 49 HIS CB C 49 33.119 30.012 3.107 1
1 520 . 12 1 1 A 49 49 HIS N N 49 120.577 124.187 -3.610 1
1 521 . 12 1 1 A 50 50 SER H H 50 8.118 8.543 -0.425 1
1 522 . 12 1 1 A 50 50 SER HA H 50 5.184 4.841 0.343 1
1 525 . 12 1 1 A 50 50 SER C C 50 172.582 172.300 0.282 1
1 526 . 12 1 1 A 50 50 SER CA C 50 56.463 56.737 -0.274 1
1 527 . 12 1 1 A 50 50 SER CB C 50 66.423 66.516 -0.093 1
1 528 . 12 1 1 A 50 50 SER N N 50 120.879 120.189 0.690 1
1 529 . 12 1 1 A 51 51 GLY H H 51 7.900 7.684 0.216 1
1 530 . 12 1 1 A 51 51 GLY HA2 H 51 4.027 3.773 0.254 1
1 531 . 12 1 1 A 51 51 GLY HA3 H 51 3.236 4.164 -0.928 1
1 532 . 12 1 1 A 51 51 GLY C C 51 171.073 172.007 -0.934 1
1 533 . 12 1 1 A 51 51 GLY CA C 51 44.696 44.456 0.240 1
1 534 . 12 1 1 A 51 51 GLY N N 51 108.215 106.631 1.584 1
1 535 . 12 1 1 A 52 52 GLN H H 52 8.256 8.392 -0.136 1
1 536 . 12 1 1 A 52 52 GLN HA H 52 5.308 5.282 0.026 1
1 543 . 12 1 1 A 52 52 GLN C C 52 174.217 173.492 0.725 1
1 544 . 12 1 1 A 52 52 GLN CA C 52 54.516 55.152 -0.636 1
1 545 . 12 1 1 A 52 52 GLN CB C 52 32.541 32.090 0.451 1
1 547 . 12 1 1 A 52 52 GLN N N 52 115.667 119.382 -3.715 1
1 549 . 12 1 1 A 53 53 THR H H 53 9.298 9.371 -0.073 1
1 550 . 12 1 1 A 53 53 THR HA H 53 4.753 5.260 -0.507 1
1 555 . 12 1 1 A 53 53 THR C C 53 171.720 172.828 -1.108 1
1 556 . 12 1 1 A 53 53 THR CA C 53 60.869 59.777 1.092 1
1 557 . 12 1 1 A 53 53 THR CB C 53 70.580 72.185 -1.605 1
1 559 . 12 1 1 A 53 53 THR N N 53 117.486 121.173 -3.687 1
1 560 . 12 1 1 A 54 54 GLU H H 54 8.404 8.663 -0.259 1
1 561 . 12 1 1 A 54 54 GLU HA H 54 5.378 5.087 0.291 1
1 566 . 12 1 1 A 54 54 GLU C C 54 174.705 175.788 -1.083 1
1 567 . 12 1 1 A 54 54 GLU CA C 54 54.693 54.937 -0.244 1
1 568 . 12 1 1 A 54 54 GLU CB C 54 33.434 32.906 0.528 1
1 570 . 12 1 1 A 54 54 GLU N N 54 123.651 126.328 -2.677 1
1 571 . 12 1 1 A 55 55 ALA H H 55 9.471 8.909 0.562 1
1 572 . 12 1 1 A 55 55 ALA HA H 55 5.056 4.994 0.062 1
1 576 . 12 1 1 A 55 55 ALA C C 55 172.938 174.127 -1.189 1
1 577 . 12 1 1 A 55 55 ALA CA C 55 49.216 49.923 -0.707 1
1 578 . 12 1 1 A 55 55 ALA CB C 55 20.410 22.363 -1.953 1
1 579 . 12 1 1 A 55 55 ALA N N 55 126.815 123.524 3.291 1
1 580 . 12 1 1 A 56 56 PRO HA H 56 4.630 4.586 0.044 1
1 587 . 12 1 1 A 56 56 PRO C C 56 176.935 178.208 -1.273 1
1 588 . 12 1 1 A 56 56 PRO CA C 56 62.303 62.800 -0.497 1
1 589 . 12 1 1 A 56 56 PRO CB C 56 32.745 32.778 -0.033 1
1 592 . 12 1 1 A 57 57 GLY H H 57 8.240 8.688 -0.448 1
1 593 . 12 1 1 A 57 57 GLY HA2 H 57 3.839 3.885 -0.046 1
1 594 . 12 1 1 A 57 57 GLY HA3 H 57 3.547 3.894 -0.347 1
1 595 . 12 1 1 A 57 57 GLY C C 57 173.839 175.019 -1.180 1
1 596 . 12 1 1 A 57 57 GLY CA C 57 47.092 46.658 0.434 1
1 597 . 12 1 1 A 57 57 GLY N N 57 104.338 110.570 -6.232 1
1 598 . 12 1 1 A 58 58 ASN H H 58 7.935 7.997 -0.062 1
1 599 . 12 1 1 A 58 58 ASN HA H 58 4.778 4.862 -0.084 1
1 604 . 12 1 1 A 58 58 ASN C C 58 175.578 175.746 -0.168 1
1 605 . 12 1 1 A 58 58 ASN CA C 58 52.176 54.008 -1.832 1
1 606 . 12 1 1 A 58 58 ASN CB C 58 37.384 39.287 -1.903 1
1 607 . 12 1 1 A 58 58 ASN N N 58 114.653 116.888 -2.235 1
1 609 . 12 1 1 A 59 59 ALA H H 59 8.041 7.862 0.179 1
1 610 . 12 1 1 A 59 59 ALA HA H 59 4.360 4.243 0.117 1
1 614 . 12 1 1 A 59 59 ALA C C 59 177.738 178.415 -0.677 1
1 615 . 12 1 1 A 59 59 ALA CA C 59 52.792 52.925 -0.133 1
1 616 . 12 1 1 A 59 59 ALA CB C 59 20.834 19.287 1.547 1
1 617 . 12 1 1 A 59 59 ALA N N 59 124.183 121.686 2.497 1
1 618 . 12 1 1 A 60 60 THR H H 60 8.274 8.732 -0.458 1
1 619 . 12 1 1 A 60 60 THR HA H 60 3.299 4.286 -0.987 1
1 624 . 12 1 1 A 60 60 THR C C 60 171.681 173.001 -1.320 1
1 625 . 12 1 1 A 60 60 THR CA C 60 59.732 60.603 -0.871 1
1 626 . 12 1 1 A 60 60 THR CB C 60 69.010 68.790 0.220 1
1 628 . 12 1 1 A 60 60 THR N N 60 108.095 113.444 -5.349 1
1 629 . 12 1 1 A 61 61 SER H H 61 6.728 7.429 -0.701 1
1 630 . 12 1 1 A 61 61 SER HA H 61 4.584 4.288 0.296 1
1 633 . 12 1 1 A 61 61 SER C C 61 172.948 172.521 0.427 1
1 634 . 12 1 1 A 61 61 SER CA C 61 57.403 57.258 0.145 1
1 635 . 12 1 1 A 61 61 SER CB C 61 65.767 65.146 0.621 1
1 636 . 12 1 1 A 61 61 SER N N 61 110.991 113.371 -2.380 1
1 637 . 12 1 1 A 62 62 ALA H H 62 8.954 8.321 0.633 1
1 638 . 12 1 1 A 62 62 ALA HA H 62 4.581 5.081 -0.500 1
1 642 . 12 1 1 A 62 62 ALA C C 62 174.741 176.239 -1.498 1
1 643 . 12 1 1 A 62 62 ALA CA C 62 51.949 51.292 0.657 1
1 644 . 12 1 1 A 62 62 ALA CB C 62 21.659 23.342 -1.683 1
1 645 . 12 1 1 A 62 62 ALA N N 62 119.306 122.570 -3.264 1
1 646 . 12 1 1 A 63 63 MET H H 63 8.599 8.601 -0.002 1
1 647 . 12 1 1 A 63 63 MET HA H 63 4.993 5.102 -0.109 1
1 655 . 12 1 1 A 63 63 MET C C 63 175.386 175.114 0.272 1
1 656 . 12 1 1 A 63 63 MET CA C 63 53.760 53.802 -0.042 1
1 657 . 12 1 1 A 63 63 MET CB C 63 31.842 34.134 -2.292 1
1 660 . 12 1 1 A 63 63 MET N N 63 120.537 119.676 0.861 1
1 661 . 12 1 1 A 64 64 LEU H H 64 9.244 8.614 0.630 1
1 662 . 12 1 1 A 64 64 LEU HA H 64 4.494 5.025 -0.531 1
1 672 . 12 1 1 A 64 64 LEU C C 64 175.976 175.837 0.139 1
1 673 . 12 1 1 A 64 64 LEU CA C 64 52.988 53.031 -0.043 1
1 674 . 12 1 1 A 64 64 LEU CB C 64 42.785 44.935 -2.150 1
1 678 . 12 1 1 A 64 64 LEU N N 64 124.823 123.217 1.606 1
1 679 . 12 1 1 A 65 65 GLY H H 65 7.516 7.997 -0.481 1
1 680 . 12 1 1 A 65 65 GLY HA2 H 65 4.505 4.023 0.482 1
1 681 . 12 1 1 A 65 65 GLY HA3 H 65 3.237 4.048 -0.811 1
1 682 . 12 1 1 A 65 65 GLY C C 65 170.608 172.047 -1.439 1
1 683 . 12 1 1 A 65 65 GLY CA C 65 44.505 44.624 -0.119 1
1 684 . 12 1 1 A 65 65 GLY N N 65 106.855 108.791 -1.936 1
1 685 . 12 1 1 A 66 66 PRO HA H 66 4.626 4.815 -0.189 1
1 692 . 12 1 1 A 66 66 PRO C C 66 176.262 176.321 -0.059 1
1 693 . 12 1 1 A 66 66 PRO CA C 66 62.542 62.859 -0.317 1
1 694 . 12 1 1 A 66 66 PRO CB C 66 34.107 32.206 1.901 1
1 697 . 12 1 1 A 67 67 LEU H H 67 8.487 8.816 -0.329 1
1 698 . 12 1 1 A 67 67 LEU HA H 67 4.586 4.827 -0.241 1
1 708 . 12 1 1 A 67 67 LEU C C 67 176.158 175.579 0.579 1
1 709 . 12 1 1 A 67 67 LEU CA C 67 52.335 53.082 -0.747 1
1 710 . 12 1 1 A 67 67 LEU CB C 67 43.440 43.061 0.379 1
1 714 . 12 1 1 A 67 67 LEU N N 67 124.582 122.690 1.892 1
1 715 . 12 1 1 A 68 68 SER H H 68 8.958 8.359 0.599 1
1 716 . 12 1 1 A 68 68 SER HA H 68 4.529 4.490 0.039 1
1 719 . 12 1 1 A 68 68 SER C C 68 174.360 173.685 0.675 1
1 720 . 12 1 1 A 68 68 SER CA C 68 58.649 57.379 1.270 1
1 721 . 12 1 1 A 68 68 SER CB C 68 64.239 64.813 -0.574 1
1 722 . 12 1 1 A 68 68 SER N N 68 117.670 117.333 0.337 1
1 723 . 12 1 1 A 69 69 SER H H 69 8.511 8.814 -0.303 1
1 724 . 12 1 1 A 69 69 SER HA H 69 5.085 5.231 -0.146 1
1 727 . 12 1 1 A 69 69 SER C C 69 175.660 174.838 0.822 1
1 728 . 12 1 1 A 69 69 SER CA C 69 59.071 57.242 1.829 1
1 729 . 12 1 1 A 69 69 SER CB C 69 64.439 65.620 -1.181 1
1 730 . 12 1 1 A 69 69 SER N N 69 119.760 119.164 0.596 1
1 731 . 12 1 1 A 70 70 SER H H 70 7.974 9.281 -1.307 1
1 732 . 12 1 1 A 70 70 SER HA H 70 3.799 4.423 -0.624 1
1 735 . 12 1 1 A 70 70 SER C C 70 173.645 173.013 0.632 1
1 736 . 12 1 1 A 70 70 SER CA C 70 58.453 59.162 -0.709 1
1 737 . 12 1 1 A 70 70 SER CB C 70 62.477 61.932 0.545 1
1 738 . 12 1 1 A 70 70 SER N N 70 121.170 119.338 1.832 1
1 739 . 12 1 1 A 71 71 THR H H 71 8.325 7.777 0.548 1
1 740 . 12 1 1 A 71 71 THR HA H 71 4.482 4.833 -0.351 1
1 745 . 12 1 1 A 71 71 THR C C 71 171.950 173.595 -1.645 1
1 746 . 12 1 1 A 71 71 THR CA C 71 62.453 61.391 1.062 1
1 747 . 12 1 1 A 71 71 THR CB C 71 72.120 71.681 0.439 1
1 749 . 12 1 1 A 71 71 THR N N 71 115.265 114.550 0.715 1
1 750 . 12 1 1 A 72 72 THR H H 72 8.963 8.892 0.071 1
1 751 . 12 1 1 A 72 72 THR HA H 72 5.044 4.577 0.467 1
1 756 . 12 1 1 A 72 72 THR C C 72 173.198 173.985 -0.787 1
1 757 . 12 1 1 A 72 72 THR CA C 72 62.216 62.847 -0.631 1
1 758 . 12 1 1 A 72 72 THR CB C 72 69.392 69.061 0.331 1
1 760 . 12 1 1 A 72 72 THR N N 72 124.221 121.442 2.779 1
1 761 . 12 1 1 A 73 73 TYR H H 73 9.711 9.475 0.236 1
1 762 . 12 1 1 A 73 73 TYR HA H 73 4.852 5.510 -0.658 1
1 767 . 12 1 1 A 73 73 TYR C C 73 175.854 175.103 0.751 1
1 768 . 12 1 1 A 73 73 TYR CA C 73 57.596 56.519 1.077 1
1 769 . 12 1 1 A 73 73 TYR CB C 73 41.377 40.773 0.604 1
1 774 . 12 1 1 A 73 73 TYR N N 73 126.553 126.230 0.323 1
1 775 . 12 1 1 A 74 74 THR H H 74 8.981 9.327 -0.346 1
1 776 . 12 1 1 A 74 74 THR HA H 74 4.648 4.701 -0.053 1
1 781 . 12 1 1 A 74 74 THR C C 74 174.296 174.243 0.053 1
1 782 . 12 1 1 A 74 74 THR CA C 74 63.156 62.652 0.504 1
1 783 . 12 1 1 A 74 74 THR CB C 74 68.916 68.909 0.007 1
1 785 . 12 1 1 A 74 74 THR N N 74 118.190 119.367 -1.177 1
1 786 . 12 1 1 A 75 75 VAL H H 75 9.376 9.399 -0.023 1
1 787 . 12 1 1 A 75 75 VAL HA H 75 4.951 4.762 0.189 1
1 795 . 12 1 1 A 75 75 VAL C C 75 173.554 175.195 -1.641 1
1 796 . 12 1 1 A 75 75 VAL CA C 75 61.004 61.413 -0.409 1
1 797 . 12 1 1 A 75 75 VAL CB C 75 34.541 33.300 1.241 1
1 800 . 12 1 1 A 75 75 VAL N N 75 130.973 128.394 2.579 1
1 801 . 12 1 1 A 76 76 ARG H H 76 9.023 8.884 0.139 1
1 802 . 12 1 1 A 76 76 ARG HA H 76 5.218 5.380 -0.162 1
1 809 . 12 1 1 A 76 76 ARG C C 76 175.034 174.784 0.250 1
1 810 . 12 1 1 A 76 76 ARG CA C 76 54.501 54.438 0.063 1
1 811 . 12 1 1 A 76 76 ARG CB C 76 32.621 33.258 -0.637 1
1 814 . 12 1 1 A 76 76 ARG N N 76 126.030 124.284 1.746 1
1 815 . 12 1 1 A 77 77 VAL H H 77 9.155 9.257 -0.102 1
1 816 . 12 1 1 A 77 77 VAL HA H 77 4.165 4.208 -0.043 1
1 824 . 12 1 1 A 77 77 VAL C C 77 174.967 175.274 -0.307 1
1 825 . 12 1 1 A 77 77 VAL CA C 77 61.626 61.833 -0.207 1
1 826 . 12 1 1 A 77 77 VAL CB C 77 33.367 30.443 2.924 1
1 829 . 12 1 1 A 77 77 VAL N N 77 125.903 124.716 1.187 1
1 830 . 12 1 1 A 78 78 THR H H 78 9.313 9.050 0.263 1
1 831 . 12 1 1 A 78 78 THR HA H 78 5.121 4.541 0.580 1
1 836 . 12 1 1 A 78 78 THR C C 78 173.388 173.894 -0.506 1
1 837 . 12 1 1 A 78 78 THR CA C 78 61.286 63.526 -2.240 1
1 838 . 12 1 1 A 78 78 THR CB C 78 70.432 68.864 1.568 1
1 840 . 12 1 1 A 78 78 THR N N 78 126.547 123.009 3.538 1
1 841 . 12 1 1 A 79 79 CYS H H 79 8.807 8.897 -0.090 1
1 842 . 12 1 1 A 79 79 CYS HA H 79 4.410 4.756 -0.346 1
1 845 . 12 1 1 A 79 79 CYS C C 79 172.501 173.101 -0.600 1
1 846 . 12 1 1 A 79 79 CYS CA C 79 58.141 57.247 0.894 1
1 847 . 12 1 1 A 79 79 CYS CB C 79 28.102 27.557 0.545 1
1 848 . 12 1 1 A 79 79 CYS N N 79 125.160 126.092 -0.932 1
1 849 . 12 1 1 A 80 80 LEU H H 80 8.417 7.921 0.496 1
1 850 . 12 1 1 A 80 80 LEU HA H 80 4.377 4.430 -0.053 1
1 860 . 12 1 1 A 80 80 LEU C C 80 175.846 175.778 0.068 1
1 861 . 12 1 1 A 80 80 LEU CA C 80 54.400 54.008 0.392 1
1 862 . 12 1 1 A 80 80 LEU CB C 80 41.520 42.179 -0.659 1
1 866 . 12 1 1 A 80 80 LEU N N 80 123.584 127.321 -3.737 1
1 867 . 12 1 1 A 81 81 TYR H H 81 8.090 8.534 -0.444 1
1 868 . 12 1 1 A 81 81 TYR HA H 81 5.085 4.814 0.271 1
1 875 . 12 1 1 A 81 81 TYR C C 81 175.341 174.367 0.974 1
1 876 . 12 1 1 A 81 81 TYR CA C 81 55.561 56.162 -0.601 1
1 877 . 12 1 1 A 81 81 TYR CB C 81 36.792 39.101 -2.309 1
1 882 . 12 1 1 A 81 81 TYR N N 81 123.717 124.689 -0.972 1
1 883 . 12 1 1 A 82 82 PRO HA H 82 4.358 4.401 -0.043 1
1 890 . 12 1 1 A 82 82 PRO CA C 82 64.469 63.400 1.069 1
1 891 . 12 1 1 A 82 82 PRO CB C 82 31.395 30.124 1.271 1
1 894 . 12 1 1 A 83 83 GLY HA2 H 83 4.164 3.935 0.229 1
1 895 . 12 1 1 A 83 83 GLY HA3 H 83 3.880 3.936 -0.056 1
1 896 . 12 1 1 A 83 83 GLY C C 83 174.832 176.170 -1.338 1
1 897 . 12 1 1 A 83 83 GLY CA C 83 45.437 45.389 0.048 1
1 898 . 12 1 1 A 84 84 GLY H H 84 7.641 8.108 -0.467 1
1 899 . 12 1 1 A 84 84 GLY HA2 H 84 4.581 3.944 0.637 1
1 900 . 12 1 1 A 84 84 GLY HA3 H 84 3.788 3.947 -0.159 1
1 901 . 12 1 1 A 84 84 GLY C C 84 174.354 174.165 0.189 1
1 902 . 12 1 1 A 84 84 GLY CA C 84 44.801 46.526 -1.725 1
1 903 . 12 1 1 A 84 84 GLY N N 84 107.816 109.339 -1.523 1
1 904 . 12 1 1 A 85 85 GLY H H 85 8.303 7.773 0.530 1
1 905 . 12 1 1 A 85 85 GLY HA2 H 85 4.322 4.155 0.167 1
1 906 . 12 1 1 A 85 85 GLY HA3 H 85 4.113 4.202 -0.089 1
1 907 . 12 1 1 A 85 85 GLY C C 85 172.757 171.412 1.345 1
1 908 . 12 1 1 A 85 85 GLY CA C 85 44.602 45.067 -0.465 1
1 909 . 12 1 1 A 85 85 GLY N N 85 108.998 107.261 1.737 1
1 910 . 12 1 1 A 86 86 SER H H 86 8.361 8.580 -0.219 1
1 911 . 12 1 1 A 86 86 SER HA H 86 5.024 5.058 -0.034 1
1 914 . 12 1 1 A 86 86 SER C C 86 173.484 172.666 0.818 1
1 915 . 12 1 1 A 86 86 SER CA C 86 57.738 57.616 0.122 1
1 916 . 12 1 1 A 86 86 SER CB C 86 66.693 65.753 0.940 1
1 917 . 12 1 1 A 86 86 SER N N 86 111.910 115.579 -3.669 1
1 918 . 12 1 1 A 87 87 SER H H 87 8.105 8.468 -0.363 1
1 919 . 12 1 1 A 87 87 SER HA H 87 4.827 4.931 -0.104 1
1 922 . 12 1 1 A 87 87 SER C C 87 173.377 172.239 1.138 1
1 923 . 12 1 1 A 87 87 SER CA C 87 57.737 57.252 0.485 1
1 924 . 12 1 1 A 87 87 SER CB C 87 65.849 64.902 0.947 1
1 925 . 12 1 1 A 87 87 SER N N 87 112.598 115.682 -3.084 1
1 926 . 12 1 1 A 88 88 THR H H 88 8.778 8.861 -0.083 1
1 927 . 12 1 1 A 88 88 THR HA H 88 5.439 4.898 0.541 1
1 932 . 12 1 1 A 88 88 THR C C 88 173.289 173.133 0.156 1
1 933 . 12 1 1 A 88 88 THR CA C 88 62.083 61.598 0.485 1
1 934 . 12 1 1 A 88 88 THR CB C 88 72.001 71.255 0.746 1
1 936 . 12 1 1 A 88 88 THR N N 88 120.383 118.231 2.152 1
1 937 . 12 1 1 A 89 89 LEU H H 89 8.832 8.832 0.000 1
1 938 . 12 1 1 A 89 89 LEU HA H 89 4.766 4.956 -0.190 1
1 948 . 12 1 1 A 89 89 LEU C C 89 175.440 176.851 -1.411 1
1 949 . 12 1 1 A 89 89 LEU CA C 89 53.671 53.668 0.003 1
1 950 . 12 1 1 A 89 89 LEU CB C 89 45.972 42.243 3.729 1
1 954 . 12 1 1 A 89 89 LEU N N 89 128.653 128.510 0.143 1
1 955 . 12 1 1 A 90 90 THR H H 90 8.576 8.729 -0.153 1
1 956 . 12 1 1 A 90 90 THR HA H 90 5.622 5.336 0.286 1
1 961 . 12 1 1 A 90 90 THR C C 90 174.307 174.472 -0.165 1
1 962 . 12 1 1 A 90 90 THR CA C 90 60.799 60.636 0.163 1
1 963 . 12 1 1 A 90 90 THR CB C 90 71.589 70.501 1.088 1
1 965 . 12 1 1 A 90 90 THR N N 90 115.259 117.401 -2.142 1
1 966 . 12 1 1 A 91 91 GLY H H 91 9.071 9.051 0.020 1
1 967 . 12 1 1 A 91 91 GLY HA2 H 91 4.605 4.412 0.193 1
1 968 . 12 1 1 A 91 91 GLY HA3 H 91 3.960 4.504 -0.544 1
1 969 . 12 1 1 A 91 91 GLY C C 91 170.717 171.997 -1.280 1
1 970 . 12 1 1 A 91 91 GLY CA C 91 45.314 45.351 -0.037 1
1 971 . 12 1 1 A 91 91 GLY N N 91 112.300 109.285 3.015 1
1 972 . 12 1 1 A 92 92 ARG H H 92 8.558 8.795 -0.237 1
1 973 . 12 1 1 A 92 92 ARG HA H 92 5.594 4.784 0.810 1
1 980 . 12 1 1 A 92 92 ARG C C 92 173.260 174.773 -1.513 1
1 981 . 12 1 1 A 92 92 ARG CA C 92 54.806 56.227 -1.421 1
1 982 . 12 1 1 A 92 92 ARG CB C 92 34.464 31.404 3.060 1
1 985 . 12 1 1 A 92 92 ARG N N 92 119.774 124.769 -4.995 1
1 986 . 12 1 1 A 93 93 VAL H H 93 8.430 8.639 -0.209 1
1 987 . 12 1 1 A 93 93 VAL HA H 93 4.081 4.408 -0.327 1
1 995 . 12 1 1 A 93 93 VAL C C 93 171.210 173.437 -2.227 1
1 996 . 12 1 1 A 93 93 VAL CA C 93 58.915 59.726 -0.811 1
1 997 . 12 1 1 A 93 93 VAL CB C 93 33.683 34.040 -0.357 1
1 1000 . 12 1 1 A 93 93 VAL N N 93 120.381 120.116 0.265 1
1 1001 . 12 1 1 A 94 94 THR H H 94 8.129 8.772 -0.643 1
1 1002 . 12 1 1 A 94 94 THR HA H 94 5.342 5.150 0.192 1
1 1007 . 12 1 1 A 94 94 THR C C 94 174.637 174.567 0.070 1
1 1008 . 12 1 1 A 94 94 THR CA C 94 60.799 61.996 -1.197 1
1 1009 . 12 1 1 A 94 94 THR CB C 94 70.768 69.141 1.627 1
1 1011 . 12 1 1 A 94 94 THR N N 94 124.645 124.287 0.358 1
1 1012 . 12 1 1 A 95 95 THR H H 95 8.906 8.770 0.136 1
1 1013 . 12 1 1 A 95 95 THR HA H 95 4.115 4.270 -0.155 1
1 1018 . 12 1 1 A 95 95 THR C C 95 175.367 174.327 1.040 1
1 1019 . 12 1 1 A 95 95 THR CA C 95 60.909 62.080 -1.171 1
1 1020 . 12 1 1 A 95 95 THR CB C 95 70.346 70.128 0.218 1
1 1022 . 12 1 1 A 95 95 THR N N 95 116.835 121.096 -4.261 1
1 1023 . 12 1 1 A 96 96 LYS H H 96 7.372 8.703 -1.331 1
1 1024 . 12 1 1 A 96 96 LYS HA H 96 4.189 4.361 -0.172 1
1 1033 . 12 1 1 A 96 96 LYS C C 96 176.308 177.313 -1.005 1
1 1034 . 12 1 1 A 96 96 LYS CA C 96 55.207 56.181 -0.974 1
1 1035 . 12 1 1 A 96 96 LYS CB C 96 34.095 33.348 0.747 1
1 1039 . 12 1 1 A 96 96 LYS N N 96 116.829 122.348 -5.519 1
1 1040 . 12 1 1 A 97 97 LYS H H 97 8.113 8.572 -0.459 1
1 1041 . 12 1 1 A 97 97 LYS HA H 97 4.356 4.415 -0.059 1
1 1050 . 12 1 1 A 97 97 LYS C C 97 176.106 176.591 -0.485 1
1 1051 . 12 1 1 A 97 97 LYS CA C 97 56.260 56.355 -0.095 1
1 1052 . 12 1 1 A 97 97 LYS CB C 97 33.140 33.228 -0.088 1
1 1056 . 12 1 1 A 97 97 LYS N N 97 119.233 121.600 -2.367 1
1 1057 . 12 1 1 A 98 98 ALA H H 98 8.484 8.514 -0.030 1
1 1058 . 12 1 1 A 98 98 ALA HA H 98 4.054 4.063 -0.009 1
1 1062 . 12 1 1 A 98 98 ALA C C 98 175.754 176.244 -0.490 1
1 1063 . 12 1 1 A 98 98 ALA CA C 98 50.511 50.807 -0.296 1
1 1064 . 12 1 1 A 98 98 ALA CB C 98 17.093 17.815 -0.722 1
1 1065 . 12 1 1 A 98 98 ALA N N 98 126.424 126.202 0.222 1
1 1066 . 12 1 1 A 99 99 PRO HA H 99 4.313 4.555 -0.242 1
1 1073 . 12 1 1 A 99 99 PRO C C 99 176.506 177.476 -0.970 1
1 1074 . 12 1 1 A 99 99 PRO CA C 99 62.584 62.086 0.498 1
1 1075 . 12 1 1 A 99 99 PRO CB C 99 32.024 29.603 2.421 1
1 1078 . 12 1 1 A 100 100 SER H H 100 8.377 8.424 -0.047 1
1 1079 . 12 1 1 A 100 100 SER HA H 100 4.688 4.229 0.459 1
1 1082 . 12 1 1 A 100 100 SER CA C 100 56.296 62.942 -6.646 1
1 1083 . 12 1 1 A 100 100 SER CB C 100 63.276 61.316 1.960 1
1 1084 . 12 1 1 A 100 100 SER N N 100 117.700 119.607 -1.907 1
1 1086 . 12 1 1 A 103 103 SER HA H 103 4.507 5.069 -0.562 1
1 1089 . 12 1 1 A 103 103 SER CA C 103 58.198 56.304 1.894 1
1 1090 . 12 1 1 A 103 103 SER CB C 103 63.882 66.143 -2.261 1
1 1091 . 12 1 1 A 104 104 GLY H H 104 8.233 8.862 -0.629 1
1 1092 . 12 1 1 A 104 104 GLY HA2 H 104 4.124 4.129 -0.005 1
1 1093 . 12 1 1 A 104 104 GLY HA3 H 104 4.124 4.131 -0.007 1
1 1094 . 12 1 1 A 104 104 GLY CA C 104 44.608 45.336 -0.728 1
1 1095 . 12 1 1 A 104 104 GLY N N 104 110.600 112.170 -1.570 1
1 1096 . 12 1 1 A 105 105 PRO HA H 105 4.460 4.647 -0.187 1
1 1103 . 12 1 1 A 105 105 PRO CA C 105 63.264 62.856 0.408 1
1 1104 . 12 1 1 A 105 105 PRO CB C 105 32.094 31.788 0.306 1
1 1 . 13 1 1 A 6 6 SER HA H 6 4.470 4.714 -0.244 1
1 3 . 13 1 1 A 6 6 SER C C 6 175.031 174.501 0.530 1
1 4 . 13 1 1 A 6 6 SER CA C 6 58.687 59.108 -0.421 1
1 5 . 13 1 1 A 6 6 SER CB C 6 63.635 65.241 -1.606 1
1 6 . 13 1 1 A 7 7 GLY H H 7 8.390 7.674 0.716 1
1 7 . 13 1 1 A 7 7 GLY HA2 H 7 3.941 4.058 -0.117 1
1 8 . 13 1 1 A 7 7 GLY HA3 H 7 3.941 4.060 -0.119 1
1 9 . 13 1 1 A 7 7 GLY C C 7 173.892 173.305 0.587 1
1 10 . 13 1 1 A 7 7 GLY CA C 7 45.348 44.969 0.379 1
1 11 . 13 1 1 A 7 7 GLY N N 7 110.659 106.696 3.963 1
1 12 . 13 1 1 A 8 8 LEU H H 8 8.017 8.774 -0.757 1
1 13 . 13 1 1 A 8 8 LEU HA H 8 4.347 4.646 -0.299 1
1 23 . 13 1 1 A 8 8 LEU C C 8 176.816 176.104 0.712 1
1 24 . 13 1 1 A 8 8 LEU CA C 8 54.760 54.012 0.748 1
1 25 . 13 1 1 A 8 8 LEU CB C 8 42.565 42.657 -0.092 1
1 29 . 13 1 1 A 8 8 LEU N N 8 121.546 126.033 -4.487 1
1 30 . 13 1 1 A 9 9 ALA H H 9 8.291 8.531 -0.240 1
1 31 . 13 1 1 A 9 9 ALA HA H 9 4.589 4.491 0.098 1
1 35 . 13 1 1 A 9 9 ALA C C 9 174.928 175.966 -1.038 1
1 36 . 13 1 1 A 9 9 ALA CA C 9 50.381 50.789 -0.408 1
1 37 . 13 1 1 A 9 9 ALA CB C 9 18.293 17.682 0.611 1
1 38 . 13 1 1 A 9 9 ALA N N 9 126.618 126.675 -0.057 1
1 39 . 13 1 1 A 10 10 PRO HA H 10 4.708 4.623 0.085 1
1 45 . 13 1 1 A 10 10 PRO CA C 10 61.347 62.289 -0.942 1
1 46 . 13 1 1 A 10 10 PRO CB C 10 30.783 31.675 -0.892 1
1 49 . 13 1 1 A 11 11 PRO HA H 11 4.442 4.387 0.055 1
1 56 . 13 1 1 A 11 11 PRO C C 11 176.585 176.612 -0.027 1
1 57 . 13 1 1 A 11 11 PRO CA C 11 63.016 65.016 -2.000 1
1 58 . 13 1 1 A 11 11 PRO CB C 11 32.096 32.076 0.020 1
1 61 . 13 1 1 A 12 12 ARG H H 12 8.348 7.648 0.700 1
1 62 . 13 1 1 A 12 12 ARG HA H 12 4.405 4.872 -0.467 1
1 69 . 13 1 1 A 12 12 ARG C C 12 175.204 174.374 0.830 1
1 70 . 13 1 1 A 12 12 ARG CA C 12 55.797 54.005 1.792 1
1 71 . 13 1 1 A 12 12 ARG CB C 12 32.052 35.388 -3.336 1
1 74 . 13 1 1 A 12 12 ARG N N 12 120.519 117.729 2.790 1
1 75 . 13 1 1 A 13 13 HIS H H 13 8.296 8.667 -0.371 1
1 76 . 13 1 1 A 13 13 HIS HA H 13 4.815 5.208 -0.393 1
1 81 . 13 1 1 A 13 13 HIS C C 13 174.544 175.222 -0.678 1
1 82 . 13 1 1 A 13 13 HIS CA C 13 55.783 54.773 1.010 1
1 83 . 13 1 1 A 13 13 HIS CB C 13 32.469 32.513 -0.044 1
1 86 . 13 1 1 A 13 13 HIS N N 13 118.569 116.950 1.619 1
1 87 . 13 1 1 A 14 14 LEU H H 14 8.209 8.553 -0.344 1
1 88 . 13 1 1 A 14 14 LEU HA H 14 4.655 4.733 -0.078 1
1 98 . 13 1 1 A 14 14 LEU C C 14 175.977 176.182 -0.205 1
1 99 . 13 1 1 A 14 14 LEU CA C 14 53.935 53.966 -0.031 1
1 100 . 13 1 1 A 14 14 LEU CB C 14 44.113 43.246 0.867 1
1 104 . 13 1 1 A 14 14 LEU N N 14 120.625 122.308 -1.683 1
1 105 . 13 1 1 A 15 15 GLY H H 15 7.988 8.177 -0.189 1
1 106 . 13 1 1 A 15 15 GLY HA2 H 15 4.008 2.753 1.255 1
1 107 . 13 1 1 A 15 15 GLY HA3 H 15 2.486 3.840 -1.354 1
1 108 . 13 1 1 A 15 15 GLY C C 15 170.056 170.850 -0.794 1
1 109 . 13 1 1 A 15 15 GLY CA C 15 43.188 43.489 -0.301 1
1 110 . 13 1 1 A 15 15 GLY N N 15 111.142 108.288 2.854 1
1 111 . 13 1 1 A 16 16 PHE H H 16 8.078 8.792 -0.714 1
1 112 . 13 1 1 A 16 16 PHE HA H 16 5.830 5.473 0.357 1
1 120 . 13 1 1 A 16 16 PHE C C 16 175.968 174.509 1.459 1
1 121 . 13 1 1 A 16 16 PHE CA C 16 56.048 56.084 -0.036 1
1 122 . 13 1 1 A 16 16 PHE CB C 16 43.353 41.126 2.227 1
1 128 . 13 1 1 A 16 16 PHE N N 16 114.388 123.985 -9.597 1
1 129 . 13 1 1 A 17 17 SER H H 17 9.811 8.737 1.074 1
1 130 . 13 1 1 A 17 17 SER HA H 17 4.883 5.003 -0.120 1
1 133 . 13 1 1 A 17 17 SER C C 17 171.638 172.717 -1.079 1
1 134 . 13 1 1 A 17 17 SER CA C 17 57.073 56.523 0.550 1
1 135 . 13 1 1 A 17 17 SER CB C 17 66.893 66.747 0.146 1
1 136 . 13 1 1 A 17 17 SER N N 17 118.688 117.686 1.002 1
1 137 . 13 1 1 A 18 18 ASP H H 18 9.001 8.782 0.219 1
1 138 . 13 1 1 A 18 18 ASP HA H 18 4.171 4.138 0.033 1
1 141 . 13 1 1 A 18 18 ASP C C 18 174.520 175.512 -0.992 1
1 142 . 13 1 1 A 18 18 ASP CA C 18 55.333 55.097 0.236 1
1 143 . 13 1 1 A 18 18 ASP CB C 18 40.075 39.307 0.768 1
1 144 . 13 1 1 A 18 18 ASP N N 18 116.878 121.554 -4.676 1
1 145 . 13 1 1 A 19 19 VAL H H 19 8.202 7.986 0.216 1
1 146 . 13 1 1 A 19 19 VAL HA H 19 4.169 4.036 0.133 1
1 154 . 13 1 1 A 19 19 VAL C C 19 176.641 175.977 0.664 1
1 155 . 13 1 1 A 19 19 VAL CA C 19 63.962 63.229 0.733 1
1 156 . 13 1 1 A 19 19 VAL CB C 19 31.236 31.498 -0.262 1
1 159 . 13 1 1 A 19 19 VAL N N 19 117.253 119.732 -2.479 1
1 160 . 13 1 1 A 20 20 SER H H 20 9.066 9.015 0.051 1
1 161 . 13 1 1 A 20 20 SER HA H 20 5.061 4.694 0.367 1
1 164 . 13 1 1 A 20 20 SER C C 20 174.081 175.584 -1.503 1
1 165 . 13 1 1 A 20 20 SER CA C 20 55.582 57.065 -1.483 1
1 166 . 13 1 1 A 20 20 SER CB C 20 65.090 65.773 -0.683 1
1 167 . 13 1 1 A 20 20 SER N N 20 126.686 122.833 3.853 1
1 168 . 13 1 1 A 21 21 HIS H H 21 8.635 8.440 0.195 1
1 169 . 13 1 1 A 21 21 HIS HA H 21 4.895 4.707 0.188 1
1 174 . 13 1 1 A 21 21 HIS C C 21 175.242 175.521 -0.279 1
1 175 . 13 1 1 A 21 21 HIS CA C 21 56.934 56.708 0.226 1
1 176 . 13 1 1 A 21 21 HIS CB C 21 30.651 29.968 0.683 1
1 179 . 13 1 1 A 21 21 HIS N N 21 117.241 120.944 -3.703 1
1 180 . 13 1 1 A 22 22 ASP H H 22 7.400 7.735 -0.335 1
1 181 . 13 1 1 A 22 22 ASP HA H 22 4.803 5.018 -0.215 1
1 184 . 13 1 1 A 22 22 ASP C C 22 176.754 174.968 1.786 1
1 185 . 13 1 1 A 22 22 ASP CA C 22 52.316 53.179 -0.863 1
1 186 . 13 1 1 A 22 22 ASP CB C 22 41.697 41.589 0.108 1
1 187 . 13 1 1 A 22 22 ASP N N 22 115.766 115.737 0.029 1
1 188 . 13 1 1 A 23 23 ALA H H 23 7.379 7.474 -0.095 1
1 189 . 13 1 1 A 23 23 ALA HA H 23 4.753 4.531 0.222 1
1 193 . 13 1 1 A 23 23 ALA C C 23 174.757 175.093 -0.336 1
1 194 . 13 1 1 A 23 23 ALA CA C 23 51.613 51.638 -0.025 1
1 195 . 13 1 1 A 23 23 ALA CB C 23 22.882 22.333 0.549 1
1 196 . 13 1 1 A 23 23 ALA N N 23 122.521 119.739 2.782 1
1 197 . 13 1 1 A 24 24 ALA H H 24 7.745 8.037 -0.292 1
1 198 . 13 1 1 A 24 24 ALA HA H 24 4.593 4.869 -0.276 1
1 202 . 13 1 1 A 24 24 ALA C C 24 173.662 175.248 -1.586 1
1 203 . 13 1 1 A 24 24 ALA CA C 24 52.233 51.894 0.339 1
1 204 . 13 1 1 A 24 24 ALA CB C 24 22.894 22.608 0.286 1
1 205 . 13 1 1 A 24 24 ALA N N 24 115.485 120.322 -4.837 1
1 206 . 13 1 1 A 25 25 ARG H H 25 8.690 8.742 -0.052 1
1 207 . 13 1 1 A 25 25 ARG HA H 25 5.209 4.828 0.381 1
1 214 . 13 1 1 A 25 25 ARG C C 25 174.777 175.000 -0.223 1
1 215 . 13 1 1 A 25 25 ARG CA C 25 55.161 55.477 -0.316 1
1 216 . 13 1 1 A 25 25 ARG CB C 25 32.329 31.673 0.656 1
1 219 . 13 1 1 A 25 25 ARG N N 25 122.853 123.686 -0.833 1
1 220 . 13 1 1 A 26 26 VAL H H 26 8.865 9.145 -0.280 1
1 221 . 13 1 1 A 26 26 VAL HA H 26 5.120 4.655 0.465 1
1 229 . 13 1 1 A 26 26 VAL C C 26 172.428 174.848 -2.420 1
1 230 . 13 1 1 A 26 26 VAL CA C 26 57.420 59.996 -2.576 1
1 231 . 13 1 1 A 26 26 VAL CB C 26 34.734 34.103 0.631 1
1 234 . 13 1 1 A 26 26 VAL N N 26 125.534 127.254 -1.720 1
1 235 . 13 1 1 A 27 27 PHE H H 27 8.520 8.838 -0.318 1
1 236 . 13 1 1 A 27 27 PHE HA H 27 5.039 5.296 -0.257 1
1 244 . 13 1 1 A 27 27 PHE C C 27 172.979 172.952 0.027 1
1 245 . 13 1 1 A 27 27 PHE CA C 27 56.293 54.892 1.401 1
1 246 . 13 1 1 A 27 27 PHE CB C 27 42.190 42.161 0.029 1
1 252 . 13 1 1 A 27 27 PHE N N 27 123.552 123.867 -0.315 1
1 253 . 13 1 1 A 28 28 TRP H H 28 7.813 7.725 0.088 1
1 254 . 13 1 1 A 28 28 TRP HA H 28 5.058 5.639 -0.581 1
1 263 . 13 1 1 A 28 28 TRP C C 28 174.131 176.446 -2.315 1
1 264 . 13 1 1 A 28 28 TRP CA C 28 55.730 54.621 1.109 1
1 265 . 13 1 1 A 28 28 TRP CB C 28 30.997 33.172 -2.175 1
1 271 . 13 1 1 A 28 28 TRP N N 28 116.968 119.093 -2.125 1
1 273 . 13 1 1 A 29 29 GLU H H 29 8.362 8.686 -0.324 1
1 274 . 13 1 1 A 29 29 GLU HA H 29 4.356 4.375 -0.019 1
1 279 . 13 1 1 A 29 29 GLU C C 29 177.125 176.850 0.275 1
1 280 . 13 1 1 A 29 29 GLU CA C 29 55.820 56.594 -0.774 1
1 281 . 13 1 1 A 29 29 GLU CB C 29 31.085 30.142 0.943 1
1 283 . 13 1 1 A 29 29 GLU N N 29 119.239 119.169 0.070 1
1 284 . 13 1 1 A 30 30 GLY H H 30 8.729 8.163 0.566 1
1 285 . 13 1 1 A 30 30 GLY HA2 H 30 4.051 4.183 -0.132 1
1 286 . 13 1 1 A 30 30 GLY HA3 H 30 3.781 4.393 -0.612 1
1 287 . 13 1 1 A 30 30 GLY C C 30 173.621 172.777 0.844 1
1 288 . 13 1 1 A 30 30 GLY CA C 30 45.559 45.002 0.557 1
1 289 . 13 1 1 A 30 30 GLY N N 30 110.979 107.892 3.087 1
1 290 . 13 1 1 A 31 31 ALA H H 31 8.747 8.196 0.551 1
1 291 . 13 1 1 A 31 31 ALA HA H 31 4.577 4.863 -0.286 1
1 295 . 13 1 1 A 31 31 ALA C C 31 177.064 177.355 -0.291 1
1 296 . 13 1 1 A 31 31 ALA CA C 31 50.416 49.243 1.173 1
1 297 . 13 1 1 A 31 31 ALA CB C 31 19.221 21.102 -1.881 1
1 298 . 13 1 1 A 31 31 ALA N N 31 126.357 121.802 4.555 1
1 299 . 13 1 1 A 32 32 PRO HA H 32 4.630 4.486 0.144 1
1 306 . 13 1 1 A 32 32 PRO C C 32 175.001 174.929 0.072 1
1 307 . 13 1 1 A 32 32 PRO CA C 32 63.368 63.700 -0.332 1
1 308 . 13 1 1 A 32 32 PRO CB C 32 30.738 31.378 -0.640 1
1 311 . 13 1 1 A 33 33 ARG H H 33 7.418 7.264 0.154 1
1 312 . 13 1 1 A 33 33 ARG HA H 33 4.746 4.831 -0.085 1
1 319 . 13 1 1 A 33 33 ARG C C 33 172.695 173.949 -1.254 1
1 320 . 13 1 1 A 33 33 ARG CA C 33 53.205 53.386 -0.181 1
1 321 . 13 1 1 A 33 33 ARG CB C 33 30.414 32.426 -2.012 1
1 324 . 13 1 1 A 33 33 ARG N N 33 117.994 114.660 3.334 1
1 325 . 13 1 1 A 34 34 PRO HA H 34 4.273 4.687 -0.414 1
1 332 . 13 1 1 A 34 34 PRO C C 34 175.342 176.123 -0.781 1
1 333 . 13 1 1 A 34 34 PRO CA C 34 64.037 62.550 1.487 1
1 334 . 13 1 1 A 34 34 PRO CB C 34 32.581 32.446 0.135 1
1 337 . 13 1 1 A 35 35 VAL H H 35 8.264 8.675 -0.411 1
1 338 . 13 1 1 A 35 35 VAL HA H 35 4.237 4.778 -0.541 1
1 346 . 13 1 1 A 35 35 VAL C C 35 175.771 175.926 -0.155 1
1 347 . 13 1 1 A 35 35 VAL CA C 35 61.890 60.755 1.135 1
1 348 . 13 1 1 A 35 35 VAL CB C 35 35.092 35.352 -0.260 1
1 351 . 13 1 1 A 35 35 VAL N N 35 122.377 122.599 -0.222 1
1 352 . 13 1 1 A 36 36 ARG H H 36 9.278 8.388 0.890 1
1 353 . 13 1 1 A 36 36 ARG HA H 36 4.426 4.604 -0.178 1
1 360 . 13 1 1 A 36 36 ARG C C 36 175.620 176.099 -0.479 1
1 361 . 13 1 1 A 36 36 ARG CA C 36 57.672 56.834 0.838 1
1 362 . 13 1 1 A 36 36 ARG CB C 36 31.595 31.762 -0.167 1
1 365 . 13 1 1 A 36 36 ARG N N 36 125.821 123.338 2.483 1
1 366 . 13 1 1 A 37 37 LEU H H 37 7.525 7.016 0.509 1
1 367 . 13 1 1 A 37 37 LEU HA H 37 4.403 4.747 -0.344 1
1 377 . 13 1 1 A 37 37 LEU C C 37 172.405 174.191 -1.786 1
1 378 . 13 1 1 A 37 37 LEU CA C 37 54.913 54.355 0.558 1
1 379 . 13 1 1 A 37 37 LEU CB C 37 46.166 45.504 0.662 1
1 383 . 13 1 1 A 37 37 LEU N N 37 119.761 119.326 0.435 1
1 384 . 13 1 1 A 38 38 VAL H H 38 8.513 8.668 -0.155 1
1 385 . 13 1 1 A 38 38 VAL HA H 38 4.790 4.912 -0.122 1
1 393 . 13 1 1 A 38 38 VAL C C 38 174.595 174.389 0.206 1
1 394 . 13 1 1 A 38 38 VAL CA C 38 60.992 60.740 0.252 1
1 395 . 13 1 1 A 38 38 VAL CB C 38 33.979 34.974 -0.995 1
1 398 . 13 1 1 A 38 38 VAL N N 38 123.604 125.095 -1.491 1
1 399 . 13 1 1 A 39 39 ARG H H 39 9.025 9.252 -0.227 1
1 400 . 13 1 1 A 39 39 ARG HA H 39 4.839 4.964 -0.125 1
1 407 . 13 1 1 A 39 39 ARG C C 39 174.581 174.434 0.147 1
1 408 . 13 1 1 A 39 39 ARG CA C 39 55.150 54.641 0.509 1
1 409 . 13 1 1 A 39 39 ARG CB C 39 32.919 32.411 0.508 1
1 412 . 13 1 1 A 39 39 ARG N N 39 126.442 128.468 -2.026 1
1 413 . 13 1 1 A 40 40 VAL H H 40 9.059 9.227 -0.168 1
1 414 . 13 1 1 A 40 40 VAL HA H 40 5.177 5.132 0.045 1
1 422 . 13 1 1 A 40 40 VAL C C 40 175.508 175.159 0.349 1
1 423 . 13 1 1 A 40 40 VAL CA C 40 60.513 61.298 -0.785 1
1 424 . 13 1 1 A 40 40 VAL CB C 40 33.390 33.424 -0.034 1
1 427 . 13 1 1 A 40 40 VAL N N 40 127.219 126.972 0.247 1
1 428 . 13 1 1 A 41 41 THR H H 41 9.244 9.026 0.218 1
1 429 . 13 1 1 A 41 41 THR HA H 41 5.056 5.187 -0.131 1
1 434 . 13 1 1 A 41 41 THR C C 41 173.323 172.964 0.359 1
1 435 . 13 1 1 A 41 41 THR CA C 41 59.618 60.536 -0.918 1
1 436 . 13 1 1 A 41 41 THR CB C 41 71.668 71.401 0.267 1
1 438 . 13 1 1 A 41 41 THR N N 41 117.579 118.146 -0.567 1
1 439 . 13 1 1 A 42 42 TYR H H 42 7.955 8.096 -0.141 1
1 440 . 13 1 1 A 42 42 TYR HA H 42 5.825 6.172 -0.347 1
1 447 . 13 1 1 A 42 42 TYR C C 42 173.794 173.606 0.188 1
1 448 . 13 1 1 A 42 42 TYR CA C 42 54.314 55.150 -0.836 1
1 449 . 13 1 1 A 42 42 TYR CB C 42 39.788 42.351 -2.563 1
1 454 . 13 1 1 A 42 42 TYR N N 42 117.304 119.151 -1.847 1
1 455 . 13 1 1 A 43 43 VAL H H 43 8.547 8.831 -0.284 1
1 456 . 13 1 1 A 43 43 VAL HA H 43 5.069 4.827 0.242 1
1 464 . 13 1 1 A 43 43 VAL C C 43 174.912 174.076 0.836 1
1 465 . 13 1 1 A 43 43 VAL CA C 43 60.142 60.607 -0.465 1
1 466 . 13 1 1 A 43 43 VAL CB C 43 35.329 35.234 0.095 1
1 469 . 13 1 1 A 43 43 VAL N N 43 119.038 121.098 -2.060 1
1 470 . 13 1 1 A 44 44 SER H H 44 9.123 8.451 0.672 1
1 471 . 13 1 1 A 44 44 SER HA H 44 4.307 3.152 1.155 1
1 474 . 13 1 1 A 44 44 SER C C 44 176.777 175.038 1.739 1
1 475 . 13 1 1 A 44 44 SER CA C 44 57.838 57.063 0.775 1
1 476 . 13 1 1 A 44 44 SER CB C 44 64.064 64.655 -0.591 1
1 477 . 13 1 1 A 44 44 SER N N 44 124.942 120.152 4.790 1
1 478 . 13 1 1 A 45 45 SER H H 45 8.562 8.300 0.262 1
1 479 . 13 1 1 A 45 45 SER HA H 45 4.175 4.006 0.169 1
1 482 . 13 1 1 A 45 45 SER C C 45 175.366 175.068 0.298 1
1 483 . 13 1 1 A 45 45 SER CA C 45 61.239 61.314 -0.075 1
1 484 . 13 1 1 A 45 45 SER CB C 45 62.976 62.799 0.177 1
1 485 . 13 1 1 A 45 45 SER N N 45 119.157 117.591 1.566 1
1 486 . 13 1 1 A 46 46 GLU H H 46 8.321 7.974 0.347 1
1 487 . 13 1 1 A 46 46 GLU HA H 46 4.442 4.267 0.175 1
1 492 . 13 1 1 A 46 46 GLU C C 46 177.463 176.788 0.675 1
1 493 . 13 1 1 A 46 46 GLU CA C 46 56.409 55.471 0.938 1
1 494 . 13 1 1 A 46 46 GLU CB C 46 29.633 28.876 0.757 1
1 496 . 13 1 1 A 46 46 GLU N N 46 119.112 115.239 3.873 1
1 497 . 13 1 1 A 47 47 GLY H H 47 8.129 7.710 0.419 1
1 498 . 13 1 1 A 47 47 GLY HA2 H 47 4.150 3.974 0.176 1
1 499 . 13 1 1 A 47 47 GLY HA3 H 47 3.646 3.989 -0.343 1
1 500 . 13 1 1 A 47 47 GLY C C 47 175.047 174.207 0.840 1
1 501 . 13 1 1 A 47 47 GLY CA C 47 45.400 44.785 0.615 1
1 502 . 13 1 1 A 47 47 GLY N N 47 109.344 110.309 -0.965 1
1 503 . 13 1 1 A 48 48 GLY H H 48 7.927 8.570 -0.643 1
1 504 . 13 1 1 A 48 48 GLY HA2 H 48 3.982 3.953 0.029 1
1 505 . 13 1 1 A 48 48 GLY HA3 H 48 3.855 3.965 -0.110 1
1 506 . 13 1 1 A 48 48 GLY C C 48 173.614 173.992 -0.378 1
1 507 . 13 1 1 A 48 48 GLY CA C 48 46.073 45.895 0.178 1
1 508 . 13 1 1 A 48 48 GLY N N 48 107.840 109.750 -1.910 1
1 509 . 13 1 1 A 49 49 HIS H H 49 7.985 8.355 -0.370 1
1 510 . 13 1 1 A 49 49 HIS HA H 49 4.951 4.619 0.332 1
1 515 . 13 1 1 A 49 49 HIS C C 49 173.760 173.875 -0.115 1
1 516 . 13 1 1 A 49 49 HIS CA C 49 56.608 56.577 0.031 1
1 517 . 13 1 1 A 49 49 HIS CB C 49 33.119 30.071 3.048 1
1 520 . 13 1 1 A 49 49 HIS N N 49 120.577 125.549 -4.972 1
1 521 . 13 1 1 A 50 50 SER H H 50 8.118 8.571 -0.453 1
1 522 . 13 1 1 A 50 50 SER HA H 50 5.184 4.978 0.206 1
1 525 . 13 1 1 A 50 50 SER C C 50 172.582 172.964 -0.382 1
1 526 . 13 1 1 A 50 50 SER CA C 50 56.463 56.410 0.053 1
1 527 . 13 1 1 A 50 50 SER CB C 50 66.423 65.969 0.454 1
1 528 . 13 1 1 A 50 50 SER N N 50 120.879 119.631 1.248 1
1 529 . 13 1 1 A 51 51 GLY H H 51 7.900 7.876 0.024 1
1 530 . 13 1 1 A 51 51 GLY HA2 H 51 4.027 3.674 0.353 1
1 531 . 13 1 1 A 51 51 GLY HA3 H 51 3.236 4.147 -0.911 1
1 532 . 13 1 1 A 51 51 GLY C C 51 171.073 172.111 -1.038 1
1 533 . 13 1 1 A 51 51 GLY CA C 51 44.696 44.276 0.420 1
1 534 . 13 1 1 A 51 51 GLY N N 51 108.215 108.686 -0.471 1
1 535 . 13 1 1 A 52 52 GLN H H 52 8.256 8.465 -0.209 1
1 536 . 13 1 1 A 52 52 GLN HA H 52 5.308 5.311 -0.003 1
1 543 . 13 1 1 A 52 52 GLN C C 52 174.217 173.546 0.671 1
1 544 . 13 1 1 A 52 52 GLN CA C 52 54.516 55.204 -0.688 1
1 545 . 13 1 1 A 52 52 GLN CB C 52 32.541 32.429 0.112 1
1 547 . 13 1 1 A 52 52 GLN N N 52 115.667 119.171 -3.504 1
1 549 . 13 1 1 A 53 53 THR H H 53 9.298 9.202 0.096 1
1 550 . 13 1 1 A 53 53 THR HA H 53 4.753 5.231 -0.478 1
1 555 . 13 1 1 A 53 53 THR C C 53 171.720 172.598 -0.878 1
1 556 . 13 1 1 A 53 53 THR CA C 53 60.869 60.178 0.691 1
1 557 . 13 1 1 A 53 53 THR CB C 53 70.580 71.762 -1.182 1
1 559 . 13 1 1 A 53 53 THR N N 53 117.486 120.472 -2.986 1
1 560 . 13 1 1 A 54 54 GLU H H 54 8.404 8.721 -0.317 1
1 561 . 13 1 1 A 54 54 GLU HA H 54 5.378 5.338 0.040 1
1 566 . 13 1 1 A 54 54 GLU C C 54 174.705 175.738 -1.033 1
1 567 . 13 1 1 A 54 54 GLU CA C 54 54.693 54.975 -0.282 1
1 568 . 13 1 1 A 54 54 GLU CB C 54 33.434 32.534 0.900 1
1 570 . 13 1 1 A 54 54 GLU N N 54 123.651 126.869 -3.218 1
1 571 . 13 1 1 A 55 55 ALA H H 55 9.471 8.742 0.729 1
1 572 . 13 1 1 A 55 55 ALA HA H 55 5.056 4.915 0.141 1
1 576 . 13 1 1 A 55 55 ALA C C 55 172.938 174.051 -1.113 1
1 577 . 13 1 1 A 55 55 ALA CA C 55 49.216 49.947 -0.731 1
1 578 . 13 1 1 A 55 55 ALA CB C 55 20.410 21.920 -1.510 1
1 579 . 13 1 1 A 55 55 ALA N N 55 126.815 123.238 3.577 1
1 580 . 13 1 1 A 56 56 PRO HA H 56 4.630 4.592 0.038 1
1 587 . 13 1 1 A 56 56 PRO C C 56 176.935 177.818 -0.883 1
1 588 . 13 1 1 A 56 56 PRO CA C 56 62.303 62.633 -0.330 1
1 589 . 13 1 1 A 56 56 PRO CB C 56 32.745 32.707 0.038 1
1 592 . 13 1 1 A 57 57 GLY H H 57 8.240 8.707 -0.467 1
1 593 . 13 1 1 A 57 57 GLY HA2 H 57 3.839 3.909 -0.070 1
1 594 . 13 1 1 A 57 57 GLY HA3 H 57 3.547 3.938 -0.391 1
1 595 . 13 1 1 A 57 57 GLY C C 57 173.839 175.391 -1.552 1
1 596 . 13 1 1 A 57 57 GLY CA C 57 47.092 46.684 0.408 1
1 597 . 13 1 1 A 57 57 GLY N N 57 104.338 110.053 -5.715 1
1 598 . 13 1 1 A 58 58 ASN H H 58 7.935 7.934 0.001 1
1 599 . 13 1 1 A 58 58 ASN HA H 58 4.778 4.660 0.118 1
1 604 . 13 1 1 A 58 58 ASN C C 58 175.578 175.861 -0.283 1
1 605 . 13 1 1 A 58 58 ASN CA C 58 52.176 55.043 -2.867 1
1 606 . 13 1 1 A 58 58 ASN CB C 58 37.384 39.041 -1.657 1
1 607 . 13 1 1 A 58 58 ASN N N 58 114.653 119.129 -4.476 1
1 609 . 13 1 1 A 59 59 ALA H H 59 8.041 7.787 0.254 1
1 610 . 13 1 1 A 59 59 ALA HA H 59 4.360 4.208 0.152 1
1 614 . 13 1 1 A 59 59 ALA C C 59 177.738 178.156 -0.418 1
1 615 . 13 1 1 A 59 59 ALA CA C 59 52.792 52.648 0.144 1
1 616 . 13 1 1 A 59 59 ALA CB C 59 20.834 19.039 1.795 1
1 617 . 13 1 1 A 59 59 ALA N N 59 124.183 121.878 2.305 1
1 618 . 13 1 1 A 60 60 THR H H 60 8.274 8.663 -0.389 1
1 619 . 13 1 1 A 60 60 THR HA H 60 3.299 3.978 -0.679 1
1 624 . 13 1 1 A 60 60 THR C C 60 171.681 173.026 -1.345 1
1 625 . 13 1 1 A 60 60 THR CA C 60 59.732 60.318 -0.586 1
1 626 . 13 1 1 A 60 60 THR CB C 60 69.010 68.515 0.495 1
1 628 . 13 1 1 A 60 60 THR N N 60 108.095 113.258 -5.163 1
1 629 . 13 1 1 A 61 61 SER H H 61 6.728 7.371 -0.643 1
1 630 . 13 1 1 A 61 61 SER HA H 61 4.584 4.432 0.152 1
1 633 . 13 1 1 A 61 61 SER C C 61 172.948 172.461 0.487 1
1 634 . 13 1 1 A 61 61 SER CA C 61 57.403 57.317 0.086 1
1 635 . 13 1 1 A 61 61 SER CB C 61 65.767 65.320 0.447 1
1 636 . 13 1 1 A 61 61 SER N N 61 110.991 113.323 -2.332 1
1 637 . 13 1 1 A 62 62 ALA H H 62 8.954 8.259 0.695 1
1 638 . 13 1 1 A 62 62 ALA HA H 62 4.581 5.119 -0.538 1
1 642 . 13 1 1 A 62 62 ALA C C 62 174.741 176.065 -1.324 1
1 643 . 13 1 1 A 62 62 ALA CA C 62 51.949 51.103 0.846 1
1 644 . 13 1 1 A 62 62 ALA CB C 62 21.659 23.199 -1.540 1
1 645 . 13 1 1 A 62 62 ALA N N 62 119.306 122.954 -3.648 1
1 646 . 13 1 1 A 63 63 MET H H 63 8.599 8.496 0.103 1
1 647 . 13 1 1 A 63 63 MET HA H 63 4.993 4.998 -0.005 1
1 655 . 13 1 1 A 63 63 MET C C 63 175.386 175.305 0.081 1
1 656 . 13 1 1 A 63 63 MET CA C 63 53.760 54.387 -0.627 1
1 657 . 13 1 1 A 63 63 MET CB C 63 31.842 34.082 -2.240 1
1 660 . 13 1 1 A 63 63 MET N N 63 120.537 119.916 0.621 1
1 661 . 13 1 1 A 64 64 LEU H H 64 9.244 8.271 0.973 1
1 662 . 13 1 1 A 64 64 LEU HA H 64 4.494 4.999 -0.505 1
1 672 . 13 1 1 A 64 64 LEU C C 64 175.976 175.609 0.367 1
1 673 . 13 1 1 A 64 64 LEU CA C 64 52.988 53.027 -0.039 1
1 674 . 13 1 1 A 64 64 LEU CB C 64 42.785 45.295 -2.510 1
1 678 . 13 1 1 A 64 64 LEU N N 64 124.823 121.494 3.329 1
1 679 . 13 1 1 A 65 65 GLY H H 65 7.516 8.143 -0.627 1
1 680 . 13 1 1 A 65 65 GLY HA2 H 65 4.505 4.069 0.436 1
1 681 . 13 1 1 A 65 65 GLY HA3 H 65 3.237 4.083 -0.846 1
1 682 . 13 1 1 A 65 65 GLY C C 65 170.608 172.122 -1.514 1
1 683 . 13 1 1 A 65 65 GLY CA C 65 44.505 44.515 -0.010 1
1 684 . 13 1 1 A 65 65 GLY N N 65 106.855 108.831 -1.976 1
1 685 . 13 1 1 A 66 66 PRO HA H 66 4.626 4.654 -0.028 1
1 692 . 13 1 1 A 66 66 PRO C C 66 176.262 176.526 -0.264 1
1 693 . 13 1 1 A 66 66 PRO CA C 66 62.542 62.893 -0.351 1
1 694 . 13 1 1 A 66 66 PRO CB C 66 34.107 31.974 2.133 1
1 697 . 13 1 1 A 67 67 LEU H H 67 8.487 8.517 -0.030 1
1 698 . 13 1 1 A 67 67 LEU HA H 67 4.586 4.823 -0.237 1
1 708 . 13 1 1 A 67 67 LEU C C 67 176.158 176.604 -0.446 1
1 709 . 13 1 1 A 67 67 LEU CA C 67 52.335 53.301 -0.966 1
1 710 . 13 1 1 A 67 67 LEU CB C 67 43.440 43.011 0.429 1
1 714 . 13 1 1 A 67 67 LEU N N 67 124.582 123.313 1.269 1
1 715 . 13 1 1 A 68 68 SER H H 68 8.958 8.478 0.480 1
1 716 . 13 1 1 A 68 68 SER HA H 68 4.529 5.062 -0.533 1
1 719 . 13 1 1 A 68 68 SER C C 68 174.360 174.324 0.036 1
1 720 . 13 1 1 A 68 68 SER CA C 68 58.649 56.980 1.669 1
1 721 . 13 1 1 A 68 68 SER CB C 68 64.239 65.551 -1.312 1
1 722 . 13 1 1 A 68 68 SER N N 68 117.670 113.647 4.023 1
1 723 . 13 1 1 A 69 69 SER H H 69 8.511 8.658 -0.147 1
1 724 . 13 1 1 A 69 69 SER HA H 69 5.085 5.232 -0.147 1
1 727 . 13 1 1 A 69 69 SER C C 69 175.660 174.054 1.606 1
1 728 . 13 1 1 A 69 69 SER CA C 69 59.071 56.439 2.632 1
1 729 . 13 1 1 A 69 69 SER CB C 69 64.439 65.889 -1.450 1
1 730 . 13 1 1 A 69 69 SER N N 69 119.760 114.623 5.137 1
1 731 . 13 1 1 A 70 70 SER H H 70 7.974 8.740 -0.766 1
1 732 . 13 1 1 A 70 70 SER HA H 70 3.799 4.116 -0.317 1
1 735 . 13 1 1 A 70 70 SER C C 70 173.645 173.040 0.605 1
1 736 . 13 1 1 A 70 70 SER CA C 70 58.453 59.168 -0.715 1
1 737 . 13 1 1 A 70 70 SER CB C 70 62.477 61.891 0.586 1
1 738 . 13 1 1 A 70 70 SER N N 70 121.170 115.972 5.198 1
1 739 . 13 1 1 A 71 71 THR H H 71 8.325 7.638 0.687 1
1 740 . 13 1 1 A 71 71 THR HA H 71 4.482 4.737 -0.255 1
1 745 . 13 1 1 A 71 71 THR C C 71 171.950 173.561 -1.611 1
1 746 . 13 1 1 A 71 71 THR CA C 71 62.453 61.734 0.719 1
1 747 . 13 1 1 A 71 71 THR CB C 71 72.120 71.375 0.745 1
1 749 . 13 1 1 A 71 71 THR N N 71 115.265 114.956 0.309 1
1 750 . 13 1 1 A 72 72 THR H H 72 8.963 8.823 0.140 1
1 751 . 13 1 1 A 72 72 THR HA H 72 5.044 4.631 0.413 1
1 756 . 13 1 1 A 72 72 THR C C 72 173.198 173.768 -0.570 1
1 757 . 13 1 1 A 72 72 THR CA C 72 62.216 63.047 -0.831 1
1 758 . 13 1 1 A 72 72 THR CB C 72 69.392 68.864 0.528 1
1 760 . 13 1 1 A 72 72 THR N N 72 124.221 122.000 2.221 1
1 761 . 13 1 1 A 73 73 TYR H H 73 9.711 8.681 1.030 1
1 762 . 13 1 1 A 73 73 TYR HA H 73 4.852 5.384 -0.532 1
1 767 . 13 1 1 A 73 73 TYR C C 73 175.854 175.057 0.797 1
1 768 . 13 1 1 A 73 73 TYR CA C 73 57.596 56.246 1.350 1
1 769 . 13 1 1 A 73 73 TYR CB C 73 41.377 41.443 -0.066 1
1 774 . 13 1 1 A 73 73 TYR N N 73 126.553 126.060 0.493 1
1 775 . 13 1 1 A 74 74 THR H H 74 8.981 9.296 -0.315 1
1 776 . 13 1 1 A 74 74 THR HA H 74 4.648 4.684 -0.036 1
1 781 . 13 1 1 A 74 74 THR C C 74 174.296 174.293 0.003 1
1 782 . 13 1 1 A 74 74 THR CA C 74 63.156 62.686 0.470 1
1 783 . 13 1 1 A 74 74 THR CB C 74 68.916 69.132 -0.216 1
1 785 . 13 1 1 A 74 74 THR N N 74 118.190 119.174 -0.984 1
1 786 . 13 1 1 A 75 75 VAL H H 75 9.376 8.761 0.615 1
1 787 . 13 1 1 A 75 75 VAL HA H 75 4.951 4.824 0.127 1
1 795 . 13 1 1 A 75 75 VAL C C 75 173.554 175.519 -1.965 1
1 796 . 13 1 1 A 75 75 VAL CA C 75 61.004 61.551 -0.547 1
1 797 . 13 1 1 A 75 75 VAL CB C 75 34.541 33.606 0.935 1
1 800 . 13 1 1 A 75 75 VAL N N 75 130.973 128.629 2.344 1
1 801 . 13 1 1 A 76 76 ARG H H 76 9.023 9.055 -0.032 1
1 802 . 13 1 1 A 76 76 ARG HA H 76 5.218 5.041 0.177 1
1 809 . 13 1 1 A 76 76 ARG C C 76 175.034 175.101 -0.067 1
1 810 . 13 1 1 A 76 76 ARG CA C 76 54.501 54.404 0.097 1
1 811 . 13 1 1 A 76 76 ARG CB C 76 32.621 32.709 -0.088 1
1 814 . 13 1 1 A 76 76 ARG N N 76 126.030 124.596 1.434 1
1 815 . 13 1 1 A 77 77 VAL H H 77 9.155 9.319 -0.164 1
1 816 . 13 1 1 A 77 77 VAL HA H 77 4.165 4.270 -0.105 1
1 824 . 13 1 1 A 77 77 VAL C C 77 174.967 174.960 0.007 1
1 825 . 13 1 1 A 77 77 VAL CA C 77 61.626 61.696 -0.070 1
1 826 . 13 1 1 A 77 77 VAL CB C 77 33.367 31.319 2.048 1
1 829 . 13 1 1 A 77 77 VAL N N 77 125.903 124.768 1.135 1
1 830 . 13 1 1 A 78 78 THR H H 78 9.313 8.931 0.382 1
1 831 . 13 1 1 A 78 78 THR HA H 78 5.121 4.837 0.284 1
1 836 . 13 1 1 A 78 78 THR C C 78 173.388 173.626 -0.238 1
1 837 . 13 1 1 A 78 78 THR CA C 78 61.286 62.139 -0.853 1
1 838 . 13 1 1 A 78 78 THR CB C 78 70.432 69.152 1.280 1
1 840 . 13 1 1 A 78 78 THR N N 78 126.547 123.517 3.030 1
1 841 . 13 1 1 A 79 79 CYS H H 79 8.807 8.589 0.218 1
1 842 . 13 1 1 A 79 79 CYS HA H 79 4.410 4.701 -0.291 1
1 845 . 13 1 1 A 79 79 CYS C C 79 172.501 173.464 -0.963 1
1 846 . 13 1 1 A 79 79 CYS CA C 79 58.141 57.182 0.959 1
1 847 . 13 1 1 A 79 79 CYS CB C 79 28.102 27.261 0.841 1
1 848 . 13 1 1 A 79 79 CYS N N 79 125.160 125.994 -0.834 1
1 849 . 13 1 1 A 80 80 LEU H H 80 8.417 8.049 0.368 1
1 850 . 13 1 1 A 80 80 LEU HA H 80 4.377 4.304 0.073 1
1 860 . 13 1 1 A 80 80 LEU C C 80 175.846 175.960 -0.114 1
1 861 . 13 1 1 A 80 80 LEU CA C 80 54.400 54.523 -0.123 1
1 862 . 13 1 1 A 80 80 LEU CB C 80 41.520 41.117 0.403 1
1 866 . 13 1 1 A 80 80 LEU N N 80 123.584 126.718 -3.134 1
1 867 . 13 1 1 A 81 81 TYR H H 81 8.090 8.015 0.075 1
1 868 . 13 1 1 A 81 81 TYR HA H 81 5.085 4.619 0.466 1
1 875 . 13 1 1 A 81 81 TYR C C 81 175.341 176.135 -0.794 1
1 876 . 13 1 1 A 81 81 TYR CA C 81 55.561 57.173 -1.612 1
1 877 . 13 1 1 A 81 81 TYR CB C 81 36.792 38.745 -1.953 1
1 882 . 13 1 1 A 81 81 TYR N N 81 123.717 125.153 -1.436 1
1 883 . 13 1 1 A 82 82 PRO HA H 82 4.358 4.542 -0.184 1
1 890 . 13 1 1 A 82 82 PRO CA C 82 64.469 64.174 0.295 1
1 891 . 13 1 1 A 82 82 PRO CB C 82 31.395 32.027 -0.632 1
1 894 . 13 1 1 A 83 83 GLY HA2 H 83 4.164 4.189 -0.025 1
1 895 . 13 1 1 A 83 83 GLY HA3 H 83 3.880 4.202 -0.322 1
1 896 . 13 1 1 A 83 83 GLY C C 83 174.832 173.292 1.540 1
1 897 . 13 1 1 A 83 83 GLY CA C 83 45.437 45.501 -0.064 1
1 898 . 13 1 1 A 84 84 GLY H H 84 7.641 8.383 -0.742 1
1 899 . 13 1 1 A 84 84 GLY HA2 H 84 4.581 4.117 0.464 1
1 900 . 13 1 1 A 84 84 GLY HA3 H 84 3.788 4.136 -0.348 1
1 901 . 13 1 1 A 84 84 GLY C C 84 174.354 174.834 -0.480 1
1 902 . 13 1 1 A 84 84 GLY CA C 84 44.801 45.416 -0.615 1
1 903 . 13 1 1 A 84 84 GLY N N 84 107.816 111.927 -4.111 1
1 904 . 13 1 1 A 85 85 GLY H H 85 8.303 8.874 -0.571 1
1 905 . 13 1 1 A 85 85 GLY HA2 H 85 4.322 3.915 0.407 1
1 906 . 13 1 1 A 85 85 GLY HA3 H 85 4.113 3.948 0.165 1
1 907 . 13 1 1 A 85 85 GLY C C 85 172.757 172.960 -0.203 1
1 908 . 13 1 1 A 85 85 GLY CA C 85 44.602 45.879 -1.277 1
1 909 . 13 1 1 A 85 85 GLY N N 85 108.998 109.591 -0.593 1
1 910 . 13 1 1 A 86 86 SER H H 86 8.361 8.504 -0.143 1
1 911 . 13 1 1 A 86 86 SER HA H 86 5.024 4.722 0.302 1
1 914 . 13 1 1 A 86 86 SER C C 86 173.484 172.484 1.000 1
1 915 . 13 1 1 A 86 86 SER CA C 86 57.738 57.408 0.330 1
1 916 . 13 1 1 A 86 86 SER CB C 86 66.693 66.882 -0.189 1
1 917 . 13 1 1 A 86 86 SER N N 86 111.910 116.262 -4.352 1
1 918 . 13 1 1 A 87 87 SER H H 87 8.105 8.301 -0.196 1
1 919 . 13 1 1 A 87 87 SER HA H 87 4.827 5.329 -0.502 1
1 922 . 13 1 1 A 87 87 SER C C 87 173.377 172.488 0.889 1
1 923 . 13 1 1 A 87 87 SER CA C 87 57.737 57.320 0.417 1
1 924 . 13 1 1 A 87 87 SER CB C 87 65.849 66.486 -0.637 1
1 925 . 13 1 1 A 87 87 SER N N 87 112.598 117.518 -4.920 1
1 926 . 13 1 1 A 88 88 THR H H 88 8.778 8.844 -0.066 1
1 927 . 13 1 1 A 88 88 THR HA H 88 5.439 4.940 0.499 1
1 932 . 13 1 1 A 88 88 THR C C 88 173.289 173.496 -0.207 1
1 933 . 13 1 1 A 88 88 THR CA C 88 62.083 61.435 0.648 1
1 934 . 13 1 1 A 88 88 THR CB C 88 72.001 70.232 1.769 1
1 936 . 13 1 1 A 88 88 THR N N 88 120.383 117.674 2.709 1
1 937 . 13 1 1 A 89 89 LEU H H 89 8.832 9.302 -0.470 1
1 938 . 13 1 1 A 89 89 LEU HA H 89 4.766 4.785 -0.019 1
1 948 . 13 1 1 A 89 89 LEU C C 89 175.440 175.760 -0.320 1
1 949 . 13 1 1 A 89 89 LEU CA C 89 53.671 53.913 -0.242 1
1 950 . 13 1 1 A 89 89 LEU CB C 89 45.972 41.114 4.858 1
1 954 . 13 1 1 A 89 89 LEU N N 89 128.653 128.049 0.604 1
1 955 . 13 1 1 A 90 90 THR H H 90 8.576 8.936 -0.360 1
1 956 . 13 1 1 A 90 90 THR HA H 90 5.622 5.413 0.209 1
1 961 . 13 1 1 A 90 90 THR C C 90 174.307 174.284 0.023 1
1 962 . 13 1 1 A 90 90 THR CA C 90 60.799 60.622 0.177 1
1 963 . 13 1 1 A 90 90 THR CB C 90 71.589 70.816 0.773 1
1 965 . 13 1 1 A 90 90 THR N N 90 115.259 121.079 -5.820 1
1 966 . 13 1 1 A 91 91 GLY H H 91 9.071 8.618 0.453 1
1 967 . 13 1 1 A 91 91 GLY HA2 H 91 4.605 4.461 0.144 1
1 968 . 13 1 1 A 91 91 GLY HA3 H 91 3.960 4.696 -0.736 1
1 969 . 13 1 1 A 91 91 GLY C C 91 170.717 172.068 -1.351 1
1 970 . 13 1 1 A 91 91 GLY CA C 91 45.314 45.218 0.096 1
1 971 . 13 1 1 A 91 91 GLY N N 91 112.300 112.938 -0.638 1
1 972 . 13 1 1 A 92 92 ARG H H 92 8.558 8.572 -0.014 1
1 973 . 13 1 1 A 92 92 ARG HA H 92 5.594 4.665 0.929 1
1 980 . 13 1 1 A 92 92 ARG C C 92 173.260 174.803 -1.543 1
1 981 . 13 1 1 A 92 92 ARG CA C 92 54.806 56.152 -1.346 1
1 982 . 13 1 1 A 92 92 ARG CB C 92 34.464 30.971 3.493 1
1 985 . 13 1 1 A 92 92 ARG N N 92 119.774 124.428 -4.654 1
1 986 . 13 1 1 A 93 93 VAL H H 93 8.430 8.258 0.172 1
1 987 . 13 1 1 A 93 93 VAL HA H 93 4.081 4.302 -0.221 1
1 995 . 13 1 1 A 93 93 VAL C C 93 171.210 173.918 -2.708 1
1 996 . 13 1 1 A 93 93 VAL CA C 93 58.915 59.983 -1.068 1
1 997 . 13 1 1 A 93 93 VAL CB C 93 33.683 33.618 0.065 1
1 1000 . 13 1 1 A 93 93 VAL N N 93 120.381 121.868 -1.487 1
1 1001 . 13 1 1 A 94 94 THR H H 94 8.129 8.814 -0.685 1
1 1002 . 13 1 1 A 94 94 THR HA H 94 5.342 4.534 0.808 1
1 1007 . 13 1 1 A 94 94 THR C C 94 174.637 174.400 0.237 1
1 1008 . 13 1 1 A 94 94 THR CA C 94 60.799 62.507 -1.708 1
1 1009 . 13 1 1 A 94 94 THR CB C 94 70.768 69.118 1.650 1
1 1011 . 13 1 1 A 94 94 THR N N 94 124.645 125.537 -0.892 1
1 1012 . 13 1 1 A 95 95 THR H H 95 8.906 8.232 0.674 1
1 1013 . 13 1 1 A 95 95 THR HA H 95 4.115 4.269 -0.154 1
1 1018 . 13 1 1 A 95 95 THR C C 95 175.367 174.365 1.002 1
1 1019 . 13 1 1 A 95 95 THR CA C 95 60.909 62.360 -1.451 1
1 1020 . 13 1 1 A 95 95 THR CB C 95 70.346 69.913 0.433 1
1 1022 . 13 1 1 A 95 95 THR N N 95 116.835 120.968 -4.133 1
1 1023 . 13 1 1 A 96 96 LYS H H 96 7.372 8.559 -1.187 1
1 1024 . 13 1 1 A 96 96 LYS HA H 96 4.189 4.327 -0.138 1
1 1033 . 13 1 1 A 96 96 LYS C C 96 176.308 177.393 -1.085 1
1 1034 . 13 1 1 A 96 96 LYS CA C 96 55.207 56.437 -1.230 1
1 1035 . 13 1 1 A 96 96 LYS CB C 96 34.095 33.346 0.749 1
1 1039 . 13 1 1 A 96 96 LYS N N 96 116.829 122.989 -6.160 1
1 1040 . 13 1 1 A 97 97 LYS H H 97 8.113 8.605 -0.492 1
1 1041 . 13 1 1 A 97 97 LYS HA H 97 4.356 4.391 -0.035 1
1 1050 . 13 1 1 A 97 97 LYS C C 97 176.106 176.605 -0.499 1
1 1051 . 13 1 1 A 97 97 LYS CA C 97 56.260 56.666 -0.406 1
1 1052 . 13 1 1 A 97 97 LYS CB C 97 33.140 32.958 0.182 1
1 1056 . 13 1 1 A 97 97 LYS N N 97 119.233 121.802 -2.569 1
1 1057 . 13 1 1 A 98 98 ALA H H 98 8.484 8.498 -0.014 1
1 1058 . 13 1 1 A 98 98 ALA HA H 98 4.054 4.187 -0.133 1
1 1062 . 13 1 1 A 98 98 ALA C C 98 175.754 175.671 0.083 1
1 1063 . 13 1 1 A 98 98 ALA CA C 98 50.511 50.852 -0.341 1
1 1064 . 13 1 1 A 98 98 ALA CB C 98 17.093 17.701 -0.608 1
1 1065 . 13 1 1 A 98 98 ALA N N 98 126.424 126.265 0.159 1
1 1066 . 13 1 1 A 99 99 PRO HA H 99 4.313 4.398 -0.085 1
1 1073 . 13 1 1 A 99 99 PRO C C 99 176.506 176.534 -0.028 1
1 1074 . 13 1 1 A 99 99 PRO CA C 99 62.584 62.430 0.154 1
1 1075 . 13 1 1 A 99 99 PRO CB C 99 32.024 31.785 0.239 1
1 1078 . 13 1 1 A 100 100 SER H H 100 8.377 8.218 0.159 1
1 1079 . 13 1 1 A 100 100 SER HA H 100 4.688 4.757 -0.069 1
1 1082 . 13 1 1 A 100 100 SER CA C 100 56.296 56.827 -0.531 1
1 1083 . 13 1 1 A 100 100 SER CB C 100 63.276 63.239 0.037 1
1 1084 . 13 1 1 A 100 100 SER N N 100 117.700 115.424 2.276 1
1 1086 . 13 1 1 A 103 103 SER HA H 103 4.507 4.575 -0.068 1
1 1089 . 13 1 1 A 103 103 SER CA C 103 58.198 58.412 -0.214 1
1 1090 . 13 1 1 A 103 103 SER CB C 103 63.882 63.746 0.136 1
1 1091 . 13 1 1 A 104 104 GLY H H 104 8.233 8.557 -0.324 1
1 1092 . 13 1 1 A 104 104 GLY HA2 H 104 4.124 4.477 -0.353 1
1 1093 . 13 1 1 A 104 104 GLY HA3 H 104 4.124 4.478 -0.354 1
1 1094 . 13 1 1 A 104 104 GLY CA C 104 44.608 45.644 -1.036 1
1 1095 . 13 1 1 A 104 104 GLY N N 104 110.600 113.292 -2.692 1
1 1096 . 13 1 1 A 105 105 PRO HA H 105 4.460 4.633 -0.173 1
1 1103 . 13 1 1 A 105 105 PRO CA C 105 63.264 62.667 0.597 1
1 1104 . 13 1 1 A 105 105 PRO CB C 105 32.094 32.710 -0.616 1
1 1 . 14 1 1 A 6 6 SER HA H 6 4.470 4.528 -0.058 1
1 3 . 14 1 1 A 6 6 SER C C 6 175.031 175.516 -0.485 1
1 4 . 14 1 1 A 6 6 SER CA C 6 58.687 60.668 -1.981 1
1 5 . 14 1 1 A 6 6 SER CB C 6 63.635 64.283 -0.648 1
1 6 . 14 1 1 A 7 7 GLY H H 7 8.390 7.438 0.952 1
1 7 . 14 1 1 A 7 7 GLY HA2 H 7 3.941 4.124 -0.183 1
1 8 . 14 1 1 A 7 7 GLY HA3 H 7 3.941 4.125 -0.184 1
1 9 . 14 1 1 A 7 7 GLY C C 7 173.892 172.313 1.579 1
1 10 . 14 1 1 A 7 7 GLY CA C 7 45.348 45.870 -0.522 1
1 11 . 14 1 1 A 7 7 GLY N N 7 110.659 104.587 6.072 1
1 12 . 14 1 1 A 8 8 LEU H H 8 8.017 8.571 -0.554 1
1 13 . 14 1 1 A 8 8 LEU HA H 8 4.347 5.169 -0.822 1
1 23 . 14 1 1 A 8 8 LEU C C 8 176.816 175.536 1.280 1
1 24 . 14 1 1 A 8 8 LEU CA C 8 54.760 53.634 1.126 1
1 25 . 14 1 1 A 8 8 LEU CB C 8 42.565 44.574 -2.009 1
1 29 . 14 1 1 A 8 8 LEU N N 8 121.546 121.842 -0.296 1
1 30 . 14 1 1 A 9 9 ALA H H 9 8.291 8.770 -0.479 1
1 31 . 14 1 1 A 9 9 ALA HA H 9 4.589 4.746 -0.157 1
1 35 . 14 1 1 A 9 9 ALA C C 9 174.928 174.044 0.884 1
1 36 . 14 1 1 A 9 9 ALA CA C 9 50.381 50.609 -0.228 1
1 37 . 14 1 1 A 9 9 ALA CB C 9 18.293 22.162 -3.869 1
1 38 . 14 1 1 A 9 9 ALA N N 9 126.618 124.217 2.401 1
1 39 . 14 1 1 A 10 10 PRO HA H 10 4.708 4.722 -0.014 1
1 45 . 14 1 1 A 10 10 PRO CA C 10 61.347 62.255 -0.908 1
1 46 . 14 1 1 A 10 10 PRO CB C 10 30.783 31.744 -0.961 1
1 49 . 14 1 1 A 11 11 PRO HA H 11 4.442 4.420 0.022 1
1 56 . 14 1 1 A 11 11 PRO C C 11 176.585 176.649 -0.064 1
1 57 . 14 1 1 A 11 11 PRO CA C 11 63.016 64.934 -1.918 1
1 58 . 14 1 1 A 11 11 PRO CB C 11 32.096 32.303 -0.207 1
1 61 . 14 1 1 A 12 12 ARG H H 12 8.348 7.720 0.628 1
1 62 . 14 1 1 A 12 12 ARG HA H 12 4.405 5.071 -0.666 1
1 69 . 14 1 1 A 12 12 ARG C C 12 175.204 173.765 1.439 1
1 70 . 14 1 1 A 12 12 ARG CA C 12 55.797 54.205 1.592 1
1 71 . 14 1 1 A 12 12 ARG CB C 12 32.052 35.196 -3.144 1
1 74 . 14 1 1 A 12 12 ARG N N 12 120.519 117.864 2.655 1
1 75 . 14 1 1 A 13 13 HIS H H 13 8.296 8.836 -0.540 1
1 76 . 14 1 1 A 13 13 HIS HA H 13 4.815 5.104 -0.289 1
1 81 . 14 1 1 A 13 13 HIS C C 13 174.544 174.242 0.302 1
1 82 . 14 1 1 A 13 13 HIS CA C 13 55.783 55.004 0.779 1
1 83 . 14 1 1 A 13 13 HIS CB C 13 32.469 32.401 0.068 1
1 86 . 14 1 1 A 13 13 HIS N N 13 118.569 121.196 -2.627 1
1 87 . 14 1 1 A 14 14 LEU H H 14 8.209 7.819 0.390 1
1 88 . 14 1 1 A 14 14 LEU HA H 14 4.655 4.808 -0.153 1
1 98 . 14 1 1 A 14 14 LEU C C 14 175.977 176.026 -0.049 1
1 99 . 14 1 1 A 14 14 LEU CA C 14 53.935 53.631 0.304 1
1 100 . 14 1 1 A 14 14 LEU CB C 14 44.113 43.316 0.797 1
1 104 . 14 1 1 A 14 14 LEU N N 14 120.625 124.296 -3.671 1
1 105 . 14 1 1 A 15 15 GLY H H 15 7.988 7.764 0.224 1
1 106 . 14 1 1 A 15 15 GLY HA2 H 15 4.008 3.150 0.858 1
1 107 . 14 1 1 A 15 15 GLY HA3 H 15 2.486 3.823 -1.337 1
1 108 . 14 1 1 A 15 15 GLY C C 15 170.056 170.825 -0.769 1
1 109 . 14 1 1 A 15 15 GLY CA C 15 43.188 44.527 -1.339 1
1 110 . 14 1 1 A 15 15 GLY N N 15 111.142 107.502 3.640 1
1 111 . 14 1 1 A 16 16 PHE H H 16 8.078 8.584 -0.506 1
1 112 . 14 1 1 A 16 16 PHE HA H 16 5.830 5.323 0.507 1
1 120 . 14 1 1 A 16 16 PHE C C 16 175.968 174.959 1.009 1
1 121 . 14 1 1 A 16 16 PHE CA C 16 56.048 55.951 0.097 1
1 122 . 14 1 1 A 16 16 PHE CB C 16 43.353 41.225 2.128 1
1 128 . 14 1 1 A 16 16 PHE N N 16 114.388 122.597 -8.209 1
1 129 . 14 1 1 A 17 17 SER H H 17 9.811 8.785 1.026 1
1 130 . 14 1 1 A 17 17 SER HA H 17 4.883 5.188 -0.305 1
1 133 . 14 1 1 A 17 17 SER C C 17 171.638 174.275 -2.637 1
1 134 . 14 1 1 A 17 17 SER CA C 17 57.073 57.254 -0.181 1
1 135 . 14 1 1 A 17 17 SER CB C 17 66.893 67.226 -0.333 1
1 136 . 14 1 1 A 17 17 SER N N 17 118.688 117.933 0.755 1
1 137 . 14 1 1 A 18 18 ASP H H 18 9.001 9.018 -0.017 1
1 138 . 14 1 1 A 18 18 ASP HA H 18 4.171 4.245 -0.074 1
1 141 . 14 1 1 A 18 18 ASP C C 18 174.520 175.016 -0.496 1
1 142 . 14 1 1 A 18 18 ASP CA C 18 55.333 54.869 0.464 1
1 143 . 14 1 1 A 18 18 ASP CB C 18 40.075 39.592 0.483 1
1 144 . 14 1 1 A 18 18 ASP N N 18 116.878 124.103 -7.225 1
1 145 . 14 1 1 A 19 19 VAL H H 19 8.202 8.047 0.155 1
1 146 . 14 1 1 A 19 19 VAL HA H 19 4.169 4.200 -0.031 1
1 154 . 14 1 1 A 19 19 VAL C C 19 176.641 175.093 1.548 1
1 155 . 14 1 1 A 19 19 VAL CA C 19 63.962 63.107 0.855 1
1 156 . 14 1 1 A 19 19 VAL CB C 19 31.236 31.511 -0.275 1
1 159 . 14 1 1 A 19 19 VAL N N 19 117.253 119.829 -2.576 1
1 160 . 14 1 1 A 20 20 SER H H 20 9.066 8.543 0.523 1
1 161 . 14 1 1 A 20 20 SER HA H 20 5.061 4.780 0.281 1
1 164 . 14 1 1 A 20 20 SER C C 20 174.081 175.054 -0.973 1
1 165 . 14 1 1 A 20 20 SER CA C 20 55.582 55.370 0.212 1
1 166 . 14 1 1 A 20 20 SER CB C 20 65.090 65.716 -0.626 1
1 167 . 14 1 1 A 20 20 SER N N 20 126.686 121.531 5.155 1
1 168 . 14 1 1 A 21 21 HIS H H 21 8.635 8.192 0.443 1
1 169 . 14 1 1 A 21 21 HIS HA H 21 4.895 4.617 0.278 1
1 174 . 14 1 1 A 21 21 HIS C C 21 175.242 175.508 -0.266 1
1 175 . 14 1 1 A 21 21 HIS CA C 21 56.934 56.603 0.331 1
1 176 . 14 1 1 A 21 21 HIS CB C 21 30.651 29.956 0.695 1
1 179 . 14 1 1 A 21 21 HIS N N 21 117.241 121.299 -4.058 1
1 180 . 14 1 1 A 22 22 ASP H H 22 7.400 7.929 -0.529 1
1 181 . 14 1 1 A 22 22 ASP HA H 22 4.803 5.075 -0.272 1
1 184 . 14 1 1 A 22 22 ASP C C 22 176.754 175.077 1.677 1
1 185 . 14 1 1 A 22 22 ASP CA C 22 52.316 53.246 -0.930 1
1 186 . 14 1 1 A 22 22 ASP CB C 22 41.697 42.002 -0.305 1
1 187 . 14 1 1 A 22 22 ASP N N 22 115.766 116.349 -0.583 1
1 188 . 14 1 1 A 23 23 ALA H H 23 7.379 7.450 -0.071 1
1 189 . 14 1 1 A 23 23 ALA HA H 23 4.753 4.422 0.331 1
1 193 . 14 1 1 A 23 23 ALA C C 23 174.757 175.048 -0.291 1
1 194 . 14 1 1 A 23 23 ALA CA C 23 51.613 51.584 0.029 1
1 195 . 14 1 1 A 23 23 ALA CB C 23 22.882 22.422 0.460 1
1 196 . 14 1 1 A 23 23 ALA N N 23 122.521 119.170 3.351 1
1 197 . 14 1 1 A 24 24 ALA H H 24 7.745 8.158 -0.413 1
1 198 . 14 1 1 A 24 24 ALA HA H 24 4.593 4.813 -0.220 1
1 202 . 14 1 1 A 24 24 ALA C C 24 173.662 175.208 -1.546 1
1 203 . 14 1 1 A 24 24 ALA CA C 24 52.233 51.814 0.419 1
1 204 . 14 1 1 A 24 24 ALA CB C 24 22.894 22.684 0.210 1
1 205 . 14 1 1 A 24 24 ALA N N 24 115.485 120.057 -4.572 1
1 206 . 14 1 1 A 25 25 ARG H H 25 8.690 8.268 0.422 1
1 207 . 14 1 1 A 25 25 ARG HA H 25 5.209 4.886 0.323 1
1 214 . 14 1 1 A 25 25 ARG C C 25 174.777 174.838 -0.061 1
1 215 . 14 1 1 A 25 25 ARG CA C 25 55.161 55.257 -0.096 1
1 216 . 14 1 1 A 25 25 ARG CB C 25 32.329 31.715 0.614 1
1 219 . 14 1 1 A 25 25 ARG N N 25 122.853 123.660 -0.807 1
1 220 . 14 1 1 A 26 26 VAL H H 26 8.865 8.985 -0.120 1
1 221 . 14 1 1 A 26 26 VAL HA H 26 5.120 4.922 0.198 1
1 229 . 14 1 1 A 26 26 VAL C C 26 172.428 174.703 -2.275 1
1 230 . 14 1 1 A 26 26 VAL CA C 26 57.420 59.740 -2.320 1
1 231 . 14 1 1 A 26 26 VAL CB C 26 34.734 34.498 0.236 1
1 234 . 14 1 1 A 26 26 VAL N N 26 125.534 126.607 -1.073 1
1 235 . 14 1 1 A 27 27 PHE H H 27 8.520 8.571 -0.051 1
1 236 . 14 1 1 A 27 27 PHE HA H 27 5.039 5.442 -0.403 1
1 244 . 14 1 1 A 27 27 PHE C C 27 172.979 173.484 -0.505 1
1 245 . 14 1 1 A 27 27 PHE CA C 27 56.293 54.942 1.351 1
1 246 . 14 1 1 A 27 27 PHE CB C 27 42.190 42.544 -0.354 1
1 252 . 14 1 1 A 27 27 PHE N N 27 123.552 123.831 -0.279 1
1 253 . 14 1 1 A 28 28 TRP H H 28 7.813 8.344 -0.531 1
1 254 . 14 1 1 A 28 28 TRP HA H 28 5.058 5.678 -0.620 1
1 263 . 14 1 1 A 28 28 TRP C C 28 174.131 176.429 -2.298 1
1 264 . 14 1 1 A 28 28 TRP CA C 28 55.730 54.457 1.273 1
1 265 . 14 1 1 A 28 28 TRP CB C 28 30.997 33.361 -2.364 1
1 271 . 14 1 1 A 28 28 TRP N N 28 116.968 120.338 -3.370 1
1 273 . 14 1 1 A 29 29 GLU H H 29 8.362 9.277 -0.915 1
1 274 . 14 1 1 A 29 29 GLU HA H 29 4.356 4.504 -0.148 1
1 279 . 14 1 1 A 29 29 GLU C C 29 177.125 176.898 0.227 1
1 280 . 14 1 1 A 29 29 GLU CA C 29 55.820 56.265 -0.445 1
1 281 . 14 1 1 A 29 29 GLU CB C 29 31.085 30.020 1.065 1
1 283 . 14 1 1 A 29 29 GLU N N 29 119.239 118.361 0.878 1
1 284 . 14 1 1 A 30 30 GLY H H 30 8.729 8.256 0.473 1
1 285 . 14 1 1 A 30 30 GLY HA2 H 30 4.051 4.178 -0.127 1
1 286 . 14 1 1 A 30 30 GLY HA3 H 30 3.781 4.389 -0.608 1
1 287 . 14 1 1 A 30 30 GLY C C 30 173.621 172.804 0.817 1
1 288 . 14 1 1 A 30 30 GLY CA C 30 45.559 44.997 0.562 1
1 289 . 14 1 1 A 30 30 GLY N N 30 110.979 107.763 3.216 1
1 290 . 14 1 1 A 31 31 ALA H H 31 8.747 8.192 0.555 1
1 291 . 14 1 1 A 31 31 ALA HA H 31 4.577 4.887 -0.310 1
1 295 . 14 1 1 A 31 31 ALA C C 31 177.064 177.722 -0.658 1
1 296 . 14 1 1 A 31 31 ALA CA C 31 50.416 49.754 0.662 1
1 297 . 14 1 1 A 31 31 ALA CB C 31 19.221 21.196 -1.975 1
1 298 . 14 1 1 A 31 31 ALA N N 31 126.357 121.763 4.594 1
1 299 . 14 1 1 A 32 32 PRO HA H 32 4.630 4.498 0.132 1
1 306 . 14 1 1 A 32 32 PRO C C 32 175.001 175.301 -0.300 1
1 307 . 14 1 1 A 32 32 PRO CA C 32 63.368 64.051 -0.683 1
1 308 . 14 1 1 A 32 32 PRO CB C 32 30.738 31.796 -1.058 1
1 311 . 14 1 1 A 33 33 ARG H H 33 7.418 7.307 0.111 1
1 312 . 14 1 1 A 33 33 ARG HA H 33 4.746 4.925 -0.179 1
1 319 . 14 1 1 A 33 33 ARG C C 33 172.695 174.246 -1.551 1
1 320 . 14 1 1 A 33 33 ARG CA C 33 53.205 53.347 -0.142 1
1 321 . 14 1 1 A 33 33 ARG CB C 33 30.414 32.472 -2.058 1
1 324 . 14 1 1 A 33 33 ARG N N 33 117.994 114.103 3.891 1
1 325 . 14 1 1 A 34 34 PRO HA H 34 4.273 4.674 -0.401 1
1 332 . 14 1 1 A 34 34 PRO C C 34 175.342 176.073 -0.731 1
1 333 . 14 1 1 A 34 34 PRO CA C 34 64.037 62.620 1.417 1
1 334 . 14 1 1 A 34 34 PRO CB C 34 32.581 32.666 -0.085 1
1 337 . 14 1 1 A 35 35 VAL H H 35 8.264 8.682 -0.418 1
1 338 . 14 1 1 A 35 35 VAL HA H 35 4.237 4.822 -0.585 1
1 346 . 14 1 1 A 35 35 VAL C C 35 175.771 176.193 -0.422 1
1 347 . 14 1 1 A 35 35 VAL CA C 35 61.890 60.660 1.230 1
1 348 . 14 1 1 A 35 35 VAL CB C 35 35.092 35.513 -0.421 1
1 351 . 14 1 1 A 35 35 VAL N N 35 122.377 122.235 0.142 1
1 352 . 14 1 1 A 36 36 ARG H H 36 9.278 8.339 0.939 1
1 353 . 14 1 1 A 36 36 ARG HA H 36 4.426 4.562 -0.136 1
1 360 . 14 1 1 A 36 36 ARG C C 36 175.620 176.103 -0.483 1
1 361 . 14 1 1 A 36 36 ARG CA C 36 57.672 56.850 0.822 1
1 362 . 14 1 1 A 36 36 ARG CB C 36 31.595 31.659 -0.064 1
1 365 . 14 1 1 A 36 36 ARG N N 36 125.821 122.898 2.923 1
1 366 . 14 1 1 A 37 37 LEU H H 37 7.525 7.228 0.297 1
1 367 . 14 1 1 A 37 37 LEU HA H 37 4.403 4.756 -0.353 1
1 377 . 14 1 1 A 37 37 LEU C C 37 172.405 174.007 -1.602 1
1 378 . 14 1 1 A 37 37 LEU CA C 37 54.913 54.329 0.584 1
1 379 . 14 1 1 A 37 37 LEU CB C 37 46.166 45.849 0.317 1
1 383 . 14 1 1 A 37 37 LEU N N 37 119.761 119.495 0.266 1
1 384 . 14 1 1 A 38 38 VAL H H 38 8.513 8.863 -0.350 1
1 385 . 14 1 1 A 38 38 VAL HA H 38 4.790 4.730 0.060 1
1 393 . 14 1 1 A 38 38 VAL C C 38 174.595 174.158 0.437 1
1 394 . 14 1 1 A 38 38 VAL CA C 38 60.992 61.113 -0.121 1
1 395 . 14 1 1 A 38 38 VAL CB C 38 33.979 34.433 -0.454 1
1 398 . 14 1 1 A 38 38 VAL N N 38 123.604 125.372 -1.768 1
1 399 . 14 1 1 A 39 39 ARG H H 39 9.025 9.347 -0.322 1
1 400 . 14 1 1 A 39 39 ARG HA H 39 4.839 4.964 -0.125 1
1 407 . 14 1 1 A 39 39 ARG C C 39 174.581 174.582 -0.001 1
1 408 . 14 1 1 A 39 39 ARG CA C 39 55.150 54.725 0.425 1
1 409 . 14 1 1 A 39 39 ARG CB C 39 32.919 32.486 0.433 1
1 412 . 14 1 1 A 39 39 ARG N N 39 126.442 129.695 -3.253 1
1 413 . 14 1 1 A 40 40 VAL H H 40 9.059 8.838 0.221 1
1 414 . 14 1 1 A 40 40 VAL HA H 40 5.177 4.923 0.254 1
1 422 . 14 1 1 A 40 40 VAL C C 40 175.508 175.295 0.213 1
1 423 . 14 1 1 A 40 40 VAL CA C 40 60.513 61.105 -0.592 1
1 424 . 14 1 1 A 40 40 VAL CB C 40 33.390 34.067 -0.677 1
1 427 . 14 1 1 A 40 40 VAL N N 40 127.219 127.459 -0.240 1
1 428 . 14 1 1 A 41 41 THR H H 41 9.244 8.912 0.332 1
1 429 . 14 1 1 A 41 41 THR HA H 41 5.056 5.062 -0.006 1
1 434 . 14 1 1 A 41 41 THR C C 41 173.323 172.856 0.467 1
1 435 . 14 1 1 A 41 41 THR CA C 41 59.618 60.702 -1.084 1
1 436 . 14 1 1 A 41 41 THR CB C 41 71.668 71.015 0.653 1
1 438 . 14 1 1 A 41 41 THR N N 41 117.579 117.303 0.276 1
1 439 . 14 1 1 A 42 42 TYR H H 42 7.955 8.584 -0.629 1
1 440 . 14 1 1 A 42 42 TYR HA H 42 5.825 5.939 -0.114 1
1 447 . 14 1 1 A 42 42 TYR C C 42 173.794 173.702 0.092 1
1 448 . 14 1 1 A 42 42 TYR CA C 42 54.314 55.171 -0.857 1
1 449 . 14 1 1 A 42 42 TYR CB C 42 39.788 42.377 -2.589 1
1 454 . 14 1 1 A 42 42 TYR N N 42 117.304 120.617 -3.313 1
1 455 . 14 1 1 A 43 43 VAL H H 43 8.547 8.809 -0.262 1
1 456 . 14 1 1 A 43 43 VAL HA H 43 5.069 4.727 0.342 1
1 464 . 14 1 1 A 43 43 VAL C C 43 174.912 175.748 -0.836 1
1 465 . 14 1 1 A 43 43 VAL CA C 43 60.142 60.509 -0.367 1
1 466 . 14 1 1 A 43 43 VAL CB C 43 35.329 35.414 -0.085 1
1 469 . 14 1 1 A 43 43 VAL N N 43 119.038 119.221 -0.183 1
1 470 . 14 1 1 A 44 44 SER H H 44 9.123 8.977 0.146 1
1 471 . 14 1 1 A 44 44 SER HA H 44 4.307 3.481 0.826 1
1 474 . 14 1 1 A 44 44 SER C C 44 176.777 173.451 3.326 1
1 475 . 14 1 1 A 44 44 SER CA C 44 57.838 60.123 -2.285 1
1 476 . 14 1 1 A 44 44 SER CB C 44 64.064 62.739 1.325 1
1 477 . 14 1 1 A 44 44 SER N N 44 124.942 122.277 2.665 1
1 478 . 14 1 1 A 45 45 SER H H 45 8.562 7.765 0.797 1
1 479 . 14 1 1 A 45 45 SER HA H 45 4.175 4.492 -0.317 1
1 482 . 14 1 1 A 45 45 SER C C 45 175.366 173.440 1.926 1
1 483 . 14 1 1 A 45 45 SER CA C 45 61.239 57.049 4.190 1
1 484 . 14 1 1 A 45 45 SER CB C 45 62.976 65.286 -2.310 1
1 485 . 14 1 1 A 45 45 SER N N 45 119.157 113.708 5.449 1
1 486 . 14 1 1 A 46 46 GLU H H 46 8.321 8.953 -0.632 1
1 487 . 14 1 1 A 46 46 GLU HA H 46 4.442 4.117 0.325 1
1 492 . 14 1 1 A 46 46 GLU C C 46 177.463 176.449 1.014 1
1 493 . 14 1 1 A 46 46 GLU CA C 46 56.409 57.220 -0.811 1
1 494 . 14 1 1 A 46 46 GLU CB C 46 29.633 27.442 2.191 1
1 496 . 14 1 1 A 46 46 GLU N N 46 119.112 124.132 -5.020 1
1 497 . 14 1 1 A 47 47 GLY H H 47 8.129 8.658 -0.529 1
1 498 . 14 1 1 A 47 47 GLY HA2 H 47 4.150 3.884 0.266 1
1 499 . 14 1 1 A 47 47 GLY HA3 H 47 3.646 3.894 -0.248 1
1 500 . 14 1 1 A 47 47 GLY C C 47 175.047 174.746 0.301 1
1 501 . 14 1 1 A 47 47 GLY CA C 47 45.400 46.737 -1.337 1
1 502 . 14 1 1 A 47 47 GLY N N 47 109.344 109.183 0.161 1
1 503 . 14 1 1 A 48 48 GLY H H 48 7.927 8.303 -0.376 1
1 504 . 14 1 1 A 48 48 GLY HA2 H 48 3.982 4.025 -0.043 1
1 505 . 14 1 1 A 48 48 GLY HA3 H 48 3.855 4.031 -0.176 1
1 506 . 14 1 1 A 48 48 GLY C C 48 173.614 173.488 0.126 1
1 507 . 14 1 1 A 48 48 GLY CA C 48 46.073 44.778 1.295 1
1 508 . 14 1 1 A 48 48 GLY N N 48 107.840 107.626 0.214 1
1 509 . 14 1 1 A 49 49 HIS H H 49 7.985 8.297 -0.312 1
1 510 . 14 1 1 A 49 49 HIS HA H 49 4.951 4.753 0.198 1
1 515 . 14 1 1 A 49 49 HIS C C 49 173.760 174.162 -0.402 1
1 516 . 14 1 1 A 49 49 HIS CA C 49 56.608 55.936 0.672 1
1 517 . 14 1 1 A 49 49 HIS CB C 49 33.119 29.933 3.186 1
1 520 . 14 1 1 A 49 49 HIS N N 49 120.577 123.441 -2.864 1
1 521 . 14 1 1 A 50 50 SER H H 50 8.118 8.516 -0.398 1
1 522 . 14 1 1 A 50 50 SER HA H 50 5.184 4.754 0.430 1
1 525 . 14 1 1 A 50 50 SER C C 50 172.582 173.351 -0.769 1
1 526 . 14 1 1 A 50 50 SER CA C 50 56.463 56.172 0.291 1
1 527 . 14 1 1 A 50 50 SER CB C 50 66.423 66.099 0.324 1
1 528 . 14 1 1 A 50 50 SER N N 50 120.879 119.538 1.341 1
1 529 . 14 1 1 A 51 51 GLY H H 51 7.900 8.227 -0.327 1
1 530 . 14 1 1 A 51 51 GLY HA2 H 51 4.027 3.272 0.755 1
1 531 . 14 1 1 A 51 51 GLY HA3 H 51 3.236 3.932 -0.696 1
1 532 . 14 1 1 A 51 51 GLY C C 51 171.073 172.176 -1.103 1
1 533 . 14 1 1 A 51 51 GLY CA C 51 44.696 43.662 1.034 1
1 534 . 14 1 1 A 51 51 GLY N N 51 108.215 108.132 0.083 1
1 535 . 14 1 1 A 52 52 GLN H H 52 8.256 8.613 -0.357 1
1 536 . 14 1 1 A 52 52 GLN HA H 52 5.308 4.942 0.366 1
1 543 . 14 1 1 A 52 52 GLN C C 52 174.217 173.497 0.720 1
1 544 . 14 1 1 A 52 52 GLN CA C 52 54.516 55.816 -1.300 1
1 545 . 14 1 1 A 52 52 GLN CB C 52 32.541 31.483 1.058 1
1 547 . 14 1 1 A 52 52 GLN N N 52 115.667 119.341 -3.674 1
1 549 . 14 1 1 A 53 53 THR H H 53 9.298 8.896 0.402 1
1 550 . 14 1 1 A 53 53 THR HA H 53 4.753 5.096 -0.343 1
1 555 . 14 1 1 A 53 53 THR C C 53 171.720 172.385 -0.665 1
1 556 . 14 1 1 A 53 53 THR CA C 53 60.869 59.245 1.624 1
1 557 . 14 1 1 A 53 53 THR CB C 53 70.580 71.788 -1.208 1
1 559 . 14 1 1 A 53 53 THR N N 53 117.486 120.977 -3.491 1
1 560 . 14 1 1 A 54 54 GLU H H 54 8.404 8.702 -0.298 1
1 561 . 14 1 1 A 54 54 GLU HA H 54 5.378 5.524 -0.146 1
1 566 . 14 1 1 A 54 54 GLU C C 54 174.705 175.076 -0.371 1
1 567 . 14 1 1 A 54 54 GLU CA C 54 54.693 54.669 0.024 1
1 568 . 14 1 1 A 54 54 GLU CB C 54 33.434 34.096 -0.662 1
1 570 . 14 1 1 A 54 54 GLU N N 54 123.651 121.939 1.712 1
1 571 . 14 1 1 A 55 55 ALA H H 55 9.471 8.577 0.894 1
1 572 . 14 1 1 A 55 55 ALA HA H 55 5.056 4.825 0.231 1
1 576 . 14 1 1 A 55 55 ALA C C 55 172.938 174.036 -1.098 1
1 577 . 14 1 1 A 55 55 ALA CA C 55 49.216 50.172 -0.956 1
1 578 . 14 1 1 A 55 55 ALA CB C 55 20.410 22.006 -1.596 1
1 579 . 14 1 1 A 55 55 ALA N N 55 126.815 121.744 5.071 1
1 580 . 14 1 1 A 56 56 PRO HA H 56 4.630 4.588 0.042 1
1 587 . 14 1 1 A 56 56 PRO C C 56 176.935 177.743 -0.808 1
1 588 . 14 1 1 A 56 56 PRO CA C 56 62.303 62.629 -0.326 1
1 589 . 14 1 1 A 56 56 PRO CB C 56 32.745 32.736 0.009 1
1 592 . 14 1 1 A 57 57 GLY H H 57 8.240 8.698 -0.458 1
1 593 . 14 1 1 A 57 57 GLY HA2 H 57 3.839 3.897 -0.058 1
1 594 . 14 1 1 A 57 57 GLY HA3 H 57 3.547 3.917 -0.370 1
1 595 . 14 1 1 A 57 57 GLY C C 57 173.839 175.376 -1.537 1
1 596 . 14 1 1 A 57 57 GLY CA C 57 47.092 46.667 0.425 1
1 597 . 14 1 1 A 57 57 GLY N N 57 104.338 110.065 -5.727 1
1 598 . 14 1 1 A 58 58 ASN H H 58 7.935 7.891 0.044 1
1 599 . 14 1 1 A 58 58 ASN HA H 58 4.778 4.647 0.131 1
1 604 . 14 1 1 A 58 58 ASN C C 58 175.578 175.789 -0.211 1
1 605 . 14 1 1 A 58 58 ASN CA C 58 52.176 55.095 -2.919 1
1 606 . 14 1 1 A 58 58 ASN CB C 58 37.384 39.255 -1.871 1
1 607 . 14 1 1 A 58 58 ASN N N 58 114.653 119.106 -4.453 1
1 609 . 14 1 1 A 59 59 ALA H H 59 8.041 7.636 0.405 1
1 610 . 14 1 1 A 59 59 ALA HA H 59 4.360 4.224 0.136 1
1 614 . 14 1 1 A 59 59 ALA C C 59 177.738 178.648 -0.910 1
1 615 . 14 1 1 A 59 59 ALA CA C 59 52.792 52.809 -0.017 1
1 616 . 14 1 1 A 59 59 ALA CB C 59 20.834 19.016 1.818 1
1 617 . 14 1 1 A 59 59 ALA N N 59 124.183 121.804 2.379 1
1 618 . 14 1 1 A 60 60 THR H H 60 8.274 8.672 -0.398 1
1 619 . 14 1 1 A 60 60 THR HA H 60 3.299 4.147 -0.848 1
1 624 . 14 1 1 A 60 60 THR C C 60 171.681 173.241 -1.560 1
1 625 . 14 1 1 A 60 60 THR CA C 60 59.732 61.480 -1.748 1
1 626 . 14 1 1 A 60 60 THR CB C 60 69.010 69.069 -0.059 1
1 628 . 14 1 1 A 60 60 THR N N 60 108.095 113.849 -5.754 1
1 629 . 14 1 1 A 61 61 SER H H 61 6.728 7.414 -0.686 1
1 630 . 14 1 1 A 61 61 SER HA H 61 4.584 3.992 0.592 1
1 633 . 14 1 1 A 61 61 SER C C 61 172.948 172.038 0.910 1
1 634 . 14 1 1 A 61 61 SER CA C 61 57.403 57.318 0.085 1
1 635 . 14 1 1 A 61 61 SER CB C 61 65.767 66.584 -0.817 1
1 636 . 14 1 1 A 61 61 SER N N 61 110.991 114.847 -3.856 1
1 637 . 14 1 1 A 62 62 ALA H H 62 8.954 8.729 0.225 1
1 638 . 14 1 1 A 62 62 ALA HA H 62 4.581 5.032 -0.451 1
1 642 . 14 1 1 A 62 62 ALA C C 62 174.741 176.028 -1.287 1
1 643 . 14 1 1 A 62 62 ALA CA C 62 51.949 51.603 0.346 1
1 644 . 14 1 1 A 62 62 ALA CB C 62 21.659 23.690 -2.031 1
1 645 . 14 1 1 A 62 62 ALA N N 62 119.306 123.102 -3.796 1
1 646 . 14 1 1 A 63 63 MET H H 63 8.599 8.476 0.123 1
1 647 . 14 1 1 A 63 63 MET HA H 63 4.993 5.174 -0.181 1
1 655 . 14 1 1 A 63 63 MET C C 63 175.386 174.977 0.409 1
1 656 . 14 1 1 A 63 63 MET CA C 63 53.760 53.429 0.331 1
1 657 . 14 1 1 A 63 63 MET CB C 63 31.842 34.108 -2.266 1
1 660 . 14 1 1 A 63 63 MET N N 63 120.537 118.341 2.196 1
1 661 . 14 1 1 A 64 64 LEU H H 64 9.244 8.694 0.550 1
1 662 . 14 1 1 A 64 64 LEU HA H 64 4.494 5.024 -0.530 1
1 672 . 14 1 1 A 64 64 LEU C C 64 175.976 175.769 0.207 1
1 673 . 14 1 1 A 64 64 LEU CA C 64 52.988 53.162 -0.174 1
1 674 . 14 1 1 A 64 64 LEU CB C 64 42.785 44.728 -1.943 1
1 678 . 14 1 1 A 64 64 LEU N N 64 124.823 123.306 1.517 1
1 679 . 14 1 1 A 65 65 GLY H H 65 7.516 8.078 -0.562 1
1 680 . 14 1 1 A 65 65 GLY HA2 H 65 4.505 4.033 0.472 1
1 681 . 14 1 1 A 65 65 GLY HA3 H 65 3.237 4.060 -0.823 1
1 682 . 14 1 1 A 65 65 GLY C C 65 170.608 172.508 -1.900 1
1 683 . 14 1 1 A 65 65 GLY CA C 65 44.505 44.284 0.221 1
1 684 . 14 1 1 A 65 65 GLY N N 65 106.855 108.465 -1.610 1
1 685 . 14 1 1 A 66 66 PRO HA H 66 4.626 4.851 -0.225 1
1 692 . 14 1 1 A 66 66 PRO C C 66 176.262 176.295 -0.033 1
1 693 . 14 1 1 A 66 66 PRO CA C 66 62.542 62.863 -0.321 1
1 694 . 14 1 1 A 66 66 PRO CB C 66 34.107 32.200 1.907 1
1 697 . 14 1 1 A 67 67 LEU H H 67 8.487 8.615 -0.128 1
1 698 . 14 1 1 A 67 67 LEU HA H 67 4.586 4.879 -0.293 1
1 708 . 14 1 1 A 67 67 LEU C C 67 176.158 176.240 -0.082 1
1 709 . 14 1 1 A 67 67 LEU CA C 67 52.335 53.156 -0.821 1
1 710 . 14 1 1 A 67 67 LEU CB C 67 43.440 43.158 0.282 1
1 714 . 14 1 1 A 67 67 LEU N N 67 124.582 122.559 2.023 1
1 715 . 14 1 1 A 68 68 SER H H 68 8.958 8.803 0.155 1
1 716 . 14 1 1 A 68 68 SER HA H 68 4.529 4.930 -0.401 1
1 719 . 14 1 1 A 68 68 SER C C 68 174.360 173.392 0.968 1
1 720 . 14 1 1 A 68 68 SER CA C 68 58.649 57.560 1.089 1
1 721 . 14 1 1 A 68 68 SER CB C 68 64.239 65.114 -0.875 1
1 722 . 14 1 1 A 68 68 SER N N 68 117.670 117.578 0.092 1
1 723 . 14 1 1 A 69 69 SER H H 69 8.511 8.747 -0.236 1
1 724 . 14 1 1 A 69 69 SER HA H 69 5.085 5.238 -0.153 1
1 727 . 14 1 1 A 69 69 SER C C 69 175.660 174.954 0.706 1
1 728 . 14 1 1 A 69 69 SER CA C 69 59.071 57.138 1.933 1
1 729 . 14 1 1 A 69 69 SER CB C 69 64.439 65.517 -1.078 1
1 730 . 14 1 1 A 69 69 SER N N 69 119.760 119.008 0.752 1
1 731 . 14 1 1 A 70 70 SER H H 70 7.974 9.180 -1.206 1
1 732 . 14 1 1 A 70 70 SER HA H 70 3.799 4.270 -0.471 1
1 735 . 14 1 1 A 70 70 SER C C 70 173.645 172.941 0.704 1
1 736 . 14 1 1 A 70 70 SER CA C 70 58.453 59.189 -0.736 1
1 737 . 14 1 1 A 70 70 SER CB C 70 62.477 62.007 0.470 1
1 738 . 14 1 1 A 70 70 SER N N 70 121.170 119.019 2.151 1
1 739 . 14 1 1 A 71 71 THR H H 71 8.325 7.932 0.393 1
1 740 . 14 1 1 A 71 71 THR HA H 71 4.482 4.759 -0.277 1
1 745 . 14 1 1 A 71 71 THR C C 71 171.950 173.372 -1.422 1
1 746 . 14 1 1 A 71 71 THR CA C 71 62.453 61.245 1.208 1
1 747 . 14 1 1 A 71 71 THR CB C 71 72.120 71.818 0.302 1
1 749 . 14 1 1 A 71 71 THR N N 71 115.265 114.681 0.584 1
1 750 . 14 1 1 A 72 72 THR H H 72 8.963 8.869 0.094 1
1 751 . 14 1 1 A 72 72 THR HA H 72 5.044 4.535 0.509 1
1 756 . 14 1 1 A 72 72 THR C C 72 173.198 174.039 -0.841 1
1 757 . 14 1 1 A 72 72 THR CA C 72 62.216 63.032 -0.816 1
1 758 . 14 1 1 A 72 72 THR CB C 72 69.392 69.422 -0.030 1
1 760 . 14 1 1 A 72 72 THR N N 72 124.221 121.175 3.046 1
1 761 . 14 1 1 A 73 73 TYR H H 73 9.711 9.150 0.561 1
1 762 . 14 1 1 A 73 73 TYR HA H 73 4.852 5.361 -0.509 1
1 767 . 14 1 1 A 73 73 TYR C C 73 175.854 175.201 0.653 1
1 768 . 14 1 1 A 73 73 TYR CA C 73 57.596 56.619 0.977 1
1 769 . 14 1 1 A 73 73 TYR CB C 73 41.377 40.291 1.086 1
1 774 . 14 1 1 A 73 73 TYR N N 73 126.553 124.842 1.711 1
1 775 . 14 1 1 A 74 74 THR H H 74 8.981 9.271 -0.290 1
1 776 . 14 1 1 A 74 74 THR HA H 74 4.648 4.566 0.082 1
1 781 . 14 1 1 A 74 74 THR C C 74 174.296 174.173 0.123 1
1 782 . 14 1 1 A 74 74 THR CA C 74 63.156 62.435 0.721 1
1 783 . 14 1 1 A 74 74 THR CB C 74 68.916 67.930 0.986 1
1 785 . 14 1 1 A 74 74 THR N N 74 118.190 119.598 -1.408 1
1 786 . 14 1 1 A 75 75 VAL H H 75 9.376 9.303 0.073 1
1 787 . 14 1 1 A 75 75 VAL HA H 75 4.951 4.408 0.543 1
1 795 . 14 1 1 A 75 75 VAL C C 75 173.554 175.178 -1.624 1
1 796 . 14 1 1 A 75 75 VAL CA C 75 61.004 62.371 -1.367 1
1 797 . 14 1 1 A 75 75 VAL CB C 75 34.541 32.563 1.978 1
1 800 . 14 1 1 A 75 75 VAL N N 75 130.973 127.932 3.041 1
1 801 . 14 1 1 A 76 76 ARG H H 76 9.023 8.816 0.207 1
1 802 . 14 1 1 A 76 76 ARG HA H 76 5.218 5.297 -0.079 1
1 809 . 14 1 1 A 76 76 ARG C C 76 175.034 175.007 0.027 1
1 810 . 14 1 1 A 76 76 ARG CA C 76 54.501 54.404 0.097 1
1 811 . 14 1 1 A 76 76 ARG CB C 76 32.621 32.302 0.319 1
1 814 . 14 1 1 A 76 76 ARG N N 76 126.030 127.196 -1.166 1
1 815 . 14 1 1 A 77 77 VAL H H 77 9.155 9.186 -0.031 1
1 816 . 14 1 1 A 77 77 VAL HA H 77 4.165 4.327 -0.162 1
1 824 . 14 1 1 A 77 77 VAL C C 77 174.967 175.024 -0.057 1
1 825 . 14 1 1 A 77 77 VAL CA C 77 61.626 61.849 -0.223 1
1 826 . 14 1 1 A 77 77 VAL CB C 77 33.367 31.187 2.180 1
1 829 . 14 1 1 A 77 77 VAL N N 77 125.903 125.255 0.648 1
1 830 . 14 1 1 A 78 78 THR H H 78 9.313 9.071 0.242 1
1 831 . 14 1 1 A 78 78 THR HA H 78 5.121 5.037 0.084 1
1 836 . 14 1 1 A 78 78 THR C C 78 173.388 173.550 -0.162 1
1 837 . 14 1 1 A 78 78 THR CA C 78 61.286 61.777 -0.491 1
1 838 . 14 1 1 A 78 78 THR CB C 78 70.432 68.873 1.559 1
1 840 . 14 1 1 A 78 78 THR N N 78 126.547 123.601 2.946 1
1 841 . 14 1 1 A 79 79 CYS H H 79 8.807 8.316 0.491 1
1 842 . 14 1 1 A 79 79 CYS HA H 79 4.410 4.525 -0.115 1
1 845 . 14 1 1 A 79 79 CYS C C 79 172.501 173.893 -1.392 1
1 846 . 14 1 1 A 79 79 CYS CA C 79 58.141 57.011 1.130 1
1 847 . 14 1 1 A 79 79 CYS CB C 79 28.102 27.100 1.002 1
1 848 . 14 1 1 A 79 79 CYS N N 79 125.160 125.786 -0.626 1
1 849 . 14 1 1 A 80 80 LEU H H 80 8.417 8.301 0.116 1
1 850 . 14 1 1 A 80 80 LEU HA H 80 4.377 4.580 -0.203 1
1 860 . 14 1 1 A 80 80 LEU C C 80 175.846 175.937 -0.091 1
1 861 . 14 1 1 A 80 80 LEU CA C 80 54.400 54.490 -0.090 1
1 862 . 14 1 1 A 80 80 LEU CB C 80 41.520 41.105 0.415 1
1 866 . 14 1 1 A 80 80 LEU N N 80 123.584 126.203 -2.619 1
1 867 . 14 1 1 A 81 81 TYR H H 81 8.090 8.071 0.019 1
1 868 . 14 1 1 A 81 81 TYR HA H 81 5.085 4.633 0.452 1
1 875 . 14 1 1 A 81 81 TYR C C 81 175.341 176.200 -0.859 1
1 876 . 14 1 1 A 81 81 TYR CA C 81 55.561 57.156 -1.595 1
1 877 . 14 1 1 A 81 81 TYR CB C 81 36.792 38.801 -2.009 1
1 882 . 14 1 1 A 81 81 TYR N N 81 123.717 125.248 -1.531 1
1 883 . 14 1 1 A 82 82 PRO HA H 82 4.358 4.541 -0.183 1
1 890 . 14 1 1 A 82 82 PRO CA C 82 64.469 64.083 0.386 1
1 891 . 14 1 1 A 82 82 PRO CB C 82 31.395 32.024 -0.629 1
1 894 . 14 1 1 A 83 83 GLY HA2 H 83 4.164 4.140 0.024 1
1 895 . 14 1 1 A 83 83 GLY HA3 H 83 3.880 4.152 -0.272 1
1 896 . 14 1 1 A 83 83 GLY C C 83 174.832 173.441 1.391 1
1 897 . 14 1 1 A 83 83 GLY CA C 83 45.437 45.575 -0.138 1
1 898 . 14 1 1 A 84 84 GLY H H 84 7.641 8.368 -0.727 1
1 899 . 14 1 1 A 84 84 GLY HA2 H 84 4.581 4.056 0.525 1
1 900 . 14 1 1 A 84 84 GLY HA3 H 84 3.788 4.075 -0.287 1
1 901 . 14 1 1 A 84 84 GLY C C 84 174.354 174.814 -0.460 1
1 902 . 14 1 1 A 84 84 GLY CA C 84 44.801 45.527 -0.726 1
1 903 . 14 1 1 A 84 84 GLY N N 84 107.816 113.622 -5.806 1
1 904 . 14 1 1 A 85 85 GLY H H 85 8.303 8.584 -0.281 1
1 905 . 14 1 1 A 85 85 GLY HA2 H 85 4.322 3.986 0.336 1
1 906 . 14 1 1 A 85 85 GLY HA3 H 85 4.113 4.018 0.095 1
1 907 . 14 1 1 A 85 85 GLY C C 85 172.757 172.946 -0.189 1
1 908 . 14 1 1 A 85 85 GLY CA C 85 44.602 45.665 -1.063 1
1 909 . 14 1 1 A 85 85 GLY N N 85 108.998 108.223 0.775 1
1 910 . 14 1 1 A 86 86 SER H H 86 8.361 8.480 -0.119 1
1 911 . 14 1 1 A 86 86 SER HA H 86 5.024 4.805 0.219 1
1 914 . 14 1 1 A 86 86 SER C C 86 173.484 172.929 0.555 1
1 915 . 14 1 1 A 86 86 SER CA C 86 57.738 57.568 0.170 1
1 916 . 14 1 1 A 86 86 SER CB C 86 66.693 66.837 -0.144 1
1 917 . 14 1 1 A 86 86 SER N N 86 111.910 116.334 -4.424 1
1 918 . 14 1 1 A 87 87 SER H H 87 8.105 7.709 0.396 1
1 919 . 14 1 1 A 87 87 SER HA H 87 4.827 5.183 -0.356 1
1 922 . 14 1 1 A 87 87 SER C C 87 173.377 173.468 -0.091 1
1 923 . 14 1 1 A 87 87 SER CA C 87 57.737 56.711 1.026 1
1 924 . 14 1 1 A 87 87 SER CB C 87 65.849 66.101 -0.252 1
1 925 . 14 1 1 A 87 87 SER N N 87 112.598 119.093 -6.495 1
1 926 . 14 1 1 A 88 88 THR H H 88 8.778 8.723 0.055 1
1 927 . 14 1 1 A 88 88 THR HA H 88 5.439 4.886 0.553 1
1 932 . 14 1 1 A 88 88 THR C C 88 173.289 173.014 0.275 1
1 933 . 14 1 1 A 88 88 THR CA C 88 62.083 61.648 0.435 1
1 934 . 14 1 1 A 88 88 THR CB C 88 72.001 71.285 0.716 1
1 936 . 14 1 1 A 88 88 THR N N 88 120.383 116.535 3.848 1
1 937 . 14 1 1 A 89 89 LEU H H 89 8.832 9.197 -0.365 1
1 938 . 14 1 1 A 89 89 LEU HA H 89 4.766 4.989 -0.223 1
1 948 . 14 1 1 A 89 89 LEU C C 89 175.440 176.719 -1.279 1
1 949 . 14 1 1 A 89 89 LEU CA C 89 53.671 53.601 0.070 1
1 950 . 14 1 1 A 89 89 LEU CB C 89 45.972 42.104 3.868 1
1 954 . 14 1 1 A 89 89 LEU N N 89 128.653 128.038 0.615 1
1 955 . 14 1 1 A 90 90 THR H H 90 8.576 8.546 0.030 1
1 956 . 14 1 1 A 90 90 THR HA H 90 5.622 4.974 0.648 1
1 961 . 14 1 1 A 90 90 THR C C 90 174.307 174.229 0.078 1
1 962 . 14 1 1 A 90 90 THR CA C 90 60.799 61.038 -0.239 1
1 963 . 14 1 1 A 90 90 THR CB C 90 71.589 70.191 1.398 1
1 965 . 14 1 1 A 90 90 THR N N 90 115.259 117.162 -1.903 1
1 966 . 14 1 1 A 91 91 GLY H H 91 9.071 8.922 0.149 1
1 967 . 14 1 1 A 91 91 GLY HA2 H 91 4.605 4.330 0.275 1
1 968 . 14 1 1 A 91 91 GLY HA3 H 91 3.960 4.383 -0.423 1
1 969 . 14 1 1 A 91 91 GLY C C 91 170.717 172.045 -1.328 1
1 970 . 14 1 1 A 91 91 GLY CA C 91 45.314 45.225 0.089 1
1 971 . 14 1 1 A 91 91 GLY N N 91 112.300 109.199 3.101 1
1 972 . 14 1 1 A 92 92 ARG H H 92 8.558 8.771 -0.213 1
1 973 . 14 1 1 A 92 92 ARG HA H 92 5.594 4.889 0.705 1
1 980 . 14 1 1 A 92 92 ARG C C 92 173.260 174.800 -1.540 1
1 981 . 14 1 1 A 92 92 ARG CA C 92 54.806 56.161 -1.355 1
1 982 . 14 1 1 A 92 92 ARG CB C 92 34.464 31.530 2.934 1
1 985 . 14 1 1 A 92 92 ARG N N 92 119.774 125.771 -5.997 1
1 986 . 14 1 1 A 93 93 VAL H H 93 8.430 8.572 -0.142 1
1 987 . 14 1 1 A 93 93 VAL HA H 93 4.081 4.560 -0.479 1
1 995 . 14 1 1 A 93 93 VAL C C 93 171.210 173.768 -2.558 1
1 996 . 14 1 1 A 93 93 VAL CA C 93 58.915 59.742 -0.827 1
1 997 . 14 1 1 A 93 93 VAL CB C 93 33.683 34.030 -0.347 1
1 1000 . 14 1 1 A 93 93 VAL N N 93 120.381 120.837 -0.456 1
1 1001 . 14 1 1 A 94 94 THR H H 94 8.129 8.784 -0.655 1
1 1002 . 14 1 1 A 94 94 THR HA H 94 5.342 4.820 0.522 1
1 1007 . 14 1 1 A 94 94 THR C C 94 174.637 174.444 0.193 1
1 1008 . 14 1 1 A 94 94 THR CA C 94 60.799 61.725 -0.926 1
1 1009 . 14 1 1 A 94 94 THR CB C 94 70.768 68.772 1.996 1
1 1011 . 14 1 1 A 94 94 THR N N 94 124.645 123.891 0.754 1
1 1012 . 14 1 1 A 95 95 THR H H 95 8.906 8.648 0.258 1
1 1013 . 14 1 1 A 95 95 THR HA H 95 4.115 4.233 -0.118 1
1 1018 . 14 1 1 A 95 95 THR C C 95 175.367 174.417 0.950 1
1 1019 . 14 1 1 A 95 95 THR CA C 95 60.909 62.585 -1.676 1
1 1020 . 14 1 1 A 95 95 THR CB C 95 70.346 69.833 0.513 1
1 1022 . 14 1 1 A 95 95 THR N N 95 116.835 120.791 -3.956 1
1 1023 . 14 1 1 A 96 96 LYS H H 96 7.372 8.271 -0.899 1
1 1024 . 14 1 1 A 96 96 LYS HA H 96 4.189 4.335 -0.146 1
1 1033 . 14 1 1 A 96 96 LYS C C 96 176.308 177.236 -0.928 1
1 1034 . 14 1 1 A 96 96 LYS CA C 96 55.207 56.392 -1.185 1
1 1035 . 14 1 1 A 96 96 LYS CB C 96 34.095 33.371 0.724 1
1 1039 . 14 1 1 A 96 96 LYS N N 96 116.829 123.204 -6.375 1
1 1040 . 14 1 1 A 97 97 LYS H H 97 8.113 8.569 -0.456 1
1 1041 . 14 1 1 A 97 97 LYS HA H 97 4.356 4.421 -0.065 1
1 1050 . 14 1 1 A 97 97 LYS C C 97 176.106 176.654 -0.548 1
1 1051 . 14 1 1 A 97 97 LYS CA C 97 56.260 56.145 0.115 1
1 1052 . 14 1 1 A 97 97 LYS CB C 97 33.140 33.084 0.056 1
1 1056 . 14 1 1 A 97 97 LYS N N 97 119.233 121.273 -2.040 1
1 1057 . 14 1 1 A 98 98 ALA H H 98 8.484 8.498 -0.014 1
1 1058 . 14 1 1 A 98 98 ALA HA H 98 4.054 3.964 0.090 1
1 1062 . 14 1 1 A 98 98 ALA C C 98 175.754 175.693 0.061 1
1 1063 . 14 1 1 A 98 98 ALA CA C 98 50.511 50.703 -0.192 1
1 1064 . 14 1 1 A 98 98 ALA CB C 98 17.093 17.609 -0.516 1
1 1065 . 14 1 1 A 98 98 ALA N N 98 126.424 125.911 0.513 1
1 1066 . 14 1 1 A 99 99 PRO HA H 99 4.313 4.536 -0.223 1
1 1073 . 14 1 1 A 99 99 PRO C C 99 176.506 177.838 -1.332 1
1 1074 . 14 1 1 A 99 99 PRO CA C 99 62.584 62.630 -0.046 1
1 1075 . 14 1 1 A 99 99 PRO CB C 99 32.024 31.648 0.376 1
1 1078 . 14 1 1 A 100 100 SER H H 100 8.377 8.729 -0.352 1
1 1079 . 14 1 1 A 100 100 SER HA H 100 4.688 4.218 0.470 1
1 1082 . 14 1 1 A 100 100 SER CA C 100 56.296 62.897 -6.601 1
1 1083 . 14 1 1 A 100 100 SER CB C 100 63.276 61.602 1.674 1
1 1084 . 14 1 1 A 100 100 SER N N 100 117.700 119.414 -1.714 1
1 1086 . 14 1 1 A 103 103 SER HA H 103 4.507 4.348 0.159 1
1 1089 . 14 1 1 A 103 103 SER CA C 103 58.198 58.830 -0.632 1
1 1090 . 14 1 1 A 103 103 SER CB C 103 63.882 63.399 0.483 1
1 1091 . 14 1 1 A 104 104 GLY H H 104 8.233 8.587 -0.354 1
1 1092 . 14 1 1 A 104 104 GLY HA2 H 104 4.124 4.256 -0.132 1
1 1093 . 14 1 1 A 104 104 GLY HA3 H 104 4.124 4.257 -0.133 1
1 1094 . 14 1 1 A 104 104 GLY CA C 104 44.608 46.513 -1.905 1
1 1095 . 14 1 1 A 104 104 GLY N N 104 110.600 113.195 -2.595 1
1 1096 . 14 1 1 A 105 105 PRO HA H 105 4.460 4.651 -0.191 1
1 1103 . 14 1 1 A 105 105 PRO CA C 105 63.264 62.232 1.032 1
1 1104 . 14 1 1 A 105 105 PRO CB C 105 32.094 29.415 2.679 1
1 1 . 15 1 1 A 6 6 SER HA H 6 4.470 4.927 -0.457 1
1 3 . 15 1 1 A 6 6 SER C C 6 175.031 173.495 1.536 1
1 4 . 15 1 1 A 6 6 SER CA C 6 58.687 57.476 1.211 1
1 5 . 15 1 1 A 6 6 SER CB C 6 63.635 63.859 -0.224 1
1 6 . 15 1 1 A 7 7 GLY H H 7 8.390 8.723 -0.333 1
1 7 . 15 1 1 A 7 7 GLY HA2 H 7 3.941 4.261 -0.320 1
1 8 . 15 1 1 A 7 7 GLY HA3 H 7 3.941 4.261 -0.320 1
1 9 . 15 1 1 A 7 7 GLY C C 7 173.892 173.709 0.183 1
1 10 . 15 1 1 A 7 7 GLY CA C 7 45.348 44.853 0.495 1
1 11 . 15 1 1 A 7 7 GLY N N 7 110.659 112.568 -1.909 1
1 12 . 15 1 1 A 8 8 LEU H H 8 8.017 8.957 -0.940 1
1 13 . 15 1 1 A 8 8 LEU HA H 8 4.347 4.563 -0.216 1
1 23 . 15 1 1 A 8 8 LEU C C 8 176.816 175.924 0.892 1
1 24 . 15 1 1 A 8 8 LEU CA C 8 54.760 54.206 0.554 1
1 25 . 15 1 1 A 8 8 LEU CB C 8 42.565 41.286 1.279 1
1 29 . 15 1 1 A 8 8 LEU N N 8 121.546 127.414 -5.868 1
1 30 . 15 1 1 A 9 9 ALA H H 9 8.291 7.248 1.043 1
1 31 . 15 1 1 A 9 9 ALA HA H 9 4.589 4.252 0.337 1
1 35 . 15 1 1 A 9 9 ALA C C 9 174.928 175.880 -0.952 1
1 36 . 15 1 1 A 9 9 ALA CA C 9 50.381 50.894 -0.513 1
1 37 . 15 1 1 A 9 9 ALA CB C 9 18.293 18.678 -0.385 1
1 38 . 15 1 1 A 9 9 ALA N N 9 126.618 123.537 3.081 1
1 39 . 15 1 1 A 10 10 PRO HA H 10 4.708 4.588 0.120 1
1 45 . 15 1 1 A 10 10 PRO CA C 10 61.347 62.037 -0.690 1
1 46 . 15 1 1 A 10 10 PRO CB C 10 30.783 32.023 -1.240 1
1 49 . 15 1 1 A 11 11 PRO HA H 11 4.442 4.360 0.082 1
1 56 . 15 1 1 A 11 11 PRO C C 11 176.585 176.595 -0.010 1
1 57 . 15 1 1 A 11 11 PRO CA C 11 63.016 65.044 -2.028 1
1 58 . 15 1 1 A 11 11 PRO CB C 11 32.096 32.061 0.035 1
1 61 . 15 1 1 A 12 12 ARG H H 12 8.348 7.557 0.791 1
1 62 . 15 1 1 A 12 12 ARG HA H 12 4.405 4.815 -0.410 1
1 69 . 15 1 1 A 12 12 ARG C C 12 175.204 174.406 0.798 1
1 70 . 15 1 1 A 12 12 ARG CA C 12 55.797 53.998 1.799 1
1 71 . 15 1 1 A 12 12 ARG CB C 12 32.052 35.203 -3.151 1
1 74 . 15 1 1 A 12 12 ARG N N 12 120.519 117.613 2.906 1
1 75 . 15 1 1 A 13 13 HIS H H 13 8.296 8.734 -0.438 1
1 76 . 15 1 1 A 13 13 HIS HA H 13 4.815 5.195 -0.380 1
1 81 . 15 1 1 A 13 13 HIS C C 13 174.544 175.034 -0.490 1
1 82 . 15 1 1 A 13 13 HIS CA C 13 55.783 54.789 0.994 1
1 83 . 15 1 1 A 13 13 HIS CB C 13 32.469 32.285 0.184 1
1 86 . 15 1 1 A 13 13 HIS N N 13 118.569 117.144 1.425 1
1 87 . 15 1 1 A 14 14 LEU H H 14 8.209 8.642 -0.433 1
1 88 . 15 1 1 A 14 14 LEU HA H 14 4.655 4.665 -0.010 1
1 98 . 15 1 1 A 14 14 LEU C C 14 175.977 176.475 -0.498 1
1 99 . 15 1 1 A 14 14 LEU CA C 14 53.935 54.165 -0.230 1
1 100 . 15 1 1 A 14 14 LEU CB C 14 44.113 43.447 0.666 1
1 104 . 15 1 1 A 14 14 LEU N N 14 120.625 122.738 -2.113 1
1 105 . 15 1 1 A 15 15 GLY H H 15 7.988 7.358 0.630 1
1 106 . 15 1 1 A 15 15 GLY HA2 H 15 4.008 3.685 0.323 1
1 107 . 15 1 1 A 15 15 GLY HA3 H 15 2.486 4.041 -1.555 1
1 108 . 15 1 1 A 15 15 GLY C C 15 170.056 170.897 -0.841 1
1 109 . 15 1 1 A 15 15 GLY CA C 15 43.188 45.099 -1.911 1
1 110 . 15 1 1 A 15 15 GLY N N 15 111.142 108.393 2.749 1
1 111 . 15 1 1 A 16 16 PHE H H 16 8.078 8.898 -0.820 1
1 112 . 15 1 1 A 16 16 PHE HA H 16 5.830 5.486 0.344 1
1 120 . 15 1 1 A 16 16 PHE C C 16 175.968 174.859 1.109 1
1 121 . 15 1 1 A 16 16 PHE CA C 16 56.048 57.088 -1.040 1
1 122 . 15 1 1 A 16 16 PHE CB C 16 43.353 42.343 1.010 1
1 128 . 15 1 1 A 16 16 PHE N N 16 114.388 122.491 -8.103 1
1 129 . 15 1 1 A 17 17 SER H H 17 9.811 9.425 0.386 1
1 130 . 15 1 1 A 17 17 SER HA H 17 4.883 5.067 -0.184 1
1 133 . 15 1 1 A 17 17 SER C C 17 171.638 172.643 -1.005 1
1 134 . 15 1 1 A 17 17 SER CA C 17 57.073 56.121 0.952 1
1 135 . 15 1 1 A 17 17 SER CB C 17 66.893 66.811 0.082 1
1 136 . 15 1 1 A 17 17 SER N N 17 118.688 116.314 2.374 1
1 137 . 15 1 1 A 18 18 ASP H H 18 9.001 8.750 0.251 1
1 138 . 15 1 1 A 18 18 ASP HA H 18 4.171 4.127 0.044 1
1 141 . 15 1 1 A 18 18 ASP C C 18 174.520 175.020 -0.500 1
1 142 . 15 1 1 A 18 18 ASP CA C 18 55.333 55.105 0.228 1
1 143 . 15 1 1 A 18 18 ASP CB C 18 40.075 39.345 0.730 1
1 144 . 15 1 1 A 18 18 ASP N N 18 116.878 121.173 -4.295 1
1 145 . 15 1 1 A 19 19 VAL H H 19 8.202 7.862 0.340 1
1 146 . 15 1 1 A 19 19 VAL HA H 19 4.169 4.049 0.120 1
1 154 . 15 1 1 A 19 19 VAL C C 19 176.641 175.009 1.632 1
1 155 . 15 1 1 A 19 19 VAL CA C 19 63.962 62.864 1.098 1
1 156 . 15 1 1 A 19 19 VAL CB C 19 31.236 32.721 -1.485 1
1 159 . 15 1 1 A 19 19 VAL N N 19 117.253 119.382 -2.129 1
1 160 . 15 1 1 A 20 20 SER H H 20 9.066 8.941 0.125 1
1 161 . 15 1 1 A 20 20 SER HA H 20 5.061 5.026 0.035 1
1 164 . 15 1 1 A 20 20 SER C C 20 174.081 175.027 -0.946 1
1 165 . 15 1 1 A 20 20 SER CA C 20 55.582 57.407 -1.825 1
1 166 . 15 1 1 A 20 20 SER CB C 20 65.090 66.722 -1.632 1
1 167 . 15 1 1 A 20 20 SER N N 20 126.686 125.460 1.226 1
1 168 . 15 1 1 A 21 21 HIS H H 21 8.635 8.988 -0.353 1
1 169 . 15 1 1 A 21 21 HIS HA H 21 4.895 4.356 0.539 1
1 174 . 15 1 1 A 21 21 HIS C C 21 175.242 175.257 -0.015 1
1 175 . 15 1 1 A 21 21 HIS CA C 21 56.934 57.637 -0.703 1
1 176 . 15 1 1 A 21 21 HIS CB C 21 30.651 29.424 1.227 1
1 179 . 15 1 1 A 21 21 HIS N N 21 117.241 121.401 -4.160 1
1 180 . 15 1 1 A 22 22 ASP H H 22 7.400 7.787 -0.387 1
1 181 . 15 1 1 A 22 22 ASP HA H 22 4.803 4.940 -0.137 1
1 184 . 15 1 1 A 22 22 ASP C C 22 176.754 175.040 1.714 1
1 185 . 15 1 1 A 22 22 ASP CA C 22 52.316 53.010 -0.694 1
1 186 . 15 1 1 A 22 22 ASP CB C 22 41.697 41.651 0.046 1
1 187 . 15 1 1 A 22 22 ASP N N 22 115.766 116.585 -0.819 1
1 188 . 15 1 1 A 23 23 ALA H H 23 7.379 7.455 -0.076 1
1 189 . 15 1 1 A 23 23 ALA HA H 23 4.753 4.845 -0.092 1
1 193 . 15 1 1 A 23 23 ALA C C 23 174.757 175.060 -0.303 1
1 194 . 15 1 1 A 23 23 ALA CA C 23 51.613 51.578 0.035 1
1 195 . 15 1 1 A 23 23 ALA CB C 23 22.882 22.538 0.344 1
1 196 . 15 1 1 A 23 23 ALA N N 23 122.521 119.379 3.142 1
1 197 . 15 1 1 A 24 24 ALA H H 24 7.745 8.359 -0.614 1
1 198 . 15 1 1 A 24 24 ALA HA H 24 4.593 4.863 -0.270 1
1 202 . 15 1 1 A 24 24 ALA C C 24 173.662 174.988 -1.326 1
1 203 . 15 1 1 A 24 24 ALA CA C 24 52.233 51.790 0.443 1
1 204 . 15 1 1 A 24 24 ALA CB C 24 22.894 23.008 -0.114 1
1 205 . 15 1 1 A 24 24 ALA N N 24 115.485 119.652 -4.167 1
1 206 . 15 1 1 A 25 25 ARG H H 25 8.690 8.427 0.263 1
1 207 . 15 1 1 A 25 25 ARG HA H 25 5.209 4.902 0.307 1
1 214 . 15 1 1 A 25 25 ARG C C 25 174.777 174.892 -0.115 1
1 215 . 15 1 1 A 25 25 ARG CA C 25 55.161 54.966 0.195 1
1 216 . 15 1 1 A 25 25 ARG CB C 25 32.329 31.735 0.594 1
1 219 . 15 1 1 A 25 25 ARG N N 25 122.853 123.956 -1.103 1
1 220 . 15 1 1 A 26 26 VAL H H 26 8.865 9.029 -0.164 1
1 221 . 15 1 1 A 26 26 VAL HA H 26 5.120 4.458 0.662 1
1 229 . 15 1 1 A 26 26 VAL C C 26 172.428 175.120 -2.692 1
1 230 . 15 1 1 A 26 26 VAL CA C 26 57.420 60.967 -3.547 1
1 231 . 15 1 1 A 26 26 VAL CB C 26 34.734 33.221 1.513 1
1 234 . 15 1 1 A 26 26 VAL N N 26 125.534 127.488 -1.954 1
1 235 . 15 1 1 A 27 27 PHE H H 27 8.520 8.614 -0.094 1
1 236 . 15 1 1 A 27 27 PHE HA H 27 5.039 5.103 -0.064 1
1 244 . 15 1 1 A 27 27 PHE C C 27 172.979 172.716 0.263 1
1 245 . 15 1 1 A 27 27 PHE CA C 27 56.293 55.161 1.132 1
1 246 . 15 1 1 A 27 27 PHE CB C 27 42.190 42.739 -0.549 1
1 252 . 15 1 1 A 27 27 PHE N N 27 123.552 121.847 1.705 1
1 253 . 15 1 1 A 28 28 TRP H H 28 7.813 7.809 0.004 1
1 254 . 15 1 1 A 28 28 TRP HA H 28 5.058 5.541 -0.483 1
1 263 . 15 1 1 A 28 28 TRP C C 28 174.131 175.849 -1.718 1
1 264 . 15 1 1 A 28 28 TRP CA C 28 55.730 54.541 1.189 1
1 265 . 15 1 1 A 28 28 TRP CB C 28 30.997 32.585 -1.588 1
1 271 . 15 1 1 A 28 28 TRP N N 28 116.968 119.157 -2.189 1
1 273 . 15 1 1 A 29 29 GLU H H 29 8.362 9.096 -0.734 1
1 274 . 15 1 1 A 29 29 GLU HA H 29 4.356 4.500 -0.144 1
1 279 . 15 1 1 A 29 29 GLU C C 29 177.125 176.832 0.293 1
1 280 . 15 1 1 A 29 29 GLU CA C 29 55.820 56.272 -0.452 1
1 281 . 15 1 1 A 29 29 GLU CB C 29 31.085 29.925 1.160 1
1 283 . 15 1 1 A 29 29 GLU N N 29 119.239 118.121 1.118 1
1 284 . 15 1 1 A 30 30 GLY H H 30 8.729 8.267 0.462 1
1 285 . 15 1 1 A 30 30 GLY HA2 H 30 4.051 4.203 -0.152 1
1 286 . 15 1 1 A 30 30 GLY HA3 H 30 3.781 4.407 -0.626 1
1 287 . 15 1 1 A 30 30 GLY C C 30 173.621 172.682 0.939 1
1 288 . 15 1 1 A 30 30 GLY CA C 30 45.559 44.884 0.675 1
1 289 . 15 1 1 A 30 30 GLY N N 30 110.979 107.725 3.254 1
1 290 . 15 1 1 A 31 31 ALA H H 31 8.747 8.162 0.585 1
1 291 . 15 1 1 A 31 31 ALA HA H 31 4.577 4.869 -0.292 1
1 295 . 15 1 1 A 31 31 ALA C C 31 177.064 177.512 -0.448 1
1 296 . 15 1 1 A 31 31 ALA CA C 31 50.416 49.348 1.068 1
1 297 . 15 1 1 A 31 31 ALA CB C 31 19.221 21.227 -2.006 1
1 298 . 15 1 1 A 31 31 ALA N N 31 126.357 121.609 4.748 1
1 299 . 15 1 1 A 32 32 PRO HA H 32 4.630 4.470 0.160 1
1 306 . 15 1 1 A 32 32 PRO C C 32 175.001 175.198 -0.197 1
1 307 . 15 1 1 A 32 32 PRO CA C 32 63.368 64.008 -0.640 1
1 308 . 15 1 1 A 32 32 PRO CB C 32 30.738 31.658 -0.920 1
1 311 . 15 1 1 A 33 33 ARG H H 33 7.418 7.397 0.021 1
1 312 . 15 1 1 A 33 33 ARG HA H 33 4.746 4.751 -0.005 1
1 319 . 15 1 1 A 33 33 ARG C C 33 172.695 173.343 -0.648 1
1 320 . 15 1 1 A 33 33 ARG CA C 33 53.205 53.907 -0.702 1
1 321 . 15 1 1 A 33 33 ARG CB C 33 30.414 32.556 -2.142 1
1 324 . 15 1 1 A 33 33 ARG N N 33 117.994 113.698 4.296 1
1 325 . 15 1 1 A 34 34 PRO HA H 34 4.273 4.791 -0.518 1
1 332 . 15 1 1 A 34 34 PRO C C 34 175.342 175.299 0.043 1
1 333 . 15 1 1 A 34 34 PRO CA C 34 64.037 62.662 1.375 1
1 334 . 15 1 1 A 34 34 PRO CB C 34 32.581 32.441 0.140 1
1 337 . 15 1 1 A 35 35 VAL H H 35 8.264 8.445 -0.181 1
1 338 . 15 1 1 A 35 35 VAL HA H 35 4.237 5.040 -0.803 1
1 346 . 15 1 1 A 35 35 VAL C C 35 175.771 176.389 -0.618 1
1 347 . 15 1 1 A 35 35 VAL CA C 35 61.890 59.739 2.151 1
1 348 . 15 1 1 A 35 35 VAL CB C 35 35.092 35.374 -0.282 1
1 351 . 15 1 1 A 35 35 VAL N N 35 122.377 122.300 0.077 1
1 352 . 15 1 1 A 36 36 ARG H H 36 9.278 8.689 0.589 1
1 353 . 15 1 1 A 36 36 ARG HA H 36 4.426 4.488 -0.062 1
1 360 . 15 1 1 A 36 36 ARG C C 36 175.620 175.971 -0.351 1
1 361 . 15 1 1 A 36 36 ARG CA C 36 57.672 57.233 0.439 1
1 362 . 15 1 1 A 36 36 ARG CB C 36 31.595 31.294 0.301 1
1 365 . 15 1 1 A 36 36 ARG N N 36 125.821 124.437 1.384 1
1 366 . 15 1 1 A 37 37 LEU H H 37 7.525 7.102 0.423 1
1 367 . 15 1 1 A 37 37 LEU HA H 37 4.403 4.852 -0.449 1
1 377 . 15 1 1 A 37 37 LEU C C 37 172.405 174.426 -2.021 1
1 378 . 15 1 1 A 37 37 LEU CA C 37 54.913 53.912 1.001 1
1 379 . 15 1 1 A 37 37 LEU CB C 37 46.166 45.872 0.294 1
1 383 . 15 1 1 A 37 37 LEU N N 37 119.761 119.303 0.458 1
1 384 . 15 1 1 A 38 38 VAL H H 38 8.513 8.897 -0.384 1
1 385 . 15 1 1 A 38 38 VAL HA H 38 4.790 4.589 0.201 1
1 393 . 15 1 1 A 38 38 VAL C C 38 174.595 174.752 -0.157 1
1 394 . 15 1 1 A 38 38 VAL CA C 38 60.992 61.362 -0.370 1
1 395 . 15 1 1 A 38 38 VAL CB C 38 33.979 34.874 -0.895 1
1 398 . 15 1 1 A 38 38 VAL N N 38 123.604 124.109 -0.505 1
1 399 . 15 1 1 A 39 39 ARG H H 39 9.025 9.049 -0.024 1
1 400 . 15 1 1 A 39 39 ARG HA H 39 4.839 4.955 -0.116 1
1 407 . 15 1 1 A 39 39 ARG C C 39 174.581 175.340 -0.759 1
1 408 . 15 1 1 A 39 39 ARG CA C 39 55.150 54.908 0.242 1
1 409 . 15 1 1 A 39 39 ARG CB C 39 32.919 32.834 0.085 1
1 412 . 15 1 1 A 39 39 ARG N N 39 126.442 126.654 -0.212 1
1 413 . 15 1 1 A 40 40 VAL H H 40 9.059 8.962 0.097 1
1 414 . 15 1 1 A 40 40 VAL HA H 40 5.177 5.180 -0.003 1
1 422 . 15 1 1 A 40 40 VAL C C 40 175.508 174.837 0.671 1
1 423 . 15 1 1 A 40 40 VAL CA C 40 60.513 61.053 -0.540 1
1 424 . 15 1 1 A 40 40 VAL CB C 40 33.390 34.770 -1.380 1
1 427 . 15 1 1 A 40 40 VAL N N 40 127.219 122.883 4.336 1
1 428 . 15 1 1 A 41 41 THR H H 41 9.244 9.044 0.200 1
1 429 . 15 1 1 A 41 41 THR HA H 41 5.056 5.416 -0.360 1
1 434 . 15 1 1 A 41 41 THR C C 41 173.323 173.712 -0.389 1
1 435 . 15 1 1 A 41 41 THR CA C 41 59.618 60.714 -1.096 1
1 436 . 15 1 1 A 41 41 THR CB C 41 71.668 70.660 1.008 1
1 438 . 15 1 1 A 41 41 THR N N 41 117.579 120.147 -2.568 1
1 439 . 15 1 1 A 42 42 TYR H H 42 7.955 7.940 0.015 1
1 440 . 15 1 1 A 42 42 TYR HA H 42 5.825 6.224 -0.399 1
1 447 . 15 1 1 A 42 42 TYR C C 42 173.794 173.841 -0.047 1
1 448 . 15 1 1 A 42 42 TYR CA C 42 54.314 55.460 -1.146 1
1 449 . 15 1 1 A 42 42 TYR CB C 42 39.788 41.999 -2.211 1
1 454 . 15 1 1 A 42 42 TYR N N 42 117.304 120.930 -3.626 1
1 455 . 15 1 1 A 43 43 VAL H H 43 8.547 8.849 -0.302 1
1 456 . 15 1 1 A 43 43 VAL HA H 43 5.069 4.855 0.214 1
1 464 . 15 1 1 A 43 43 VAL C C 43 174.912 174.286 0.626 1
1 465 . 15 1 1 A 43 43 VAL CA C 43 60.142 60.220 -0.078 1
1 466 . 15 1 1 A 43 43 VAL CB C 43 35.329 35.660 -0.331 1
1 469 . 15 1 1 A 43 43 VAL N N 43 119.038 121.536 -2.498 1
1 470 . 15 1 1 A 44 44 SER H H 44 9.123 8.621 0.502 1
1 471 . 15 1 1 A 44 44 SER HA H 44 4.307 2.719 1.588 1
1 474 . 15 1 1 A 44 44 SER C C 44 176.777 175.466 1.311 1
1 475 . 15 1 1 A 44 44 SER CA C 44 57.838 57.088 0.750 1
1 476 . 15 1 1 A 44 44 SER CB C 44 64.064 64.732 -0.668 1
1 477 . 15 1 1 A 44 44 SER N N 44 124.942 119.772 5.170 1
1 478 . 15 1 1 A 45 45 SER H H 45 8.562 8.728 -0.166 1
1 479 . 15 1 1 A 45 45 SER HA H 45 4.175 4.081 0.094 1
1 482 . 15 1 1 A 45 45 SER C C 45 175.366 176.394 -1.028 1
1 483 . 15 1 1 A 45 45 SER CA C 45 61.239 61.364 -0.125 1
1 484 . 15 1 1 A 45 45 SER CB C 45 62.976 62.681 0.295 1
1 485 . 15 1 1 A 45 45 SER N N 45 119.157 115.063 4.094 1
1 486 . 15 1 1 A 46 46 GLU H H 46 8.321 7.970 0.351 1
1 487 . 15 1 1 A 46 46 GLU HA H 46 4.442 4.242 0.200 1
1 492 . 15 1 1 A 46 46 GLU C C 46 177.463 176.156 1.307 1
1 493 . 15 1 1 A 46 46 GLU CA C 46 56.409 56.084 0.325 1
1 494 . 15 1 1 A 46 46 GLU CB C 46 29.633 29.998 -0.365 1
1 496 . 15 1 1 A 46 46 GLU N N 46 119.112 116.818 2.294 1
1 497 . 15 1 1 A 47 47 GLY H H 47 8.129 7.354 0.775 1
1 498 . 15 1 1 A 47 47 GLY HA2 H 47 4.150 4.024 0.126 1
1 499 . 15 1 1 A 47 47 GLY HA3 H 47 3.646 4.052 -0.406 1
1 500 . 15 1 1 A 47 47 GLY C C 47 175.047 173.787 1.260 1
1 501 . 15 1 1 A 47 47 GLY CA C 47 45.400 44.138 1.262 1
1 502 . 15 1 1 A 47 47 GLY N N 47 109.344 107.393 1.951 1
1 503 . 15 1 1 A 48 48 GLY H H 48 7.927 8.427 -0.500 1
1 504 . 15 1 1 A 48 48 GLY HA2 H 48 3.982 4.009 -0.027 1
1 505 . 15 1 1 A 48 48 GLY HA3 H 48 3.855 4.021 -0.166 1
1 506 . 15 1 1 A 48 48 GLY C C 48 173.614 173.892 -0.278 1
1 507 . 15 1 1 A 48 48 GLY CA C 48 46.073 45.301 0.772 1
1 508 . 15 1 1 A 48 48 GLY N N 48 107.840 107.202 0.638 1
1 509 . 15 1 1 A 49 49 HIS H H 49 7.985 7.792 0.193 1
1 510 . 15 1 1 A 49 49 HIS HA H 49 4.951 4.952 -0.001 1
1 515 . 15 1 1 A 49 49 HIS C C 49 173.760 173.654 0.106 1
1 516 . 15 1 1 A 49 49 HIS CA C 49 56.608 54.465 2.143 1
1 517 . 15 1 1 A 49 49 HIS CB C 49 33.119 32.396 0.723 1
1 520 . 15 1 1 A 49 49 HIS N N 49 120.577 121.406 -0.829 1
1 521 . 15 1 1 A 50 50 SER H H 50 8.118 8.636 -0.518 1
1 522 . 15 1 1 A 50 50 SER HA H 50 5.184 4.895 0.289 1
1 525 . 15 1 1 A 50 50 SER C C 50 172.582 172.807 -0.225 1
1 526 . 15 1 1 A 50 50 SER CA C 50 56.463 57.004 -0.541 1
1 527 . 15 1 1 A 50 50 SER CB C 50 66.423 66.719 -0.296 1
1 528 . 15 1 1 A 50 50 SER N N 50 120.879 120.581 0.298 1
1 529 . 15 1 1 A 51 51 GLY H H 51 7.900 8.164 -0.264 1
1 530 . 15 1 1 A 51 51 GLY HA2 H 51 4.027 3.787 0.240 1
1 531 . 15 1 1 A 51 51 GLY HA3 H 51 3.236 4.154 -0.918 1
1 532 . 15 1 1 A 51 51 GLY C C 51 171.073 171.845 -0.772 1
1 533 . 15 1 1 A 51 51 GLY CA C 51 44.696 45.295 -0.599 1
1 534 . 15 1 1 A 51 51 GLY N N 51 108.215 106.689 1.526 1
1 535 . 15 1 1 A 52 52 GLN H H 52 8.256 8.455 -0.199 1
1 536 . 15 1 1 A 52 52 GLN HA H 52 5.308 5.045 0.263 1
1 543 . 15 1 1 A 52 52 GLN C C 52 174.217 173.511 0.706 1
1 544 . 15 1 1 A 52 52 GLN CA C 52 54.516 55.624 -1.108 1
1 545 . 15 1 1 A 52 52 GLN CB C 52 32.541 31.372 1.169 1
1 547 . 15 1 1 A 52 52 GLN N N 52 115.667 119.366 -3.699 1
1 549 . 15 1 1 A 53 53 THR H H 53 9.298 9.190 0.108 1
1 550 . 15 1 1 A 53 53 THR HA H 53 4.753 5.182 -0.429 1
1 555 . 15 1 1 A 53 53 THR C C 53 171.720 173.180 -1.460 1
1 556 . 15 1 1 A 53 53 THR CA C 53 60.869 60.074 0.795 1
1 557 . 15 1 1 A 53 53 THR CB C 53 70.580 71.884 -1.304 1
1 559 . 15 1 1 A 53 53 THR N N 53 117.486 121.125 -3.639 1
1 560 . 15 1 1 A 54 54 GLU H H 54 8.404 8.654 -0.250 1
1 561 . 15 1 1 A 54 54 GLU HA H 54 5.378 5.063 0.315 1
1 566 . 15 1 1 A 54 54 GLU C C 54 174.705 175.788 -1.083 1
1 567 . 15 1 1 A 54 54 GLU CA C 54 54.693 54.889 -0.196 1
1 568 . 15 1 1 A 54 54 GLU CB C 54 33.434 33.133 0.301 1
1 570 . 15 1 1 A 54 54 GLU N N 54 123.651 126.619 -2.968 1
1 571 . 15 1 1 A 55 55 ALA H H 55 9.471 9.030 0.441 1
1 572 . 15 1 1 A 55 55 ALA HA H 55 5.056 5.053 0.003 1
1 576 . 15 1 1 A 55 55 ALA C C 55 172.938 174.342 -1.404 1
1 577 . 15 1 1 A 55 55 ALA CA C 55 49.216 50.077 -0.861 1
1 578 . 15 1 1 A 55 55 ALA CB C 55 20.410 22.661 -2.251 1
1 579 . 15 1 1 A 55 55 ALA N N 55 126.815 123.907 2.908 1
1 580 . 15 1 1 A 56 56 PRO HA H 56 4.630 4.592 0.038 1
1 587 . 15 1 1 A 56 56 PRO C C 56 176.935 177.614 -0.679 1
1 588 . 15 1 1 A 56 56 PRO CA C 56 62.303 62.632 -0.329 1
1 589 . 15 1 1 A 56 56 PRO CB C 56 32.745 32.661 0.084 1
1 592 . 15 1 1 A 57 57 GLY H H 57 8.240 8.327 -0.087 1
1 593 . 15 1 1 A 57 57 GLY HA2 H 57 3.839 3.893 -0.054 1
1 594 . 15 1 1 A 57 57 GLY HA3 H 57 3.547 3.901 -0.354 1
1 595 . 15 1 1 A 57 57 GLY C C 57 173.839 174.701 -0.862 1
1 596 . 15 1 1 A 57 57 GLY CA C 57 47.092 46.594 0.498 1
1 597 . 15 1 1 A 57 57 GLY N N 57 104.338 109.429 -5.091 1
1 598 . 15 1 1 A 58 58 ASN H H 58 7.935 7.934 0.001 1
1 599 . 15 1 1 A 58 58 ASN HA H 58 4.778 4.926 -0.148 1
1 604 . 15 1 1 A 58 58 ASN C C 58 175.578 174.850 0.728 1
1 605 . 15 1 1 A 58 58 ASN CA C 58 52.176 53.220 -1.044 1
1 606 . 15 1 1 A 58 58 ASN CB C 58 37.384 39.517 -2.133 1
1 607 . 15 1 1 A 58 58 ASN N N 58 114.653 116.594 -1.941 1
1 609 . 15 1 1 A 59 59 ALA H H 59 8.041 7.639 0.402 1
1 610 . 15 1 1 A 59 59 ALA HA H 59 4.360 4.530 -0.170 1
1 614 . 15 1 1 A 59 59 ALA C C 59 177.738 178.464 -0.726 1
1 615 . 15 1 1 A 59 59 ALA CA C 59 52.792 50.827 1.965 1
1 616 . 15 1 1 A 59 59 ALA CB C 59 20.834 20.286 0.548 1
1 617 . 15 1 1 A 59 59 ALA N N 59 124.183 123.227 0.956 1
1 618 . 15 1 1 A 60 60 THR H H 60 8.274 8.760 -0.486 1
1 619 . 15 1 1 A 60 60 THR HA H 60 3.299 4.096 -0.797 1
1 624 . 15 1 1 A 60 60 THR C C 60 171.681 172.969 -1.288 1
1 625 . 15 1 1 A 60 60 THR CA C 60 59.732 60.643 -0.911 1
1 626 . 15 1 1 A 60 60 THR CB C 60 69.010 68.793 0.217 1
1 628 . 15 1 1 A 60 60 THR N N 60 108.095 113.041 -4.946 1
1 629 . 15 1 1 A 61 61 SER H H 61 6.728 7.383 -0.655 1
1 630 . 15 1 1 A 61 61 SER HA H 61 4.584 4.477 0.107 1
1 633 . 15 1 1 A 61 61 SER C C 61 172.948 172.657 0.291 1
1 634 . 15 1 1 A 61 61 SER CA C 61 57.403 57.267 0.136 1
1 635 . 15 1 1 A 61 61 SER CB C 61 65.767 65.115 0.652 1
1 636 . 15 1 1 A 61 61 SER N N 61 110.991 113.273 -2.282 1
1 637 . 15 1 1 A 62 62 ALA H H 62 8.954 8.834 0.120 1
1 638 . 15 1 1 A 62 62 ALA HA H 62 4.581 5.147 -0.566 1
1 642 . 15 1 1 A 62 62 ALA C C 62 174.741 176.079 -1.338 1
1 643 . 15 1 1 A 62 62 ALA CA C 62 51.949 51.216 0.733 1
1 644 . 15 1 1 A 62 62 ALA CB C 62 21.659 23.789 -2.130 1
1 645 . 15 1 1 A 62 62 ALA N N 62 119.306 122.584 -3.278 1
1 646 . 15 1 1 A 63 63 MET H H 63 8.599 8.595 0.004 1
1 647 . 15 1 1 A 63 63 MET HA H 63 4.993 5.338 -0.345 1
1 655 . 15 1 1 A 63 63 MET C C 63 175.386 175.211 0.175 1
1 656 . 15 1 1 A 63 63 MET CA C 63 53.760 54.220 -0.460 1
1 657 . 15 1 1 A 63 63 MET CB C 63 31.842 34.748 -2.906 1
1 660 . 15 1 1 A 63 63 MET N N 63 120.537 118.878 1.659 1
1 661 . 15 1 1 A 64 64 LEU H H 64 9.244 8.899 0.345 1
1 662 . 15 1 1 A 64 64 LEU HA H 64 4.494 5.098 -0.604 1
1 672 . 15 1 1 A 64 64 LEU C C 64 175.976 175.705 0.271 1
1 673 . 15 1 1 A 64 64 LEU CA C 64 52.988 53.086 -0.098 1
1 674 . 15 1 1 A 64 64 LEU CB C 64 42.785 45.447 -2.662 1
1 678 . 15 1 1 A 64 64 LEU N N 64 124.823 121.854 2.969 1
1 679 . 15 1 1 A 65 65 GLY H H 65 7.516 8.116 -0.600 1
1 680 . 15 1 1 A 65 65 GLY HA2 H 65 4.505 3.995 0.510 1
1 681 . 15 1 1 A 65 65 GLY HA3 H 65 3.237 4.043 -0.806 1
1 682 . 15 1 1 A 65 65 GLY C C 65 170.608 172.055 -1.447 1
1 683 . 15 1 1 A 65 65 GLY CA C 65 44.505 44.588 -0.083 1
1 684 . 15 1 1 A 65 65 GLY N N 65 106.855 108.582 -1.727 1
1 685 . 15 1 1 A 66 66 PRO HA H 66 4.626 4.939 -0.313 1
1 692 . 15 1 1 A 66 66 PRO C C 66 176.262 176.181 0.081 1
1 693 . 15 1 1 A 66 66 PRO CA C 66 62.542 62.834 -0.292 1
1 694 . 15 1 1 A 66 66 PRO CB C 66 34.107 32.170 1.937 1
1 697 . 15 1 1 A 67 67 LEU H H 67 8.487 8.633 -0.146 1
1 698 . 15 1 1 A 67 67 LEU HA H 67 4.586 4.748 -0.162 1
1 708 . 15 1 1 A 67 67 LEU C C 67 176.158 175.669 0.489 1
1 709 . 15 1 1 A 67 67 LEU CA C 67 52.335 53.031 -0.696 1
1 710 . 15 1 1 A 67 67 LEU CB C 67 43.440 43.476 -0.036 1
1 714 . 15 1 1 A 67 67 LEU N N 67 124.582 122.652 1.930 1
1 715 . 15 1 1 A 68 68 SER H H 68 8.958 8.238 0.720 1
1 716 . 15 1 1 A 68 68 SER HA H 68 4.529 4.441 0.088 1
1 719 . 15 1 1 A 68 68 SER C C 68 174.360 173.956 0.404 1
1 720 . 15 1 1 A 68 68 SER CA C 68 58.649 57.145 1.504 1
1 721 . 15 1 1 A 68 68 SER CB C 68 64.239 64.855 -0.616 1
1 722 . 15 1 1 A 68 68 SER N N 68 117.670 117.109 0.561 1
1 723 . 15 1 1 A 69 69 SER H H 69 8.511 8.628 -0.117 1
1 724 . 15 1 1 A 69 69 SER HA H 69 5.085 5.025 0.060 1
1 727 . 15 1 1 A 69 69 SER C C 69 175.660 174.005 1.655 1
1 728 . 15 1 1 A 69 69 SER CA C 69 59.071 56.161 2.910 1
1 729 . 15 1 1 A 69 69 SER CB C 69 64.439 65.891 -1.452 1
1 730 . 15 1 1 A 69 69 SER N N 69 119.760 117.713 2.047 1
1 731 . 15 1 1 A 70 70 SER H H 70 7.974 8.831 -0.857 1
1 732 . 15 1 1 A 70 70 SER HA H 70 3.799 4.276 -0.477 1
1 735 . 15 1 1 A 70 70 SER C C 70 173.645 173.039 0.606 1
1 736 . 15 1 1 A 70 70 SER CA C 70 58.453 59.132 -0.679 1
1 737 . 15 1 1 A 70 70 SER CB C 70 62.477 61.967 0.510 1
1 738 . 15 1 1 A 70 70 SER N N 70 121.170 116.221 4.949 1
1 739 . 15 1 1 A 71 71 THR H H 71 8.325 7.881 0.444 1
1 740 . 15 1 1 A 71 71 THR HA H 71 4.482 4.712 -0.230 1
1 745 . 15 1 1 A 71 71 THR C C 71 171.950 173.866 -1.916 1
1 746 . 15 1 1 A 71 71 THR CA C 71 62.453 61.730 0.723 1
1 747 . 15 1 1 A 71 71 THR CB C 71 72.120 71.066 1.054 1
1 749 . 15 1 1 A 71 71 THR N N 71 115.265 114.918 0.347 1
1 750 . 15 1 1 A 72 72 THR H H 72 8.963 8.825 0.138 1
1 751 . 15 1 1 A 72 72 THR HA H 72 5.044 4.513 0.531 1
1 756 . 15 1 1 A 72 72 THR C C 72 173.198 173.740 -0.542 1
1 757 . 15 1 1 A 72 72 THR CA C 72 62.216 63.041 -0.825 1
1 758 . 15 1 1 A 72 72 THR CB C 72 69.392 68.993 0.399 1
1 760 . 15 1 1 A 72 72 THR N N 72 124.221 121.934 2.287 1
1 761 . 15 1 1 A 73 73 TYR H H 73 9.711 8.747 0.964 1
1 762 . 15 1 1 A 73 73 TYR HA H 73 4.852 5.325 -0.473 1
1 767 . 15 1 1 A 73 73 TYR C C 73 175.854 175.382 0.472 1
1 768 . 15 1 1 A 73 73 TYR CA C 73 57.596 56.313 1.283 1
1 769 . 15 1 1 A 73 73 TYR CB C 73 41.377 41.314 0.063 1
1 774 . 15 1 1 A 73 73 TYR N N 73 126.553 127.259 -0.706 1
1 775 . 15 1 1 A 74 74 THR H H 74 8.981 9.256 -0.275 1
1 776 . 15 1 1 A 74 74 THR HA H 74 4.648 4.726 -0.078 1
1 781 . 15 1 1 A 74 74 THR C C 74 174.296 174.248 0.048 1
1 782 . 15 1 1 A 74 74 THR CA C 74 63.156 62.745 0.411 1
1 783 . 15 1 1 A 74 74 THR CB C 74 68.916 69.190 -0.274 1
1 785 . 15 1 1 A 74 74 THR N N 74 118.190 119.237 -1.047 1
1 786 . 15 1 1 A 75 75 VAL H H 75 9.376 9.639 -0.263 1
1 787 . 15 1 1 A 75 75 VAL HA H 75 4.951 4.622 0.329 1
1 795 . 15 1 1 A 75 75 VAL C C 75 173.554 174.085 -0.531 1
1 796 . 15 1 1 A 75 75 VAL CA C 75 61.004 61.342 -0.338 1
1 797 . 15 1 1 A 75 75 VAL CB C 75 34.541 33.140 1.401 1
1 800 . 15 1 1 A 75 75 VAL N N 75 130.973 128.489 2.484 1
1 801 . 15 1 1 A 76 76 ARG H H 76 9.023 9.002 0.021 1
1 802 . 15 1 1 A 76 76 ARG HA H 76 5.218 4.947 0.271 1
1 809 . 15 1 1 A 76 76 ARG C C 76 175.034 174.752 0.282 1
1 810 . 15 1 1 A 76 76 ARG CA C 76 54.501 54.642 -0.141 1
1 811 . 15 1 1 A 76 76 ARG CB C 76 32.621 32.463 0.158 1
1 814 . 15 1 1 A 76 76 ARG N N 76 126.030 129.022 -2.992 1
1 815 . 15 1 1 A 77 77 VAL H H 77 9.155 9.055 0.100 1
1 816 . 15 1 1 A 77 77 VAL HA H 77 4.165 4.415 -0.250 1
1 824 . 15 1 1 A 77 77 VAL C C 77 174.967 175.059 -0.092 1
1 825 . 15 1 1 A 77 77 VAL CA C 77 61.626 62.007 -0.381 1
1 826 . 15 1 1 A 77 77 VAL CB C 77 33.367 31.285 2.082 1
1 829 . 15 1 1 A 77 77 VAL N N 77 125.903 127.813 -1.910 1
1 830 . 15 1 1 A 78 78 THR H H 78 9.313 9.296 0.017 1
1 831 . 15 1 1 A 78 78 THR HA H 78 5.121 4.944 0.177 1
1 836 . 15 1 1 A 78 78 THR C C 78 173.388 173.856 -0.468 1
1 837 . 15 1 1 A 78 78 THR CA C 78 61.286 61.728 -0.442 1
1 838 . 15 1 1 A 78 78 THR CB C 78 70.432 69.995 0.437 1
1 840 . 15 1 1 A 78 78 THR N N 78 126.547 123.867 2.680 1
1 841 . 15 1 1 A 79 79 CYS H H 79 8.807 8.739 0.068 1
1 842 . 15 1 1 A 79 79 CYS HA H 79 4.410 4.815 -0.405 1
1 845 . 15 1 1 A 79 79 CYS C C 79 172.501 173.312 -0.811 1
1 846 . 15 1 1 A 79 79 CYS CA C 79 58.141 57.062 1.079 1
1 847 . 15 1 1 A 79 79 CYS CB C 79 28.102 28.598 -0.496 1
1 848 . 15 1 1 A 79 79 CYS N N 79 125.160 125.867 -0.707 1
1 849 . 15 1 1 A 80 80 LEU H H 80 8.417 8.557 -0.140 1
1 850 . 15 1 1 A 80 80 LEU HA H 80 4.377 4.513 -0.136 1
1 860 . 15 1 1 A 80 80 LEU C C 80 175.846 175.766 0.080 1
1 861 . 15 1 1 A 80 80 LEU CA C 80 54.400 53.464 0.936 1
1 862 . 15 1 1 A 80 80 LEU CB C 80 41.520 41.813 -0.293 1
1 866 . 15 1 1 A 80 80 LEU N N 80 123.584 126.428 -2.844 1
1 867 . 15 1 1 A 81 81 TYR H H 81 8.090 8.507 -0.417 1
1 868 . 15 1 1 A 81 81 TYR HA H 81 5.085 4.618 0.467 1
1 875 . 15 1 1 A 81 81 TYR C C 81 175.341 174.606 0.735 1
1 876 . 15 1 1 A 81 81 TYR CA C 81 55.561 57.005 -1.444 1
1 877 . 15 1 1 A 81 81 TYR CB C 81 36.792 38.089 -1.297 1
1 882 . 15 1 1 A 81 81 TYR N N 81 123.717 125.238 -1.521 1
1 883 . 15 1 1 A 82 82 PRO HA H 82 4.358 4.437 -0.079 1
1 890 . 15 1 1 A 82 82 PRO CA C 82 64.469 63.544 0.925 1
1 891 . 15 1 1 A 82 82 PRO CB C 82 31.395 30.424 0.971 1
1 894 . 15 1 1 A 83 83 GLY HA2 H 83 4.164 4.027 0.137 1
1 895 . 15 1 1 A 83 83 GLY HA3 H 83 3.880 4.029 -0.149 1
1 896 . 15 1 1 A 83 83 GLY C C 83 174.832 174.274 0.558 1
1 897 . 15 1 1 A 83 83 GLY CA C 83 45.437 45.227 0.210 1
1 898 . 15 1 1 A 84 84 GLY H H 84 7.641 8.312 -0.671 1
1 899 . 15 1 1 A 84 84 GLY HA2 H 84 4.581 4.202 0.379 1
1 900 . 15 1 1 A 84 84 GLY HA3 H 84 3.788 4.211 -0.423 1
1 901 . 15 1 1 A 84 84 GLY C C 84 174.354 172.939 1.415 1
1 902 . 15 1 1 A 84 84 GLY CA C 84 44.801 44.988 -0.187 1
1 903 . 15 1 1 A 84 84 GLY N N 84 107.816 111.891 -4.075 1
1 904 . 15 1 1 A 85 85 GLY H H 85 8.303 8.579 -0.276 1
1 905 . 15 1 1 A 85 85 GLY HA2 H 85 4.322 4.174 0.148 1
1 906 . 15 1 1 A 85 85 GLY HA3 H 85 4.113 4.198 -0.085 1
1 907 . 15 1 1 A 85 85 GLY C C 85 172.757 173.365 -0.608 1
1 908 . 15 1 1 A 85 85 GLY CA C 85 44.602 44.199 0.403 1
1 909 . 15 1 1 A 85 85 GLY N N 85 108.998 112.656 -3.658 1
1 910 . 15 1 1 A 86 86 SER H H 86 8.361 8.695 -0.334 1
1 911 . 15 1 1 A 86 86 SER HA H 86 5.024 5.055 -0.031 1
1 914 . 15 1 1 A 86 86 SER C C 86 173.484 172.288 1.196 1
1 915 . 15 1 1 A 86 86 SER CA C 86 57.738 57.644 0.094 1
1 916 . 15 1 1 A 86 86 SER CB C 86 66.693 66.047 0.646 1
1 917 . 15 1 1 A 86 86 SER N N 86 111.910 115.574 -3.664 1
1 918 . 15 1 1 A 87 87 SER H H 87 8.105 8.183 -0.078 1
1 919 . 15 1 1 A 87 87 SER HA H 87 4.827 5.311 -0.484 1
1 922 . 15 1 1 A 87 87 SER C C 87 173.377 173.385 -0.008 1
1 923 . 15 1 1 A 87 87 SER CA C 87 57.737 56.562 1.175 1
1 924 . 15 1 1 A 87 87 SER CB C 87 65.849 65.804 0.045 1
1 925 . 15 1 1 A 87 87 SER N N 87 112.598 118.178 -5.580 1
1 926 . 15 1 1 A 88 88 THR H H 88 8.778 8.800 -0.022 1
1 927 . 15 1 1 A 88 88 THR HA H 88 5.439 4.960 0.479 1
1 932 . 15 1 1 A 88 88 THR C C 88 173.289 173.010 0.279 1
1 933 . 15 1 1 A 88 88 THR CA C 88 62.083 61.600 0.483 1
1 934 . 15 1 1 A 88 88 THR CB C 88 72.001 71.225 0.776 1
1 936 . 15 1 1 A 88 88 THR N N 88 120.383 119.572 0.811 1
1 937 . 15 1 1 A 89 89 LEU H H 89 8.832 9.328 -0.496 1
1 938 . 15 1 1 A 89 89 LEU HA H 89 4.766 4.808 -0.042 1
1 948 . 15 1 1 A 89 89 LEU C C 89 175.440 176.451 -1.011 1
1 949 . 15 1 1 A 89 89 LEU CA C 89 53.671 53.552 0.119 1
1 950 . 15 1 1 A 89 89 LEU CB C 89 45.972 41.777 4.195 1
1 954 . 15 1 1 A 89 89 LEU N N 89 128.653 127.907 0.746 1
1 955 . 15 1 1 A 90 90 THR H H 90 8.576 8.726 -0.150 1
1 956 . 15 1 1 A 90 90 THR HA H 90 5.622 4.986 0.636 1
1 961 . 15 1 1 A 90 90 THR C C 90 174.307 174.524 -0.217 1
1 962 . 15 1 1 A 90 90 THR CA C 90 60.799 61.008 -0.209 1
1 963 . 15 1 1 A 90 90 THR CB C 90 71.589 70.014 1.575 1
1 965 . 15 1 1 A 90 90 THR N N 90 115.259 117.460 -2.201 1
1 966 . 15 1 1 A 91 91 GLY H H 91 9.071 8.933 0.138 1
1 967 . 15 1 1 A 91 91 GLY HA2 H 91 4.605 4.406 0.199 1
1 968 . 15 1 1 A 91 91 GLY HA3 H 91 3.960 4.437 -0.477 1
1 969 . 15 1 1 A 91 91 GLY C C 91 170.717 172.109 -1.392 1
1 970 . 15 1 1 A 91 91 GLY CA C 91 45.314 45.626 -0.312 1
1 971 . 15 1 1 A 91 91 GLY N N 91 112.300 109.580 2.720 1
1 972 . 15 1 1 A 92 92 ARG H H 92 8.558 8.618 -0.060 1
1 973 . 15 1 1 A 92 92 ARG HA H 92 5.594 5.285 0.309 1
1 980 . 15 1 1 A 92 92 ARG C C 92 173.260 175.020 -1.760 1
1 981 . 15 1 1 A 92 92 ARG CA C 92 54.806 54.790 0.016 1
1 982 . 15 1 1 A 92 92 ARG CB C 92 34.464 33.459 1.005 1
1 985 . 15 1 1 A 92 92 ARG N N 92 119.774 122.244 -2.470 1
1 986 . 15 1 1 A 93 93 VAL H H 93 8.430 8.722 -0.292 1
1 987 . 15 1 1 A 93 93 VAL HA H 93 4.081 4.218 -0.137 1
1 995 . 15 1 1 A 93 93 VAL C C 93 171.210 173.701 -2.491 1
1 996 . 15 1 1 A 93 93 VAL CA C 93 58.915 59.839 -0.924 1
1 997 . 15 1 1 A 93 93 VAL CB C 93 33.683 33.608 0.075 1
1 1000 . 15 1 1 A 93 93 VAL N N 93 120.381 119.993 0.388 1
1 1001 . 15 1 1 A 94 94 THR H H 94 8.129 8.702 -0.573 1
1 1002 . 15 1 1 A 94 94 THR HA H 94 5.342 4.520 0.822 1
1 1007 . 15 1 1 A 94 94 THR C C 94 174.637 174.219 0.418 1
1 1008 . 15 1 1 A 94 94 THR CA C 94 60.799 62.483 -1.684 1
1 1009 . 15 1 1 A 94 94 THR CB C 94 70.768 68.885 1.883 1
1 1011 . 15 1 1 A 94 94 THR N N 94 124.645 125.342 -0.697 1
1 1012 . 15 1 1 A 95 95 THR H H 95 8.906 8.190 0.716 1
1 1013 . 15 1 1 A 95 95 THR HA H 95 4.115 4.153 -0.038 1
1 1018 . 15 1 1 A 95 95 THR C C 95 175.367 174.503 0.864 1
1 1019 . 15 1 1 A 95 95 THR CA C 95 60.909 62.611 -1.702 1
1 1020 . 15 1 1 A 95 95 THR CB C 95 70.346 69.428 0.918 1
1 1022 . 15 1 1 A 95 95 THR N N 95 116.835 120.729 -3.894 1
1 1023 . 15 1 1 A 96 96 LYS H H 96 7.372 8.465 -1.093 1
1 1024 . 15 1 1 A 96 96 LYS HA H 96 4.189 4.271 -0.082 1
1 1033 . 15 1 1 A 96 96 LYS C C 96 176.308 177.073 -0.765 1
1 1034 . 15 1 1 A 96 96 LYS CA C 96 55.207 56.717 -1.510 1
1 1035 . 15 1 1 A 96 96 LYS CB C 96 34.095 33.423 0.672 1
1 1039 . 15 1 1 A 96 96 LYS N N 96 116.829 124.044 -7.215 1
1 1040 . 15 1 1 A 97 97 LYS H H 97 8.113 8.586 -0.473 1
1 1041 . 15 1 1 A 97 97 LYS HA H 97 4.356 4.331 0.025 1
1 1050 . 15 1 1 A 97 97 LYS C C 97 176.106 176.702 -0.596 1
1 1051 . 15 1 1 A 97 97 LYS CA C 97 56.260 56.558 -0.298 1
1 1052 . 15 1 1 A 97 97 LYS CB C 97 33.140 32.986 0.154 1
1 1056 . 15 1 1 A 97 97 LYS N N 97 119.233 121.663 -2.430 1
1 1057 . 15 1 1 A 98 98 ALA H H 98 8.484 8.452 0.032 1
1 1058 . 15 1 1 A 98 98 ALA HA H 98 4.054 3.935 0.119 1
1 1062 . 15 1 1 A 98 98 ALA C C 98 175.754 175.528 0.226 1
1 1063 . 15 1 1 A 98 98 ALA CA C 98 50.511 50.240 0.271 1
1 1064 . 15 1 1 A 98 98 ALA CB C 98 17.093 18.274 -1.181 1
1 1065 . 15 1 1 A 98 98 ALA N N 98 126.424 126.385 0.039 1
1 1066 . 15 1 1 A 99 99 PRO HA H 99 4.313 4.410 -0.097 1
1 1073 . 15 1 1 A 99 99 PRO C C 99 176.506 176.884 -0.378 1
1 1074 . 15 1 1 A 99 99 PRO CA C 99 62.584 62.374 0.210 1
1 1075 . 15 1 1 A 99 99 PRO CB C 99 32.024 32.215 -0.191 1
1 1078 . 15 1 1 A 100 100 SER H H 100 8.377 8.392 -0.015 1
1 1079 . 15 1 1 A 100 100 SER HA H 100 4.688 4.373 0.315 1
1 1082 . 15 1 1 A 100 100 SER CA C 100 56.296 58.020 -1.724 1
1 1083 . 15 1 1 A 100 100 SER CB C 100 63.276 63.029 0.247 1
1 1084 . 15 1 1 A 100 100 SER N N 100 117.700 118.055 -0.355 1
1 1086 . 15 1 1 A 103 103 SER HA H 103 4.507 4.130 0.377 1
1 1089 . 15 1 1 A 103 103 SER CA C 103 58.198 61.059 -2.861 1
1 1090 . 15 1 1 A 103 103 SER CB C 103 63.882 63.644 0.238 1
1 1091 . 15 1 1 A 104 104 GLY H H 104 8.233 7.879 0.354 1
1 1092 . 15 1 1 A 104 104 GLY HA2 H 104 4.124 3.966 0.158 1
1 1093 . 15 1 1 A 104 104 GLY HA3 H 104 4.124 3.968 0.156 1
1 1094 . 15 1 1 A 104 104 GLY CA C 104 44.608 46.028 -1.420 1
1 1095 . 15 1 1 A 104 104 GLY N N 104 110.600 107.681 2.919 1
1 1096 . 15 1 1 A 105 105 PRO HA H 105 4.460 4.660 -0.200 1
1 1103 . 15 1 1 A 105 105 PRO CA C 105 63.264 62.769 0.495 1
1 1104 . 15 1 1 A 105 105 PRO CB C 105 32.094 31.798 0.296 1
1 1 . 16 1 1 A 6 6 SER HA H 6 4.470 4.938 -0.468 1
1 3 . 16 1 1 A 6 6 SER C C 6 175.031 174.056 0.975 1
1 4 . 16 1 1 A 6 6 SER CA C 6 58.687 57.605 1.082 1
1 5 . 16 1 1 A 6 6 SER CB C 6 63.635 65.760 -2.125 1
1 6 . 16 1 1 A 7 7 GLY H H 7 8.390 8.540 -0.150 1
1 7 . 16 1 1 A 7 7 GLY HA2 H 7 3.941 4.026 -0.085 1
1 8 . 16 1 1 A 7 7 GLY HA3 H 7 3.941 4.028 -0.087 1
1 9 . 16 1 1 A 7 7 GLY C C 7 173.892 175.427 -1.535 1
1 10 . 16 1 1 A 7 7 GLY CA C 7 45.348 45.751 -0.403 1
1 11 . 16 1 1 A 7 7 GLY N N 7 110.659 112.614 -1.955 1
1 12 . 16 1 1 A 8 8 LEU H H 8 8.017 8.639 -0.622 1
1 13 . 16 1 1 A 8 8 LEU HA H 8 4.347 4.649 -0.302 1
1 23 . 16 1 1 A 8 8 LEU C C 8 176.816 175.974 0.842 1
1 24 . 16 1 1 A 8 8 LEU CA C 8 54.760 53.864 0.896 1
1 25 . 16 1 1 A 8 8 LEU CB C 8 42.565 42.584 -0.019 1
1 29 . 16 1 1 A 8 8 LEU N N 8 121.546 119.180 2.366 1
1 30 . 16 1 1 A 9 9 ALA H H 9 8.291 7.680 0.611 1
1 31 . 16 1 1 A 9 9 ALA HA H 9 4.589 4.710 -0.121 1
1 35 . 16 1 1 A 9 9 ALA C C 9 174.928 174.889 0.039 1
1 36 . 16 1 1 A 9 9 ALA CA C 9 50.381 49.132 1.249 1
1 37 . 16 1 1 A 9 9 ALA CB C 9 18.293 21.663 -3.370 1
1 38 . 16 1 1 A 9 9 ALA N N 9 126.618 120.499 6.119 1
1 39 . 16 1 1 A 10 10 PRO HA H 10 4.708 4.631 0.077 1
1 45 . 16 1 1 A 10 10 PRO CA C 10 61.347 62.359 -1.012 1
1 46 . 16 1 1 A 10 10 PRO CB C 10 30.783 31.767 -0.984 1
1 49 . 16 1 1 A 11 11 PRO HA H 11 4.442 4.361 0.081 1
1 56 . 16 1 1 A 11 11 PRO C C 11 176.585 176.513 0.072 1
1 57 . 16 1 1 A 11 11 PRO CA C 11 63.016 65.248 -2.232 1
1 58 . 16 1 1 A 11 11 PRO CB C 11 32.096 32.185 -0.089 1
1 61 . 16 1 1 A 12 12 ARG H H 12 8.348 7.768 0.580 1
1 62 . 16 1 1 A 12 12 ARG HA H 12 4.405 4.935 -0.530 1
1 69 . 16 1 1 A 12 12 ARG C C 12 175.204 174.186 1.018 1
1 70 . 16 1 1 A 12 12 ARG CA C 12 55.797 54.341 1.456 1
1 71 . 16 1 1 A 12 12 ARG CB C 12 32.052 33.694 -1.642 1
1 74 . 16 1 1 A 12 12 ARG N N 12 120.519 117.894 2.625 1
1 75 . 16 1 1 A 13 13 HIS H H 13 8.296 8.940 -0.644 1
1 76 . 16 1 1 A 13 13 HIS HA H 13 4.815 5.278 -0.463 1
1 81 . 16 1 1 A 13 13 HIS C C 13 174.544 174.102 0.442 1
1 82 . 16 1 1 A 13 13 HIS CA C 13 55.783 54.358 1.425 1
1 83 . 16 1 1 A 13 13 HIS CB C 13 32.469 33.118 -0.649 1
1 86 . 16 1 1 A 13 13 HIS N N 13 118.569 121.155 -2.586 1
1 87 . 16 1 1 A 14 14 LEU H H 14 8.209 8.252 -0.043 1
1 88 . 16 1 1 A 14 14 LEU HA H 14 4.655 4.884 -0.229 1
1 98 . 16 1 1 A 14 14 LEU C C 14 175.977 175.991 -0.014 1
1 99 . 16 1 1 A 14 14 LEU CA C 14 53.935 53.190 0.745 1
1 100 . 16 1 1 A 14 14 LEU CB C 14 44.113 44.433 -0.320 1
1 104 . 16 1 1 A 14 14 LEU N N 14 120.625 124.431 -3.806 1
1 105 . 16 1 1 A 15 15 GLY H H 15 7.988 7.614 0.374 1
1 106 . 16 1 1 A 15 15 GLY HA2 H 15 4.008 3.568 0.440 1
1 107 . 16 1 1 A 15 15 GLY HA3 H 15 2.486 4.002 -1.516 1
1 108 . 16 1 1 A 15 15 GLY C C 15 170.056 170.931 -0.875 1
1 109 . 16 1 1 A 15 15 GLY CA C 15 43.188 44.109 -0.921 1
1 110 . 16 1 1 A 15 15 GLY N N 15 111.142 108.425 2.717 1
1 111 . 16 1 1 A 16 16 PHE H H 16 8.078 8.548 -0.470 1
1 112 . 16 1 1 A 16 16 PHE HA H 16 5.830 5.106 0.724 1
1 120 . 16 1 1 A 16 16 PHE C C 16 175.968 174.110 1.858 1
1 121 . 16 1 1 A 16 16 PHE CA C 16 56.048 56.042 0.006 1
1 122 . 16 1 1 A 16 16 PHE CB C 16 43.353 42.058 1.295 1
1 128 . 16 1 1 A 16 16 PHE N N 16 114.388 119.978 -5.590 1
1 129 . 16 1 1 A 17 17 SER H H 17 9.811 8.825 0.986 1
1 130 . 16 1 1 A 17 17 SER HA H 17 4.883 5.044 -0.161 1
1 133 . 16 1 1 A 17 17 SER C C 17 171.638 173.501 -1.863 1
1 134 . 16 1 1 A 17 17 SER CA C 17 57.073 56.243 0.830 1
1 135 . 16 1 1 A 17 17 SER CB C 17 66.893 66.808 0.085 1
1 136 . 16 1 1 A 17 17 SER N N 17 118.688 117.930 0.758 1
1 137 . 16 1 1 A 18 18 ASP H H 18 9.001 8.972 0.029 1
1 138 . 16 1 1 A 18 18 ASP HA H 18 4.171 4.246 -0.075 1
1 141 . 16 1 1 A 18 18 ASP C C 18 174.520 174.981 -0.461 1
1 142 . 16 1 1 A 18 18 ASP CA C 18 55.333 54.859 0.474 1
1 143 . 16 1 1 A 18 18 ASP CB C 18 40.075 39.630 0.445 1
1 144 . 16 1 1 A 18 18 ASP N N 18 116.878 124.559 -7.681 1
1 145 . 16 1 1 A 19 19 VAL H H 19 8.202 8.017 0.185 1
1 146 . 16 1 1 A 19 19 VAL HA H 19 4.169 4.121 0.048 1
1 154 . 16 1 1 A 19 19 VAL C C 19 176.641 175.699 0.942 1
1 155 . 16 1 1 A 19 19 VAL CA C 19 63.962 63.211 0.751 1
1 156 . 16 1 1 A 19 19 VAL CB C 19 31.236 31.729 -0.493 1
1 159 . 16 1 1 A 19 19 VAL N N 19 117.253 119.707 -2.454 1
1 160 . 16 1 1 A 20 20 SER H H 20 9.066 9.035 0.031 1
1 161 . 16 1 1 A 20 20 SER HA H 20 5.061 4.899 0.162 1
1 164 . 16 1 1 A 20 20 SER C C 20 174.081 175.221 -1.140 1
1 165 . 16 1 1 A 20 20 SER CA C 20 55.582 57.155 -1.573 1
1 166 . 16 1 1 A 20 20 SER CB C 20 65.090 66.359 -1.269 1
1 167 . 16 1 1 A 20 20 SER N N 20 126.686 121.383 5.303 1
1 168 . 16 1 1 A 21 21 HIS H H 21 8.635 8.799 -0.164 1
1 169 . 16 1 1 A 21 21 HIS HA H 21 4.895 4.788 0.107 1
1 174 . 16 1 1 A 21 21 HIS C C 21 175.242 175.421 -0.179 1
1 175 . 16 1 1 A 21 21 HIS CA C 21 56.934 57.612 -0.678 1
1 176 . 16 1 1 A 21 21 HIS CB C 21 30.651 29.473 1.178 1
1 179 . 16 1 1 A 21 21 HIS N N 21 117.241 120.980 -3.739 1
1 180 . 16 1 1 A 22 22 ASP H H 22 7.400 7.446 -0.046 1
1 181 . 16 1 1 A 22 22 ASP HA H 22 4.803 4.907 -0.104 1
1 184 . 16 1 1 A 22 22 ASP C C 22 176.754 174.561 2.193 1
1 185 . 16 1 1 A 22 22 ASP CA C 22 52.316 53.801 -1.485 1
1 186 . 16 1 1 A 22 22 ASP CB C 22 41.697 42.034 -0.337 1
1 187 . 16 1 1 A 22 22 ASP N N 22 115.766 118.224 -2.458 1
1 188 . 16 1 1 A 23 23 ALA H H 23 7.379 7.433 -0.054 1
1 189 . 16 1 1 A 23 23 ALA HA H 23 4.753 4.763 -0.010 1
1 193 . 16 1 1 A 23 23 ALA C C 23 174.757 175.175 -0.418 1
1 194 . 16 1 1 A 23 23 ALA CA C 23 51.613 51.557 0.056 1
1 195 . 16 1 1 A 23 23 ALA CB C 23 22.882 22.535 0.347 1
1 196 . 16 1 1 A 23 23 ALA N N 23 122.521 119.531 2.990 1
1 197 . 16 1 1 A 24 24 ALA H H 24 7.745 8.114 -0.369 1
1 198 . 16 1 1 A 24 24 ALA HA H 24 4.593 4.857 -0.264 1
1 202 . 16 1 1 A 24 24 ALA C C 24 173.662 175.098 -1.436 1
1 203 . 16 1 1 A 24 24 ALA CA C 24 52.233 51.891 0.342 1
1 204 . 16 1 1 A 24 24 ALA CB C 24 22.894 22.551 0.343 1
1 205 . 16 1 1 A 24 24 ALA N N 24 115.485 120.304 -4.819 1
1 206 . 16 1 1 A 25 25 ARG H H 25 8.690 8.760 -0.070 1
1 207 . 16 1 1 A 25 25 ARG HA H 25 5.209 4.863 0.346 1
1 214 . 16 1 1 A 25 25 ARG C C 25 174.777 174.769 0.008 1
1 215 . 16 1 1 A 25 25 ARG CA C 25 55.161 55.168 -0.007 1
1 216 . 16 1 1 A 25 25 ARG CB C 25 32.329 31.745 0.584 1
1 219 . 16 1 1 A 25 25 ARG N N 25 122.853 123.811 -0.958 1
1 220 . 16 1 1 A 26 26 VAL H H 26 8.865 9.106 -0.241 1
1 221 . 16 1 1 A 26 26 VAL HA H 26 5.120 4.688 0.432 1
1 229 . 16 1 1 A 26 26 VAL C C 26 172.428 174.978 -2.550 1
1 230 . 16 1 1 A 26 26 VAL CA C 26 57.420 59.988 -2.568 1
1 231 . 16 1 1 A 26 26 VAL CB C 26 34.734 34.203 0.531 1
1 234 . 16 1 1 A 26 26 VAL N N 26 125.534 127.252 -1.718 1
1 235 . 16 1 1 A 27 27 PHE H H 27 8.520 8.246 0.274 1
1 236 . 16 1 1 A 27 27 PHE HA H 27 5.039 4.869 0.170 1
1 244 . 16 1 1 A 27 27 PHE C C 27 172.979 172.576 0.403 1
1 245 . 16 1 1 A 27 27 PHE CA C 27 56.293 54.950 1.343 1
1 246 . 16 1 1 A 27 27 PHE CB C 27 42.190 41.714 0.476 1
1 252 . 16 1 1 A 27 27 PHE N N 27 123.552 123.069 0.483 1
1 253 . 16 1 1 A 28 28 TRP H H 28 7.813 8.042 -0.229 1
1 254 . 16 1 1 A 28 28 TRP HA H 28 5.058 5.500 -0.442 1
1 263 . 16 1 1 A 28 28 TRP C C 28 174.131 176.726 -2.595 1
1 264 . 16 1 1 A 28 28 TRP CA C 28 55.730 54.777 0.953 1
1 265 . 16 1 1 A 28 28 TRP CB C 28 30.997 32.643 -1.646 1
1 271 . 16 1 1 A 28 28 TRP N N 28 116.968 117.888 -0.920 1
1 273 . 16 1 1 A 29 29 GLU H H 29 8.362 8.591 -0.229 1
1 274 . 16 1 1 A 29 29 GLU HA H 29 4.356 4.539 -0.183 1
1 279 . 16 1 1 A 29 29 GLU C C 29 177.125 176.659 0.466 1
1 280 . 16 1 1 A 29 29 GLU CA C 29 55.820 55.805 0.015 1
1 281 . 16 1 1 A 29 29 GLU CB C 29 31.085 28.999 2.086 1
1 283 . 16 1 1 A 29 29 GLU N N 29 119.239 118.190 1.049 1
1 284 . 16 1 1 A 30 30 GLY H H 30 8.729 8.277 0.452 1
1 285 . 16 1 1 A 30 30 GLY HA2 H 30 4.051 4.213 -0.162 1
1 286 . 16 1 1 A 30 30 GLY HA3 H 30 3.781 4.421 -0.640 1
1 287 . 16 1 1 A 30 30 GLY C C 30 173.621 173.411 0.210 1
1 288 . 16 1 1 A 30 30 GLY CA C 30 45.559 44.858 0.701 1
1 289 . 16 1 1 A 30 30 GLY N N 30 110.979 110.061 0.918 1
1 290 . 16 1 1 A 31 31 ALA H H 31 8.747 8.521 0.226 1
1 291 . 16 1 1 A 31 31 ALA HA H 31 4.577 4.705 -0.128 1
1 295 . 16 1 1 A 31 31 ALA C C 31 177.064 177.791 -0.727 1
1 296 . 16 1 1 A 31 31 ALA CA C 31 50.416 50.822 -0.406 1
1 297 . 16 1 1 A 31 31 ALA CB C 31 19.221 18.680 0.541 1
1 298 . 16 1 1 A 31 31 ALA N N 31 126.357 125.096 1.261 1
1 299 . 16 1 1 A 32 32 PRO HA H 32 4.630 4.477 0.153 1
1 306 . 16 1 1 A 32 32 PRO C C 32 175.001 175.299 -0.298 1
1 307 . 16 1 1 A 32 32 PRO CA C 32 63.368 63.955 -0.587 1
1 308 . 16 1 1 A 32 32 PRO CB C 32 30.738 31.326 -0.588 1
1 311 . 16 1 1 A 33 33 ARG H H 33 7.418 7.503 -0.085 1
1 312 . 16 1 1 A 33 33 ARG HA H 33 4.746 4.703 0.043 1
1 319 . 16 1 1 A 33 33 ARG C C 33 172.695 173.275 -0.580 1
1 320 . 16 1 1 A 33 33 ARG CA C 33 53.205 54.053 -0.848 1
1 321 . 16 1 1 A 33 33 ARG CB C 33 30.414 32.434 -2.020 1
1 324 . 16 1 1 A 33 33 ARG N N 33 117.994 113.820 4.174 1
1 325 . 16 1 1 A 34 34 PRO HA H 34 4.273 4.792 -0.519 1
1 332 . 16 1 1 A 34 34 PRO C C 34 175.342 175.414 -0.072 1
1 333 . 16 1 1 A 34 34 PRO CA C 34 64.037 62.641 1.396 1
1 334 . 16 1 1 A 34 34 PRO CB C 34 32.581 32.429 0.152 1
1 337 . 16 1 1 A 35 35 VAL H H 35 8.264 8.571 -0.307 1
1 338 . 16 1 1 A 35 35 VAL HA H 35 4.237 4.876 -0.639 1
1 346 . 16 1 1 A 35 35 VAL C C 35 175.771 176.583 -0.812 1
1 347 . 16 1 1 A 35 35 VAL CA C 35 61.890 59.682 2.208 1
1 348 . 16 1 1 A 35 35 VAL CB C 35 35.092 35.099 -0.007 1
1 351 . 16 1 1 A 35 35 VAL N N 35 122.377 122.016 0.361 1
1 352 . 16 1 1 A 36 36 ARG H H 36 9.278 8.738 0.540 1
1 353 . 16 1 1 A 36 36 ARG HA H 36 4.426 4.407 0.019 1
1 360 . 16 1 1 A 36 36 ARG C C 36 175.620 175.864 -0.244 1
1 361 . 16 1 1 A 36 36 ARG CA C 36 57.672 57.364 0.308 1
1 362 . 16 1 1 A 36 36 ARG CB C 36 31.595 31.157 0.438 1
1 365 . 16 1 1 A 36 36 ARG N N 36 125.821 124.189 1.632 1
1 366 . 16 1 1 A 37 37 LEU H H 37 7.525 7.291 0.234 1
1 367 . 16 1 1 A 37 37 LEU HA H 37 4.403 4.905 -0.502 1
1 377 . 16 1 1 A 37 37 LEU C C 37 172.405 174.266 -1.861 1
1 378 . 16 1 1 A 37 37 LEU CA C 37 54.913 54.023 0.890 1
1 379 . 16 1 1 A 37 37 LEU CB C 37 46.166 46.357 -0.191 1
1 383 . 16 1 1 A 37 37 LEU N N 37 119.761 119.345 0.416 1
1 384 . 16 1 1 A 38 38 VAL H H 38 8.513 8.802 -0.289 1
1 385 . 16 1 1 A 38 38 VAL HA H 38 4.790 4.936 -0.146 1
1 393 . 16 1 1 A 38 38 VAL C C 38 174.595 174.255 0.340 1
1 394 . 16 1 1 A 38 38 VAL CA C 38 60.992 61.451 -0.459 1
1 395 . 16 1 1 A 38 38 VAL CB C 38 33.979 34.273 -0.294 1
1 398 . 16 1 1 A 38 38 VAL N N 38 123.604 125.446 -1.842 1
1 399 . 16 1 1 A 39 39 ARG H H 39 9.025 8.902 0.123 1
1 400 . 16 1 1 A 39 39 ARG HA H 39 4.839 4.863 -0.024 1
1 407 . 16 1 1 A 39 39 ARG C C 39 174.581 175.169 -0.588 1
1 408 . 16 1 1 A 39 39 ARG CA C 39 55.150 55.166 -0.016 1
1 409 . 16 1 1 A 39 39 ARG CB C 39 32.919 31.396 1.523 1
1 412 . 16 1 1 A 39 39 ARG N N 39 126.442 129.387 -2.945 1
1 413 . 16 1 1 A 40 40 VAL H H 40 9.059 9.275 -0.216 1
1 414 . 16 1 1 A 40 40 VAL HA H 40 5.177 5.185 -0.008 1
1 422 . 16 1 1 A 40 40 VAL C C 40 175.508 175.626 -0.118 1
1 423 . 16 1 1 A 40 40 VAL CA C 40 60.513 61.251 -0.738 1
1 424 . 16 1 1 A 40 40 VAL CB C 40 33.390 33.797 -0.407 1
1 427 . 16 1 1 A 40 40 VAL N N 40 127.219 127.406 -0.187 1
1 428 . 16 1 1 A 41 41 THR H H 41 9.244 9.236 0.008 1
1 429 . 16 1 1 A 41 41 THR HA H 41 5.056 5.253 -0.197 1
1 434 . 16 1 1 A 41 41 THR C C 41 173.323 173.301 0.022 1
1 435 . 16 1 1 A 41 41 THR CA C 41 59.618 60.355 -0.737 1
1 436 . 16 1 1 A 41 41 THR CB C 41 71.668 71.527 0.141 1
1 438 . 16 1 1 A 41 41 THR N N 41 117.579 117.848 -0.269 1
1 439 . 16 1 1 A 42 42 TYR H H 42 7.955 8.081 -0.126 1
1 440 . 16 1 1 A 42 42 TYR HA H 42 5.825 6.031 -0.206 1
1 447 . 16 1 1 A 42 42 TYR C C 42 173.794 173.389 0.405 1
1 448 . 16 1 1 A 42 42 TYR CA C 42 54.314 55.137 -0.823 1
1 449 . 16 1 1 A 42 42 TYR CB C 42 39.788 42.394 -2.606 1
1 454 . 16 1 1 A 42 42 TYR N N 42 117.304 119.162 -1.858 1
1 455 . 16 1 1 A 43 43 VAL H H 43 8.547 8.523 0.024 1
1 456 . 16 1 1 A 43 43 VAL HA H 43 5.069 4.661 0.408 1
1 464 . 16 1 1 A 43 43 VAL C C 43 174.912 172.728 2.184 1
1 465 . 16 1 1 A 43 43 VAL CA C 43 60.142 60.484 -0.342 1
1 466 . 16 1 1 A 43 43 VAL CB C 43 35.329 35.602 -0.273 1
1 469 . 16 1 1 A 43 43 VAL N N 43 119.038 121.422 -2.384 1
1 470 . 16 1 1 A 44 44 SER H H 44 9.123 8.085 1.038 1
1 471 . 16 1 1 A 44 44 SER HA H 44 4.307 3.392 0.915 1
1 474 . 16 1 1 A 44 44 SER C C 44 176.777 175.306 1.471 1
1 475 . 16 1 1 A 44 44 SER CA C 44 57.838 58.114 -0.276 1
1 476 . 16 1 1 A 44 44 SER CB C 44 64.064 63.390 0.674 1
1 477 . 16 1 1 A 44 44 SER N N 44 124.942 121.664 3.278 1
1 478 . 16 1 1 A 45 45 SER H H 45 8.562 8.756 -0.194 1
1 479 . 16 1 1 A 45 45 SER HA H 45 4.175 4.032 0.143 1
1 482 . 16 1 1 A 45 45 SER C C 45 175.366 174.545 0.821 1
1 483 . 16 1 1 A 45 45 SER CA C 45 61.239 61.943 -0.704 1
1 484 . 16 1 1 A 45 45 SER CB C 45 62.976 62.839 0.137 1
1 485 . 16 1 1 A 45 45 SER N N 45 119.157 119.442 -0.285 1
1 486 . 16 1 1 A 46 46 GLU H H 46 8.321 7.537 0.784 1
1 487 . 16 1 1 A 46 46 GLU HA H 46 4.442 4.737 -0.295 1
1 492 . 16 1 1 A 46 46 GLU C C 46 177.463 176.140 1.323 1
1 493 . 16 1 1 A 46 46 GLU CA C 46 56.409 54.979 1.430 1
1 494 . 16 1 1 A 46 46 GLU CB C 46 29.633 32.616 -2.983 1
1 496 . 16 1 1 A 46 46 GLU N N 46 119.112 117.902 1.210 1
1 497 . 16 1 1 A 47 47 GLY H H 47 8.129 8.563 -0.434 1
1 498 . 16 1 1 A 47 47 GLY HA2 H 47 4.150 3.971 0.179 1
1 499 . 16 1 1 A 47 47 GLY HA3 H 47 3.646 3.985 -0.339 1
1 500 . 16 1 1 A 47 47 GLY C C 47 175.047 174.501 0.546 1
1 501 . 16 1 1 A 47 47 GLY CA C 47 45.400 46.473 -1.073 1
1 502 . 16 1 1 A 47 47 GLY N N 47 109.344 107.463 1.881 1
1 503 . 16 1 1 A 48 48 GLY H H 48 7.927 8.404 -0.477 1
1 504 . 16 1 1 A 48 48 GLY HA2 H 48 3.982 4.222 -0.240 1
1 505 . 16 1 1 A 48 48 GLY HA3 H 48 3.855 4.228 -0.373 1
1 506 . 16 1 1 A 48 48 GLY C C 48 173.614 172.364 1.250 1
1 507 . 16 1 1 A 48 48 GLY CA C 48 46.073 46.450 -0.377 1
1 508 . 16 1 1 A 48 48 GLY N N 48 107.840 111.093 -3.253 1
1 509 . 16 1 1 A 49 49 HIS H H 49 7.985 8.367 -0.382 1
1 510 . 16 1 1 A 49 49 HIS HA H 49 4.951 5.024 -0.073 1
1 515 . 16 1 1 A 49 49 HIS C C 49 173.760 173.825 -0.065 1
1 516 . 16 1 1 A 49 49 HIS CA C 49 56.608 55.009 1.599 1
1 517 . 16 1 1 A 49 49 HIS CB C 49 33.119 30.618 2.501 1
1 520 . 16 1 1 A 49 49 HIS N N 49 120.577 123.446 -2.869 1
1 521 . 16 1 1 A 50 50 SER H H 50 8.118 8.662 -0.544 1
1 522 . 16 1 1 A 50 50 SER HA H 50 5.184 4.964 0.220 1
1 525 . 16 1 1 A 50 50 SER C C 50 172.582 173.023 -0.441 1
1 526 . 16 1 1 A 50 50 SER CA C 50 56.463 56.245 0.218 1
1 527 . 16 1 1 A 50 50 SER CB C 50 66.423 66.222 0.201 1
1 528 . 16 1 1 A 50 50 SER N N 50 120.879 119.781 1.098 1
1 529 . 16 1 1 A 51 51 GLY H H 51 7.900 7.859 0.041 1
1 530 . 16 1 1 A 51 51 GLY HA2 H 51 4.027 3.595 0.432 1
1 531 . 16 1 1 A 51 51 GLY HA3 H 51 3.236 4.134 -0.898 1
1 532 . 16 1 1 A 51 51 GLY C C 51 171.073 172.152 -1.079 1
1 533 . 16 1 1 A 51 51 GLY CA C 51 44.696 44.213 0.483 1
1 534 . 16 1 1 A 51 51 GLY N N 51 108.215 107.850 0.365 1
1 535 . 16 1 1 A 52 52 GLN H H 52 8.256 8.509 -0.253 1
1 536 . 16 1 1 A 52 52 GLN HA H 52 5.308 5.272 0.036 1
1 543 . 16 1 1 A 52 52 GLN C C 52 174.217 173.530 0.687 1
1 544 . 16 1 1 A 52 52 GLN CA C 52 54.516 55.879 -1.363 1
1 545 . 16 1 1 A 52 52 GLN CB C 52 32.541 31.931 0.610 1
1 547 . 16 1 1 A 52 52 GLN N N 52 115.667 119.403 -3.736 1
1 549 . 16 1 1 A 53 53 THR H H 53 9.298 9.245 0.053 1
1 550 . 16 1 1 A 53 53 THR HA H 53 4.753 5.250 -0.497 1
1 555 . 16 1 1 A 53 53 THR C C 53 171.720 172.679 -0.959 1
1 556 . 16 1 1 A 53 53 THR CA C 53 60.869 60.013 0.856 1
1 557 . 16 1 1 A 53 53 THR CB C 53 70.580 71.359 -0.779 1
1 559 . 16 1 1 A 53 53 THR N N 53 117.486 121.221 -3.735 1
1 560 . 16 1 1 A 54 54 GLU H H 54 8.404 8.717 -0.313 1
1 561 . 16 1 1 A 54 54 GLU HA H 54 5.378 5.192 0.186 1
1 566 . 16 1 1 A 54 54 GLU C C 54 174.705 175.848 -1.143 1
1 567 . 16 1 1 A 54 54 GLU CA C 54 54.693 55.139 -0.446 1
1 568 . 16 1 1 A 54 54 GLU CB C 54 33.434 32.290 1.144 1
1 570 . 16 1 1 A 54 54 GLU N N 54 123.651 126.838 -3.187 1
1 571 . 16 1 1 A 55 55 ALA H H 55 9.471 8.680 0.791 1
1 572 . 16 1 1 A 55 55 ALA HA H 55 5.056 4.920 0.136 1
1 576 . 16 1 1 A 55 55 ALA C C 55 172.938 174.033 -1.095 1
1 577 . 16 1 1 A 55 55 ALA CA C 55 49.216 49.990 -0.774 1
1 578 . 16 1 1 A 55 55 ALA CB C 55 20.410 22.063 -1.653 1
1 579 . 16 1 1 A 55 55 ALA N N 55 126.815 123.236 3.579 1
1 580 . 16 1 1 A 56 56 PRO HA H 56 4.630 4.709 -0.079 1
1 587 . 16 1 1 A 56 56 PRO C C 56 176.935 178.346 -1.411 1
1 588 . 16 1 1 A 56 56 PRO CA C 56 62.303 63.005 -0.702 1
1 589 . 16 1 1 A 56 56 PRO CB C 56 32.745 32.539 0.206 1
1 592 . 16 1 1 A 57 57 GLY H H 57 8.240 8.413 -0.173 1
1 593 . 16 1 1 A 57 57 GLY HA2 H 57 3.839 3.894 -0.055 1
1 594 . 16 1 1 A 57 57 GLY HA3 H 57 3.547 3.905 -0.358 1
1 595 . 16 1 1 A 57 57 GLY C C 57 173.839 175.378 -1.539 1
1 596 . 16 1 1 A 57 57 GLY CA C 57 47.092 46.910 0.182 1
1 597 . 16 1 1 A 57 57 GLY N N 57 104.338 111.571 -7.233 1
1 598 . 16 1 1 A 58 58 ASN H H 58 7.935 7.962 -0.027 1
1 599 . 16 1 1 A 58 58 ASN HA H 58 4.778 4.676 0.102 1
1 604 . 16 1 1 A 58 58 ASN C C 58 175.578 176.546 -0.968 1
1 605 . 16 1 1 A 58 58 ASN CA C 58 52.176 55.479 -3.303 1
1 606 . 16 1 1 A 58 58 ASN CB C 58 37.384 38.930 -1.546 1
1 607 . 16 1 1 A 58 58 ASN N N 58 114.653 119.306 -4.653 1
1 609 . 16 1 1 A 59 59 ALA H H 59 8.041 7.686 0.355 1
1 610 . 16 1 1 A 59 59 ALA HA H 59 4.360 4.134 0.226 1
1 614 . 16 1 1 A 59 59 ALA C C 59 177.738 177.905 -0.167 1
1 615 . 16 1 1 A 59 59 ALA CA C 59 52.792 52.920 -0.128 1
1 616 . 16 1 1 A 59 59 ALA CB C 59 20.834 19.138 1.696 1
1 617 . 16 1 1 A 59 59 ALA N N 59 124.183 121.988 2.195 1
1 618 . 16 1 1 A 60 60 THR H H 60 8.274 8.722 -0.448 1
1 619 . 16 1 1 A 60 60 THR HA H 60 3.299 4.062 -0.763 1
1 624 . 16 1 1 A 60 60 THR C C 60 171.681 172.800 -1.119 1
1 625 . 16 1 1 A 60 60 THR CA C 60 59.732 60.343 -0.611 1
1 626 . 16 1 1 A 60 60 THR CB C 60 69.010 68.442 0.568 1
1 628 . 16 1 1 A 60 60 THR N N 60 108.095 113.509 -5.414 1
1 629 . 16 1 1 A 61 61 SER H H 61 6.728 7.310 -0.582 1
1 630 . 16 1 1 A 61 61 SER HA H 61 4.584 4.313 0.271 1
1 633 . 16 1 1 A 61 61 SER C C 61 172.948 172.486 0.462 1
1 634 . 16 1 1 A 61 61 SER CA C 61 57.403 57.240 0.163 1
1 635 . 16 1 1 A 61 61 SER CB C 61 65.767 65.235 0.532 1
1 636 . 16 1 1 A 61 61 SER N N 61 110.991 113.141 -2.150 1
1 637 . 16 1 1 A 62 62 ALA H H 62 8.954 8.507 0.447 1
1 638 . 16 1 1 A 62 62 ALA HA H 62 4.581 5.104 -0.523 1
1 642 . 16 1 1 A 62 62 ALA C C 62 174.741 176.190 -1.449 1
1 643 . 16 1 1 A 62 62 ALA CA C 62 51.949 51.221 0.728 1
1 644 . 16 1 1 A 62 62 ALA CB C 62 21.659 23.374 -1.715 1
1 645 . 16 1 1 A 62 62 ALA N N 62 119.306 122.269 -2.963 1
1 646 . 16 1 1 A 63 63 MET H H 63 8.599 8.470 0.129 1
1 647 . 16 1 1 A 63 63 MET HA H 63 4.993 5.065 -0.072 1
1 655 . 16 1 1 A 63 63 MET C C 63 175.386 175.140 0.246 1
1 656 . 16 1 1 A 63 63 MET CA C 63 53.760 54.339 -0.579 1
1 657 . 16 1 1 A 63 63 MET CB C 63 31.842 34.874 -3.032 1
1 660 . 16 1 1 A 63 63 MET N N 63 120.537 119.626 0.911 1
1 661 . 16 1 1 A 64 64 LEU H H 64 9.244 8.240 1.004 1
1 662 . 16 1 1 A 64 64 LEU HA H 64 4.494 4.930 -0.436 1
1 672 . 16 1 1 A 64 64 LEU C C 64 175.976 175.626 0.350 1
1 673 . 16 1 1 A 64 64 LEU CA C 64 52.988 53.068 -0.080 1
1 674 . 16 1 1 A 64 64 LEU CB C 64 42.785 45.802 -3.017 1
1 678 . 16 1 1 A 64 64 LEU N N 64 124.823 121.087 3.736 1
1 679 . 16 1 1 A 65 65 GLY H H 65 7.516 8.091 -0.575 1
1 680 . 16 1 1 A 65 65 GLY HA2 H 65 4.505 4.043 0.462 1
1 681 . 16 1 1 A 65 65 GLY HA3 H 65 3.237 4.050 -0.813 1
1 682 . 16 1 1 A 65 65 GLY C C 65 170.608 171.923 -1.315 1
1 683 . 16 1 1 A 65 65 GLY CA C 65 44.505 44.723 -0.218 1
1 684 . 16 1 1 A 65 65 GLY N N 65 106.855 109.102 -2.247 1
1 685 . 16 1 1 A 66 66 PRO HA H 66 4.626 4.760 -0.134 1
1 692 . 16 1 1 A 66 66 PRO C C 66 176.262 176.681 -0.419 1
1 693 . 16 1 1 A 66 66 PRO CA C 66 62.542 62.875 -0.333 1
1 694 . 16 1 1 A 66 66 PRO CB C 66 34.107 31.973 2.134 1
1 697 . 16 1 1 A 67 67 LEU H H 67 8.487 8.573 -0.086 1
1 698 . 16 1 1 A 67 67 LEU HA H 67 4.586 4.720 -0.134 1
1 708 . 16 1 1 A 67 67 LEU C C 67 176.158 176.251 -0.093 1
1 709 . 16 1 1 A 67 67 LEU CA C 67 52.335 53.347 -1.012 1
1 710 . 16 1 1 A 67 67 LEU CB C 67 43.440 42.497 0.943 1
1 714 . 16 1 1 A 67 67 LEU N N 67 124.582 123.469 1.113 1
1 715 . 16 1 1 A 68 68 SER H H 68 8.958 8.628 0.330 1
1 716 . 16 1 1 A 68 68 SER HA H 68 4.529 4.937 -0.408 1
1 719 . 16 1 1 A 68 68 SER C C 68 174.360 174.183 0.177 1
1 720 . 16 1 1 A 68 68 SER CA C 68 58.649 57.360 1.289 1
1 721 . 16 1 1 A 68 68 SER CB C 68 64.239 65.421 -1.182 1
1 722 . 16 1 1 A 68 68 SER N N 68 117.670 117.462 0.208 1
1 723 . 16 1 1 A 69 69 SER H H 69 8.511 8.763 -0.252 1
1 724 . 16 1 1 A 69 69 SER HA H 69 5.085 5.325 -0.240 1
1 727 . 16 1 1 A 69 69 SER C C 69 175.660 174.108 1.552 1
1 728 . 16 1 1 A 69 69 SER CA C 69 59.071 56.479 2.592 1
1 729 . 16 1 1 A 69 69 SER CB C 69 64.439 65.618 -1.179 1
1 730 . 16 1 1 A 69 69 SER N N 69 119.760 114.756 5.004 1
1 731 . 16 1 1 A 70 70 SER H H 70 7.974 8.897 -0.923 1
1 732 . 16 1 1 A 70 70 SER HA H 70 3.799 4.107 -0.308 1
1 735 . 16 1 1 A 70 70 SER C C 70 173.645 173.018 0.627 1
1 736 . 16 1 1 A 70 70 SER CA C 70 58.453 59.205 -0.752 1
1 737 . 16 1 1 A 70 70 SER CB C 70 62.477 61.960 0.517 1
1 738 . 16 1 1 A 70 70 SER N N 70 121.170 116.228 4.942 1
1 739 . 16 1 1 A 71 71 THR H H 71 8.325 7.788 0.537 1
1 740 . 16 1 1 A 71 71 THR HA H 71 4.482 4.725 -0.243 1
1 745 . 16 1 1 A 71 71 THR C C 71 171.950 173.530 -1.580 1
1 746 . 16 1 1 A 71 71 THR CA C 71 62.453 61.686 0.767 1
1 747 . 16 1 1 A 71 71 THR CB C 71 72.120 71.354 0.766 1
1 749 . 16 1 1 A 71 71 THR N N 71 115.265 114.801 0.464 1
1 750 . 16 1 1 A 72 72 THR H H 72 8.963 8.766 0.197 1
1 751 . 16 1 1 A 72 72 THR HA H 72 5.044 4.615 0.429 1
1 756 . 16 1 1 A 72 72 THR C C 72 173.198 173.985 -0.787 1
1 757 . 16 1 1 A 72 72 THR CA C 72 62.216 63.084 -0.868 1
1 758 . 16 1 1 A 72 72 THR CB C 72 69.392 69.395 -0.003 1
1 760 . 16 1 1 A 72 72 THR N N 72 124.221 121.761 2.460 1
1 761 . 16 1 1 A 73 73 TYR H H 73 9.711 9.050 0.661 1
1 762 . 16 1 1 A 73 73 TYR HA H 73 4.852 5.349 -0.497 1
1 767 . 16 1 1 A 73 73 TYR C C 73 175.854 175.018 0.836 1
1 768 . 16 1 1 A 73 73 TYR CA C 73 57.596 56.583 1.013 1
1 769 . 16 1 1 A 73 73 TYR CB C 73 41.377 41.262 0.115 1
1 774 . 16 1 1 A 73 73 TYR N N 73 126.553 125.817 0.736 1
1 775 . 16 1 1 A 74 74 THR H H 74 8.981 9.256 -0.275 1
1 776 . 16 1 1 A 74 74 THR HA H 74 4.648 4.878 -0.230 1
1 781 . 16 1 1 A 74 74 THR C C 74 174.296 174.268 0.028 1
1 782 . 16 1 1 A 74 74 THR CA C 74 63.156 62.651 0.505 1
1 783 . 16 1 1 A 74 74 THR CB C 74 68.916 68.677 0.239 1
1 785 . 16 1 1 A 74 74 THR N N 74 118.190 119.425 -1.235 1
1 786 . 16 1 1 A 75 75 VAL H H 75 9.376 8.916 0.460 1
1 787 . 16 1 1 A 75 75 VAL HA H 75 4.951 4.419 0.532 1
1 795 . 16 1 1 A 75 75 VAL C C 75 173.554 175.054 -1.500 1
1 796 . 16 1 1 A 75 75 VAL CA C 75 61.004 62.197 -1.193 1
1 797 . 16 1 1 A 75 75 VAL CB C 75 34.541 32.756 1.785 1
1 800 . 16 1 1 A 75 75 VAL N N 75 130.973 128.465 2.508 1
1 801 . 16 1 1 A 76 76 ARG H H 76 9.023 9.333 -0.310 1
1 802 . 16 1 1 A 76 76 ARG HA H 76 5.218 5.333 -0.115 1
1 809 . 16 1 1 A 76 76 ARG C C 76 175.034 174.274 0.760 1
1 810 . 16 1 1 A 76 76 ARG CA C 76 54.501 54.716 -0.215 1
1 811 . 16 1 1 A 76 76 ARG CB C 76 32.621 33.543 -0.922 1
1 814 . 16 1 1 A 76 76 ARG N N 76 126.030 127.873 -1.843 1
1 815 . 16 1 1 A 77 77 VAL H H 77 9.155 9.038 0.117 1
1 816 . 16 1 1 A 77 77 VAL HA H 77 4.165 4.459 -0.294 1
1 824 . 16 1 1 A 77 77 VAL C C 77 174.967 175.048 -0.081 1
1 825 . 16 1 1 A 77 77 VAL CA C 77 61.626 61.677 -0.051 1
1 826 . 16 1 1 A 77 77 VAL CB C 77 33.367 31.876 1.491 1
1 829 . 16 1 1 A 77 77 VAL N N 77 125.903 127.098 -1.195 1
1 830 . 16 1 1 A 78 78 THR H H 78 9.313 9.266 0.047 1
1 831 . 16 1 1 A 78 78 THR HA H 78 5.121 4.718 0.403 1
1 836 . 16 1 1 A 78 78 THR C C 78 173.388 173.250 0.138 1
1 837 . 16 1 1 A 78 78 THR CA C 78 61.286 61.853 -0.567 1
1 838 . 16 1 1 A 78 78 THR CB C 78 70.432 69.765 0.667 1
1 840 . 16 1 1 A 78 78 THR N N 78 126.547 123.475 3.072 1
1 841 . 16 1 1 A 79 79 CYS H H 79 8.807 8.484 0.323 1
1 842 . 16 1 1 A 79 79 CYS HA H 79 4.410 4.834 -0.424 1
1 845 . 16 1 1 A 79 79 CYS C C 79 172.501 172.779 -0.278 1
1 846 . 16 1 1 A 79 79 CYS CA C 79 58.141 57.438 0.703 1
1 847 . 16 1 1 A 79 79 CYS CB C 79 28.102 28.211 -0.109 1
1 848 . 16 1 1 A 79 79 CYS N N 79 125.160 125.863 -0.703 1
1 849 . 16 1 1 A 80 80 LEU H H 80 8.417 8.054 0.363 1
1 850 . 16 1 1 A 80 80 LEU HA H 80 4.377 4.511 -0.134 1
1 860 . 16 1 1 A 80 80 LEU C C 80 175.846 175.644 0.202 1
1 861 . 16 1 1 A 80 80 LEU CA C 80 54.400 53.853 0.547 1
1 862 . 16 1 1 A 80 80 LEU CB C 80 41.520 41.251 0.269 1
1 866 . 16 1 1 A 80 80 LEU N N 80 123.584 126.979 -3.395 1
1 867 . 16 1 1 A 81 81 TYR H H 81 8.090 7.849 0.241 1
1 868 . 16 1 1 A 81 81 TYR HA H 81 5.085 4.579 0.506 1
1 875 . 16 1 1 A 81 81 TYR C C 81 175.341 176.218 -0.877 1
1 876 . 16 1 1 A 81 81 TYR CA C 81 55.561 57.684 -2.123 1
1 877 . 16 1 1 A 81 81 TYR CB C 81 36.792 38.395 -1.603 1
1 882 . 16 1 1 A 81 81 TYR N N 81 123.717 125.782 -2.065 1
1 883 . 16 1 1 A 82 82 PRO HA H 82 4.358 4.514 -0.156 1
1 890 . 16 1 1 A 82 82 PRO CA C 82 64.469 64.450 0.019 1
1 891 . 16 1 1 A 82 82 PRO CB C 82 31.395 32.196 -0.801 1
1 894 . 16 1 1 A 83 83 GLY HA2 H 83 4.164 4.121 0.043 1
1 895 . 16 1 1 A 83 83 GLY HA3 H 83 3.880 4.131 -0.251 1
1 896 . 16 1 1 A 83 83 GLY C C 83 174.832 173.558 1.274 1
1 897 . 16 1 1 A 83 83 GLY CA C 83 45.437 45.584 -0.147 1
1 898 . 16 1 1 A 84 84 GLY H H 84 7.641 8.026 -0.385 1
1 899 . 16 1 1 A 84 84 GLY HA2 H 84 4.581 4.009 0.572 1
1 900 . 16 1 1 A 84 84 GLY HA3 H 84 3.788 4.047 -0.259 1
1 901 . 16 1 1 A 84 84 GLY C C 84 174.354 174.869 -0.515 1
1 902 . 16 1 1 A 84 84 GLY CA C 84 44.801 45.490 -0.689 1
1 903 . 16 1 1 A 84 84 GLY N N 84 107.816 108.406 -0.590 1
1 904 . 16 1 1 A 85 85 GLY H H 85 8.303 8.484 -0.181 1
1 905 . 16 1 1 A 85 85 GLY HA2 H 85 4.322 4.028 0.294 1
1 906 . 16 1 1 A 85 85 GLY HA3 H 85 4.113 4.060 0.053 1
1 907 . 16 1 1 A 85 85 GLY C C 85 172.757 173.265 -0.508 1
1 908 . 16 1 1 A 85 85 GLY CA C 85 44.602 46.032 -1.430 1
1 909 . 16 1 1 A 85 85 GLY N N 85 108.998 108.340 0.658 1
1 910 . 16 1 1 A 86 86 SER H H 86 8.361 8.344 0.017 1
1 911 . 16 1 1 A 86 86 SER HA H 86 5.024 5.104 -0.080 1
1 914 . 16 1 1 A 86 86 SER C C 86 173.484 172.596 0.888 1
1 915 . 16 1 1 A 86 86 SER CA C 86 57.738 57.044 0.694 1
1 916 . 16 1 1 A 86 86 SER CB C 86 66.693 66.560 0.133 1
1 917 . 16 1 1 A 86 86 SER N N 86 111.910 114.301 -2.391 1
1 918 . 16 1 1 A 87 87 SER H H 87 8.105 7.940 0.165 1
1 919 . 16 1 1 A 87 87 SER HA H 87 4.827 5.214 -0.387 1
1 922 . 16 1 1 A 87 87 SER C C 87 173.377 173.084 0.293 1
1 923 . 16 1 1 A 87 87 SER CA C 87 57.737 57.538 0.199 1
1 924 . 16 1 1 A 87 87 SER CB C 87 65.849 67.276 -1.427 1
1 925 . 16 1 1 A 87 87 SER N N 87 112.598 116.057 -3.459 1
1 926 . 16 1 1 A 88 88 THR H H 88 8.778 8.615 0.163 1
1 927 . 16 1 1 A 88 88 THR HA H 88 5.439 5.183 0.256 1
1 932 . 16 1 1 A 88 88 THR C C 88 173.289 172.955 0.334 1
1 933 . 16 1 1 A 88 88 THR CA C 88 62.083 61.634 0.449 1
1 934 . 16 1 1 A 88 88 THR CB C 88 72.001 71.255 0.746 1
1 936 . 16 1 1 A 88 88 THR N N 88 120.383 117.287 3.096 1
1 937 . 16 1 1 A 89 89 LEU H H 89 8.832 9.296 -0.464 1
1 938 . 16 1 1 A 89 89 LEU HA H 89 4.766 5.098 -0.332 1
1 948 . 16 1 1 A 89 89 LEU C C 89 175.440 175.717 -0.277 1
1 949 . 16 1 1 A 89 89 LEU CA C 89 53.671 53.420 0.251 1
1 950 . 16 1 1 A 89 89 LEU CB C 89 45.972 42.852 3.120 1
1 954 . 16 1 1 A 89 89 LEU N N 89 128.653 128.521 0.132 1
1 955 . 16 1 1 A 90 90 THR H H 90 8.576 8.865 -0.289 1
1 956 . 16 1 1 A 90 90 THR HA H 90 5.622 5.349 0.273 1
1 961 . 16 1 1 A 90 90 THR C C 90 174.307 173.940 0.367 1
1 962 . 16 1 1 A 90 90 THR CA C 90 60.799 60.403 0.396 1
1 963 . 16 1 1 A 90 90 THR CB C 90 71.589 70.316 1.273 1
1 965 . 16 1 1 A 90 90 THR N N 90 115.259 117.110 -1.851 1
1 966 . 16 1 1 A 91 91 GLY H H 91 9.071 8.681 0.390 1
1 967 . 16 1 1 A 91 91 GLY HA2 H 91 4.605 4.384 0.221 1
1 968 . 16 1 1 A 91 91 GLY HA3 H 91 3.960 4.483 -0.523 1
1 969 . 16 1 1 A 91 91 GLY C C 91 170.717 172.261 -1.544 1
1 970 . 16 1 1 A 91 91 GLY CA C 91 45.314 45.249 0.065 1
1 971 . 16 1 1 A 91 91 GLY N N 91 112.300 111.360 0.940 1
1 972 . 16 1 1 A 92 92 ARG H H 92 8.558 8.746 -0.188 1
1 973 . 16 1 1 A 92 92 ARG HA H 92 5.594 5.127 0.467 1
1 980 . 16 1 1 A 92 92 ARG C C 92 173.260 173.842 -0.582 1
1 981 . 16 1 1 A 92 92 ARG CA C 92 54.806 54.445 0.361 1
1 982 . 16 1 1 A 92 92 ARG CB C 92 34.464 33.878 0.586 1
1 985 . 16 1 1 A 92 92 ARG N N 92 119.774 120.811 -1.037 1
1 986 . 16 1 1 A 93 93 VAL H H 93 8.430 8.925 -0.495 1
1 987 . 16 1 1 A 93 93 VAL HA H 93 4.081 4.476 -0.395 1
1 995 . 16 1 1 A 93 93 VAL C C 93 171.210 173.371 -2.161 1
1 996 . 16 1 1 A 93 93 VAL CA C 93 58.915 59.606 -0.691 1
1 997 . 16 1 1 A 93 93 VAL CB C 93 33.683 34.139 -0.456 1
1 1000 . 16 1 1 A 93 93 VAL N N 93 120.381 122.339 -1.958 1
1 1001 . 16 1 1 A 94 94 THR H H 94 8.129 8.793 -0.664 1
1 1002 . 16 1 1 A 94 94 THR HA H 94 5.342 4.760 0.582 1
1 1007 . 16 1 1 A 94 94 THR C C 94 174.637 174.586 0.051 1
1 1008 . 16 1 1 A 94 94 THR CA C 94 60.799 62.119 -1.320 1
1 1009 . 16 1 1 A 94 94 THR CB C 94 70.768 69.095 1.673 1
1 1011 . 16 1 1 A 94 94 THR N N 94 124.645 124.376 0.269 1
1 1012 . 16 1 1 A 95 95 THR H H 95 8.906 8.428 0.478 1
1 1013 . 16 1 1 A 95 95 THR HA H 95 4.115 4.331 -0.216 1
1 1018 . 16 1 1 A 95 95 THR C C 95 175.367 174.216 1.151 1
1 1019 . 16 1 1 A 95 95 THR CA C 95 60.909 62.065 -1.156 1
1 1020 . 16 1 1 A 95 95 THR CB C 95 70.346 70.180 0.166 1
1 1022 . 16 1 1 A 95 95 THR N N 95 116.835 120.990 -4.155 1
1 1023 . 16 1 1 A 96 96 LYS H H 96 7.372 8.663 -1.291 1
1 1024 . 16 1 1 A 96 96 LYS HA H 96 4.189 4.434 -0.245 1
1 1033 . 16 1 1 A 96 96 LYS C C 96 176.308 177.392 -1.084 1
1 1034 . 16 1 1 A 96 96 LYS CA C 96 55.207 55.996 -0.789 1
1 1035 . 16 1 1 A 96 96 LYS CB C 96 34.095 33.368 0.727 1
1 1039 . 16 1 1 A 96 96 LYS N N 96 116.829 121.948 -5.119 1
1 1040 . 16 1 1 A 97 97 LYS H H 97 8.113 8.583 -0.470 1
1 1041 . 16 1 1 A 97 97 LYS HA H 97 4.356 4.394 -0.038 1
1 1050 . 16 1 1 A 97 97 LYS C C 97 176.106 176.661 -0.555 1
1 1051 . 16 1 1 A 97 97 LYS CA C 97 56.260 56.593 -0.333 1
1 1052 . 16 1 1 A 97 97 LYS CB C 97 33.140 32.972 0.168 1
1 1056 . 16 1 1 A 97 97 LYS N N 97 119.233 121.691 -2.458 1
1 1057 . 16 1 1 A 98 98 ALA H H 98 8.484 8.752 -0.268 1
1 1058 . 16 1 1 A 98 98 ALA HA H 98 4.054 4.161 -0.107 1
1 1062 . 16 1 1 A 98 98 ALA C C 98 175.754 177.554 -1.800 1
1 1063 . 16 1 1 A 98 98 ALA CA C 98 50.511 50.552 -0.041 1
1 1064 . 16 1 1 A 98 98 ALA CB C 98 17.093 18.024 -0.931 1
1 1065 . 16 1 1 A 98 98 ALA N N 98 126.424 125.445 0.979 1
1 1066 . 16 1 1 A 99 99 PRO HA H 99 4.313 4.286 0.027 1
1 1073 . 16 1 1 A 99 99 PRO C C 99 176.506 176.629 -0.123 1
1 1074 . 16 1 1 A 99 99 PRO CA C 99 62.584 64.137 -1.553 1
1 1075 . 16 1 1 A 99 99 PRO CB C 99 32.024 31.753 0.271 1
1 1078 . 16 1 1 A 100 100 SER H H 100 8.377 7.999 0.378 1
1 1079 . 16 1 1 A 100 100 SER HA H 100 4.688 4.147 0.541 1
1 1082 . 16 1 1 A 100 100 SER CA C 100 56.296 58.574 -2.278 1
1 1083 . 16 1 1 A 100 100 SER CB C 100 63.276 61.821 1.455 1
1 1084 . 16 1 1 A 100 100 SER N N 100 117.700 112.461 5.239 1
1 1086 . 16 1 1 A 103 103 SER HA H 103 4.507 5.310 -0.803 1
1 1089 . 16 1 1 A 103 103 SER CA C 103 58.198 57.210 0.988 1
1 1090 . 16 1 1 A 103 103 SER CB C 103 63.882 65.972 -2.090 1
1 1091 . 16 1 1 A 104 104 GLY H H 104 8.233 8.365 -0.132 1
1 1092 . 16 1 1 A 104 104 GLY HA2 H 104 4.124 4.196 -0.072 1
1 1093 . 16 1 1 A 104 104 GLY HA3 H 104 4.124 4.196 -0.072 1
1 1094 . 16 1 1 A 104 104 GLY CA C 104 44.608 46.182 -1.574 1
1 1095 . 16 1 1 A 104 104 GLY N N 104 110.600 111.719 -1.119 1
1 1096 . 16 1 1 A 105 105 PRO HA H 105 4.460 4.496 -0.036 1
1 1103 . 16 1 1 A 105 105 PRO CA C 105 63.264 63.748 -0.484 1
1 1104 . 16 1 1 A 105 105 PRO CB C 105 32.094 31.835 0.259 1
1 1 . 17 1 1 A 6 6 SER HA H 6 4.470 4.901 -0.431 1
1 3 . 17 1 1 A 6 6 SER C C 6 175.031 173.723 1.308 1
1 4 . 17 1 1 A 6 6 SER CA C 6 58.687 57.470 1.217 1
1 5 . 17 1 1 A 6 6 SER CB C 6 63.635 67.325 -3.690 1
1 6 . 17 1 1 A 7 7 GLY H H 7 8.390 8.516 -0.126 1
1 7 . 17 1 1 A 7 7 GLY HA2 H 7 3.941 4.062 -0.121 1
1 8 . 17 1 1 A 7 7 GLY HA3 H 7 3.941 4.062 -0.121 1
1 9 . 17 1 1 A 7 7 GLY C C 7 173.892 174.470 -0.578 1
1 10 . 17 1 1 A 7 7 GLY CA C 7 45.348 46.482 -1.134 1
1 11 . 17 1 1 A 7 7 GLY N N 7 110.659 110.860 -0.201 1
1 12 . 17 1 1 A 8 8 LEU H H 8 8.017 7.772 0.245 1
1 13 . 17 1 1 A 8 8 LEU HA H 8 4.347 4.727 -0.380 1
1 23 . 17 1 1 A 8 8 LEU C C 8 176.816 175.250 1.566 1
1 24 . 17 1 1 A 8 8 LEU CA C 8 54.760 53.944 0.816 1
1 25 . 17 1 1 A 8 8 LEU CB C 8 42.565 43.448 -0.883 1
1 29 . 17 1 1 A 8 8 LEU N N 8 121.546 121.134 0.412 1
1 30 . 17 1 1 A 9 9 ALA H H 9 8.291 8.682 -0.391 1
1 31 . 17 1 1 A 9 9 ALA HA H 9 4.589 4.798 -0.209 1
1 35 . 17 1 1 A 9 9 ALA C C 9 174.928 174.189 0.739 1
1 36 . 17 1 1 A 9 9 ALA CA C 9 50.381 49.900 0.481 1
1 37 . 17 1 1 A 9 9 ALA CB C 9 18.293 22.270 -3.977 1
1 38 . 17 1 1 A 9 9 ALA N N 9 126.618 126.356 0.262 1
1 39 . 17 1 1 A 10 10 PRO HA H 10 4.708 4.627 0.081 1
1 45 . 17 1 1 A 10 10 PRO CA C 10 61.347 61.830 -0.483 1
1 46 . 17 1 1 A 10 10 PRO CB C 10 30.783 32.406 -1.623 1
1 49 . 17 1 1 A 11 11 PRO HA H 11 4.442 4.374 0.068 1
1 56 . 17 1 1 A 11 11 PRO C C 11 176.585 176.542 0.043 1
1 57 . 17 1 1 A 11 11 PRO CA C 11 63.016 64.907 -1.891 1
1 58 . 17 1 1 A 11 11 PRO CB C 11 32.096 32.301 -0.205 1
1 61 . 17 1 1 A 12 12 ARG H H 12 8.348 7.725 0.623 1
1 62 . 17 1 1 A 12 12 ARG HA H 12 4.405 5.091 -0.686 1
1 69 . 17 1 1 A 12 12 ARG C C 12 175.204 174.697 0.507 1
1 70 . 17 1 1 A 12 12 ARG CA C 12 55.797 54.221 1.576 1
1 71 . 17 1 1 A 12 12 ARG CB C 12 32.052 35.002 -2.950 1
1 74 . 17 1 1 A 12 12 ARG N N 12 120.519 118.052 2.467 1
1 75 . 17 1 1 A 13 13 HIS H H 13 8.296 8.783 -0.487 1
1 76 . 17 1 1 A 13 13 HIS HA H 13 4.815 5.328 -0.513 1
1 81 . 17 1 1 A 13 13 HIS C C 13 174.544 175.153 -0.609 1
1 82 . 17 1 1 A 13 13 HIS CA C 13 55.783 54.445 1.338 1
1 83 . 17 1 1 A 13 13 HIS CB C 13 32.469 32.484 -0.015 1
1 86 . 17 1 1 A 13 13 HIS N N 13 118.569 117.022 1.547 1
1 87 . 17 1 1 A 14 14 LEU H H 14 8.209 8.454 -0.245 1
1 88 . 17 1 1 A 14 14 LEU HA H 14 4.655 4.850 -0.195 1
1 98 . 17 1 1 A 14 14 LEU C C 14 175.977 175.953 0.024 1
1 99 . 17 1 1 A 14 14 LEU CA C 14 53.935 53.812 0.123 1
1 100 . 17 1 1 A 14 14 LEU CB C 14 44.113 43.517 0.596 1
1 104 . 17 1 1 A 14 14 LEU N N 14 120.625 122.500 -1.875 1
1 105 . 17 1 1 A 15 15 GLY H H 15 7.988 7.607 0.381 1
1 106 . 17 1 1 A 15 15 GLY HA2 H 15 4.008 3.003 1.005 1
1 107 . 17 1 1 A 15 15 GLY HA3 H 15 2.486 3.886 -1.400 1
1 108 . 17 1 1 A 15 15 GLY C C 15 170.056 170.758 -0.702 1
1 109 . 17 1 1 A 15 15 GLY CA C 15 43.188 43.973 -0.785 1
1 110 . 17 1 1 A 15 15 GLY N N 15 111.142 107.970 3.172 1
1 111 . 17 1 1 A 16 16 PHE H H 16 8.078 8.549 -0.471 1
1 112 . 17 1 1 A 16 16 PHE HA H 16 5.830 5.447 0.383 1
1 120 . 17 1 1 A 16 16 PHE C C 16 175.968 175.025 0.943 1
1 121 . 17 1 1 A 16 16 PHE CA C 16 56.048 55.952 0.096 1
1 122 . 17 1 1 A 16 16 PHE CB C 16 43.353 41.520 1.833 1
1 128 . 17 1 1 A 16 16 PHE N N 16 114.388 122.600 -8.212 1
1 129 . 17 1 1 A 17 17 SER H H 17 9.811 8.750 1.061 1
1 130 . 17 1 1 A 17 17 SER HA H 17 4.883 5.184 -0.301 1
1 133 . 17 1 1 A 17 17 SER C C 17 171.638 174.313 -2.675 1
1 134 . 17 1 1 A 17 17 SER CA C 17 57.073 57.261 -0.188 1
1 135 . 17 1 1 A 17 17 SER CB C 17 66.893 67.241 -0.348 1
1 136 . 17 1 1 A 17 17 SER N N 17 118.688 118.513 0.175 1
1 137 . 17 1 1 A 18 18 ASP H H 18 9.001 9.024 -0.023 1
1 138 . 17 1 1 A 18 18 ASP HA H 18 4.171 4.244 -0.073 1
1 141 . 17 1 1 A 18 18 ASP C C 18 174.520 175.271 -0.751 1
1 142 . 17 1 1 A 18 18 ASP CA C 18 55.333 55.159 0.174 1
1 143 . 17 1 1 A 18 18 ASP CB C 18 40.075 40.343 -0.268 1
1 144 . 17 1 1 A 18 18 ASP N N 18 116.878 123.856 -6.978 1
1 145 . 17 1 1 A 19 19 VAL H H 19 8.202 7.987 0.215 1
1 146 . 17 1 1 A 19 19 VAL HA H 19 4.169 4.033 0.136 1
1 154 . 17 1 1 A 19 19 VAL C C 19 176.641 175.375 1.266 1
1 155 . 17 1 1 A 19 19 VAL CA C 19 63.962 63.531 0.431 1
1 156 . 17 1 1 A 19 19 VAL CB C 19 31.236 31.753 -0.517 1
1 159 . 17 1 1 A 19 19 VAL N N 19 117.253 120.337 -3.084 1
1 160 . 17 1 1 A 20 20 SER H H 20 9.066 9.053 0.013 1
1 161 . 17 1 1 A 20 20 SER HA H 20 5.061 4.910 0.151 1
1 164 . 17 1 1 A 20 20 SER C C 20 174.081 174.807 -0.726 1
1 165 . 17 1 1 A 20 20 SER CA C 20 55.582 57.014 -1.432 1
1 166 . 17 1 1 A 20 20 SER CB C 20 65.090 66.465 -1.375 1
1 167 . 17 1 1 A 20 20 SER N N 20 126.686 119.647 7.039 1
1 168 . 17 1 1 A 21 21 HIS H H 21 8.635 8.369 0.266 1
1 169 . 17 1 1 A 21 21 HIS HA H 21 4.895 4.937 -0.042 1
1 174 . 17 1 1 A 21 21 HIS C C 21 175.242 175.534 -0.292 1
1 175 . 17 1 1 A 21 21 HIS CA C 21 56.934 56.307 0.627 1
1 176 . 17 1 1 A 21 21 HIS CB C 21 30.651 30.139 0.512 1
1 179 . 17 1 1 A 21 21 HIS N N 21 117.241 120.888 -3.647 1
1 180 . 17 1 1 A 22 22 ASP H H 22 7.400 7.865 -0.465 1
1 181 . 17 1 1 A 22 22 ASP HA H 22 4.803 4.963 -0.160 1
1 184 . 17 1 1 A 22 22 ASP C C 22 176.754 175.127 1.627 1
1 185 . 17 1 1 A 22 22 ASP CA C 22 52.316 53.292 -0.976 1
1 186 . 17 1 1 A 22 22 ASP CB C 22 41.697 41.977 -0.280 1
1 187 . 17 1 1 A 22 22 ASP N N 22 115.766 116.248 -0.482 1
1 188 . 17 1 1 A 23 23 ALA H H 23 7.379 7.478 -0.099 1
1 189 . 17 1 1 A 23 23 ALA HA H 23 4.753 4.424 0.329 1
1 193 . 17 1 1 A 23 23 ALA C C 23 174.757 175.044 -0.287 1
1 194 . 17 1 1 A 23 23 ALA CA C 23 51.613 51.552 0.061 1
1 195 . 17 1 1 A 23 23 ALA CB C 23 22.882 22.418 0.464 1
1 196 . 17 1 1 A 23 23 ALA N N 23 122.521 119.147 3.374 1
1 197 . 17 1 1 A 24 24 ALA H H 24 7.745 8.348 -0.603 1
1 198 . 17 1 1 A 24 24 ALA HA H 24 4.593 4.836 -0.243 1
1 202 . 17 1 1 A 24 24 ALA C C 24 173.662 175.287 -1.625 1
1 203 . 17 1 1 A 24 24 ALA CA C 24 52.233 51.853 0.380 1
1 204 . 17 1 1 A 24 24 ALA CB C 24 22.894 22.541 0.353 1
1 205 . 17 1 1 A 24 24 ALA N N 24 115.485 120.066 -4.581 1
1 206 . 17 1 1 A 25 25 ARG H H 25 8.690 8.772 -0.082 1
1 207 . 17 1 1 A 25 25 ARG HA H 25 5.209 4.886 0.323 1
1 214 . 17 1 1 A 25 25 ARG C C 25 174.777 174.983 -0.206 1
1 215 . 17 1 1 A 25 25 ARG CA C 25 55.161 55.398 -0.237 1
1 216 . 17 1 1 A 25 25 ARG CB C 25 32.329 31.680 0.649 1
1 219 . 17 1 1 A 25 25 ARG N N 25 122.853 123.950 -1.097 1
1 220 . 17 1 1 A 26 26 VAL H H 26 8.865 9.037 -0.172 1
1 221 . 17 1 1 A 26 26 VAL HA H 26 5.120 5.001 0.119 1
1 229 . 17 1 1 A 26 26 VAL C C 26 172.428 175.089 -2.661 1
1 230 . 17 1 1 A 26 26 VAL CA C 26 57.420 59.915 -2.495 1
1 231 . 17 1 1 A 26 26 VAL CB C 26 34.734 34.610 0.124 1
1 234 . 17 1 1 A 26 26 VAL N N 26 125.534 127.231 -1.697 1
1 235 . 17 1 1 A 27 27 PHE H H 27 8.520 8.830 -0.310 1
1 236 . 17 1 1 A 27 27 PHE HA H 27 5.039 5.446 -0.407 1
1 244 . 17 1 1 A 27 27 PHE C C 27 172.979 172.741 0.238 1
1 245 . 17 1 1 A 27 27 PHE CA C 27 56.293 55.136 1.157 1
1 246 . 17 1 1 A 27 27 PHE CB C 27 42.190 42.791 -0.601 1
1 252 . 17 1 1 A 27 27 PHE N N 27 123.552 122.310 1.242 1
1 253 . 17 1 1 A 28 28 TRP H H 28 7.813 8.408 -0.595 1
1 254 . 17 1 1 A 28 28 TRP HA H 28 5.058 5.662 -0.604 1
1 263 . 17 1 1 A 28 28 TRP C C 28 174.131 176.014 -1.883 1
1 264 . 17 1 1 A 28 28 TRP CA C 28 55.730 54.712 1.018 1
1 265 . 17 1 1 A 28 28 TRP CB C 28 30.997 32.539 -1.542 1
1 271 . 17 1 1 A 28 28 TRP N N 28 116.968 119.252 -2.284 1
1 273 . 17 1 1 A 29 29 GLU H H 29 8.362 9.182 -0.820 1
1 274 . 17 1 1 A 29 29 GLU HA H 29 4.356 4.472 -0.116 1
1 279 . 17 1 1 A 29 29 GLU C C 29 177.125 176.832 0.293 1
1 280 . 17 1 1 A 29 29 GLU CA C 29 55.820 56.403 -0.583 1
1 281 . 17 1 1 A 29 29 GLU CB C 29 31.085 29.918 1.167 1
1 283 . 17 1 1 A 29 29 GLU N N 29 119.239 118.514 0.725 1
1 284 . 17 1 1 A 30 30 GLY H H 30 8.729 8.260 0.469 1
1 285 . 17 1 1 A 30 30 GLY HA2 H 30 4.051 4.215 -0.164 1
1 286 . 17 1 1 A 30 30 GLY HA3 H 30 3.781 4.431 -0.650 1
1 287 . 17 1 1 A 30 30 GLY C C 30 173.621 172.701 0.920 1
1 288 . 17 1 1 A 30 30 GLY CA C 30 45.559 44.865 0.694 1
1 289 . 17 1 1 A 30 30 GLY N N 30 110.979 107.682 3.297 1
1 290 . 17 1 1 A 31 31 ALA H H 31 8.747 8.171 0.576 1
1 291 . 17 1 1 A 31 31 ALA HA H 31 4.577 4.902 -0.325 1
1 295 . 17 1 1 A 31 31 ALA C C 31 177.064 177.361 -0.297 1
1 296 . 17 1 1 A 31 31 ALA CA C 31 50.416 49.337 1.079 1
1 297 . 17 1 1 A 31 31 ALA CB C 31 19.221 21.419 -2.198 1
1 298 . 17 1 1 A 31 31 ALA N N 31 126.357 121.507 4.850 1
1 299 . 17 1 1 A 32 32 PRO HA H 32 4.630 4.488 0.142 1
1 306 . 17 1 1 A 32 32 PRO C C 32 175.001 175.158 -0.157 1
1 307 . 17 1 1 A 32 32 PRO CA C 32 63.368 64.019 -0.651 1
1 308 . 17 1 1 A 32 32 PRO CB C 32 30.738 31.712 -0.974 1
1 311 . 17 1 1 A 33 33 ARG H H 33 7.418 7.400 0.018 1
1 312 . 17 1 1 A 33 33 ARG HA H 33 4.746 4.805 -0.059 1
1 319 . 17 1 1 A 33 33 ARG C C 33 172.695 174.111 -1.416 1
1 320 . 17 1 1 A 33 33 ARG CA C 33 53.205 53.568 -0.363 1
1 321 . 17 1 1 A 33 33 ARG CB C 33 30.414 32.252 -1.838 1
1 324 . 17 1 1 A 33 33 ARG N N 33 117.994 114.315 3.679 1
1 325 . 17 1 1 A 34 34 PRO HA H 34 4.273 4.761 -0.488 1
1 332 . 17 1 1 A 34 34 PRO C C 34 175.342 175.355 -0.013 1
1 333 . 17 1 1 A 34 34 PRO CA C 34 64.037 62.548 1.489 1
1 334 . 17 1 1 A 34 34 PRO CB C 34 32.581 32.445 0.136 1
1 337 . 17 1 1 A 35 35 VAL H H 35 8.264 8.538 -0.274 1
1 338 . 17 1 1 A 35 35 VAL HA H 35 4.237 5.123 -0.886 1
1 346 . 17 1 1 A 35 35 VAL C C 35 175.771 176.377 -0.606 1
1 347 . 17 1 1 A 35 35 VAL CA C 35 61.890 59.812 2.078 1
1 348 . 17 1 1 A 35 35 VAL CB C 35 35.092 35.783 -0.691 1
1 351 . 17 1 1 A 35 35 VAL N N 35 122.377 122.133 0.244 1
1 352 . 17 1 1 A 36 36 ARG H H 36 9.278 8.316 0.962 1
1 353 . 17 1 1 A 36 36 ARG HA H 36 4.426 4.575 -0.149 1
1 360 . 17 1 1 A 36 36 ARG C C 36 175.620 176.076 -0.456 1
1 361 . 17 1 1 A 36 36 ARG CA C 36 57.672 56.856 0.816 1
1 362 . 17 1 1 A 36 36 ARG CB C 36 31.595 31.700 -0.105 1
1 365 . 17 1 1 A 36 36 ARG N N 36 125.821 124.818 1.003 1
1 366 . 17 1 1 A 37 37 LEU H H 37 7.525 7.215 0.310 1
1 367 . 17 1 1 A 37 37 LEU HA H 37 4.403 4.858 -0.455 1
1 377 . 17 1 1 A 37 37 LEU C C 37 172.405 174.152 -1.747 1
1 378 . 17 1 1 A 37 37 LEU CA C 37 54.913 54.010 0.903 1
1 379 . 17 1 1 A 37 37 LEU CB C 37 46.166 45.863 0.303 1
1 383 . 17 1 1 A 37 37 LEU N N 37 119.761 119.899 -0.138 1
1 384 . 17 1 1 A 38 38 VAL H H 38 8.513 8.609 -0.096 1
1 385 . 17 1 1 A 38 38 VAL HA H 38 4.790 4.755 0.035 1
1 393 . 17 1 1 A 38 38 VAL C C 38 174.595 174.776 -0.181 1
1 394 . 17 1 1 A 38 38 VAL CA C 38 60.992 61.089 -0.097 1
1 395 . 17 1 1 A 38 38 VAL CB C 38 33.979 34.724 -0.745 1
1 398 . 17 1 1 A 38 38 VAL N N 38 123.604 124.208 -0.604 1
1 399 . 17 1 1 A 39 39 ARG H H 39 9.025 9.290 -0.265 1
1 400 . 17 1 1 A 39 39 ARG HA H 39 4.839 5.123 -0.284 1
1 407 . 17 1 1 A 39 39 ARG C C 39 174.581 175.084 -0.503 1
1 408 . 17 1 1 A 39 39 ARG CA C 39 55.150 54.442 0.708 1
1 409 . 17 1 1 A 39 39 ARG CB C 39 32.919 32.161 0.758 1
1 412 . 17 1 1 A 39 39 ARG N N 39 126.442 126.625 -0.183 1
1 413 . 17 1 1 A 40 40 VAL H H 40 9.059 9.029 0.030 1
1 414 . 17 1 1 A 40 40 VAL HA H 40 5.177 5.023 0.154 1
1 422 . 17 1 1 A 40 40 VAL C C 40 175.508 175.315 0.193 1
1 423 . 17 1 1 A 40 40 VAL CA C 40 60.513 61.127 -0.614 1
1 424 . 17 1 1 A 40 40 VAL CB C 40 33.390 34.190 -0.800 1
1 427 . 17 1 1 A 40 40 VAL N N 40 127.219 124.845 2.374 1
1 428 . 17 1 1 A 41 41 THR H H 41 9.244 8.819 0.425 1
1 429 . 17 1 1 A 41 41 THR HA H 41 5.056 5.212 -0.156 1
1 434 . 17 1 1 A 41 41 THR C C 41 173.323 173.013 0.310 1
1 435 . 17 1 1 A 41 41 THR CA C 41 59.618 60.532 -0.914 1
1 436 . 17 1 1 A 41 41 THR CB C 41 71.668 71.248 0.420 1
1 438 . 17 1 1 A 41 41 THR N N 41 117.579 117.793 -0.214 1
1 439 . 17 1 1 A 42 42 TYR H H 42 7.955 8.369 -0.414 1
1 440 . 17 1 1 A 42 42 TYR HA H 42 5.825 6.185 -0.360 1
1 447 . 17 1 1 A 42 42 TYR C C 42 173.794 173.720 0.074 1
1 448 . 17 1 1 A 42 42 TYR CA C 42 54.314 55.245 -0.931 1
1 449 . 17 1 1 A 42 42 TYR CB C 42 39.788 42.149 -2.361 1
1 454 . 17 1 1 A 42 42 TYR N N 42 117.304 120.393 -3.089 1
1 455 . 17 1 1 A 43 43 VAL H H 43 8.547 8.693 -0.146 1
1 456 . 17 1 1 A 43 43 VAL HA H 43 5.069 4.889 0.180 1
1 464 . 17 1 1 A 43 43 VAL C C 43 174.912 174.192 0.720 1
1 465 . 17 1 1 A 43 43 VAL CA C 43 60.142 60.218 -0.076 1
1 466 . 17 1 1 A 43 43 VAL CB C 43 35.329 35.850 -0.521 1
1 469 . 17 1 1 A 43 43 VAL N N 43 119.038 121.728 -2.690 1
1 470 . 17 1 1 A 44 44 SER H H 44 9.123 8.455 0.668 1
1 471 . 17 1 1 A 44 44 SER HA H 44 4.307 3.640 0.667 1
1 474 . 17 1 1 A 44 44 SER C C 44 176.777 175.690 1.087 1
1 475 . 17 1 1 A 44 44 SER CA C 44 57.838 57.044 0.794 1
1 476 . 17 1 1 A 44 44 SER CB C 44 64.064 64.742 -0.678 1
1 477 . 17 1 1 A 44 44 SER N N 44 124.942 119.128 5.814 1
1 478 . 17 1 1 A 45 45 SER H H 45 8.562 7.989 0.573 1
1 479 . 17 1 1 A 45 45 SER HA H 45 4.175 4.037 0.138 1
1 482 . 17 1 1 A 45 45 SER C C 45 175.366 174.704 0.662 1
1 483 . 17 1 1 A 45 45 SER CA C 45 61.239 61.851 -0.612 1
1 484 . 17 1 1 A 45 45 SER CB C 45 62.976 62.897 0.079 1
1 485 . 17 1 1 A 45 45 SER N N 45 119.157 115.699 3.458 1
1 486 . 17 1 1 A 46 46 GLU H H 46 8.321 7.676 0.645 1
1 487 . 17 1 1 A 46 46 GLU HA H 46 4.442 4.699 -0.257 1
1 492 . 17 1 1 A 46 46 GLU C C 46 177.463 176.624 0.839 1
1 493 . 17 1 1 A 46 46 GLU CA C 46 56.409 55.089 1.320 1
1 494 . 17 1 1 A 46 46 GLU CB C 46 29.633 31.993 -2.360 1
1 496 . 17 1 1 A 46 46 GLU N N 46 119.112 117.933 1.179 1
1 497 . 17 1 1 A 47 47 GLY H H 47 8.129 8.647 -0.518 1
1 498 . 17 1 1 A 47 47 GLY HA2 H 47 4.150 3.893 0.257 1
1 499 . 17 1 1 A 47 47 GLY HA3 H 47 3.646 3.903 -0.257 1
1 500 . 17 1 1 A 47 47 GLY C C 47 175.047 174.668 0.379 1
1 501 . 17 1 1 A 47 47 GLY CA C 47 45.400 46.643 -1.243 1
1 502 . 17 1 1 A 47 47 GLY N N 47 109.344 108.100 1.244 1
1 503 . 17 1 1 A 48 48 GLY H H 48 7.927 8.428 -0.501 1
1 504 . 17 1 1 A 48 48 GLY HA2 H 48 3.982 4.065 -0.083 1
1 505 . 17 1 1 A 48 48 GLY HA3 H 48 3.855 4.073 -0.218 1
1 506 . 17 1 1 A 48 48 GLY C C 48 173.614 173.606 0.008 1
1 507 . 17 1 1 A 48 48 GLY CA C 48 46.073 46.049 0.024 1
1 508 . 17 1 1 A 48 48 GLY N N 48 107.840 111.485 -3.645 1
1 509 . 17 1 1 A 49 49 HIS H H 49 7.985 7.520 0.465 1
1 510 . 17 1 1 A 49 49 HIS HA H 49 4.951 4.901 0.050 1
1 515 . 17 1 1 A 49 49 HIS C C 49 173.760 173.326 0.434 1
1 516 . 17 1 1 A 49 49 HIS CA C 49 56.608 54.239 2.369 1
1 517 . 17 1 1 A 49 49 HIS CB C 49 33.119 32.044 1.075 1
1 520 . 17 1 1 A 49 49 HIS N N 49 120.577 119.829 0.748 1
1 521 . 17 1 1 A 50 50 SER H H 50 8.118 8.859 -0.741 1
1 522 . 17 1 1 A 50 50 SER HA H 50 5.184 5.200 -0.016 1
1 525 . 17 1 1 A 50 50 SER C C 50 172.582 173.430 -0.848 1
1 526 . 17 1 1 A 50 50 SER CA C 50 56.463 56.128 0.335 1
1 527 . 17 1 1 A 50 50 SER CB C 50 66.423 65.991 0.432 1
1 528 . 17 1 1 A 50 50 SER N N 50 120.879 120.159 0.720 1
1 529 . 17 1 1 A 51 51 GLY H H 51 7.900 8.363 -0.463 1
1 530 . 17 1 1 A 51 51 GLY HA2 H 51 4.027 3.584 0.443 1
1 531 . 17 1 1 A 51 51 GLY HA3 H 51 3.236 4.071 -0.835 1
1 532 . 17 1 1 A 51 51 GLY C C 51 171.073 171.997 -0.924 1
1 533 . 17 1 1 A 51 51 GLY CA C 51 44.696 44.131 0.565 1
1 534 . 17 1 1 A 51 51 GLY N N 51 108.215 108.798 -0.583 1
1 535 . 17 1 1 A 52 52 GLN H H 52 8.256 8.464 -0.208 1
1 536 . 17 1 1 A 52 52 GLN HA H 52 5.308 5.299 0.009 1
1 543 . 17 1 1 A 52 52 GLN C C 52 174.217 173.619 0.598 1
1 544 . 17 1 1 A 52 52 GLN CA C 52 54.516 55.420 -0.904 1
1 545 . 17 1 1 A 52 52 GLN CB C 52 32.541 32.797 -0.256 1
1 547 . 17 1 1 A 52 52 GLN N N 52 115.667 119.045 -3.378 1
1 549 . 17 1 1 A 53 53 THR H H 53 9.298 8.876 0.422 1
1 550 . 17 1 1 A 53 53 THR HA H 53 4.753 5.225 -0.472 1
1 555 . 17 1 1 A 53 53 THR C C 53 171.720 172.651 -0.931 1
1 556 . 17 1 1 A 53 53 THR CA C 53 60.869 59.414 1.455 1
1 557 . 17 1 1 A 53 53 THR CB C 53 70.580 72.578 -1.998 1
1 559 . 17 1 1 A 53 53 THR N N 53 117.486 119.596 -2.110 1
1 560 . 17 1 1 A 54 54 GLU H H 54 8.404 8.528 -0.124 1
1 561 . 17 1 1 A 54 54 GLU HA H 54 5.378 5.338 0.040 1
1 566 . 17 1 1 A 54 54 GLU C C 54 174.705 175.452 -0.747 1
1 567 . 17 1 1 A 54 54 GLU CA C 54 54.693 54.787 -0.094 1
1 568 . 17 1 1 A 54 54 GLU CB C 54 33.434 33.345 0.089 1
1 570 . 17 1 1 A 54 54 GLU N N 54 123.651 123.797 -0.146 1
1 571 . 17 1 1 A 55 55 ALA H H 55 9.471 8.953 0.518 1
1 572 . 17 1 1 A 55 55 ALA HA H 55 5.056 4.912 0.144 1
1 576 . 17 1 1 A 55 55 ALA C C 55 172.938 173.895 -0.957 1
1 577 . 17 1 1 A 55 55 ALA CA C 55 49.216 50.054 -0.838 1
1 578 . 17 1 1 A 55 55 ALA CB C 55 20.410 21.742 -1.332 1
1 579 . 17 1 1 A 55 55 ALA N N 55 126.815 122.985 3.830 1
1 580 . 17 1 1 A 56 56 PRO HA H 56 4.630 4.734 -0.104 1
1 587 . 17 1 1 A 56 56 PRO C C 56 176.935 178.187 -1.252 1
1 588 . 17 1 1 A 56 56 PRO CA C 56 62.303 62.961 -0.658 1
1 589 . 17 1 1 A 56 56 PRO CB C 56 32.745 32.537 0.208 1
1 592 . 17 1 1 A 57 57 GLY H H 57 8.240 8.745 -0.505 1
1 593 . 17 1 1 A 57 57 GLY HA2 H 57 3.839 3.913 -0.074 1
1 594 . 17 1 1 A 57 57 GLY HA3 H 57 3.547 3.935 -0.388 1
1 595 . 17 1 1 A 57 57 GLY C C 57 173.839 175.399 -1.560 1
1 596 . 17 1 1 A 57 57 GLY CA C 57 47.092 46.886 0.206 1
1 597 . 17 1 1 A 57 57 GLY N N 57 104.338 111.097 -6.759 1
1 598 . 17 1 1 A 58 58 ASN H H 58 7.935 7.912 0.023 1
1 599 . 17 1 1 A 58 58 ASN HA H 58 4.778 4.657 0.121 1
1 604 . 17 1 1 A 58 58 ASN C C 58 175.578 176.020 -0.442 1
1 605 . 17 1 1 A 58 58 ASN CA C 58 52.176 55.264 -3.088 1
1 606 . 17 1 1 A 58 58 ASN CB C 58 37.384 39.199 -1.815 1
1 607 . 17 1 1 A 58 58 ASN N N 58 114.653 119.092 -4.439 1
1 609 . 17 1 1 A 59 59 ALA H H 59 8.041 7.547 0.494 1
1 610 . 17 1 1 A 59 59 ALA HA H 59 4.360 4.159 0.201 1
1 614 . 17 1 1 A 59 59 ALA C C 59 177.738 178.159 -0.421 1
1 615 . 17 1 1 A 59 59 ALA CA C 59 52.792 52.984 -0.192 1
1 616 . 17 1 1 A 59 59 ALA CB C 59 20.834 19.260 1.574 1
1 617 . 17 1 1 A 59 59 ALA N N 59 124.183 121.714 2.469 1
1 618 . 17 1 1 A 60 60 THR H H 60 8.274 8.675 -0.401 1
1 619 . 17 1 1 A 60 60 THR HA H 60 3.299 3.748 -0.449 1
1 624 . 17 1 1 A 60 60 THR C C 60 171.681 172.837 -1.156 1
1 625 . 17 1 1 A 60 60 THR CA C 60 59.732 60.582 -0.850 1
1 626 . 17 1 1 A 60 60 THR CB C 60 69.010 68.586 0.424 1
1 628 . 17 1 1 A 60 60 THR N N 60 108.095 113.584 -5.489 1
1 629 . 17 1 1 A 61 61 SER H H 61 6.728 7.367 -0.639 1
1 630 . 17 1 1 A 61 61 SER HA H 61 4.584 4.610 -0.026 1
1 633 . 17 1 1 A 61 61 SER C C 61 172.948 172.755 0.193 1
1 634 . 17 1 1 A 61 61 SER CA C 61 57.403 57.194 0.209 1
1 635 . 17 1 1 A 61 61 SER CB C 61 65.767 65.505 0.262 1
1 636 . 17 1 1 A 61 61 SER N N 61 110.991 113.447 -2.456 1
1 637 . 17 1 1 A 62 62 ALA H H 62 8.954 8.755 0.199 1
1 638 . 17 1 1 A 62 62 ALA HA H 62 4.581 5.162 -0.581 1
1 642 . 17 1 1 A 62 62 ALA C C 62 174.741 175.985 -1.244 1
1 643 . 17 1 1 A 62 62 ALA CA C 62 51.949 51.235 0.714 1
1 644 . 17 1 1 A 62 62 ALA CB C 62 21.659 24.023 -2.364 1
1 645 . 17 1 1 A 62 62 ALA N N 62 119.306 122.431 -3.125 1
1 646 . 17 1 1 A 63 63 MET H H 63 8.599 8.641 -0.042 1
1 647 . 17 1 1 A 63 63 MET HA H 63 4.993 5.254 -0.261 1
1 655 . 17 1 1 A 63 63 MET C C 63 175.386 174.852 0.534 1
1 656 . 17 1 1 A 63 63 MET CA C 63 53.760 53.734 0.026 1
1 657 . 17 1 1 A 63 63 MET CB C 63 31.842 34.853 -3.011 1
1 660 . 17 1 1 A 63 63 MET N N 63 120.537 118.934 1.603 1
1 661 . 17 1 1 A 64 64 LEU H H 64 9.244 8.429 0.815 1
1 662 . 17 1 1 A 64 64 LEU HA H 64 4.494 4.835 -0.341 1
1 672 . 17 1 1 A 64 64 LEU C C 64 175.976 175.794 0.182 1
1 673 . 17 1 1 A 64 64 LEU CA C 64 52.988 53.448 -0.460 1
1 674 . 17 1 1 A 64 64 LEU CB C 64 42.785 44.868 -2.083 1
1 678 . 17 1 1 A 64 64 LEU N N 64 124.823 122.777 2.046 1
1 679 . 17 1 1 A 65 65 GLY H H 65 7.516 7.945 -0.429 1
1 680 . 17 1 1 A 65 65 GLY HA2 H 65 4.505 4.012 0.493 1
1 681 . 17 1 1 A 65 65 GLY HA3 H 65 3.237 4.032 -0.795 1
1 682 . 17 1 1 A 65 65 GLY C C 65 170.608 173.192 -2.584 1
1 683 . 17 1 1 A 65 65 GLY CA C 65 44.505 44.183 0.322 1
1 684 . 17 1 1 A 65 65 GLY N N 65 106.855 107.908 -1.053 1
1 685 . 17 1 1 A 66 66 PRO HA H 66 4.626 4.697 -0.071 1
1 692 . 17 1 1 A 66 66 PRO C C 66 176.262 176.077 0.185 1
1 693 . 17 1 1 A 66 66 PRO CA C 66 62.542 62.778 -0.236 1
1 694 . 17 1 1 A 66 66 PRO CB C 66 34.107 32.273 1.834 1
1 697 . 17 1 1 A 67 67 LEU H H 67 8.487 8.796 -0.309 1
1 698 . 17 1 1 A 67 67 LEU HA H 67 4.586 4.839 -0.253 1
1 708 . 17 1 1 A 67 67 LEU C C 67 176.158 176.011 0.147 1
1 709 . 17 1 1 A 67 67 LEU CA C 67 52.335 53.104 -0.769 1
1 710 . 17 1 1 A 67 67 LEU CB C 67 43.440 43.669 -0.229 1
1 714 . 17 1 1 A 67 67 LEU N N 67 124.582 122.441 2.141 1
1 715 . 17 1 1 A 68 68 SER H H 68 8.958 8.852 0.106 1
1 716 . 17 1 1 A 68 68 SER HA H 68 4.529 4.947 -0.418 1
1 719 . 17 1 1 A 68 68 SER C C 68 174.360 174.208 0.152 1
1 720 . 17 1 1 A 68 68 SER CA C 68 58.649 57.143 1.506 1
1 721 . 17 1 1 A 68 68 SER CB C 68 64.239 65.783 -1.544 1
1 722 . 17 1 1 A 68 68 SER N N 68 117.670 117.648 0.022 1
1 723 . 17 1 1 A 69 69 SER H H 69 8.511 8.714 -0.203 1
1 724 . 17 1 1 A 69 69 SER HA H 69 5.085 5.296 -0.211 1
1 727 . 17 1 1 A 69 69 SER C C 69 175.660 174.011 1.649 1
1 728 . 17 1 1 A 69 69 SER CA C 69 59.071 56.317 2.754 1
1 729 . 17 1 1 A 69 69 SER CB C 69 64.439 65.883 -1.444 1
1 730 . 17 1 1 A 69 69 SER N N 69 119.760 114.374 5.386 1
1 731 . 17 1 1 A 70 70 SER H H 70 7.974 8.850 -0.876 1
1 732 . 17 1 1 A 70 70 SER HA H 70 3.799 4.172 -0.373 1
1 735 . 17 1 1 A 70 70 SER C C 70 173.645 173.019 0.626 1
1 736 . 17 1 1 A 70 70 SER CA C 70 58.453 59.245 -0.792 1
1 737 . 17 1 1 A 70 70 SER CB C 70 62.477 62.036 0.441 1
1 738 . 17 1 1 A 70 70 SER N N 70 121.170 116.201 4.969 1
1 739 . 17 1 1 A 71 71 THR H H 71 8.325 7.676 0.649 1
1 740 . 17 1 1 A 71 71 THR HA H 71 4.482 4.727 -0.245 1
1 745 . 17 1 1 A 71 71 THR C C 71 171.950 173.558 -1.608 1
1 746 . 17 1 1 A 71 71 THR CA C 71 62.453 61.523 0.930 1
1 747 . 17 1 1 A 71 71 THR CB C 71 72.120 71.520 0.600 1
1 749 . 17 1 1 A 71 71 THR N N 71 115.265 114.829 0.436 1
1 750 . 17 1 1 A 72 72 THR H H 72 8.963 8.846 0.117 1
1 751 . 17 1 1 A 72 72 THR HA H 72 5.044 4.589 0.455 1
1 756 . 17 1 1 A 72 72 THR C C 72 173.198 173.755 -0.557 1
1 757 . 17 1 1 A 72 72 THR CA C 72 62.216 63.103 -0.887 1
1 758 . 17 1 1 A 72 72 THR CB C 72 69.392 69.588 -0.196 1
1 760 . 17 1 1 A 72 72 THR N N 72 124.221 121.487 2.734 1
1 761 . 17 1 1 A 73 73 TYR H H 73 9.711 9.221 0.490 1
1 762 . 17 1 1 A 73 73 TYR HA H 73 4.852 5.513 -0.661 1
1 767 . 17 1 1 A 73 73 TYR C C 73 175.854 174.924 0.930 1
1 768 . 17 1 1 A 73 73 TYR CA C 73 57.596 56.293 1.303 1
1 769 . 17 1 1 A 73 73 TYR CB C 73 41.377 41.444 -0.067 1
1 774 . 17 1 1 A 73 73 TYR N N 73 126.553 125.875 0.678 1
1 775 . 17 1 1 A 74 74 THR H H 74 8.981 9.289 -0.308 1
1 776 . 17 1 1 A 74 74 THR HA H 74 4.648 4.661 -0.013 1
1 781 . 17 1 1 A 74 74 THR C C 74 174.296 174.112 0.184 1
1 782 . 17 1 1 A 74 74 THR CA C 74 63.156 62.638 0.518 1
1 783 . 17 1 1 A 74 74 THR CB C 74 68.916 68.684 0.232 1
1 785 . 17 1 1 A 74 74 THR N N 74 118.190 119.355 -1.165 1
1 786 . 17 1 1 A 75 75 VAL H H 75 9.376 9.413 -0.037 1
1 787 . 17 1 1 A 75 75 VAL HA H 75 4.951 4.580 0.371 1
1 795 . 17 1 1 A 75 75 VAL C C 75 173.554 175.243 -1.689 1
1 796 . 17 1 1 A 75 75 VAL CA C 75 61.004 61.928 -0.924 1
1 797 . 17 1 1 A 75 75 VAL CB C 75 34.541 32.503 2.038 1
1 800 . 17 1 1 A 75 75 VAL N N 75 130.973 128.384 2.589 1
1 801 . 17 1 1 A 76 76 ARG H H 76 9.023 8.781 0.242 1
1 802 . 17 1 1 A 76 76 ARG HA H 76 5.218 5.193 0.025 1
1 809 . 17 1 1 A 76 76 ARG C C 76 175.034 174.929 0.105 1
1 810 . 17 1 1 A 76 76 ARG CA C 76 54.501 54.416 0.085 1
1 811 . 17 1 1 A 76 76 ARG CB C 76 32.621 32.136 0.485 1
1 814 . 17 1 1 A 76 76 ARG N N 76 126.030 127.634 -1.604 1
1 815 . 17 1 1 A 77 77 VAL H H 77 9.155 9.132 0.023 1
1 816 . 17 1 1 A 77 77 VAL HA H 77 4.165 4.285 -0.120 1
1 824 . 17 1 1 A 77 77 VAL C C 77 174.967 175.185 -0.218 1
1 825 . 17 1 1 A 77 77 VAL CA C 77 61.626 62.002 -0.376 1
1 826 . 17 1 1 A 77 77 VAL CB C 77 33.367 31.095 2.272 1
1 829 . 17 1 1 A 77 77 VAL N N 77 125.903 125.493 0.410 1
1 830 . 17 1 1 A 78 78 THR H H 78 9.313 9.035 0.278 1
1 831 . 17 1 1 A 78 78 THR HA H 78 5.121 4.889 0.232 1
1 836 . 17 1 1 A 78 78 THR C C 78 173.388 173.599 -0.211 1
1 837 . 17 1 1 A 78 78 THR CA C 78 61.286 61.665 -0.379 1
1 838 . 17 1 1 A 78 78 THR CB C 78 70.432 69.335 1.097 1
1 840 . 17 1 1 A 78 78 THR N N 78 126.547 123.377 3.170 1
1 841 . 17 1 1 A 79 79 CYS H H 79 8.807 8.482 0.325 1
1 842 . 17 1 1 A 79 79 CYS HA H 79 4.410 4.656 -0.246 1
1 845 . 17 1 1 A 79 79 CYS C C 79 172.501 173.688 -1.187 1
1 846 . 17 1 1 A 79 79 CYS CA C 79 58.141 57.022 1.119 1
1 847 . 17 1 1 A 79 79 CYS CB C 79 28.102 27.462 0.640 1
1 848 . 17 1 1 A 79 79 CYS N N 79 125.160 125.738 -0.578 1
1 849 . 17 1 1 A 80 80 LEU H H 80 8.417 8.154 0.263 1
1 850 . 17 1 1 A 80 80 LEU HA H 80 4.377 4.318 0.059 1
1 860 . 17 1 1 A 80 80 LEU C C 80 175.846 175.959 -0.113 1
1 861 . 17 1 1 A 80 80 LEU CA C 80 54.400 54.530 -0.130 1
1 862 . 17 1 1 A 80 80 LEU CB C 80 41.520 41.030 0.490 1
1 866 . 17 1 1 A 80 80 LEU N N 80 123.584 126.235 -2.651 1
1 867 . 17 1 1 A 81 81 TYR H H 81 8.090 8.484 -0.394 1
1 868 . 17 1 1 A 81 81 TYR HA H 81 5.085 4.660 0.425 1
1 875 . 17 1 1 A 81 81 TYR C C 81 175.341 176.241 -0.900 1
1 876 . 17 1 1 A 81 81 TYR CA C 81 55.561 56.971 -1.410 1
1 877 . 17 1 1 A 81 81 TYR CB C 81 36.792 38.913 -2.121 1
1 882 . 17 1 1 A 81 81 TYR N N 81 123.717 125.065 -1.348 1
1 883 . 17 1 1 A 82 82 PRO HA H 82 4.358 4.444 -0.086 1
1 890 . 17 1 1 A 82 82 PRO CA C 82 64.469 65.003 -0.534 1
1 891 . 17 1 1 A 82 82 PRO CB C 82 31.395 31.963 -0.568 1
1 894 . 17 1 1 A 83 83 GLY HA2 H 83 4.164 3.824 0.340 1
1 895 . 17 1 1 A 83 83 GLY HA3 H 83 3.880 3.826 0.054 1
1 896 . 17 1 1 A 83 83 GLY C C 83 174.832 174.524 0.308 1
1 897 . 17 1 1 A 83 83 GLY CA C 83 45.437 46.786 -1.349 1
1 898 . 17 1 1 A 84 84 GLY H H 84 7.641 7.599 0.042 1
1 899 . 17 1 1 A 84 84 GLY HA2 H 84 4.581 4.143 0.438 1
1 900 . 17 1 1 A 84 84 GLY HA3 H 84 3.788 4.172 -0.384 1
1 901 . 17 1 1 A 84 84 GLY C C 84 174.354 173.740 0.614 1
1 902 . 17 1 1 A 84 84 GLY CA C 84 44.801 45.935 -1.134 1
1 903 . 17 1 1 A 84 84 GLY N N 84 107.816 104.332 3.484 1
1 904 . 17 1 1 A 85 85 GLY H H 85 8.303 8.753 -0.450 1
1 905 . 17 1 1 A 85 85 GLY HA2 H 85 4.322 4.097 0.225 1
1 906 . 17 1 1 A 85 85 GLY HA3 H 85 4.113 4.182 -0.069 1
1 907 . 17 1 1 A 85 85 GLY C C 85 172.757 175.161 -2.404 1
1 908 . 17 1 1 A 85 85 GLY CA C 85 44.602 45.242 -0.640 1
1 909 . 17 1 1 A 85 85 GLY N N 85 108.998 111.011 -2.013 1
1 910 . 17 1 1 A 86 86 SER H H 86 8.361 8.224 0.137 1
1 911 . 17 1 1 A 86 86 SER HA H 86 5.024 3.959 1.065 1
1 914 . 17 1 1 A 86 86 SER C C 86 173.484 174.352 -0.868 1
1 915 . 17 1 1 A 86 86 SER CA C 86 57.738 58.516 -0.778 1
1 916 . 17 1 1 A 86 86 SER CB C 86 66.693 63.410 3.283 1
1 917 . 17 1 1 A 86 86 SER N N 86 111.910 116.791 -4.881 1
1 918 . 17 1 1 A 87 87 SER H H 87 8.105 8.560 -0.455 1
1 919 . 17 1 1 A 87 87 SER HA H 87 4.827 5.009 -0.182 1
1 922 . 17 1 1 A 87 87 SER C C 87 173.377 173.435 -0.058 1
1 923 . 17 1 1 A 87 87 SER CA C 87 57.737 57.249 0.488 1
1 924 . 17 1 1 A 87 87 SER CB C 87 65.849 65.455 0.394 1
1 925 . 17 1 1 A 87 87 SER N N 87 112.598 120.903 -8.305 1
1 926 . 17 1 1 A 88 88 THR H H 88 8.778 8.571 0.207 1
1 927 . 17 1 1 A 88 88 THR HA H 88 5.439 4.943 0.496 1
1 932 . 17 1 1 A 88 88 THR C C 88 173.289 173.099 0.190 1
1 933 . 17 1 1 A 88 88 THR CA C 88 62.083 61.602 0.481 1
1 934 . 17 1 1 A 88 88 THR CB C 88 72.001 71.139 0.862 1
1 936 . 17 1 1 A 88 88 THR N N 88 120.383 116.185 4.198 1
1 937 . 17 1 1 A 89 89 LEU H H 89 8.832 9.118 -0.286 1
1 938 . 17 1 1 A 89 89 LEU HA H 89 4.766 4.958 -0.192 1
1 948 . 17 1 1 A 89 89 LEU C C 89 175.440 176.883 -1.443 1
1 949 . 17 1 1 A 89 89 LEU CA C 89 53.671 53.553 0.118 1
1 950 . 17 1 1 A 89 89 LEU CB C 89 45.972 42.334 3.638 1
1 954 . 17 1 1 A 89 89 LEU N N 89 128.653 127.923 0.730 1
1 955 . 17 1 1 A 90 90 THR H H 90 8.576 8.612 -0.036 1
1 956 . 17 1 1 A 90 90 THR HA H 90 5.622 5.039 0.583 1
1 961 . 17 1 1 A 90 90 THR C C 90 174.307 174.303 0.004 1
1 962 . 17 1 1 A 90 90 THR CA C 90 60.799 60.935 -0.136 1
1 963 . 17 1 1 A 90 90 THR CB C 90 71.589 70.309 1.280 1
1 965 . 17 1 1 A 90 90 THR N N 90 115.259 116.936 -1.677 1
1 966 . 17 1 1 A 91 91 GLY H H 91 9.071 9.032 0.039 1
1 967 . 17 1 1 A 91 91 GLY HA2 H 91 4.605 4.358 0.247 1
1 968 . 17 1 1 A 91 91 GLY HA3 H 91 3.960 4.452 -0.492 1
1 969 . 17 1 1 A 91 91 GLY C C 91 170.717 172.031 -1.314 1
1 970 . 17 1 1 A 91 91 GLY CA C 91 45.314 45.186 0.128 1
1 971 . 17 1 1 A 91 91 GLY N N 91 112.300 109.220 3.080 1
1 972 . 17 1 1 A 92 92 ARG H H 92 8.558 8.785 -0.227 1
1 973 . 17 1 1 A 92 92 ARG HA H 92 5.594 4.884 0.710 1
1 980 . 17 1 1 A 92 92 ARG C C 92 173.260 175.004 -1.744 1
1 981 . 17 1 1 A 92 92 ARG CA C 92 54.806 56.266 -1.460 1
1 982 . 17 1 1 A 92 92 ARG CB C 92 34.464 31.347 3.117 1
1 985 . 17 1 1 A 92 92 ARG N N 92 119.774 126.068 -6.294 1
1 986 . 17 1 1 A 93 93 VAL H H 93 8.430 8.518 -0.088 1
1 987 . 17 1 1 A 93 93 VAL HA H 93 4.081 4.589 -0.508 1
1 995 . 17 1 1 A 93 93 VAL C C 93 171.210 173.489 -2.279 1
1 996 . 17 1 1 A 93 93 VAL CA C 93 58.915 59.831 -0.916 1
1 997 . 17 1 1 A 93 93 VAL CB C 93 33.683 34.428 -0.745 1
1 1000 . 17 1 1 A 93 93 VAL N N 93 120.381 120.198 0.183 1
1 1001 . 17 1 1 A 94 94 THR H H 94 8.129 8.826 -0.697 1
1 1002 . 17 1 1 A 94 94 THR HA H 94 5.342 4.788 0.554 1
1 1007 . 17 1 1 A 94 94 THR C C 94 174.637 174.506 0.131 1
1 1008 . 17 1 1 A 94 94 THR CA C 94 60.799 62.194 -1.395 1
1 1009 . 17 1 1 A 94 94 THR CB C 94 70.768 69.314 1.454 1
1 1011 . 17 1 1 A 94 94 THR N N 94 124.645 123.583 1.062 1
1 1012 . 17 1 1 A 95 95 THR H H 95 8.906 8.759 0.147 1
1 1013 . 17 1 1 A 95 95 THR HA H 95 4.115 4.317 -0.202 1
1 1018 . 17 1 1 A 95 95 THR C C 95 175.367 174.430 0.937 1
1 1019 . 17 1 1 A 95 95 THR CA C 95 60.909 62.299 -1.390 1
1 1020 . 17 1 1 A 95 95 THR CB C 95 70.346 69.968 0.378 1
1 1022 . 17 1 1 A 95 95 THR N N 95 116.835 120.684 -3.849 1
1 1023 . 17 1 1 A 96 96 LYS H H 96 7.372 8.699 -1.327 1
1 1024 . 17 1 1 A 96 96 LYS HA H 96 4.189 4.347 -0.158 1
1 1033 . 17 1 1 A 96 96 LYS C C 96 176.308 177.448 -1.140 1
1 1034 . 17 1 1 A 96 96 LYS CA C 96 55.207 56.356 -1.149 1
1 1035 . 17 1 1 A 96 96 LYS CB C 96 34.095 33.375 0.720 1
1 1039 . 17 1 1 A 96 96 LYS N N 96 116.829 122.735 -5.906 1
1 1040 . 17 1 1 A 97 97 LYS H H 97 8.113 8.619 -0.506 1
1 1041 . 17 1 1 A 97 97 LYS HA H 97 4.356 4.390 -0.034 1
1 1050 . 17 1 1 A 97 97 LYS C C 97 176.106 176.691 -0.585 1
1 1051 . 17 1 1 A 97 97 LYS CA C 97 56.260 56.501 -0.241 1
1 1052 . 17 1 1 A 97 97 LYS CB C 97 33.140 32.937 0.203 1
1 1056 . 17 1 1 A 97 97 LYS N N 97 119.233 121.801 -2.568 1
1 1057 . 17 1 1 A 98 98 ALA H H 98 8.484 8.613 -0.129 1
1 1058 . 17 1 1 A 98 98 ALA HA H 98 4.054 3.885 0.169 1
1 1062 . 17 1 1 A 98 98 ALA C C 98 175.754 175.752 0.002 1
1 1063 . 17 1 1 A 98 98 ALA CA C 98 50.511 50.388 0.123 1
1 1064 . 17 1 1 A 98 98 ALA CB C 98 17.093 18.023 -0.930 1
1 1065 . 17 1 1 A 98 98 ALA N N 98 126.424 126.078 0.346 1
1 1066 . 17 1 1 A 99 99 PRO HA H 99 4.313 4.507 -0.194 1
1 1073 . 17 1 1 A 99 99 PRO C C 99 176.506 176.179 0.327 1
1 1074 . 17 1 1 A 99 99 PRO CA C 99 62.584 62.172 0.412 1
1 1075 . 17 1 1 A 99 99 PRO CB C 99 32.024 33.014 -0.990 1
1 1078 . 17 1 1 A 100 100 SER H H 100 8.377 8.435 -0.058 1
1 1079 . 17 1 1 A 100 100 SER HA H 100 4.688 4.765 -0.077 1
1 1082 . 17 1 1 A 100 100 SER CA C 100 56.296 55.704 0.592 1
1 1083 . 17 1 1 A 100 100 SER CB C 100 63.276 63.978 -0.702 1
1 1084 . 17 1 1 A 100 100 SER N N 100 117.700 114.507 3.193 1
1 1086 . 17 1 1 A 103 103 SER HA H 103 4.507 4.767 -0.260 1
1 1089 . 17 1 1 A 103 103 SER CA C 103 58.198 57.083 1.115 1
1 1090 . 17 1 1 A 103 103 SER CB C 103 63.882 63.571 0.311 1
1 1091 . 17 1 1 A 104 104 GLY H H 104 8.233 8.593 -0.360 1
1 1092 . 17 1 1 A 104 104 GLY HA2 H 104 4.124 4.420 -0.296 1
1 1093 . 17 1 1 A 104 104 GLY HA3 H 104 4.124 4.420 -0.296 1
1 1094 . 17 1 1 A 104 104 GLY CA C 104 44.608 45.523 -0.915 1
1 1095 . 17 1 1 A 104 104 GLY N N 104 110.600 114.588 -3.988 1
1 1096 . 17 1 1 A 105 105 PRO HA H 105 4.460 4.648 -0.188 1
1 1103 . 17 1 1 A 105 105 PRO CA C 105 63.264 62.442 0.822 1
1 1104 . 17 1 1 A 105 105 PRO CB C 105 32.094 33.176 -1.082 1
1 1 . 18 1 1 A 6 6 SER HA H 6 4.470 4.469 0.001 1
1 3 . 18 1 1 A 6 6 SER C C 6 175.031 175.094 -0.063 1
1 4 . 18 1 1 A 6 6 SER CA C 6 58.687 59.980 -1.293 1
1 5 . 18 1 1 A 6 6 SER CB C 6 63.635 62.358 1.277 1
1 6 . 18 1 1 A 7 7 GLY H H 7 8.390 8.015 0.375 1
1 7 . 18 1 1 A 7 7 GLY HA2 H 7 3.941 4.111 -0.170 1
1 8 . 18 1 1 A 7 7 GLY HA3 H 7 3.941 4.112 -0.171 1
1 9 . 18 1 1 A 7 7 GLY C C 7 173.892 173.029 0.863 1
1 10 . 18 1 1 A 7 7 GLY CA C 7 45.348 44.580 0.768 1
1 11 . 18 1 1 A 7 7 GLY N N 7 110.659 115.010 -4.351 1
1 12 . 18 1 1 A 8 8 LEU H H 8 8.017 8.321 -0.304 1
1 13 . 18 1 1 A 8 8 LEU HA H 8 4.347 5.080 -0.733 1
1 23 . 18 1 1 A 8 8 LEU C C 8 176.816 175.642 1.174 1
1 24 . 18 1 1 A 8 8 LEU CA C 8 54.760 52.987 1.773 1
1 25 . 18 1 1 A 8 8 LEU CB C 8 42.565 44.974 -2.409 1
1 29 . 18 1 1 A 8 8 LEU N N 8 121.546 121.049 0.497 1
1 30 . 18 1 1 A 9 9 ALA H H 9 8.291 8.839 -0.548 1
1 31 . 18 1 1 A 9 9 ALA HA H 9 4.589 4.852 -0.263 1
1 35 . 18 1 1 A 9 9 ALA C C 9 174.928 174.881 0.047 1
1 36 . 18 1 1 A 9 9 ALA CA C 9 50.381 49.427 0.954 1
1 37 . 18 1 1 A 9 9 ALA CB C 9 18.293 21.371 -3.078 1
1 38 . 18 1 1 A 9 9 ALA N N 9 126.618 123.218 3.400 1
1 39 . 18 1 1 A 10 10 PRO HA H 10 4.708 4.625 0.083 1
1 45 . 18 1 1 A 10 10 PRO CA C 10 61.347 61.698 -0.351 1
1 46 . 18 1 1 A 10 10 PRO CB C 10 30.783 32.175 -1.392 1
1 49 . 18 1 1 A 11 11 PRO HA H 11 4.442 4.333 0.109 1
1 56 . 18 1 1 A 11 11 PRO C C 11 176.585 176.541 0.044 1
1 57 . 18 1 1 A 11 11 PRO CA C 11 63.016 64.980 -1.964 1
1 58 . 18 1 1 A 11 11 PRO CB C 11 32.096 32.208 -0.112 1
1 61 . 18 1 1 A 12 12 ARG H H 12 8.348 7.594 0.754 1
1 62 . 18 1 1 A 12 12 ARG HA H 12 4.405 4.748 -0.343 1
1 69 . 18 1 1 A 12 12 ARG C C 12 175.204 174.381 0.823 1
1 70 . 18 1 1 A 12 12 ARG CA C 12 55.797 53.976 1.821 1
1 71 . 18 1 1 A 12 12 ARG CB C 12 32.052 35.066 -3.014 1
1 74 . 18 1 1 A 12 12 ARG N N 12 120.519 117.517 3.002 1
1 75 . 18 1 1 A 13 13 HIS H H 13 8.296 8.535 -0.239 1
1 76 . 18 1 1 A 13 13 HIS HA H 13 4.815 5.070 -0.255 1
1 81 . 18 1 1 A 13 13 HIS C C 13 174.544 175.046 -0.502 1
1 82 . 18 1 1 A 13 13 HIS CA C 13 55.783 55.369 0.414 1
1 83 . 18 1 1 A 13 13 HIS CB C 13 32.469 32.554 -0.085 1
1 86 . 18 1 1 A 13 13 HIS N N 13 118.569 117.393 1.176 1
1 87 . 18 1 1 A 14 14 LEU H H 14 8.209 8.392 -0.183 1
1 88 . 18 1 1 A 14 14 LEU HA H 14 4.655 5.023 -0.368 1
1 98 . 18 1 1 A 14 14 LEU C C 14 175.977 176.105 -0.128 1
1 99 . 18 1 1 A 14 14 LEU CA C 14 53.935 53.116 0.819 1
1 100 . 18 1 1 A 14 14 LEU CB C 14 44.113 45.038 -0.925 1
1 104 . 18 1 1 A 14 14 LEU N N 14 120.625 121.358 -0.733 1
1 105 . 18 1 1 A 15 15 GLY H H 15 7.988 7.875 0.113 1
1 106 . 18 1 1 A 15 15 GLY HA2 H 15 4.008 3.463 0.545 1
1 107 . 18 1 1 A 15 15 GLY HA3 H 15 2.486 4.037 -1.551 1
1 108 . 18 1 1 A 15 15 GLY C C 15 170.056 171.059 -1.003 1
1 109 . 18 1 1 A 15 15 GLY CA C 15 43.188 43.822 -0.634 1
1 110 . 18 1 1 A 15 15 GLY N N 15 111.142 108.755 2.387 1
1 111 . 18 1 1 A 16 16 PHE H H 16 8.078 8.650 -0.572 1
1 112 . 18 1 1 A 16 16 PHE HA H 16 5.830 5.693 0.137 1
1 120 . 18 1 1 A 16 16 PHE C C 16 175.968 174.259 1.709 1
1 121 . 18 1 1 A 16 16 PHE CA C 16 56.048 55.591 0.457 1
1 122 . 18 1 1 A 16 16 PHE CB C 16 43.353 42.212 1.141 1
1 128 . 18 1 1 A 16 16 PHE N N 16 114.388 120.759 -6.371 1
1 129 . 18 1 1 A 17 17 SER H H 17 9.811 9.077 0.734 1
1 130 . 18 1 1 A 17 17 SER HA H 17 4.883 4.983 -0.100 1
1 133 . 18 1 1 A 17 17 SER C C 17 171.638 173.399 -1.761 1
1 134 . 18 1 1 A 17 17 SER CA C 17 57.073 56.173 0.900 1
1 135 . 18 1 1 A 17 17 SER CB C 17 66.893 66.692 0.201 1
1 136 . 18 1 1 A 17 17 SER N N 17 118.688 117.426 1.262 1
1 137 . 18 1 1 A 18 18 ASP H H 18 9.001 9.075 -0.074 1
1 138 . 18 1 1 A 18 18 ASP HA H 18 4.171 4.272 -0.101 1
1 141 . 18 1 1 A 18 18 ASP C C 18 174.520 175.234 -0.714 1
1 142 . 18 1 1 A 18 18 ASP CA C 18 55.333 54.886 0.447 1
1 143 . 18 1 1 A 18 18 ASP CB C 18 40.075 40.002 0.073 1
1 144 . 18 1 1 A 18 18 ASP N N 18 116.878 124.228 -7.350 1
1 145 . 18 1 1 A 19 19 VAL H H 19 8.202 8.024 0.178 1
1 146 . 18 1 1 A 19 19 VAL HA H 19 4.169 4.088 0.081 1
1 154 . 18 1 1 A 19 19 VAL C C 19 176.641 175.280 1.361 1
1 155 . 18 1 1 A 19 19 VAL CA C 19 63.962 63.465 0.497 1
1 156 . 18 1 1 A 19 19 VAL CB C 19 31.236 32.165 -0.929 1
1 159 . 18 1 1 A 19 19 VAL N N 19 117.253 120.029 -2.776 1
1 160 . 18 1 1 A 20 20 SER H H 20 9.066 9.123 -0.057 1
1 161 . 18 1 1 A 20 20 SER HA H 20 5.061 4.898 0.163 1
1 164 . 18 1 1 A 20 20 SER C C 20 174.081 174.608 -0.527 1
1 165 . 18 1 1 A 20 20 SER CA C 20 55.582 57.318 -1.736 1
1 166 . 18 1 1 A 20 20 SER CB C 20 65.090 67.088 -1.998 1
1 167 . 18 1 1 A 20 20 SER N N 20 126.686 118.967 7.719 1
1 168 . 18 1 1 A 21 21 HIS H H 21 8.635 8.319 0.316 1
1 169 . 18 1 1 A 21 21 HIS HA H 21 4.895 4.745 0.150 1
1 174 . 18 1 1 A 21 21 HIS C C 21 175.242 175.483 -0.241 1
1 175 . 18 1 1 A 21 21 HIS CA C 21 56.934 56.393 0.541 1
1 176 . 18 1 1 A 21 21 HIS CB C 21 30.651 30.149 0.502 1
1 179 . 18 1 1 A 21 21 HIS N N 21 117.241 120.903 -3.662 1
1 180 . 18 1 1 A 22 22 ASP H H 22 7.400 7.567 -0.167 1
1 181 . 18 1 1 A 22 22 ASP HA H 22 4.803 5.008 -0.205 1
1 184 . 18 1 1 A 22 22 ASP C C 22 176.754 174.685 2.069 1
1 185 . 18 1 1 A 22 22 ASP CA C 22 52.316 53.941 -1.625 1
1 186 . 18 1 1 A 22 22 ASP CB C 22 41.697 42.722 -1.025 1
1 187 . 18 1 1 A 22 22 ASP N N 22 115.766 118.046 -2.280 1
1 188 . 18 1 1 A 23 23 ALA H H 23 7.379 7.480 -0.101 1
1 189 . 18 1 1 A 23 23 ALA HA H 23 4.753 4.532 0.221 1
1 193 . 18 1 1 A 23 23 ALA C C 23 174.757 174.797 -0.040 1
1 194 . 18 1 1 A 23 23 ALA CA C 23 51.613 51.580 0.033 1
1 195 . 18 1 1 A 23 23 ALA CB C 23 22.882 22.195 0.687 1
1 196 . 18 1 1 A 23 23 ALA N N 23 122.521 118.704 3.817 1
1 197 . 18 1 1 A 24 24 ALA H H 24 7.745 8.032 -0.287 1
1 198 . 18 1 1 A 24 24 ALA HA H 24 4.593 5.121 -0.528 1
1 202 . 18 1 1 A 24 24 ALA C C 24 173.662 175.307 -1.645 1
1 203 . 18 1 1 A 24 24 ALA CA C 24 52.233 50.911 1.322 1
1 204 . 18 1 1 A 24 24 ALA CB C 24 22.894 22.220 0.674 1
1 205 . 18 1 1 A 24 24 ALA N N 24 115.485 121.342 -5.857 1
1 206 . 18 1 1 A 25 25 ARG H H 25 8.690 8.316 0.374 1
1 207 . 18 1 1 A 25 25 ARG HA H 25 5.209 4.650 0.559 1
1 214 . 18 1 1 A 25 25 ARG C C 25 174.777 175.127 -0.350 1
1 215 . 18 1 1 A 25 25 ARG CA C 25 55.161 56.365 -1.204 1
1 216 . 18 1 1 A 25 25 ARG CB C 25 32.329 30.638 1.691 1
1 219 . 18 1 1 A 25 25 ARG N N 25 122.853 124.370 -1.517 1
1 220 . 18 1 1 A 26 26 VAL H H 26 8.865 9.345 -0.480 1
1 221 . 18 1 1 A 26 26 VAL HA H 26 5.120 4.872 0.248 1
1 229 . 18 1 1 A 26 26 VAL C C 26 172.428 175.123 -2.695 1
1 230 . 18 1 1 A 26 26 VAL CA C 26 57.420 59.928 -2.508 1
1 231 . 18 1 1 A 26 26 VAL CB C 26 34.734 34.262 0.472 1
1 234 . 18 1 1 A 26 26 VAL N N 26 125.534 127.592 -2.058 1
1 235 . 18 1 1 A 27 27 PHE H H 27 8.520 8.736 -0.216 1
1 236 . 18 1 1 A 27 27 PHE HA H 27 5.039 5.024 0.015 1
1 244 . 18 1 1 A 27 27 PHE C C 27 172.979 172.837 0.142 1
1 245 . 18 1 1 A 27 27 PHE CA C 27 56.293 54.994 1.299 1
1 246 . 18 1 1 A 27 27 PHE CB C 27 42.190 41.760 0.430 1
1 252 . 18 1 1 A 27 27 PHE N N 27 123.552 123.744 -0.192 1
1 253 . 18 1 1 A 28 28 TRP H H 28 7.813 8.103 -0.290 1
1 254 . 18 1 1 A 28 28 TRP HA H 28 5.058 5.412 -0.354 1
1 263 . 18 1 1 A 28 28 TRP C C 28 174.131 175.626 -1.495 1
1 264 . 18 1 1 A 28 28 TRP CA C 28 55.730 54.898 0.832 1
1 265 . 18 1 1 A 28 28 TRP CB C 28 30.997 31.805 -0.808 1
1 271 . 18 1 1 A 28 28 TRP N N 28 116.968 117.286 -0.318 1
1 273 . 18 1 1 A 29 29 GLU H H 29 8.362 8.984 -0.622 1
1 274 . 18 1 1 A 29 29 GLU HA H 29 4.356 4.500 -0.144 1
1 279 . 18 1 1 A 29 29 GLU C C 29 177.125 176.854 0.271 1
1 280 . 18 1 1 A 29 29 GLU CA C 29 55.820 56.333 -0.513 1
1 281 . 18 1 1 A 29 29 GLU CB C 29 31.085 30.107 0.978 1
1 283 . 18 1 1 A 29 29 GLU N N 29 119.239 117.784 1.455 1
1 284 . 18 1 1 A 30 30 GLY H H 30 8.729 8.217 0.512 1
1 285 . 18 1 1 A 30 30 GLY HA2 H 30 4.051 4.203 -0.152 1
1 286 . 18 1 1 A 30 30 GLY HA3 H 30 3.781 4.416 -0.635 1
1 287 . 18 1 1 A 30 30 GLY C C 30 173.621 172.740 0.881 1
1 288 . 18 1 1 A 30 30 GLY CA C 30 45.559 44.890 0.669 1
1 289 . 18 1 1 A 30 30 GLY N N 30 110.979 107.753 3.226 1
1 290 . 18 1 1 A 31 31 ALA H H 31 8.747 8.092 0.655 1
1 291 . 18 1 1 A 31 31 ALA HA H 31 4.577 4.991 -0.414 1
1 295 . 18 1 1 A 31 31 ALA C C 31 177.064 177.355 -0.291 1
1 296 . 18 1 1 A 31 31 ALA CA C 31 50.416 49.799 0.617 1
1 297 . 18 1 1 A 31 31 ALA CB C 31 19.221 21.835 -2.614 1
1 298 . 18 1 1 A 31 31 ALA N N 31 126.357 121.040 5.317 1
1 299 . 18 1 1 A 32 32 PRO HA H 32 4.630 4.493 0.137 1
1 306 . 18 1 1 A 32 32 PRO C C 32 175.001 175.286 -0.285 1
1 307 . 18 1 1 A 32 32 PRO CA C 32 63.368 64.049 -0.681 1
1 308 . 18 1 1 A 32 32 PRO CB C 32 30.738 31.826 -1.088 1
1 311 . 18 1 1 A 33 33 ARG H H 33 7.418 7.375 0.043 1
1 312 . 18 1 1 A 33 33 ARG HA H 33 4.746 4.882 -0.136 1
1 319 . 18 1 1 A 33 33 ARG C C 33 172.695 173.886 -1.191 1
1 320 . 18 1 1 A 33 33 ARG CA C 33 53.205 53.171 0.034 1
1 321 . 18 1 1 A 33 33 ARG CB C 33 30.414 32.583 -2.169 1
1 324 . 18 1 1 A 33 33 ARG N N 33 117.994 113.960 4.034 1
1 325 . 18 1 1 A 34 34 PRO HA H 34 4.273 4.760 -0.487 1
1 332 . 18 1 1 A 34 34 PRO C C 34 175.342 176.107 -0.765 1
1 333 . 18 1 1 A 34 34 PRO CA C 34 64.037 62.662 1.375 1
1 334 . 18 1 1 A 34 34 PRO CB C 34 32.581 32.713 -0.132 1
1 337 . 18 1 1 A 35 35 VAL H H 35 8.264 8.665 -0.401 1
1 338 . 18 1 1 A 35 35 VAL HA H 35 4.237 4.863 -0.626 1
1 346 . 18 1 1 A 35 35 VAL C C 35 175.771 176.104 -0.333 1
1 347 . 18 1 1 A 35 35 VAL CA C 35 61.890 60.585 1.305 1
1 348 . 18 1 1 A 35 35 VAL CB C 35 35.092 35.905 -0.813 1
1 351 . 18 1 1 A 35 35 VAL N N 35 122.377 121.899 0.478 1
1 352 . 18 1 1 A 36 36 ARG H H 36 9.278 8.252 1.026 1
1 353 . 18 1 1 A 36 36 ARG HA H 36 4.426 4.374 0.052 1
1 360 . 18 1 1 A 36 36 ARG C C 36 175.620 175.925 -0.305 1
1 361 . 18 1 1 A 36 36 ARG CA C 36 57.672 57.434 0.238 1
1 362 . 18 1 1 A 36 36 ARG CB C 36 31.595 30.887 0.708 1
1 365 . 18 1 1 A 36 36 ARG N N 36 125.821 123.247 2.574 1
1 366 . 18 1 1 A 37 37 LEU H H 37 7.525 7.170 0.355 1
1 367 . 18 1 1 A 37 37 LEU HA H 37 4.403 4.841 -0.438 1
1 377 . 18 1 1 A 37 37 LEU C C 37 172.405 174.196 -1.791 1
1 378 . 18 1 1 A 37 37 LEU CA C 37 54.913 54.188 0.725 1
1 379 . 18 1 1 A 37 37 LEU CB C 37 46.166 45.956 0.210 1
1 383 . 18 1 1 A 37 37 LEU N N 37 119.761 119.236 0.525 1
1 384 . 18 1 1 A 38 38 VAL H H 38 8.513 8.998 -0.485 1
1 385 . 18 1 1 A 38 38 VAL HA H 38 4.790 4.611 0.179 1
1 393 . 18 1 1 A 38 38 VAL C C 38 174.595 174.920 -0.325 1
1 394 . 18 1 1 A 38 38 VAL CA C 38 60.992 61.201 -0.209 1
1 395 . 18 1 1 A 38 38 VAL CB C 38 33.979 34.560 -0.581 1
1 398 . 18 1 1 A 38 38 VAL N N 38 123.604 125.235 -1.631 1
1 399 . 18 1 1 A 39 39 ARG H H 39 9.025 8.876 0.149 1
1 400 . 18 1 1 A 39 39 ARG HA H 39 4.839 4.897 -0.058 1
1 407 . 18 1 1 A 39 39 ARG C C 39 174.581 175.345 -0.764 1
1 408 . 18 1 1 A 39 39 ARG CA C 39 55.150 55.211 -0.061 1
1 409 . 18 1 1 A 39 39 ARG CB C 39 32.919 32.502 0.417 1
1 412 . 18 1 1 A 39 39 ARG N N 39 126.442 127.209 -0.767 1
1 413 . 18 1 1 A 40 40 VAL H H 40 9.059 8.836 0.223 1
1 414 . 18 1 1 A 40 40 VAL HA H 40 5.177 5.093 0.084 1
1 422 . 18 1 1 A 40 40 VAL C C 40 175.508 174.871 0.637 1
1 423 . 18 1 1 A 40 40 VAL CA C 40 60.513 61.013 -0.500 1
1 424 . 18 1 1 A 40 40 VAL CB C 40 33.390 34.931 -1.541 1
1 427 . 18 1 1 A 40 40 VAL N N 40 127.219 122.876 4.343 1
1 428 . 18 1 1 A 41 41 THR H H 41 9.244 8.868 0.376 1
1 429 . 18 1 1 A 41 41 THR HA H 41 5.056 5.683 -0.627 1
1 434 . 18 1 1 A 41 41 THR C C 41 173.323 173.734 -0.411 1
1 435 . 18 1 1 A 41 41 THR CA C 41 59.618 60.636 -1.018 1
1 436 . 18 1 1 A 41 41 THR CB C 41 71.668 70.885 0.783 1
1 438 . 18 1 1 A 41 41 THR N N 41 117.579 120.069 -2.490 1
1 439 . 18 1 1 A 42 42 TYR H H 42 7.955 8.572 -0.617 1
1 440 . 18 1 1 A 42 42 TYR HA H 42 5.825 6.222 -0.397 1
1 447 . 18 1 1 A 42 42 TYR C C 42 173.794 173.602 0.192 1
1 448 . 18 1 1 A 42 42 TYR CA C 42 54.314 55.230 -0.916 1
1 449 . 18 1 1 A 42 42 TYR CB C 42 39.788 42.279 -2.491 1
1 454 . 18 1 1 A 42 42 TYR N N 42 117.304 120.365 -3.061 1
1 455 . 18 1 1 A 43 43 VAL H H 43 8.547 8.720 -0.173 1
1 456 . 18 1 1 A 43 43 VAL HA H 43 5.069 4.684 0.385 1
1 464 . 18 1 1 A 43 43 VAL C C 43 174.912 173.149 1.763 1
1 465 . 18 1 1 A 43 43 VAL CA C 43 60.142 60.322 -0.180 1
1 466 . 18 1 1 A 43 43 VAL CB C 43 35.329 35.824 -0.495 1
1 469 . 18 1 1 A 43 43 VAL N N 43 119.038 121.568 -2.530 1
1 470 . 18 1 1 A 44 44 SER H H 44 9.123 8.437 0.686 1
1 471 . 18 1 1 A 44 44 SER HA H 44 4.307 3.923 0.384 1
1 474 . 18 1 1 A 44 44 SER C C 44 176.777 175.158 1.619 1
1 475 . 18 1 1 A 44 44 SER CA C 44 57.838 57.952 -0.114 1
1 476 . 18 1 1 A 44 44 SER CB C 44 64.064 63.714 0.350 1
1 477 . 18 1 1 A 44 44 SER N N 44 124.942 121.836 3.106 1
1 478 . 18 1 1 A 45 45 SER H H 45 8.562 8.331 0.231 1
1 479 . 18 1 1 A 45 45 SER HA H 45 4.175 4.074 0.101 1
1 482 . 18 1 1 A 45 45 SER C C 45 175.366 174.361 1.005 1
1 483 . 18 1 1 A 45 45 SER CA C 45 61.239 61.756 -0.517 1
1 484 . 18 1 1 A 45 45 SER CB C 45 62.976 63.372 -0.396 1
1 485 . 18 1 1 A 45 45 SER N N 45 119.157 120.723 -1.566 1
1 486 . 18 1 1 A 46 46 GLU H H 46 8.321 8.072 0.249 1
1 487 . 18 1 1 A 46 46 GLU HA H 46 4.442 4.511 -0.069 1
1 492 . 18 1 1 A 46 46 GLU C C 46 177.463 176.200 1.263 1
1 493 . 18 1 1 A 46 46 GLU CA C 46 56.409 55.701 0.708 1
1 494 . 18 1 1 A 46 46 GLU CB C 46 29.633 30.363 -0.730 1
1 496 . 18 1 1 A 46 46 GLU N N 46 119.112 116.486 2.626 1
1 497 . 18 1 1 A 47 47 GLY H H 47 8.129 8.482 -0.353 1
1 498 . 18 1 1 A 47 47 GLY HA2 H 47 4.150 3.874 0.276 1
1 499 . 18 1 1 A 47 47 GLY HA3 H 47 3.646 3.885 -0.239 1
1 500 . 18 1 1 A 47 47 GLY C C 47 175.047 174.636 0.411 1
1 501 . 18 1 1 A 47 47 GLY CA C 47 45.400 46.952 -1.552 1
1 502 . 18 1 1 A 47 47 GLY N N 47 109.344 108.750 0.594 1
1 503 . 18 1 1 A 48 48 GLY H H 48 7.927 8.288 -0.361 1
1 504 . 18 1 1 A 48 48 GLY HA2 H 48 3.982 4.062 -0.080 1
1 505 . 18 1 1 A 48 48 GLY HA3 H 48 3.855 4.069 -0.214 1
1 506 . 18 1 1 A 48 48 GLY C C 48 173.614 173.611 0.003 1
1 507 . 18 1 1 A 48 48 GLY CA C 48 46.073 46.147 -0.074 1
1 508 . 18 1 1 A 48 48 GLY N N 48 107.840 112.533 -4.693 1
1 509 . 18 1 1 A 49 49 HIS H H 49 7.985 8.105 -0.120 1
1 510 . 18 1 1 A 49 49 HIS HA H 49 4.951 4.926 0.025 1
1 515 . 18 1 1 A 49 49 HIS C C 49 173.760 173.432 0.328 1
1 516 . 18 1 1 A 49 49 HIS CA C 49 56.608 54.542 2.066 1
1 517 . 18 1 1 A 49 49 HIS CB C 49 33.119 32.735 0.384 1
1 520 . 18 1 1 A 49 49 HIS N N 49 120.577 119.097 1.480 1
1 521 . 18 1 1 A 50 50 SER H H 50 8.118 8.813 -0.695 1
1 522 . 18 1 1 A 50 50 SER HA H 50 5.184 4.610 0.574 1
1 525 . 18 1 1 A 50 50 SER C C 50 172.582 172.928 -0.346 1
1 526 . 18 1 1 A 50 50 SER CA C 50 56.463 56.600 -0.137 1
1 527 . 18 1 1 A 50 50 SER CB C 50 66.423 66.424 -0.001 1
1 528 . 18 1 1 A 50 50 SER N N 50 120.879 120.761 0.118 1
1 529 . 18 1 1 A 51 51 GLY H H 51 7.900 8.032 -0.132 1
1 530 . 18 1 1 A 51 51 GLY HA2 H 51 4.027 3.724 0.303 1
1 531 . 18 1 1 A 51 51 GLY HA3 H 51 3.236 4.182 -0.946 1
1 532 . 18 1 1 A 51 51 GLY C C 51 171.073 171.916 -0.843 1
1 533 . 18 1 1 A 51 51 GLY CA C 51 44.696 44.902 -0.206 1
1 534 . 18 1 1 A 51 51 GLY N N 51 108.215 106.361 1.854 1
1 535 . 18 1 1 A 52 52 GLN H H 52 8.256 8.596 -0.340 1
1 536 . 18 1 1 A 52 52 GLN HA H 52 5.308 5.371 -0.063 1
1 543 . 18 1 1 A 52 52 GLN C C 52 174.217 173.464 0.753 1
1 544 . 18 1 1 A 52 52 GLN CA C 52 54.516 55.119 -0.603 1
1 545 . 18 1 1 A 52 52 GLN CB C 52 32.541 32.088 0.453 1
1 547 . 18 1 1 A 52 52 GLN N N 52 115.667 119.381 -3.714 1
1 549 . 18 1 1 A 53 53 THR H H 53 9.298 9.391 -0.093 1
1 550 . 18 1 1 A 53 53 THR HA H 53 4.753 5.166 -0.413 1
1 555 . 18 1 1 A 53 53 THR C C 53 171.720 172.768 -1.048 1
1 556 . 18 1 1 A 53 53 THR CA C 53 60.869 60.324 0.545 1
1 557 . 18 1 1 A 53 53 THR CB C 53 70.580 71.557 -0.977 1
1 559 . 18 1 1 A 53 53 THR N N 53 117.486 121.253 -3.767 1
1 560 . 18 1 1 A 54 54 GLU H H 54 8.404 8.877 -0.473 1
1 561 . 18 1 1 A 54 54 GLU HA H 54 5.378 5.145 0.233 1
1 566 . 18 1 1 A 54 54 GLU C C 54 174.705 175.763 -1.058 1
1 567 . 18 1 1 A 54 54 GLU CA C 54 54.693 55.149 -0.456 1
1 568 . 18 1 1 A 54 54 GLU CB C 54 33.434 32.610 0.824 1
1 570 . 18 1 1 A 54 54 GLU N N 54 123.651 126.843 -3.192 1
1 571 . 18 1 1 A 55 55 ALA H H 55 9.471 8.840 0.631 1
1 572 . 18 1 1 A 55 55 ALA HA H 55 5.056 4.991 0.065 1
1 576 . 18 1 1 A 55 55 ALA C C 55 172.938 174.156 -1.218 1
1 577 . 18 1 1 A 55 55 ALA CA C 55 49.216 49.930 -0.714 1
1 578 . 18 1 1 A 55 55 ALA CB C 55 20.410 22.416 -2.006 1
1 579 . 18 1 1 A 55 55 ALA N N 55 126.815 123.354 3.461 1
1 580 . 18 1 1 A 56 56 PRO HA H 56 4.630 4.709 -0.079 1
1 587 . 18 1 1 A 56 56 PRO C C 56 176.935 178.311 -1.376 1
1 588 . 18 1 1 A 56 56 PRO CA C 56 62.303 62.944 -0.641 1
1 589 . 18 1 1 A 56 56 PRO CB C 56 32.745 32.541 0.204 1
1 592 . 18 1 1 A 57 57 GLY H H 57 8.240 8.341 -0.101 1
1 593 . 18 1 1 A 57 57 GLY HA2 H 57 3.839 3.883 -0.044 1
1 594 . 18 1 1 A 57 57 GLY HA3 H 57 3.547 3.895 -0.348 1
1 595 . 18 1 1 A 57 57 GLY C C 57 173.839 175.020 -1.181 1
1 596 . 18 1 1 A 57 57 GLY CA C 57 47.092 46.898 0.194 1
1 597 . 18 1 1 A 57 57 GLY N N 57 104.338 111.166 -6.828 1
1 598 . 18 1 1 A 58 58 ASN H H 58 7.935 8.011 -0.076 1
1 599 . 18 1 1 A 58 58 ASN HA H 58 4.778 4.827 -0.049 1
1 604 . 18 1 1 A 58 58 ASN C C 58 175.578 176.070 -0.492 1
1 605 . 18 1 1 A 58 58 ASN CA C 58 52.176 54.627 -2.451 1
1 606 . 18 1 1 A 58 58 ASN CB C 58 37.384 39.056 -1.672 1
1 607 . 18 1 1 A 58 58 ASN N N 58 114.653 116.925 -2.272 1
1 609 . 18 1 1 A 59 59 ALA H H 59 8.041 7.721 0.320 1
1 610 . 18 1 1 A 59 59 ALA HA H 59 4.360 4.179 0.181 1
1 614 . 18 1 1 A 59 59 ALA C C 59 177.738 178.264 -0.526 1
1 615 . 18 1 1 A 59 59 ALA CA C 59 52.792 52.928 -0.136 1
1 616 . 18 1 1 A 59 59 ALA CB C 59 20.834 19.112 1.722 1
1 617 . 18 1 1 A 59 59 ALA N N 59 124.183 121.620 2.563 1
1 618 . 18 1 1 A 60 60 THR H H 60 8.274 8.716 -0.442 1
1 619 . 18 1 1 A 60 60 THR HA H 60 3.299 4.122 -0.823 1
1 624 . 18 1 1 A 60 60 THR C C 60 171.681 172.864 -1.183 1
1 625 . 18 1 1 A 60 60 THR CA C 60 59.732 61.160 -1.428 1
1 626 . 18 1 1 A 60 60 THR CB C 60 69.010 68.968 0.042 1
1 628 . 18 1 1 A 60 60 THR N N 60 108.095 113.663 -5.568 1
1 629 . 18 1 1 A 61 61 SER H H 61 6.728 7.576 -0.848 1
1 630 . 18 1 1 A 61 61 SER HA H 61 4.584 4.492 0.092 1
1 633 . 18 1 1 A 61 61 SER C C 61 172.948 172.701 0.247 1
1 634 . 18 1 1 A 61 61 SER CA C 61 57.403 57.040 0.363 1
1 635 . 18 1 1 A 61 61 SER CB C 61 65.767 65.897 -0.130 1
1 636 . 18 1 1 A 61 61 SER N N 61 110.991 114.041 -3.050 1
1 637 . 18 1 1 A 62 62 ALA H H 62 8.954 8.399 0.555 1
1 638 . 18 1 1 A 62 62 ALA HA H 62 4.581 4.989 -0.408 1
1 642 . 18 1 1 A 62 62 ALA C C 62 174.741 175.883 -1.142 1
1 643 . 18 1 1 A 62 62 ALA CA C 62 51.949 51.477 0.472 1
1 644 . 18 1 1 A 62 62 ALA CB C 62 21.659 23.726 -2.067 1
1 645 . 18 1 1 A 62 62 ALA N N 62 119.306 122.094 -2.788 1
1 646 . 18 1 1 A 63 63 MET H H 63 8.599 9.229 -0.630 1
1 647 . 18 1 1 A 63 63 MET HA H 63 4.993 5.491 -0.498 1
1 655 . 18 1 1 A 63 63 MET C C 63 175.386 175.155 0.231 1
1 656 . 18 1 1 A 63 63 MET CA C 63 53.760 53.145 0.615 1
1 657 . 18 1 1 A 63 63 MET CB C 63 31.842 35.782 -3.940 1
1 660 . 18 1 1 A 63 63 MET N N 63 120.537 118.478 2.059 1
1 661 . 18 1 1 A 64 64 LEU H H 64 9.244 8.386 0.858 1
1 662 . 18 1 1 A 64 64 LEU HA H 64 4.494 4.966 -0.472 1
1 672 . 18 1 1 A 64 64 LEU C C 64 175.976 175.728 0.248 1
1 673 . 18 1 1 A 64 64 LEU CA C 64 52.988 52.916 0.072 1
1 674 . 18 1 1 A 64 64 LEU CB C 64 42.785 45.163 -2.378 1
1 678 . 18 1 1 A 64 64 LEU N N 64 124.823 120.369 4.454 1
1 679 . 18 1 1 A 65 65 GLY H H 65 7.516 8.102 -0.586 1
1 680 . 18 1 1 A 65 65 GLY HA2 H 65 4.505 4.059 0.446 1
1 681 . 18 1 1 A 65 65 GLY HA3 H 65 3.237 4.063 -0.826 1
1 682 . 18 1 1 A 65 65 GLY C C 65 170.608 171.933 -1.325 1
1 683 . 18 1 1 A 65 65 GLY CA C 65 44.505 44.639 -0.134 1
1 684 . 18 1 1 A 65 65 GLY N N 65 106.855 108.348 -1.493 1
1 685 . 18 1 1 A 66 66 PRO HA H 66 4.626 5.010 -0.384 1
1 692 . 18 1 1 A 66 66 PRO C C 66 176.262 176.036 0.226 1
1 693 . 18 1 1 A 66 66 PRO CA C 66 62.542 62.812 -0.270 1
1 694 . 18 1 1 A 66 66 PRO CB C 66 34.107 32.353 1.754 1
1 697 . 18 1 1 A 67 67 LEU H H 67 8.487 8.879 -0.392 1
1 698 . 18 1 1 A 67 67 LEU HA H 67 4.586 4.973 -0.387 1
1 708 . 18 1 1 A 67 67 LEU C C 67 176.158 176.839 -0.681 1
1 709 . 18 1 1 A 67 67 LEU CA C 67 52.335 53.177 -0.842 1
1 710 . 18 1 1 A 67 67 LEU CB C 67 43.440 44.356 -0.916 1
1 714 . 18 1 1 A 67 67 LEU N N 67 124.582 122.175 2.407 1
1 715 . 18 1 1 A 68 68 SER H H 68 8.958 9.335 -0.377 1
1 716 . 18 1 1 A 68 68 SER HA H 68 4.529 4.963 -0.434 1
1 719 . 18 1 1 A 68 68 SER C C 68 174.360 174.772 -0.412 1
1 720 . 18 1 1 A 68 68 SER CA C 68 58.649 57.946 0.703 1
1 721 . 18 1 1 A 68 68 SER CB C 68 64.239 65.980 -1.741 1
1 722 . 18 1 1 A 68 68 SER N N 68 117.670 115.326 2.344 1
1 723 . 18 1 1 A 69 69 SER H H 69 8.511 8.747 -0.236 1
1 724 . 18 1 1 A 69 69 SER HA H 69 5.085 5.347 -0.262 1
1 727 . 18 1 1 A 69 69 SER C C 69 175.660 174.027 1.633 1
1 728 . 18 1 1 A 69 69 SER CA C 69 59.071 56.380 2.691 1
1 729 . 18 1 1 A 69 69 SER CB C 69 64.439 65.780 -1.341 1
1 730 . 18 1 1 A 69 69 SER N N 69 119.760 114.747 5.013 1
1 731 . 18 1 1 A 70 70 SER H H 70 7.974 8.996 -1.022 1
1 732 . 18 1 1 A 70 70 SER HA H 70 3.799 4.266 -0.467 1
1 735 . 18 1 1 A 70 70 SER C C 70 173.645 173.025 0.620 1
1 736 . 18 1 1 A 70 70 SER CA C 70 58.453 59.143 -0.690 1
1 737 . 18 1 1 A 70 70 SER CB C 70 62.477 61.880 0.597 1
1 738 . 18 1 1 A 70 70 SER N N 70 121.170 116.235 4.935 1
1 739 . 18 1 1 A 71 71 THR H H 71 8.325 7.708 0.617 1
1 740 . 18 1 1 A 71 71 THR HA H 71 4.482 4.634 -0.152 1
1 745 . 18 1 1 A 71 71 THR C C 71 171.950 173.494 -1.544 1
1 746 . 18 1 1 A 71 71 THR CA C 71 62.453 61.595 0.858 1
1 747 . 18 1 1 A 71 71 THR CB C 71 72.120 71.016 1.104 1
1 749 . 18 1 1 A 71 71 THR N N 71 115.265 114.949 0.316 1
1 750 . 18 1 1 A 72 72 THR H H 72 8.963 8.792 0.171 1
1 751 . 18 1 1 A 72 72 THR HA H 72 5.044 4.394 0.650 1
1 756 . 18 1 1 A 72 72 THR C C 72 173.198 173.681 -0.483 1
1 757 . 18 1 1 A 72 72 THR CA C 72 62.216 63.220 -1.004 1
1 758 . 18 1 1 A 72 72 THR CB C 72 69.392 68.683 0.709 1
1 760 . 18 1 1 A 72 72 THR N N 72 124.221 121.651 2.570 1
1 761 . 18 1 1 A 73 73 TYR H H 73 9.711 9.348 0.363 1
1 762 . 18 1 1 A 73 73 TYR HA H 73 4.852 5.412 -0.560 1
1 767 . 18 1 1 A 73 73 TYR C C 73 175.854 174.955 0.899 1
1 768 . 18 1 1 A 73 73 TYR CA C 73 57.596 56.550 1.046 1
1 769 . 18 1 1 A 73 73 TYR CB C 73 41.377 40.858 0.519 1
1 774 . 18 1 1 A 73 73 TYR N N 73 126.553 126.793 -0.240 1
1 775 . 18 1 1 A 74 74 THR H H 74 8.981 9.303 -0.322 1
1 776 . 18 1 1 A 74 74 THR HA H 74 4.648 4.884 -0.236 1
1 781 . 18 1 1 A 74 74 THR C C 74 174.296 174.131 0.165 1
1 782 . 18 1 1 A 74 74 THR CA C 74 63.156 62.222 0.934 1
1 783 . 18 1 1 A 74 74 THR CB C 74 68.916 68.871 0.045 1
1 785 . 18 1 1 A 74 74 THR N N 74 118.190 119.674 -1.484 1
1 786 . 18 1 1 A 75 75 VAL H H 75 9.376 9.301 0.075 1
1 787 . 18 1 1 A 75 75 VAL HA H 75 4.951 4.671 0.280 1
1 795 . 18 1 1 A 75 75 VAL C C 75 173.554 174.737 -1.183 1
1 796 . 18 1 1 A 75 75 VAL CA C 75 61.004 61.703 -0.699 1
1 797 . 18 1 1 A 75 75 VAL CB C 75 34.541 33.316 1.225 1
1 800 . 18 1 1 A 75 75 VAL N N 75 130.973 128.501 2.472 1
1 801 . 18 1 1 A 76 76 ARG H H 76 9.023 8.834 0.189 1
1 802 . 18 1 1 A 76 76 ARG HA H 76 5.218 5.062 0.156 1
1 809 . 18 1 1 A 76 76 ARG C C 76 175.034 174.466 0.568 1
1 810 . 18 1 1 A 76 76 ARG CA C 76 54.501 55.017 -0.516 1
1 811 . 18 1 1 A 76 76 ARG CB C 76 32.621 33.168 -0.547 1
1 814 . 18 1 1 A 76 76 ARG N N 76 126.030 128.239 -2.209 1
1 815 . 18 1 1 A 77 77 VAL H H 77 9.155 9.002 0.153 1
1 816 . 18 1 1 A 77 77 VAL HA H 77 4.165 4.263 -0.098 1
1 824 . 18 1 1 A 77 77 VAL C C 77 174.967 175.137 -0.170 1
1 825 . 18 1 1 A 77 77 VAL CA C 77 61.626 62.294 -0.668 1
1 826 . 18 1 1 A 77 77 VAL CB C 77 33.367 30.877 2.490 1
1 829 . 18 1 1 A 77 77 VAL N N 77 125.903 126.456 -0.553 1
1 830 . 18 1 1 A 78 78 THR H H 78 9.313 9.327 -0.014 1
1 831 . 18 1 1 A 78 78 THR HA H 78 5.121 5.147 -0.026 1
1 836 . 18 1 1 A 78 78 THR C C 78 173.388 173.727 -0.339 1
1 837 . 18 1 1 A 78 78 THR CA C 78 61.286 61.594 -0.308 1
1 838 . 18 1 1 A 78 78 THR CB C 78 70.432 69.793 0.639 1
1 840 . 18 1 1 A 78 78 THR N N 78 126.547 123.516 3.031 1
1 841 . 18 1 1 A 79 79 CYS H H 79 8.807 8.812 -0.005 1
1 842 . 18 1 1 A 79 79 CYS HA H 79 4.410 4.799 -0.389 1
1 845 . 18 1 1 A 79 79 CYS C C 79 172.501 173.375 -0.874 1
1 846 . 18 1 1 A 79 79 CYS CA C 79 58.141 56.834 1.307 1
1 847 . 18 1 1 A 79 79 CYS CB C 79 28.102 28.128 -0.026 1
1 848 . 18 1 1 A 79 79 CYS N N 79 125.160 125.952 -0.792 1
1 849 . 18 1 1 A 80 80 LEU H H 80 8.417 8.498 -0.081 1
1 850 . 18 1 1 A 80 80 LEU HA H 80 4.377 4.553 -0.176 1
1 860 . 18 1 1 A 80 80 LEU C C 80 175.846 175.642 0.204 1
1 861 . 18 1 1 A 80 80 LEU CA C 80 54.400 53.733 0.667 1
1 862 . 18 1 1 A 80 80 LEU CB C 80 41.520 41.782 -0.262 1
1 866 . 18 1 1 A 80 80 LEU N N 80 123.584 126.448 -2.864 1
1 867 . 18 1 1 A 81 81 TYR H H 81 8.090 8.181 -0.091 1
1 868 . 18 1 1 A 81 81 TYR HA H 81 5.085 4.624 0.461 1
1 875 . 18 1 1 A 81 81 TYR C C 81 175.341 176.066 -0.725 1
1 876 . 18 1 1 A 81 81 TYR CA C 81 55.561 57.108 -1.547 1
1 877 . 18 1 1 A 81 81 TYR CB C 81 36.792 38.864 -2.072 1
1 882 . 18 1 1 A 81 81 TYR N N 81 123.717 124.977 -1.260 1
1 883 . 18 1 1 A 82 82 PRO HA H 82 4.358 4.440 -0.082 1
1 890 . 18 1 1 A 82 82 PRO CA C 82 64.469 64.038 0.431 1
1 891 . 18 1 1 A 82 82 PRO CB C 82 31.395 32.006 -0.611 1
1 894 . 18 1 1 A 83 83 GLY HA2 H 83 4.164 4.101 0.063 1
1 895 . 18 1 1 A 83 83 GLY HA3 H 83 3.880 4.111 -0.231 1
1 896 . 18 1 1 A 83 83 GLY C C 83 174.832 173.474 1.358 1
1 897 . 18 1 1 A 83 83 GLY CA C 83 45.437 45.619 -0.182 1
1 898 . 18 1 1 A 84 84 GLY H H 84 7.641 8.405 -0.764 1
1 899 . 18 1 1 A 84 84 GLY HA2 H 84 4.581 4.131 0.450 1
1 900 . 18 1 1 A 84 84 GLY HA3 H 84 3.788 4.131 -0.343 1
1 901 . 18 1 1 A 84 84 GLY C C 84 174.354 173.378 0.976 1
1 902 . 18 1 1 A 84 84 GLY CA C 84 44.801 45.302 -0.501 1
1 903 . 18 1 1 A 84 84 GLY N N 84 107.816 111.863 -4.047 1
1 904 . 18 1 1 A 85 85 GLY H H 85 8.303 8.400 -0.097 1
1 905 . 18 1 1 A 85 85 GLY HA2 H 85 4.322 4.337 -0.015 1
1 906 . 18 1 1 A 85 85 GLY HA3 H 85 4.113 4.361 -0.248 1
1 907 . 18 1 1 A 85 85 GLY C C 85 172.757 172.289 0.468 1
1 908 . 18 1 1 A 85 85 GLY CA C 85 44.602 45.895 -1.293 1
1 909 . 18 1 1 A 85 85 GLY N N 85 108.998 110.005 -1.007 1
1 910 . 18 1 1 A 86 86 SER H H 86 8.361 8.743 -0.382 1
1 911 . 18 1 1 A 86 86 SER HA H 86 5.024 5.085 -0.061 1
1 914 . 18 1 1 A 86 86 SER C C 86 173.484 172.404 1.080 1
1 915 . 18 1 1 A 86 86 SER CA C 86 57.738 57.364 0.374 1
1 916 . 18 1 1 A 86 86 SER CB C 86 66.693 65.376 1.317 1
1 917 . 18 1 1 A 86 86 SER N N 86 111.910 116.463 -4.553 1
1 918 . 18 1 1 A 87 87 SER H H 87 8.105 8.068 0.037 1
1 919 . 18 1 1 A 87 87 SER HA H 87 4.827 5.383 -0.556 1
1 922 . 18 1 1 A 87 87 SER C C 87 173.377 173.304 0.073 1
1 923 . 18 1 1 A 87 87 SER CA C 87 57.737 57.168 0.569 1
1 924 . 18 1 1 A 87 87 SER CB C 87 65.849 65.698 0.151 1
1 925 . 18 1 1 A 87 87 SER N N 87 112.598 118.595 -5.997 1
1 926 . 18 1 1 A 88 88 THR H H 88 8.778 9.033 -0.255 1
1 927 . 18 1 1 A 88 88 THR HA H 88 5.439 5.071 0.368 1
1 932 . 18 1 1 A 88 88 THR C C 88 173.289 173.263 0.026 1
1 933 . 18 1 1 A 88 88 THR CA C 88 62.083 61.885 0.198 1
1 934 . 18 1 1 A 88 88 THR CB C 88 72.001 70.329 1.672 1
1 936 . 18 1 1 A 88 88 THR N N 88 120.383 119.864 0.519 1
1 937 . 18 1 1 A 89 89 LEU H H 89 8.832 9.394 -0.562 1
1 938 . 18 1 1 A 89 89 LEU HA H 89 4.766 4.838 -0.072 1
1 948 . 18 1 1 A 89 89 LEU C C 89 175.440 175.877 -0.437 1
1 949 . 18 1 1 A 89 89 LEU CA C 89 53.671 53.703 -0.032 1
1 950 . 18 1 1 A 89 89 LEU CB C 89 45.972 42.998 2.974 1
1 954 . 18 1 1 A 89 89 LEU N N 89 128.653 128.071 0.582 1
1 955 . 18 1 1 A 90 90 THR H H 90 8.576 8.806 -0.230 1
1 956 . 18 1 1 A 90 90 THR HA H 90 5.622 5.087 0.535 1
1 961 . 18 1 1 A 90 90 THR C C 90 174.307 174.506 -0.199 1
1 962 . 18 1 1 A 90 90 THR CA C 90 60.799 60.916 -0.117 1
1 963 . 18 1 1 A 90 90 THR CB C 90 71.589 69.966 1.623 1
1 965 . 18 1 1 A 90 90 THR N N 90 115.259 117.246 -1.987 1
1 966 . 18 1 1 A 91 91 GLY H H 91 9.071 9.047 0.024 1
1 967 . 18 1 1 A 91 91 GLY HA2 H 91 4.605 4.508 0.097 1
1 968 . 18 1 1 A 91 91 GLY HA3 H 91 3.960 4.623 -0.663 1
1 969 . 18 1 1 A 91 91 GLY C C 91 170.717 171.858 -1.141 1
1 970 . 18 1 1 A 91 91 GLY CA C 91 45.314 44.958 0.356 1
1 971 . 18 1 1 A 91 91 GLY N N 91 112.300 110.522 1.778 1
1 972 . 18 1 1 A 92 92 ARG H H 92 8.558 8.953 -0.395 1
1 973 . 18 1 1 A 92 92 ARG HA H 92 5.594 4.990 0.604 1
1 980 . 18 1 1 A 92 92 ARG C C 92 173.260 174.510 -1.250 1
1 981 . 18 1 1 A 92 92 ARG CA C 92 54.806 55.510 -0.704 1
1 982 . 18 1 1 A 92 92 ARG CB C 92 34.464 31.471 2.993 1
1 985 . 18 1 1 A 92 92 ARG N N 92 119.774 125.152 -5.378 1
1 986 . 18 1 1 A 93 93 VAL H H 93 8.430 8.815 -0.385 1
1 987 . 18 1 1 A 93 93 VAL HA H 93 4.081 4.573 -0.492 1
1 995 . 18 1 1 A 93 93 VAL C C 93 171.210 173.620 -2.410 1
1 996 . 18 1 1 A 93 93 VAL CA C 93 58.915 59.778 -0.863 1
1 997 . 18 1 1 A 93 93 VAL CB C 93 33.683 33.542 0.141 1
1 1000 . 18 1 1 A 93 93 VAL N N 93 120.381 122.157 -1.776 1
1 1001 . 18 1 1 A 94 94 THR H H 94 8.129 8.774 -0.645 1
1 1002 . 18 1 1 A 94 94 THR HA H 94 5.342 4.755 0.587 1
1 1007 . 18 1 1 A 94 94 THR C C 94 174.637 174.509 0.128 1
1 1008 . 18 1 1 A 94 94 THR CA C 94 60.799 62.153 -1.354 1
1 1009 . 18 1 1 A 94 94 THR CB C 94 70.768 69.285 1.483 1
1 1011 . 18 1 1 A 94 94 THR N N 94 124.645 124.354 0.291 1
1 1012 . 18 1 1 A 95 95 THR H H 95 8.906 8.571 0.335 1
1 1013 . 18 1 1 A 95 95 THR HA H 95 4.115 4.313 -0.198 1
1 1018 . 18 1 1 A 95 95 THR C C 95 175.367 174.494 0.873 1
1 1019 . 18 1 1 A 95 95 THR CA C 95 60.909 62.436 -1.527 1
1 1020 . 18 1 1 A 95 95 THR CB C 95 70.346 69.910 0.436 1
1 1022 . 18 1 1 A 95 95 THR N N 95 116.835 120.752 -3.917 1
1 1023 . 18 1 1 A 96 96 LYS H H 96 7.372 8.312 -0.940 1
1 1024 . 18 1 1 A 96 96 LYS HA H 96 4.189 4.325 -0.136 1
1 1033 . 18 1 1 A 96 96 LYS C C 96 176.308 177.192 -0.884 1
1 1034 . 18 1 1 A 96 96 LYS CA C 96 55.207 56.611 -1.404 1
1 1035 . 18 1 1 A 96 96 LYS CB C 96 34.095 33.266 0.829 1
1 1039 . 18 1 1 A 96 96 LYS N N 96 116.829 123.457 -6.628 1
1 1040 . 18 1 1 A 97 97 LYS H H 97 8.113 8.559 -0.446 1
1 1041 . 18 1 1 A 97 97 LYS HA H 97 4.356 4.383 -0.027 1
1 1050 . 18 1 1 A 97 97 LYS C C 97 176.106 176.507 -0.401 1
1 1051 . 18 1 1 A 97 97 LYS CA C 97 56.260 56.238 0.022 1
1 1052 . 18 1 1 A 97 97 LYS CB C 97 33.140 33.034 0.106 1
1 1056 . 18 1 1 A 97 97 LYS N N 97 119.233 121.318 -2.085 1
1 1057 . 18 1 1 A 98 98 ALA H H 98 8.484 8.455 0.029 1
1 1058 . 18 1 1 A 98 98 ALA HA H 98 4.054 4.227 -0.173 1
1 1062 . 18 1 1 A 98 98 ALA C C 98 175.754 175.537 0.217 1
1 1063 . 18 1 1 A 98 98 ALA CA C 98 50.511 50.151 0.360 1
1 1064 . 18 1 1 A 98 98 ALA CB C 98 17.093 19.530 -2.437 1
1 1065 . 18 1 1 A 98 98 ALA N N 98 126.424 125.989 0.435 1
1 1066 . 18 1 1 A 99 99 PRO HA H 99 4.313 4.500 -0.187 1
1 1073 . 18 1 1 A 99 99 PRO C C 99 176.506 176.229 0.277 1
1 1074 . 18 1 1 A 99 99 PRO CA C 99 62.584 62.332 0.252 1
1 1075 . 18 1 1 A 99 99 PRO CB C 99 32.024 32.204 -0.180 1
1 1078 . 18 1 1 A 100 100 SER H H 100 8.377 8.387 -0.010 1
1 1079 . 18 1 1 A 100 100 SER HA H 100 4.688 4.864 -0.176 1
1 1082 . 18 1 1 A 100 100 SER CA C 100 56.296 55.558 0.738 1
1 1083 . 18 1 1 A 100 100 SER CB C 100 63.276 64.265 -0.989 1
1 1084 . 18 1 1 A 100 100 SER N N 100 117.700 115.184 2.516 1
1 1086 . 18 1 1 A 103 103 SER HA H 103 4.507 5.177 -0.670 1
1 1089 . 18 1 1 A 103 103 SER CA C 103 58.198 56.938 1.260 1
1 1090 . 18 1 1 A 103 103 SER CB C 103 63.882 64.650 -0.768 1
1 1091 . 18 1 1 A 104 104 GLY H H 104 8.233 8.641 -0.408 1
1 1092 . 18 1 1 A 104 104 GLY HA2 H 104 4.124 4.273 -0.149 1
1 1093 . 18 1 1 A 104 104 GLY HA3 H 104 4.124 4.273 -0.149 1
1 1094 . 18 1 1 A 104 104 GLY CA C 104 44.608 45.109 -0.501 1
1 1095 . 18 1 1 A 104 104 GLY N N 104 110.600 110.418 0.182 1
1 1096 . 18 1 1 A 105 105 PRO HA H 105 4.460 4.713 -0.253 1
1 1103 . 18 1 1 A 105 105 PRO CA C 105 63.264 62.794 0.470 1
1 1104 . 18 1 1 A 105 105 PRO CB C 105 32.094 31.598 0.496 1
1 1 . 19 1 1 A 6 6 SER HA H 6 4.470 4.800 -0.330 1
1 3 . 19 1 1 A 6 6 SER C C 6 175.031 173.788 1.243 1
1 4 . 19 1 1 A 6 6 SER CA C 6 58.687 57.055 1.632 1
1 5 . 19 1 1 A 6 6 SER CB C 6 63.635 66.210 -2.575 1
1 6 . 19 1 1 A 7 7 GLY H H 7 8.390 8.638 -0.248 1
1 7 . 19 1 1 A 7 7 GLY HA2 H 7 3.941 3.889 0.052 1
1 8 . 19 1 1 A 7 7 GLY HA3 H 7 3.941 3.889 0.052 1
1 9 . 19 1 1 A 7 7 GLY C C 7 173.892 174.159 -0.267 1
1 10 . 19 1 1 A 7 7 GLY CA C 7 45.348 46.721 -1.373 1
1 11 . 19 1 1 A 7 7 GLY N N 7 110.659 110.399 0.260 1
1 12 . 19 1 1 A 8 8 LEU H H 8 8.017 8.069 -0.052 1
1 13 . 19 1 1 A 8 8 LEU HA H 8 4.347 4.629 -0.282 1
1 23 . 19 1 1 A 8 8 LEU C C 8 176.816 174.756 2.060 1
1 24 . 19 1 1 A 8 8 LEU CA C 8 54.760 53.533 1.227 1
1 25 . 19 1 1 A 8 8 LEU CB C 8 42.565 45.187 -2.622 1
1 29 . 19 1 1 A 8 8 LEU N N 8 121.546 122.952 -1.406 1
1 30 . 19 1 1 A 9 9 ALA H H 9 8.291 8.942 -0.651 1
1 31 . 19 1 1 A 9 9 ALA HA H 9 4.589 4.750 -0.161 1
1 35 . 19 1 1 A 9 9 ALA C C 9 174.928 174.715 0.213 1
1 36 . 19 1 1 A 9 9 ALA CA C 9 50.381 49.262 1.119 1
1 37 . 19 1 1 A 9 9 ALA CB C 9 18.293 21.880 -3.587 1
1 38 . 19 1 1 A 9 9 ALA N N 9 126.618 126.721 -0.103 1
1 39 . 19 1 1 A 10 10 PRO HA H 10 4.708 4.688 0.020 1
1 45 . 19 1 1 A 10 10 PRO CA C 10 61.347 61.928 -0.581 1
1 46 . 19 1 1 A 10 10 PRO CB C 10 30.783 32.215 -1.432 1
1 49 . 19 1 1 A 11 11 PRO HA H 11 4.442 4.378 0.064 1
1 56 . 19 1 1 A 11 11 PRO C C 11 176.585 176.695 -0.110 1
1 57 . 19 1 1 A 11 11 PRO CA C 11 63.016 65.124 -2.108 1
1 58 . 19 1 1 A 11 11 PRO CB C 11 32.096 32.090 0.006 1
1 61 . 19 1 1 A 12 12 ARG H H 12 8.348 7.604 0.744 1
1 62 . 19 1 1 A 12 12 ARG HA H 12 4.405 4.996 -0.591 1
1 69 . 19 1 1 A 12 12 ARG C C 12 175.204 174.478 0.726 1
1 70 . 19 1 1 A 12 12 ARG CA C 12 55.797 54.183 1.614 1
1 71 . 19 1 1 A 12 12 ARG CB C 12 32.052 35.144 -3.092 1
1 74 . 19 1 1 A 12 12 ARG N N 12 120.519 117.678 2.841 1
1 75 . 19 1 1 A 13 13 HIS H H 13 8.296 8.829 -0.533 1
1 76 . 19 1 1 A 13 13 HIS HA H 13 4.815 5.139 -0.324 1
1 81 . 19 1 1 A 13 13 HIS C C 13 174.544 174.979 -0.435 1
1 82 . 19 1 1 A 13 13 HIS CA C 13 55.783 55.236 0.547 1
1 83 . 19 1 1 A 13 13 HIS CB C 13 32.469 33.013 -0.544 1
1 86 . 19 1 1 A 13 13 HIS N N 13 118.569 117.098 1.471 1
1 87 . 19 1 1 A 14 14 LEU H H 14 8.209 8.361 -0.152 1
1 88 . 19 1 1 A 14 14 LEU HA H 14 4.655 5.043 -0.388 1
1 98 . 19 1 1 A 14 14 LEU C C 14 175.977 176.002 -0.025 1
1 99 . 19 1 1 A 14 14 LEU CA C 14 53.935 53.134 0.801 1
1 100 . 19 1 1 A 14 14 LEU CB C 14 44.113 44.997 -0.884 1
1 104 . 19 1 1 A 14 14 LEU N N 14 120.625 121.206 -0.581 1
1 105 . 19 1 1 A 15 15 GLY H H 15 7.988 7.887 0.101 1
1 106 . 19 1 1 A 15 15 GLY HA2 H 15 4.008 3.018 0.990 1
1 107 . 19 1 1 A 15 15 GLY HA3 H 15 2.486 4.095 -1.609 1
1 108 . 19 1 1 A 15 15 GLY C C 15 170.056 171.263 -1.207 1
1 109 . 19 1 1 A 15 15 GLY CA C 15 43.188 43.772 -0.584 1
1 110 . 19 1 1 A 15 15 GLY N N 15 111.142 108.428 2.714 1
1 111 . 19 1 1 A 16 16 PHE H H 16 8.078 8.843 -0.765 1
1 112 . 19 1 1 A 16 16 PHE HA H 16 5.830 5.545 0.285 1
1 120 . 19 1 1 A 16 16 PHE C C 16 175.968 174.131 1.837 1
1 121 . 19 1 1 A 16 16 PHE CA C 16 56.048 56.223 -0.175 1
1 122 . 19 1 1 A 16 16 PHE CB C 16 43.353 41.570 1.783 1
1 128 . 19 1 1 A 16 16 PHE N N 16 114.388 121.827 -7.439 1
1 129 . 19 1 1 A 17 17 SER H H 17 9.811 9.147 0.664 1
1 130 . 19 1 1 A 17 17 SER HA H 17 4.883 5.028 -0.145 1
1 133 . 19 1 1 A 17 17 SER C C 17 171.638 172.637 -0.999 1
1 134 . 19 1 1 A 17 17 SER CA C 17 57.073 56.154 0.919 1
1 135 . 19 1 1 A 17 17 SER CB C 17 66.893 66.677 0.216 1
1 136 . 19 1 1 A 17 17 SER N N 17 118.688 118.409 0.279 1
1 137 . 19 1 1 A 18 18 ASP H H 18 9.001 8.752 0.249 1
1 138 . 19 1 1 A 18 18 ASP HA H 18 4.171 4.125 0.046 1
1 141 . 19 1 1 A 18 18 ASP C C 18 174.520 175.482 -0.962 1
1 142 . 19 1 1 A 18 18 ASP CA C 18 55.333 55.082 0.251 1
1 143 . 19 1 1 A 18 18 ASP CB C 18 40.075 39.330 0.745 1
1 144 . 19 1 1 A 18 18 ASP N N 18 116.878 120.719 -3.841 1
1 145 . 19 1 1 A 19 19 VAL H H 19 8.202 8.018 0.184 1
1 146 . 19 1 1 A 19 19 VAL HA H 19 4.169 4.056 0.113 1
1 154 . 19 1 1 A 19 19 VAL C C 19 176.641 175.392 1.249 1
1 155 . 19 1 1 A 19 19 VAL CA C 19 63.962 63.524 0.438 1
1 156 . 19 1 1 A 19 19 VAL CB C 19 31.236 31.806 -0.570 1
1 159 . 19 1 1 A 19 19 VAL N N 19 117.253 119.456 -2.203 1
1 160 . 19 1 1 A 20 20 SER H H 20 9.066 9.093 -0.027 1
1 161 . 19 1 1 A 20 20 SER HA H 20 5.061 5.084 -0.023 1
1 164 . 19 1 1 A 20 20 SER C C 20 174.081 174.858 -0.777 1
1 165 . 19 1 1 A 20 20 SER CA C 20 55.582 57.489 -1.907 1
1 166 . 19 1 1 A 20 20 SER CB C 20 65.090 66.868 -1.778 1
1 167 . 19 1 1 A 20 20 SER N N 20 126.686 119.996 6.690 1
1 168 . 19 1 1 A 21 21 HIS H H 21 8.635 8.823 -0.188 1
1 169 . 19 1 1 A 21 21 HIS HA H 21 4.895 4.659 0.236 1
1 174 . 19 1 1 A 21 21 HIS C C 21 175.242 175.441 -0.199 1
1 175 . 19 1 1 A 21 21 HIS CA C 21 56.934 56.657 0.277 1
1 176 . 19 1 1 A 21 21 HIS CB C 21 30.651 29.855 0.796 1
1 179 . 19 1 1 A 21 21 HIS N N 21 117.241 120.805 -3.564 1
1 180 . 19 1 1 A 22 22 ASP H H 22 7.400 7.978 -0.578 1
1 181 . 19 1 1 A 22 22 ASP HA H 22 4.803 4.752 0.051 1
1 184 . 19 1 1 A 22 22 ASP C C 22 176.754 175.117 1.637 1
1 185 . 19 1 1 A 22 22 ASP CA C 22 52.316 53.198 -0.882 1
1 186 . 19 1 1 A 22 22 ASP CB C 22 41.697 42.020 -0.323 1
1 187 . 19 1 1 A 22 22 ASP N N 22 115.766 116.769 -1.003 1
1 188 . 19 1 1 A 23 23 ALA H H 23 7.379 7.482 -0.103 1
1 189 . 19 1 1 A 23 23 ALA HA H 23 4.753 4.620 0.133 1
1 193 . 19 1 1 A 23 23 ALA C C 23 174.757 175.080 -0.323 1
1 194 . 19 1 1 A 23 23 ALA CA C 23 51.613 51.629 -0.016 1
1 195 . 19 1 1 A 23 23 ALA CB C 23 22.882 22.279 0.603 1
1 196 . 19 1 1 A 23 23 ALA N N 23 122.521 119.097 3.424 1
1 197 . 19 1 1 A 24 24 ALA H H 24 7.745 8.236 -0.491 1
1 198 . 19 1 1 A 24 24 ALA HA H 24 4.593 4.889 -0.296 1
1 202 . 19 1 1 A 24 24 ALA C C 24 173.662 175.185 -1.523 1
1 203 . 19 1 1 A 24 24 ALA CA C 24 52.233 51.810 0.423 1
1 204 . 19 1 1 A 24 24 ALA CB C 24 22.894 22.831 0.063 1
1 205 . 19 1 1 A 24 24 ALA N N 24 115.485 120.135 -4.650 1
1 206 . 19 1 1 A 25 25 ARG H H 25 8.690 8.746 -0.056 1
1 207 . 19 1 1 A 25 25 ARG HA H 25 5.209 4.857 0.352 1
1 214 . 19 1 1 A 25 25 ARG C C 25 174.777 174.871 -0.094 1
1 215 . 19 1 1 A 25 25 ARG CA C 25 55.161 55.288 -0.127 1
1 216 . 19 1 1 A 25 25 ARG CB C 25 32.329 31.707 0.622 1
1 219 . 19 1 1 A 25 25 ARG N N 25 122.853 123.646 -0.793 1
1 220 . 19 1 1 A 26 26 VAL H H 26 8.865 8.821 0.044 1
1 221 . 19 1 1 A 26 26 VAL HA H 26 5.120 4.758 0.362 1
1 229 . 19 1 1 A 26 26 VAL C C 26 172.428 174.752 -2.324 1
1 230 . 19 1 1 A 26 26 VAL CA C 26 57.420 60.060 -2.640 1
1 231 . 19 1 1 A 26 26 VAL CB C 26 34.734 34.342 0.392 1
1 234 . 19 1 1 A 26 26 VAL N N 26 125.534 126.988 -1.454 1
1 235 . 19 1 1 A 27 27 PHE H H 27 8.520 8.820 -0.300 1
1 236 . 19 1 1 A 27 27 PHE HA H 27 5.039 5.288 -0.249 1
1 244 . 19 1 1 A 27 27 PHE C C 27 172.979 173.249 -0.270 1
1 245 . 19 1 1 A 27 27 PHE CA C 27 56.293 54.794 1.499 1
1 246 . 19 1 1 A 27 27 PHE CB C 27 42.190 42.203 -0.013 1
1 252 . 19 1 1 A 27 27 PHE N N 27 123.552 124.033 -0.481 1
1 253 . 19 1 1 A 28 28 TRP H H 28 7.813 7.926 -0.113 1
1 254 . 19 1 1 A 28 28 TRP HA H 28 5.058 5.486 -0.428 1
1 263 . 19 1 1 A 28 28 TRP C C 28 174.131 176.072 -1.941 1
1 264 . 19 1 1 A 28 28 TRP CA C 28 55.730 54.584 1.146 1
1 265 . 19 1 1 A 28 28 TRP CB C 28 30.997 32.517 -1.520 1
1 271 . 19 1 1 A 28 28 TRP N N 28 116.968 118.876 -1.908 1
1 273 . 19 1 1 A 29 29 GLU H H 29 8.362 8.566 -0.204 1
1 274 . 19 1 1 A 29 29 GLU HA H 29 4.356 4.384 -0.028 1
1 279 . 19 1 1 A 29 29 GLU C C 29 177.125 176.867 0.258 1
1 280 . 19 1 1 A 29 29 GLU CA C 29 55.820 56.503 -0.683 1
1 281 . 19 1 1 A 29 29 GLU CB C 29 31.085 29.544 1.541 1
1 283 . 19 1 1 A 29 29 GLU N N 29 119.239 119.057 0.182 1
1 284 . 19 1 1 A 30 30 GLY H H 30 8.729 8.175 0.554 1
1 285 . 19 1 1 A 30 30 GLY HA2 H 30 4.051 4.201 -0.150 1
1 286 . 19 1 1 A 30 30 GLY HA3 H 30 3.781 4.406 -0.625 1
1 287 . 19 1 1 A 30 30 GLY C C 30 173.621 172.815 0.806 1
1 288 . 19 1 1 A 30 30 GLY CA C 30 45.559 44.812 0.747 1
1 289 . 19 1 1 A 30 30 GLY N N 30 110.979 107.724 3.255 1
1 290 . 19 1 1 A 31 31 ALA H H 31 8.747 8.028 0.719 1
1 291 . 19 1 1 A 31 31 ALA HA H 31 4.577 5.032 -0.455 1
1 295 . 19 1 1 A 31 31 ALA C C 31 177.064 177.376 -0.312 1
1 296 . 19 1 1 A 31 31 ALA CA C 31 50.416 50.089 0.327 1
1 297 . 19 1 1 A 31 31 ALA CB C 31 19.221 21.889 -2.668 1
1 298 . 19 1 1 A 31 31 ALA N N 31 126.357 121.397 4.960 1
1 299 . 19 1 1 A 32 32 PRO HA H 32 4.630 4.498 0.132 1
1 306 . 19 1 1 A 32 32 PRO C C 32 175.001 175.181 -0.180 1
1 307 . 19 1 1 A 32 32 PRO CA C 32 63.368 64.000 -0.632 1
1 308 . 19 1 1 A 32 32 PRO CB C 32 30.738 31.592 -0.854 1
1 311 . 19 1 1 A 33 33 ARG H H 33 7.418 7.451 -0.033 1
1 312 . 19 1 1 A 33 33 ARG HA H 33 4.746 4.830 -0.084 1
1 319 . 19 1 1 A 33 33 ARG C C 33 172.695 173.403 -0.708 1
1 320 . 19 1 1 A 33 33 ARG CA C 33 53.205 53.951 -0.746 1
1 321 . 19 1 1 A 33 33 ARG CB C 33 30.414 32.731 -2.317 1
1 324 . 19 1 1 A 33 33 ARG N N 33 117.994 113.856 4.138 1
1 325 . 19 1 1 A 34 34 PRO HA H 34 4.273 4.765 -0.492 1
1 332 . 19 1 1 A 34 34 PRO C C 34 175.342 176.373 -1.031 1
1 333 . 19 1 1 A 34 34 PRO CA C 34 64.037 62.619 1.418 1
1 334 . 19 1 1 A 34 34 PRO CB C 34 32.581 32.550 0.031 1
1 337 . 19 1 1 A 35 35 VAL H H 35 8.264 8.629 -0.365 1
1 338 . 19 1 1 A 35 35 VAL HA H 35 4.237 4.837 -0.600 1
1 346 . 19 1 1 A 35 35 VAL C C 35 175.771 176.273 -0.502 1
1 347 . 19 1 1 A 35 35 VAL CA C 35 61.890 60.595 1.295 1
1 348 . 19 1 1 A 35 35 VAL CB C 35 35.092 35.362 -0.270 1
1 351 . 19 1 1 A 35 35 VAL N N 35 122.377 122.320 0.057 1
1 352 . 19 1 1 A 36 36 ARG H H 36 9.278 8.247 1.031 1
1 353 . 19 1 1 A 36 36 ARG HA H 36 4.426 4.502 -0.076 1
1 360 . 19 1 1 A 36 36 ARG C C 36 175.620 176.079 -0.459 1
1 361 . 19 1 1 A 36 36 ARG CA C 36 57.672 57.240 0.432 1
1 362 . 19 1 1 A 36 36 ARG CB C 36 31.595 31.361 0.234 1
1 365 . 19 1 1 A 36 36 ARG N N 36 125.821 121.828 3.993 1
1 366 . 19 1 1 A 37 37 LEU H H 37 7.525 7.048 0.477 1
1 367 . 19 1 1 A 37 37 LEU HA H 37 4.403 4.751 -0.348 1
1 377 . 19 1 1 A 37 37 LEU C C 37 172.405 174.389 -1.984 1
1 378 . 19 1 1 A 37 37 LEU CA C 37 54.913 54.279 0.634 1
1 379 . 19 1 1 A 37 37 LEU CB C 37 46.166 45.448 0.718 1
1 383 . 19 1 1 A 37 37 LEU N N 37 119.761 119.019 0.742 1
1 384 . 19 1 1 A 38 38 VAL H H 38 8.513 8.902 -0.389 1
1 385 . 19 1 1 A 38 38 VAL HA H 38 4.790 4.938 -0.148 1
1 393 . 19 1 1 A 38 38 VAL C C 38 174.595 174.826 -0.231 1
1 394 . 19 1 1 A 38 38 VAL CA C 38 60.992 60.324 0.668 1
1 395 . 19 1 1 A 38 38 VAL CB C 38 33.979 35.309 -1.330 1
1 398 . 19 1 1 A 38 38 VAL N N 38 123.604 124.412 -0.808 1
1 399 . 19 1 1 A 39 39 ARG H H 39 9.025 9.086 -0.061 1
1 400 . 19 1 1 A 39 39 ARG HA H 39 4.839 4.993 -0.154 1
1 407 . 19 1 1 A 39 39 ARG C C 39 174.581 175.127 -0.546 1
1 408 . 19 1 1 A 39 39 ARG CA C 39 55.150 54.688 0.462 1
1 409 . 19 1 1 A 39 39 ARG CB C 39 32.919 33.734 -0.815 1
1 412 . 19 1 1 A 39 39 ARG N N 39 126.442 126.131 0.311 1
1 413 . 19 1 1 A 40 40 VAL H H 40 9.059 9.312 -0.253 1
1 414 . 19 1 1 A 40 40 VAL HA H 40 5.177 5.005 0.172 1
1 422 . 19 1 1 A 40 40 VAL C C 40 175.508 175.349 0.159 1
1 423 . 19 1 1 A 40 40 VAL CA C 40 60.513 61.552 -1.039 1
1 424 . 19 1 1 A 40 40 VAL CB C 40 33.390 32.694 0.696 1
1 427 . 19 1 1 A 40 40 VAL N N 40 127.219 126.927 0.292 1
1 428 . 19 1 1 A 41 41 THR H H 41 9.244 9.126 0.118 1
1 429 . 19 1 1 A 41 41 THR HA H 41 5.056 5.019 0.037 1
1 434 . 19 1 1 A 41 41 THR C C 41 173.323 172.822 0.501 1
1 435 . 19 1 1 A 41 41 THR CA C 41 59.618 60.742 -1.124 1
1 436 . 19 1 1 A 41 41 THR CB C 41 71.668 71.348 0.320 1
1 438 . 19 1 1 A 41 41 THR N N 41 117.579 116.000 1.579 1
1 439 . 19 1 1 A 42 42 TYR H H 42 7.955 8.290 -0.335 1
1 440 . 19 1 1 A 42 42 TYR HA H 42 5.825 6.121 -0.296 1
1 447 . 19 1 1 A 42 42 TYR C C 42 173.794 173.704 0.090 1
1 448 . 19 1 1 A 42 42 TYR CA C 42 54.314 55.175 -0.861 1
1 449 . 19 1 1 A 42 42 TYR CB C 42 39.788 42.451 -2.663 1
1 454 . 19 1 1 A 42 42 TYR N N 42 117.304 120.406 -3.102 1
1 455 . 19 1 1 A 43 43 VAL H H 43 8.547 8.853 -0.306 1
1 456 . 19 1 1 A 43 43 VAL HA H 43 5.069 4.651 0.418 1
1 464 . 19 1 1 A 43 43 VAL C C 43 174.912 173.391 1.521 1
1 465 . 19 1 1 A 43 43 VAL CA C 43 60.142 60.728 -0.586 1
1 466 . 19 1 1 A 43 43 VAL CB C 43 35.329 34.755 0.574 1
1 469 . 19 1 1 A 43 43 VAL N N 43 119.038 120.423 -1.385 1
1 470 . 19 1 1 A 44 44 SER H H 44 9.123 8.774 0.349 1
1 471 . 19 1 1 A 44 44 SER HA H 44 4.307 3.893 0.414 1
1 474 . 19 1 1 A 44 44 SER C C 44 176.777 175.155 1.622 1
1 475 . 19 1 1 A 44 44 SER CA C 44 57.838 58.414 -0.576 1
1 476 . 19 1 1 A 44 44 SER CB C 44 64.064 63.453 0.611 1
1 477 . 19 1 1 A 44 44 SER N N 44 124.942 121.710 3.232 1
1 478 . 19 1 1 A 45 45 SER H H 45 8.562 8.312 0.250 1
1 479 . 19 1 1 A 45 45 SER HA H 45 4.175 4.077 0.098 1
1 482 . 19 1 1 A 45 45 SER C C 45 175.366 175.196 0.170 1
1 483 . 19 1 1 A 45 45 SER CA C 45 61.239 61.426 -0.187 1
1 484 . 19 1 1 A 45 45 SER CB C 45 62.976 63.002 -0.026 1
1 485 . 19 1 1 A 45 45 SER N N 45 119.157 120.621 -1.464 1
1 486 . 19 1 1 A 46 46 GLU H H 46 8.321 7.433 0.888 1
1 487 . 19 1 1 A 46 46 GLU HA H 46 4.442 4.256 0.186 1
1 492 . 19 1 1 A 46 46 GLU C C 46 177.463 177.743 -0.280 1
1 493 . 19 1 1 A 46 46 GLU CA C 46 56.409 55.586 0.823 1
1 494 . 19 1 1 A 46 46 GLU CB C 46 29.633 28.636 0.997 1
1 496 . 19 1 1 A 46 46 GLU N N 46 119.112 115.656 3.456 1
1 497 . 19 1 1 A 47 47 GLY H H 47 8.129 7.539 0.590 1
1 498 . 19 1 1 A 47 47 GLY HA2 H 47 4.150 3.871 0.279 1
1 499 . 19 1 1 A 47 47 GLY HA3 H 47 3.646 3.880 -0.234 1
1 500 . 19 1 1 A 47 47 GLY C C 47 175.047 175.334 -0.287 1
1 501 . 19 1 1 A 47 47 GLY CA C 47 45.400 46.920 -1.520 1
1 502 . 19 1 1 A 47 47 GLY N N 47 109.344 109.459 -0.115 1
1 503 . 19 1 1 A 48 48 GLY H H 48 7.927 8.062 -0.135 1
1 504 . 19 1 1 A 48 48 GLY HA2 H 48 3.982 3.835 0.147 1
1 505 . 19 1 1 A 48 48 GLY HA3 H 48 3.855 3.837 0.018 1
1 506 . 19 1 1 A 48 48 GLY C C 48 173.614 173.883 -0.269 1
1 507 . 19 1 1 A 48 48 GLY CA C 48 46.073 46.929 -0.856 1
1 508 . 19 1 1 A 48 48 GLY N N 48 107.840 107.509 0.331 1
1 509 . 19 1 1 A 49 49 HIS H H 49 7.985 8.200 -0.215 1
1 510 . 19 1 1 A 49 49 HIS HA H 49 4.951 4.948 0.003 1
1 515 . 19 1 1 A 49 49 HIS C C 49 173.760 174.032 -0.272 1
1 516 . 19 1 1 A 49 49 HIS CA C 49 56.608 55.355 1.253 1
1 517 . 19 1 1 A 49 49 HIS CB C 49 33.119 32.195 0.924 1
1 520 . 19 1 1 A 49 49 HIS N N 49 120.577 120.453 0.124 1
1 521 . 19 1 1 A 50 50 SER H H 50 8.118 8.603 -0.485 1
1 522 . 19 1 1 A 50 50 SER HA H 50 5.184 4.884 0.300 1
1 525 . 19 1 1 A 50 50 SER C C 50 172.582 172.977 -0.395 1
1 526 . 19 1 1 A 50 50 SER CA C 50 56.463 56.142 0.321 1
1 527 . 19 1 1 A 50 50 SER CB C 50 66.423 66.362 0.061 1
1 528 . 19 1 1 A 50 50 SER N N 50 120.879 119.223 1.656 1
1 529 . 19 1 1 A 51 51 GLY H H 51 7.900 7.600 0.300 1
1 530 . 19 1 1 A 51 51 GLY HA2 H 51 4.027 3.593 0.434 1
1 531 . 19 1 1 A 51 51 GLY HA3 H 51 3.236 4.163 -0.927 1
1 532 . 19 1 1 A 51 51 GLY C C 51 171.073 171.798 -0.725 1
1 533 . 19 1 1 A 51 51 GLY CA C 51 44.696 44.766 -0.070 1
1 534 . 19 1 1 A 51 51 GLY N N 51 108.215 107.040 1.175 1
1 535 . 19 1 1 A 52 52 GLN H H 52 8.256 8.537 -0.281 1
1 536 . 19 1 1 A 52 52 GLN HA H 52 5.308 4.991 0.317 1
1 543 . 19 1 1 A 52 52 GLN C C 52 174.217 173.467 0.750 1
1 544 . 19 1 1 A 52 52 GLN CA C 52 54.516 55.801 -1.285 1
1 545 . 19 1 1 A 52 52 GLN CB C 52 32.541 31.507 1.034 1
1 547 . 19 1 1 A 52 52 GLN N N 52 115.667 119.076 -3.409 1
1 549 . 19 1 1 A 53 53 THR H H 53 9.298 8.756 0.542 1
1 550 . 19 1 1 A 53 53 THR HA H 53 4.753 5.223 -0.470 1
1 555 . 19 1 1 A 53 53 THR C C 53 171.720 171.745 -0.025 1
1 556 . 19 1 1 A 53 53 THR CA C 53 60.869 59.821 1.048 1
1 557 . 19 1 1 A 53 53 THR CB C 53 70.580 71.764 -1.184 1
1 559 . 19 1 1 A 53 53 THR N N 53 117.486 121.579 -4.093 1
1 560 . 19 1 1 A 54 54 GLU H H 54 8.404 9.055 -0.651 1
1 561 . 19 1 1 A 54 54 GLU HA H 54 5.378 5.432 -0.054 1
1 566 . 19 1 1 A 54 54 GLU C C 54 174.705 175.166 -0.461 1
1 567 . 19 1 1 A 54 54 GLU CA C 54 54.693 55.000 -0.307 1
1 568 . 19 1 1 A 54 54 GLU CB C 54 33.434 32.368 1.066 1
1 570 . 19 1 1 A 54 54 GLU N N 54 123.651 128.737 -5.086 1
1 571 . 19 1 1 A 55 55 ALA H H 55 9.471 8.947 0.524 1
1 572 . 19 1 1 A 55 55 ALA HA H 55 5.056 4.933 0.123 1
1 576 . 19 1 1 A 55 55 ALA C C 55 172.938 174.151 -1.213 1
1 577 . 19 1 1 A 55 55 ALA CA C 55 49.216 50.158 -0.942 1
1 578 . 19 1 1 A 55 55 ALA CB C 55 20.410 22.478 -2.068 1
1 579 . 19 1 1 A 55 55 ALA N N 55 126.815 125.093 1.722 1
1 580 . 19 1 1 A 56 56 PRO HA H 56 4.630 4.584 0.046 1
1 587 . 19 1 1 A 56 56 PRO C C 56 176.935 177.345 -0.410 1
1 588 . 19 1 1 A 56 56 PRO CA C 56 62.303 62.551 -0.248 1
1 589 . 19 1 1 A 56 56 PRO CB C 56 32.745 32.833 -0.088 1
1 592 . 19 1 1 A 57 57 GLY H H 57 8.240 8.149 0.091 1
1 593 . 19 1 1 A 57 57 GLY HA2 H 57 3.839 3.878 -0.039 1
1 594 . 19 1 1 A 57 57 GLY HA3 H 57 3.547 3.888 -0.341 1
1 595 . 19 1 1 A 57 57 GLY C C 57 173.839 174.796 -0.957 1
1 596 . 19 1 1 A 57 57 GLY CA C 57 47.092 46.696 0.396 1
1 597 . 19 1 1 A 57 57 GLY N N 57 104.338 108.973 -4.635 1
1 598 . 19 1 1 A 58 58 ASN H H 58 7.935 8.024 -0.089 1
1 599 . 19 1 1 A 58 58 ASN HA H 58 4.778 4.905 -0.127 1
1 604 . 19 1 1 A 58 58 ASN C C 58 175.578 174.618 0.960 1
1 605 . 19 1 1 A 58 58 ASN CA C 58 52.176 53.287 -1.111 1
1 606 . 19 1 1 A 58 58 ASN CB C 58 37.384 38.952 -1.568 1
1 607 . 19 1 1 A 58 58 ASN N N 58 114.653 116.709 -2.056 1
1 609 . 19 1 1 A 59 59 ALA H H 59 8.041 7.729 0.312 1
1 610 . 19 1 1 A 59 59 ALA HA H 59 4.360 4.567 -0.207 1
1 614 . 19 1 1 A 59 59 ALA C C 59 177.738 178.455 -0.717 1
1 615 . 19 1 1 A 59 59 ALA CA C 59 52.792 50.837 1.955 1
1 616 . 19 1 1 A 59 59 ALA CB C 59 20.834 20.398 0.436 1
1 617 . 19 1 1 A 59 59 ALA N N 59 124.183 123.388 0.795 1
1 618 . 19 1 1 A 60 60 THR H H 60 8.274 8.617 -0.343 1
1 619 . 19 1 1 A 60 60 THR HA H 60 3.299 3.905 -0.606 1
1 624 . 19 1 1 A 60 60 THR C C 60 171.681 172.938 -1.257 1
1 625 . 19 1 1 A 60 60 THR CA C 60 59.732 60.266 -0.534 1
1 626 . 19 1 1 A 60 60 THR CB C 60 69.010 68.778 0.232 1
1 628 . 19 1 1 A 60 60 THR N N 60 108.095 112.987 -4.892 1
1 629 . 19 1 1 A 61 61 SER H H 61 6.728 7.347 -0.619 1
1 630 . 19 1 1 A 61 61 SER HA H 61 4.584 4.377 0.207 1
1 633 . 19 1 1 A 61 61 SER C C 61 172.948 172.522 0.426 1
1 634 . 19 1 1 A 61 61 SER CA C 61 57.403 57.311 0.092 1
1 635 . 19 1 1 A 61 61 SER CB C 61 65.767 65.145 0.622 1
1 636 . 19 1 1 A 61 61 SER N N 61 110.991 113.344 -2.353 1
1 637 . 19 1 1 A 62 62 ALA H H 62 8.954 8.107 0.847 1
1 638 . 19 1 1 A 62 62 ALA HA H 62 4.581 4.992 -0.411 1
1 642 . 19 1 1 A 62 62 ALA C C 62 174.741 176.216 -1.475 1
1 643 . 19 1 1 A 62 62 ALA CA C 62 51.949 51.578 0.371 1
1 644 . 19 1 1 A 62 62 ALA CB C 62 21.659 23.258 -1.599 1
1 645 . 19 1 1 A 62 62 ALA N N 62 119.306 122.208 -2.902 1
1 646 . 19 1 1 A 63 63 MET H H 63 8.599 8.408 0.191 1
1 647 . 19 1 1 A 63 63 MET HA H 63 4.993 4.924 0.069 1
1 655 . 19 1 1 A 63 63 MET C C 63 175.386 175.399 -0.013 1
1 656 . 19 1 1 A 63 63 MET CA C 63 53.760 54.689 -0.929 1
1 657 . 19 1 1 A 63 63 MET CB C 63 31.842 34.269 -2.427 1
1 660 . 19 1 1 A 63 63 MET N N 63 120.537 120.005 0.532 1
1 661 . 19 1 1 A 64 64 LEU H H 64 9.244 8.182 1.062 1
1 662 . 19 1 1 A 64 64 LEU HA H 64 4.494 5.082 -0.588 1
1 672 . 19 1 1 A 64 64 LEU C C 64 175.976 175.784 0.192 1
1 673 . 19 1 1 A 64 64 LEU CA C 64 52.988 53.102 -0.114 1
1 674 . 19 1 1 A 64 64 LEU CB C 64 42.785 45.544 -2.759 1
1 678 . 19 1 1 A 64 64 LEU N N 64 124.823 121.034 3.789 1
1 679 . 19 1 1 A 65 65 GLY H H 65 7.516 8.290 -0.774 1
1 680 . 19 1 1 A 65 65 GLY HA2 H 65 4.505 4.078 0.427 1
1 681 . 19 1 1 A 65 65 GLY HA3 H 65 3.237 4.082 -0.845 1
1 682 . 19 1 1 A 65 65 GLY C C 65 170.608 171.586 -0.978 1
1 683 . 19 1 1 A 65 65 GLY CA C 65 44.505 44.830 -0.325 1
1 684 . 19 1 1 A 65 65 GLY N N 65 106.855 109.339 -2.484 1
1 685 . 19 1 1 A 66 66 PRO HA H 66 4.626 4.724 -0.098 1
1 692 . 19 1 1 A 66 66 PRO C C 66 176.262 176.719 -0.457 1
1 693 . 19 1 1 A 66 66 PRO CA C 66 62.542 62.882 -0.340 1
1 694 . 19 1 1 A 66 66 PRO CB C 66 34.107 31.956 2.151 1
1 697 . 19 1 1 A 67 67 LEU H H 67 8.487 8.469 0.018 1
1 698 . 19 1 1 A 67 67 LEU HA H 67 4.586 4.695 -0.109 1
1 708 . 19 1 1 A 67 67 LEU C C 67 176.158 176.003 0.155 1
1 709 . 19 1 1 A 67 67 LEU CA C 67 52.335 53.293 -0.958 1
1 710 . 19 1 1 A 67 67 LEU CB C 67 43.440 42.700 0.740 1
1 714 . 19 1 1 A 67 67 LEU N N 67 124.582 123.093 1.489 1
1 715 . 19 1 1 A 68 68 SER H H 68 8.958 8.987 -0.029 1
1 716 . 19 1 1 A 68 68 SER HA H 68 4.529 4.937 -0.408 1
1 719 . 19 1 1 A 68 68 SER C C 68 174.360 173.671 0.689 1
1 720 . 19 1 1 A 68 68 SER CA C 68 58.649 55.894 2.755 1
1 721 . 19 1 1 A 68 68 SER CB C 68 64.239 65.839 -1.600 1
1 722 . 19 1 1 A 68 68 SER N N 68 117.670 116.254 1.416 1
1 723 . 19 1 1 A 69 69 SER H H 69 8.511 8.729 -0.218 1
1 724 . 19 1 1 A 69 69 SER HA H 69 5.085 5.212 -0.127 1
1 727 . 19 1 1 A 69 69 SER C C 69 175.660 174.080 1.580 1
1 728 . 19 1 1 A 69 69 SER CA C 69 59.071 56.296 2.775 1
1 729 . 19 1 1 A 69 69 SER CB C 69 64.439 65.845 -1.406 1
1 730 . 19 1 1 A 69 69 SER N N 69 119.760 117.637 2.123 1
1 731 . 19 1 1 A 70 70 SER H H 70 7.974 8.765 -0.791 1
1 732 . 19 1 1 A 70 70 SER HA H 70 3.799 4.108 -0.309 1
1 735 . 19 1 1 A 70 70 SER C C 70 173.645 173.017 0.628 1
1 736 . 19 1 1 A 70 70 SER CA C 70 58.453 59.203 -0.750 1
1 737 . 19 1 1 A 70 70 SER CB C 70 62.477 61.980 0.497 1
1 738 . 19 1 1 A 70 70 SER N N 70 121.170 116.256 4.914 1
1 739 . 19 1 1 A 71 71 THR H H 71 8.325 7.685 0.640 1
1 740 . 19 1 1 A 71 71 THR HA H 71 4.482 4.636 -0.154 1
1 745 . 19 1 1 A 71 71 THR C C 71 171.950 173.292 -1.342 1
1 746 . 19 1 1 A 71 71 THR CA C 71 62.453 61.602 0.851 1
1 747 . 19 1 1 A 71 71 THR CB C 71 72.120 70.999 1.121 1
1 749 . 19 1 1 A 71 71 THR N N 71 115.265 114.840 0.425 1
1 750 . 19 1 1 A 72 72 THR H H 72 8.963 8.755 0.208 1
1 751 . 19 1 1 A 72 72 THR HA H 72 5.044 4.536 0.508 1
1 756 . 19 1 1 A 72 72 THR C C 72 173.198 173.766 -0.568 1
1 757 . 19 1 1 A 72 72 THR CA C 72 62.216 63.008 -0.792 1
1 758 . 19 1 1 A 72 72 THR CB C 72 69.392 68.893 0.499 1
1 760 . 19 1 1 A 72 72 THR N N 72 124.221 122.197 2.024 1
1 761 . 19 1 1 A 73 73 TYR H H 73 9.711 9.225 0.486 1
1 762 . 19 1 1 A 73 73 TYR HA H 73 4.852 5.476 -0.624 1
1 767 . 19 1 1 A 73 73 TYR C C 73 175.854 175.329 0.525 1
1 768 . 19 1 1 A 73 73 TYR CA C 73 57.596 56.547 1.049 1
1 769 . 19 1 1 A 73 73 TYR CB C 73 41.377 40.417 0.960 1
1 774 . 19 1 1 A 73 73 TYR N N 73 126.553 126.162 0.391 1
1 775 . 19 1 1 A 74 74 THR H H 74 8.981 9.308 -0.327 1
1 776 . 19 1 1 A 74 74 THR HA H 74 4.648 4.834 -0.186 1
1 781 . 19 1 1 A 74 74 THR C C 74 174.296 174.343 -0.047 1
1 782 . 19 1 1 A 74 74 THR CA C 74 63.156 62.536 0.620 1
1 783 . 19 1 1 A 74 74 THR CB C 74 68.916 68.158 0.758 1
1 785 . 19 1 1 A 74 74 THR N N 74 118.190 120.056 -1.866 1
1 786 . 19 1 1 A 75 75 VAL H H 75 9.376 8.458 0.918 1
1 787 . 19 1 1 A 75 75 VAL HA H 75 4.951 4.449 0.502 1
1 795 . 19 1 1 A 75 75 VAL C C 75 173.554 175.404 -1.850 1
1 796 . 19 1 1 A 75 75 VAL CA C 75 61.004 62.777 -1.773 1
1 797 . 19 1 1 A 75 75 VAL CB C 75 34.541 32.673 1.868 1
1 800 . 19 1 1 A 75 75 VAL N N 75 130.973 127.853 3.120 1
1 801 . 19 1 1 A 76 76 ARG H H 76 9.023 8.618 0.405 1
1 802 . 19 1 1 A 76 76 ARG HA H 76 5.218 4.907 0.311 1
1 809 . 19 1 1 A 76 76 ARG C C 76 175.034 174.327 0.707 1
1 810 . 19 1 1 A 76 76 ARG CA C 76 54.501 54.960 -0.459 1
1 811 . 19 1 1 A 76 76 ARG CB C 76 32.621 33.783 -1.162 1
1 814 . 19 1 1 A 76 76 ARG N N 76 126.030 126.570 -0.540 1
1 815 . 19 1 1 A 77 77 VAL H H 77 9.155 9.071 0.084 1
1 816 . 19 1 1 A 77 77 VAL HA H 77 4.165 4.319 -0.154 1
1 824 . 19 1 1 A 77 77 VAL C C 77 174.967 174.931 0.036 1
1 825 . 19 1 1 A 77 77 VAL CA C 77 61.626 62.046 -0.420 1
1 826 . 19 1 1 A 77 77 VAL CB C 77 33.367 31.280 2.087 1
1 829 . 19 1 1 A 77 77 VAL N N 77 125.903 126.867 -0.964 1
1 830 . 19 1 1 A 78 78 THR H H 78 9.313 8.752 0.561 1
1 831 . 19 1 1 A 78 78 THR HA H 78 5.121 4.593 0.528 1
1 836 . 19 1 1 A 78 78 THR C C 78 173.388 173.914 -0.526 1
1 837 . 19 1 1 A 78 78 THR CA C 78 61.286 62.022 -0.736 1
1 838 . 19 1 1 A 78 78 THR CB C 78 70.432 69.602 0.830 1
1 840 . 19 1 1 A 78 78 THR N N 78 126.547 123.430 3.117 1
1 841 . 19 1 1 A 79 79 CYS H H 79 8.807 9.145 -0.338 1
1 842 . 19 1 1 A 79 79 CYS HA H 79 4.410 4.902 -0.492 1
1 845 . 19 1 1 A 79 79 CYS C C 79 172.501 173.287 -0.786 1
1 846 . 19 1 1 A 79 79 CYS CA C 79 58.141 57.036 1.105 1
1 847 . 19 1 1 A 79 79 CYS CB C 79 28.102 28.661 -0.559 1
1 848 . 19 1 1 A 79 79 CYS N N 79 125.160 125.786 -0.626 1
1 849 . 19 1 1 A 80 80 LEU H H 80 8.417 8.624 -0.207 1
1 850 . 19 1 1 A 80 80 LEU HA H 80 4.377 4.607 -0.230 1
1 860 . 19 1 1 A 80 80 LEU C C 80 175.846 175.640 0.206 1
1 861 . 19 1 1 A 80 80 LEU CA C 80 54.400 53.127 1.273 1
1 862 . 19 1 1 A 80 80 LEU CB C 80 41.520 42.329 -0.809 1
1 866 . 19 1 1 A 80 80 LEU N N 80 123.584 126.687 -3.103 1
1 867 . 19 1 1 A 81 81 TYR H H 81 8.090 8.702 -0.612 1
1 868 . 19 1 1 A 81 81 TYR HA H 81 5.085 4.624 0.461 1
1 875 . 19 1 1 A 81 81 TYR C C 81 175.341 176.236 -0.895 1
1 876 . 19 1 1 A 81 81 TYR CA C 81 55.561 57.272 -1.711 1
1 877 . 19 1 1 A 81 81 TYR CB C 81 36.792 38.716 -1.924 1
1 882 . 19 1 1 A 81 81 TYR N N 81 123.717 125.166 -1.449 1
1 883 . 19 1 1 A 82 82 PRO HA H 82 4.358 4.480 -0.122 1
1 890 . 19 1 1 A 82 82 PRO CA C 82 64.469 63.859 0.610 1
1 891 . 19 1 1 A 82 82 PRO CB C 82 31.395 31.459 -0.064 1
1 894 . 19 1 1 A 83 83 GLY HA2 H 83 4.164 4.057 0.107 1
1 895 . 19 1 1 A 83 83 GLY HA3 H 83 3.880 4.058 -0.178 1
1 896 . 19 1 1 A 83 83 GLY C C 83 174.832 173.922 0.910 1
1 897 . 19 1 1 A 83 83 GLY CA C 83 45.437 44.543 0.894 1
1 898 . 19 1 1 A 84 84 GLY H H 84 7.641 8.468 -0.827 1
1 899 . 19 1 1 A 84 84 GLY HA2 H 84 4.581 4.022 0.559 1
1 900 . 19 1 1 A 84 84 GLY HA3 H 84 3.788 4.035 -0.247 1
1 901 . 19 1 1 A 84 84 GLY C C 84 174.354 173.706 0.648 1
1 902 . 19 1 1 A 84 84 GLY CA C 84 44.801 46.670 -1.869 1
1 903 . 19 1 1 A 84 84 GLY N N 84 107.816 111.329 -3.513 1
1 904 . 19 1 1 A 85 85 GLY H H 85 8.303 8.221 0.082 1
1 905 . 19 1 1 A 85 85 GLY HA2 H 85 4.322 4.279 0.043 1
1 906 . 19 1 1 A 85 85 GLY HA3 H 85 4.113 4.296 -0.183 1
1 907 . 19 1 1 A 85 85 GLY C C 85 172.757 171.383 1.374 1
1 908 . 19 1 1 A 85 85 GLY CA C 85 44.602 45.818 -1.216 1
1 909 . 19 1 1 A 85 85 GLY N N 85 108.998 111.165 -2.167 1
1 910 . 19 1 1 A 86 86 SER H H 86 8.361 8.468 -0.107 1
1 911 . 19 1 1 A 86 86 SER HA H 86 5.024 5.172 -0.148 1
1 914 . 19 1 1 A 86 86 SER C C 86 173.484 172.637 0.847 1
1 915 . 19 1 1 A 86 86 SER CA C 86 57.738 57.626 0.112 1
1 916 . 19 1 1 A 86 86 SER CB C 86 66.693 65.937 0.756 1
1 917 . 19 1 1 A 86 86 SER N N 86 111.910 113.844 -1.934 1
1 918 . 19 1 1 A 87 87 SER H H 87 8.105 8.218 -0.113 1
1 919 . 19 1 1 A 87 87 SER HA H 87 4.827 5.175 -0.348 1
1 922 . 19 1 1 A 87 87 SER C C 87 173.377 173.408 -0.031 1
1 923 . 19 1 1 A 87 87 SER CA C 87 57.737 57.676 0.061 1
1 924 . 19 1 1 A 87 87 SER CB C 87 65.849 66.217 -0.368 1
1 925 . 19 1 1 A 87 87 SER N N 87 112.598 117.843 -5.245 1
1 926 . 19 1 1 A 88 88 THR H H 88 8.778 8.846 -0.068 1
1 927 . 19 1 1 A 88 88 THR HA H 88 5.439 5.244 0.195 1
1 932 . 19 1 1 A 88 88 THR C C 88 173.289 173.289 0.000 1
1 933 . 19 1 1 A 88 88 THR CA C 88 62.083 61.824 0.259 1
1 934 . 19 1 1 A 88 88 THR CB C 88 72.001 70.509 1.492 1
1 936 . 19 1 1 A 88 88 THR N N 88 120.383 120.456 -0.073 1
1 937 . 19 1 1 A 89 89 LEU H H 89 8.832 9.307 -0.475 1
1 938 . 19 1 1 A 89 89 LEU HA H 89 4.766 4.778 -0.012 1
1 948 . 19 1 1 A 89 89 LEU C C 89 175.440 175.775 -0.335 1
1 949 . 19 1 1 A 89 89 LEU CA C 89 53.671 53.789 -0.118 1
1 950 . 19 1 1 A 89 89 LEU CB C 89 45.972 42.555 3.417 1
1 954 . 19 1 1 A 89 89 LEU N N 89 128.653 128.070 0.583 1
1 955 . 19 1 1 A 90 90 THR H H 90 8.576 8.976 -0.400 1
1 956 . 19 1 1 A 90 90 THR HA H 90 5.622 4.990 0.632 1
1 961 . 19 1 1 A 90 90 THR C C 90 174.307 174.582 -0.275 1
1 962 . 19 1 1 A 90 90 THR CA C 90 60.799 60.822 -0.023 1
1 963 . 19 1 1 A 90 90 THR CB C 90 71.589 70.781 0.808 1
1 965 . 19 1 1 A 90 90 THR N N 90 115.259 120.366 -5.107 1
1 966 . 19 1 1 A 91 91 GLY H H 91 9.071 8.909 0.162 1
1 967 . 19 1 1 A 91 91 GLY HA2 H 91 4.605 4.471 0.134 1
1 968 . 19 1 1 A 91 91 GLY HA3 H 91 3.960 4.620 -0.660 1
1 969 . 19 1 1 A 91 91 GLY C C 91 170.717 172.092 -1.375 1
1 970 . 19 1 1 A 91 91 GLY CA C 91 45.314 45.881 -0.567 1
1 971 . 19 1 1 A 91 91 GLY N N 91 112.300 111.178 1.122 1
1 972 . 19 1 1 A 92 92 ARG H H 92 8.558 8.645 -0.087 1
1 973 . 19 1 1 A 92 92 ARG HA H 92 5.594 5.065 0.529 1
1 980 . 19 1 1 A 92 92 ARG C C 92 173.260 173.800 -0.540 1
1 981 . 19 1 1 A 92 92 ARG CA C 92 54.806 54.300 0.506 1
1 982 . 19 1 1 A 92 92 ARG CB C 92 34.464 33.534 0.930 1
1 985 . 19 1 1 A 92 92 ARG N N 92 119.774 120.894 -1.120 1
1 986 . 19 1 1 A 93 93 VAL H H 93 8.430 9.023 -0.593 1
1 987 . 19 1 1 A 93 93 VAL HA H 93 4.081 4.443 -0.362 1
1 995 . 19 1 1 A 93 93 VAL C C 93 171.210 173.809 -2.599 1
1 996 . 19 1 1 A 93 93 VAL CA C 93 58.915 59.804 -0.889 1
1 997 . 19 1 1 A 93 93 VAL CB C 93 33.683 33.816 -0.133 1
1 1000 . 19 1 1 A 93 93 VAL N N 93 120.381 123.914 -3.533 1
1 1001 . 19 1 1 A 94 94 THR H H 94 8.129 8.870 -0.741 1
1 1002 . 19 1 1 A 94 94 THR HA H 94 5.342 4.852 0.490 1
1 1007 . 19 1 1 A 94 94 THR C C 94 174.637 174.608 0.029 1
1 1008 . 19 1 1 A 94 94 THR CA C 94 60.799 62.099 -1.300 1
1 1009 . 19 1 1 A 94 94 THR CB C 94 70.768 69.065 1.703 1
1 1011 . 19 1 1 A 94 94 THR N N 94 124.645 125.145 -0.500 1
1 1012 . 19 1 1 A 95 95 THR H H 95 8.906 8.435 0.471 1
1 1013 . 19 1 1 A 95 95 THR HA H 95 4.115 4.326 -0.211 1
1 1018 . 19 1 1 A 95 95 THR C C 95 175.367 174.490 0.877 1
1 1019 . 19 1 1 A 95 95 THR CA C 95 60.909 62.411 -1.502 1
1 1020 . 19 1 1 A 95 95 THR CB C 95 70.346 69.984 0.362 1
1 1022 . 19 1 1 A 95 95 THR N N 95 116.835 121.127 -4.292 1
1 1023 . 19 1 1 A 96 96 LYS H H 96 7.372 8.321 -0.949 1
1 1024 . 19 1 1 A 96 96 LYS HA H 96 4.189 4.345 -0.156 1
1 1033 . 19 1 1 A 96 96 LYS C C 96 176.308 177.447 -1.139 1
1 1034 . 19 1 1 A 96 96 LYS CA C 96 55.207 56.480 -1.273 1
1 1035 . 19 1 1 A 96 96 LYS CB C 96 34.095 33.344 0.751 1
1 1039 . 19 1 1 A 96 96 LYS N N 96 116.829 123.159 -6.330 1
1 1040 . 19 1 1 A 97 97 LYS H H 97 8.113 8.599 -0.486 1
1 1041 . 19 1 1 A 97 97 LYS HA H 97 4.356 4.392 -0.036 1
1 1050 . 19 1 1 A 97 97 LYS C C 97 176.106 176.577 -0.471 1
1 1051 . 19 1 1 A 97 97 LYS CA C 97 56.260 56.597 -0.337 1
1 1052 . 19 1 1 A 97 97 LYS CB C 97 33.140 33.012 0.128 1
1 1056 . 19 1 1 A 97 97 LYS N N 97 119.233 121.776 -2.543 1
1 1057 . 19 1 1 A 98 98 ALA H H 98 8.484 8.475 0.009 1
1 1058 . 19 1 1 A 98 98 ALA HA H 98 4.054 3.804 0.250 1
1 1062 . 19 1 1 A 98 98 ALA C C 98 175.754 175.618 0.136 1
1 1063 . 19 1 1 A 98 98 ALA CA C 98 50.511 50.631 -0.120 1
1 1064 . 19 1 1 A 98 98 ALA CB C 98 17.093 17.896 -0.803 1
1 1065 . 19 1 1 A 98 98 ALA N N 98 126.424 126.350 0.074 1
1 1066 . 19 1 1 A 99 99 PRO HA H 99 4.313 4.361 -0.048 1
1 1073 . 19 1 1 A 99 99 PRO C C 99 176.506 177.248 -0.742 1
1 1074 . 19 1 1 A 99 99 PRO CA C 99 62.584 62.550 0.034 1
1 1075 . 19 1 1 A 99 99 PRO CB C 99 32.024 32.081 -0.057 1
1 1078 . 19 1 1 A 100 100 SER H H 100 8.377 8.321 0.056 1
1 1079 . 19 1 1 A 100 100 SER HA H 100 4.688 4.402 0.286 1
1 1082 . 19 1 1 A 100 100 SER CA C 100 56.296 58.177 -1.881 1
1 1083 . 19 1 1 A 100 100 SER CB C 100 63.276 62.958 0.318 1
1 1084 . 19 1 1 A 100 100 SER N N 100 117.700 118.285 -0.585 1
1 1086 . 19 1 1 A 103 103 SER HA H 103 4.507 4.478 0.029 1
1 1089 . 19 1 1 A 103 103 SER CA C 103 58.198 58.584 -0.386 1
1 1090 . 19 1 1 A 103 103 SER CB C 103 63.882 63.908 -0.026 1
1 1091 . 19 1 1 A 104 104 GLY H H 104 8.233 8.669 -0.436 1
1 1092 . 19 1 1 A 104 104 GLY HA2 H 104 4.124 4.321 -0.197 1
1 1093 . 19 1 1 A 104 104 GLY HA3 H 104 4.124 4.322 -0.198 1
1 1094 . 19 1 1 A 104 104 GLY CA C 104 44.608 44.594 0.014 1
1 1095 . 19 1 1 A 104 104 GLY N N 104 110.600 109.075 1.525 1
1 1096 . 19 1 1 A 105 105 PRO HA H 105 4.460 4.664 -0.204 1
1 1103 . 19 1 1 A 105 105 PRO CA C 105 63.264 62.335 0.929 1
1 1104 . 19 1 1 A 105 105 PRO CB C 105 32.094 29.982 2.112 1
1 1 . 20 1 1 A 6 6 SER HA H 6 4.470 4.569 -0.099 1
1 3 . 20 1 1 A 6 6 SER C C 6 175.031 175.092 -0.061 1
1 4 . 20 1 1 A 6 6 SER CA C 6 58.687 59.484 -0.797 1
1 5 . 20 1 1 A 6 6 SER CB C 6 63.635 63.153 0.482 1
1 6 . 20 1 1 A 7 7 GLY H H 7 8.390 8.972 -0.582 1
1 7 . 20 1 1 A 7 7 GLY HA2 H 7 3.941 3.971 -0.030 1
1 8 . 20 1 1 A 7 7 GLY HA3 H 7 3.941 3.971 -0.030 1
1 9 . 20 1 1 A 7 7 GLY C C 7 173.892 174.398 -0.506 1
1 10 . 20 1 1 A 7 7 GLY CA C 7 45.348 46.718 -1.370 1
1 11 . 20 1 1 A 7 7 GLY N N 7 110.659 114.445 -3.786 1
1 12 . 20 1 1 A 8 8 LEU H H 8 8.017 8.151 -0.134 1
1 13 . 20 1 1 A 8 8 LEU HA H 8 4.347 4.585 -0.238 1
1 23 . 20 1 1 A 8 8 LEU C C 8 176.816 175.333 1.483 1
1 24 . 20 1 1 A 8 8 LEU CA C 8 54.760 53.807 0.953 1
1 25 . 20 1 1 A 8 8 LEU CB C 8 42.565 41.040 1.525 1
1 29 . 20 1 1 A 8 8 LEU N N 8 121.546 122.984 -1.438 1
1 30 . 20 1 1 A 9 9 ALA H H 9 8.291 8.048 0.243 1
1 31 . 20 1 1 A 9 9 ALA HA H 9 4.589 4.535 0.054 1
1 35 . 20 1 1 A 9 9 ALA C C 9 174.928 176.068 -1.140 1
1 36 . 20 1 1 A 9 9 ALA CA C 9 50.381 50.710 -0.329 1
1 37 . 20 1 1 A 9 9 ALA CB C 9 18.293 18.099 0.194 1
1 38 . 20 1 1 A 9 9 ALA N N 9 126.618 129.128 -2.510 1
1 39 . 20 1 1 A 10 10 PRO HA H 10 4.708 4.663 0.045 1
1 45 . 20 1 1 A 10 10 PRO CA C 10 61.347 62.242 -0.895 1
1 46 . 20 1 1 A 10 10 PRO CB C 10 30.783 31.777 -0.994 1
1 49 . 20 1 1 A 11 11 PRO HA H 11 4.442 4.436 0.006 1
1 56 . 20 1 1 A 11 11 PRO C C 11 176.585 176.689 -0.104 1
1 57 . 20 1 1 A 11 11 PRO CA C 11 63.016 65.073 -2.057 1
1 58 . 20 1 1 A 11 11 PRO CB C 11 32.096 32.135 -0.039 1
1 61 . 20 1 1 A 12 12 ARG H H 12 8.348 7.698 0.650 1
1 62 . 20 1 1 A 12 12 ARG HA H 12 4.405 5.027 -0.622 1
1 69 . 20 1 1 A 12 12 ARG C C 12 175.204 173.600 1.604 1
1 70 . 20 1 1 A 12 12 ARG CA C 12 55.797 54.134 1.663 1
1 71 . 20 1 1 A 12 12 ARG CB C 12 32.052 35.306 -3.254 1
1 74 . 20 1 1 A 12 12 ARG N N 12 120.519 117.780 2.739 1
1 75 . 20 1 1 A 13 13 HIS H H 13 8.296 9.041 -0.745 1
1 76 . 20 1 1 A 13 13 HIS HA H 13 4.815 5.159 -0.344 1
1 81 . 20 1 1 A 13 13 HIS C C 13 174.544 174.118 0.426 1
1 82 . 20 1 1 A 13 13 HIS CA C 13 55.783 54.686 1.097 1
1 83 . 20 1 1 A 13 13 HIS CB C 13 32.469 32.861 -0.392 1
1 86 . 20 1 1 A 13 13 HIS N N 13 118.569 121.483 -2.914 1
1 87 . 20 1 1 A 14 14 LEU H H 14 8.209 8.116 0.093 1
1 88 . 20 1 1 A 14 14 LEU HA H 14 4.655 4.881 -0.226 1
1 98 . 20 1 1 A 14 14 LEU C C 14 175.977 175.942 0.035 1
1 99 . 20 1 1 A 14 14 LEU CA C 14 53.935 53.425 0.510 1
1 100 . 20 1 1 A 14 14 LEU CB C 14 44.113 44.233 -0.120 1
1 104 . 20 1 1 A 14 14 LEU N N 14 120.625 125.107 -4.482 1
1 105 . 20 1 1 A 15 15 GLY H H 15 7.988 7.568 0.420 1
1 106 . 20 1 1 A 15 15 GLY HA2 H 15 4.008 3.312 0.696 1
1 107 . 20 1 1 A 15 15 GLY HA3 H 15 2.486 4.016 -1.530 1
1 108 . 20 1 1 A 15 15 GLY C C 15 170.056 170.976 -0.920 1
1 109 . 20 1 1 A 15 15 GLY CA C 15 43.188 43.815 -0.627 1
1 110 . 20 1 1 A 15 15 GLY N N 15 111.142 108.992 2.150 1
1 111 . 20 1 1 A 16 16 PHE H H 16 8.078 8.943 -0.865 1
1 112 . 20 1 1 A 16 16 PHE HA H 16 5.830 5.287 0.543 1
1 120 . 20 1 1 A 16 16 PHE C C 16 175.968 174.248 1.720 1
1 121 . 20 1 1 A 16 16 PHE CA C 16 56.048 56.475 -0.427 1
1 122 . 20 1 1 A 16 16 PHE CB C 16 43.353 40.794 2.559 1
1 128 . 20 1 1 A 16 16 PHE N N 16 114.388 124.007 -9.619 1
1 129 . 20 1 1 A 17 17 SER H H 17 9.811 8.722 1.089 1
1 130 . 20 1 1 A 17 17 SER HA H 17 4.883 5.081 -0.198 1
1 133 . 20 1 1 A 17 17 SER C C 17 171.638 172.924 -1.286 1
1 134 . 20 1 1 A 17 17 SER CA C 17 57.073 56.701 0.372 1
1 135 . 20 1 1 A 17 17 SER CB C 17 66.893 66.624 0.269 1
1 136 . 20 1 1 A 17 17 SER N N 17 118.688 118.834 -0.146 1
1 137 . 20 1 1 A 18 18 ASP H H 18 9.001 8.819 0.182 1
1 138 . 20 1 1 A 18 18 ASP HA H 18 4.171 4.204 -0.033 1
1 141 . 20 1 1 A 18 18 ASP C C 18 174.520 175.531 -1.011 1
1 142 . 20 1 1 A 18 18 ASP CA C 18 55.333 55.489 -0.156 1
1 143 . 20 1 1 A 18 18 ASP CB C 18 40.075 39.287 0.788 1
1 144 . 20 1 1 A 18 18 ASP N N 18 116.878 122.959 -6.081 1
1 145 . 20 1 1 A 19 19 VAL H H 19 8.202 7.991 0.211 1
1 146 . 20 1 1 A 19 19 VAL HA H 19 4.169 4.083 0.086 1
1 154 . 20 1 1 A 19 19 VAL C C 19 176.641 175.848 0.793 1
1 155 . 20 1 1 A 19 19 VAL CA C 19 63.962 63.406 0.556 1
1 156 . 20 1 1 A 19 19 VAL CB C 19 31.236 31.479 -0.243 1
1 159 . 20 1 1 A 19 19 VAL N N 19 117.253 119.587 -2.334 1
1 160 . 20 1 1 A 20 20 SER H H 20 9.066 9.082 -0.016 1
1 161 . 20 1 1 A 20 20 SER HA H 20 5.061 4.731 0.330 1
1 164 . 20 1 1 A 20 20 SER C C 20 174.081 175.291 -1.210 1
1 165 . 20 1 1 A 20 20 SER CA C 20 55.582 56.893 -1.311 1
1 166 . 20 1 1 A 20 20 SER CB C 20 65.090 65.957 -0.867 1
1 167 . 20 1 1 A 20 20 SER N N 20 126.686 122.208 4.478 1
1 168 . 20 1 1 A 21 21 HIS H H 21 8.635 8.464 0.171 1
1 169 . 20 1 1 A 21 21 HIS HA H 21 4.895 4.673 0.222 1
1 174 . 20 1 1 A 21 21 HIS C C 21 175.242 175.457 -0.215 1
1 175 . 20 1 1 A 21 21 HIS CA C 21 56.934 56.561 0.373 1
1 176 . 20 1 1 A 21 21 HIS CB C 21 30.651 29.923 0.728 1
1 179 . 20 1 1 A 21 21 HIS N N 21 117.241 120.939 -3.698 1
1 180 . 20 1 1 A 22 22 ASP H H 22 7.400 7.720 -0.320 1
1 181 . 20 1 1 A 22 22 ASP HA H 22 4.803 5.076 -0.273 1
1 184 . 20 1 1 A 22 22 ASP C C 22 176.754 174.899 1.855 1
1 185 . 20 1 1 A 22 22 ASP CA C 22 52.316 53.176 -0.860 1
1 186 . 20 1 1 A 22 22 ASP CB C 22 41.697 41.815 -0.118 1
1 187 . 20 1 1 A 22 22 ASP N N 22 115.766 115.743 0.023 1
1 188 . 20 1 1 A 23 23 ALA H H 23 7.379 7.464 -0.085 1
1 189 . 20 1 1 A 23 23 ALA HA H 23 4.753 4.593 0.160 1
1 193 . 20 1 1 A 23 23 ALA C C 23 174.757 175.072 -0.315 1
1 194 . 20 1 1 A 23 23 ALA CA C 23 51.613 51.542 0.071 1
1 195 . 20 1 1 A 23 23 ALA CB C 23 22.882 22.424 0.458 1
1 196 . 20 1 1 A 23 23 ALA N N 23 122.521 119.549 2.972 1
1 197 . 20 1 1 A 24 24 ALA H H 24 7.745 8.128 -0.383 1
1 198 . 20 1 1 A 24 24 ALA HA H 24 4.593 4.877 -0.284 1
1 202 . 20 1 1 A 24 24 ALA C C 24 173.662 175.114 -1.452 1
1 203 . 20 1 1 A 24 24 ALA CA C 24 52.233 51.783 0.450 1
1 204 . 20 1 1 A 24 24 ALA CB C 24 22.894 22.633 0.261 1
1 205 . 20 1 1 A 24 24 ALA N N 24 115.485 120.233 -4.748 1
1 206 . 20 1 1 A 25 25 ARG H H 25 8.690 8.753 -0.063 1
1 207 . 20 1 1 A 25 25 ARG HA H 25 5.209 5.033 0.176 1
1 214 . 20 1 1 A 25 25 ARG C C 25 174.777 174.790 -0.013 1
1 215 . 20 1 1 A 25 25 ARG CA C 25 55.161 55.189 -0.028 1
1 216 . 20 1 1 A 25 25 ARG CB C 25 32.329 31.703 0.626 1
1 219 . 20 1 1 A 25 25 ARG N N 25 122.853 123.831 -0.978 1
1 220 . 20 1 1 A 26 26 VAL H H 26 8.865 9.092 -0.227 1
1 221 . 20 1 1 A 26 26 VAL HA H 26 5.120 4.798 0.322 1
1 229 . 20 1 1 A 26 26 VAL C C 26 172.428 174.684 -2.256 1
1 230 . 20 1 1 A 26 26 VAL CA C 26 57.420 59.757 -2.337 1
1 231 . 20 1 1 A 26 26 VAL CB C 26 34.734 34.305 0.429 1
1 234 . 20 1 1 A 26 26 VAL N N 26 125.534 126.868 -1.334 1
1 235 . 20 1 1 A 27 27 PHE H H 27 8.520 8.525 -0.005 1
1 236 . 20 1 1 A 27 27 PHE HA H 27 5.039 5.479 -0.440 1
1 244 . 20 1 1 A 27 27 PHE C C 27 172.979 173.016 -0.037 1
1 245 . 20 1 1 A 27 27 PHE CA C 27 56.293 55.001 1.292 1
1 246 . 20 1 1 A 27 27 PHE CB C 27 42.190 42.612 -0.422 1
1 252 . 20 1 1 A 27 27 PHE N N 27 123.552 123.734 -0.182 1
1 253 . 20 1 1 A 28 28 TRP H H 28 7.813 8.153 -0.340 1
1 254 . 20 1 1 A 28 28 TRP HA H 28 5.058 5.626 -0.568 1
1 263 . 20 1 1 A 28 28 TRP C C 28 174.131 176.271 -2.140 1
1 264 . 20 1 1 A 28 28 TRP CA C 28 55.730 54.673 1.057 1
1 265 . 20 1 1 A 28 28 TRP CB C 28 30.997 32.943 -1.946 1
1 271 . 20 1 1 A 28 28 TRP N N 28 116.968 119.759 -2.791 1
1 273 . 20 1 1 A 29 29 GLU H H 29 8.362 9.108 -0.746 1
1 274 . 20 1 1 A 29 29 GLU HA H 29 4.356 4.401 -0.045 1
1 279 . 20 1 1 A 29 29 GLU C C 29 177.125 176.800 0.325 1
1 280 . 20 1 1 A 29 29 GLU CA C 29 55.820 56.562 -0.742 1
1 281 . 20 1 1 A 29 29 GLU CB C 29 31.085 29.729 1.356 1
1 283 . 20 1 1 A 29 29 GLU N N 29 119.239 118.797 0.442 1
1 284 . 20 1 1 A 30 30 GLY H H 30 8.729 8.113 0.616 1
1 285 . 20 1 1 A 30 30 GLY HA2 H 30 4.051 4.183 -0.132 1
1 286 . 20 1 1 A 30 30 GLY HA3 H 30 3.781 4.389 -0.608 1
1 287 . 20 1 1 A 30 30 GLY C C 30 173.621 172.938 0.683 1
1 288 . 20 1 1 A 30 30 GLY CA C 30 45.559 45.034 0.525 1
1 289 . 20 1 1 A 30 30 GLY N N 30 110.979 107.807 3.172 1
1 290 . 20 1 1 A 31 31 ALA H H 31 8.747 8.031 0.716 1
1 291 . 20 1 1 A 31 31 ALA HA H 31 4.577 5.001 -0.424 1
1 295 . 20 1 1 A 31 31 ALA C C 31 177.064 176.908 0.156 1
1 296 . 20 1 1 A 31 31 ALA CA C 31 50.416 50.254 0.162 1
1 297 . 20 1 1 A 31 31 ALA CB C 31 19.221 22.237 -3.016 1
1 298 . 20 1 1 A 31 31 ALA N N 31 126.357 121.667 4.690 1
1 299 . 20 1 1 A 32 32 PRO HA H 32 4.630 4.512 0.118 1
1 306 . 20 1 1 A 32 32 PRO C C 32 175.001 175.249 -0.248 1
1 307 . 20 1 1 A 32 32 PRO CA C 32 63.368 64.043 -0.675 1
1 308 . 20 1 1 A 32 32 PRO CB C 32 30.738 31.867 -1.129 1
1 311 . 20 1 1 A 33 33 ARG H H 33 7.418 7.399 0.019 1
1 312 . 20 1 1 A 33 33 ARG HA H 33 4.746 4.855 -0.109 1
1 319 . 20 1 1 A 33 33 ARG C C 33 172.695 173.694 -0.999 1
1 320 . 20 1 1 A 33 33 ARG CA C 33 53.205 53.352 -0.147 1
1 321 . 20 1 1 A 33 33 ARG CB C 33 30.414 32.553 -2.139 1
1 324 . 20 1 1 A 33 33 ARG N N 33 117.994 113.667 4.327 1
1 325 . 20 1 1 A 34 34 PRO HA H 34 4.273 4.782 -0.509 1
1 332 . 20 1 1 A 34 34 PRO C C 34 175.342 175.405 -0.063 1
1 333 . 20 1 1 A 34 34 PRO CA C 34 64.037 62.673 1.364 1
1 334 . 20 1 1 A 34 34 PRO CB C 34 32.581 32.583 -0.002 1
1 337 . 20 1 1 A 35 35 VAL H H 35 8.264 8.558 -0.294 1
1 338 . 20 1 1 A 35 35 VAL HA H 35 4.237 4.978 -0.741 1
1 346 . 20 1 1 A 35 35 VAL C C 35 175.771 176.291 -0.520 1
1 347 . 20 1 1 A 35 35 VAL CA C 35 61.890 59.651 2.239 1
1 348 . 20 1 1 A 35 35 VAL CB C 35 35.092 35.464 -0.372 1
1 351 . 20 1 1 A 35 35 VAL N N 35 122.377 122.117 0.260 1
1 352 . 20 1 1 A 36 36 ARG H H 36 9.278 8.743 0.535 1
1 353 . 20 1 1 A 36 36 ARG HA H 36 4.426 4.577 -0.151 1
1 360 . 20 1 1 A 36 36 ARG C C 36 175.620 176.096 -0.476 1
1 361 . 20 1 1 A 36 36 ARG CA C 36 57.672 56.987 0.685 1
1 362 . 20 1 1 A 36 36 ARG CB C 36 31.595 31.525 0.070 1
1 365 . 20 1 1 A 36 36 ARG N N 36 125.821 124.394 1.427 1
1 366 . 20 1 1 A 37 37 LEU H H 37 7.525 7.131 0.394 1
1 367 . 20 1 1 A 37 37 LEU HA H 37 4.403 4.869 -0.466 1
1 377 . 20 1 1 A 37 37 LEU C C 37 172.405 174.367 -1.962 1
1 378 . 20 1 1 A 37 37 LEU CA C 37 54.913 54.058 0.855 1
1 379 . 20 1 1 A 37 37 LEU CB C 37 46.166 45.958 0.208 1
1 383 . 20 1 1 A 37 37 LEU N N 37 119.761 119.398 0.363 1
1 384 . 20 1 1 A 38 38 VAL H H 38 8.513 8.944 -0.431 1
1 385 . 20 1 1 A 38 38 VAL HA H 38 4.790 4.870 -0.080 1
1 393 . 20 1 1 A 38 38 VAL C C 38 174.595 174.636 -0.041 1
1 394 . 20 1 1 A 38 38 VAL CA C 38 60.992 60.322 0.670 1
1 395 . 20 1 1 A 38 38 VAL CB C 38 33.979 35.566 -1.587 1
1 398 . 20 1 1 A 38 38 VAL N N 38 123.604 124.239 -0.635 1
1 399 . 20 1 1 A 39 39 ARG H H 39 9.025 8.921 0.104 1
1 400 . 20 1 1 A 39 39 ARG HA H 39 4.839 5.169 -0.330 1
1 407 . 20 1 1 A 39 39 ARG C C 39 174.581 174.737 -0.156 1
1 408 . 20 1 1 A 39 39 ARG CA C 39 55.150 54.504 0.646 1
1 409 . 20 1 1 A 39 39 ARG CB C 39 32.919 33.651 -0.732 1
1 412 . 20 1 1 A 39 39 ARG N N 39 126.442 125.150 1.292 1
1 413 . 20 1 1 A 40 40 VAL H H 40 9.059 9.281 -0.222 1
1 414 . 20 1 1 A 40 40 VAL HA H 40 5.177 5.335 -0.158 1
1 422 . 20 1 1 A 40 40 VAL C C 40 175.508 175.258 0.250 1
1 423 . 20 1 1 A 40 40 VAL CA C 40 60.513 61.066 -0.553 1
1 424 . 20 1 1 A 40 40 VAL CB C 40 33.390 34.977 -1.587 1
1 427 . 20 1 1 A 40 40 VAL N N 40 127.219 123.734 3.485 1
1 428 . 20 1 1 A 41 41 THR H H 41 9.244 8.978 0.266 1
1 429 . 20 1 1 A 41 41 THR HA H 41 5.056 5.180 -0.124 1
1 434 . 20 1 1 A 41 41 THR C C 41 173.323 173.424 -0.101 1
1 435 . 20 1 1 A 41 41 THR CA C 41 59.618 60.585 -0.967 1
1 436 . 20 1 1 A 41 41 THR CB C 41 71.668 71.141 0.527 1
1 438 . 20 1 1 A 41 41 THR N N 41 117.579 117.945 -0.366 1
1 439 . 20 1 1 A 42 42 TYR H H 42 7.955 8.695 -0.740 1
1 440 . 20 1 1 A 42 42 TYR HA H 42 5.825 6.293 -0.468 1
1 447 . 20 1 1 A 42 42 TYR C C 42 173.794 173.600 0.194 1
1 448 . 20 1 1 A 42 42 TYR CA C 42 54.314 55.206 -0.892 1
1 449 . 20 1 1 A 42 42 TYR CB C 42 39.788 42.298 -2.510 1
1 454 . 20 1 1 A 42 42 TYR N N 42 117.304 120.922 -3.618 1
1 455 . 20 1 1 A 43 43 VAL H H 43 8.547 8.825 -0.278 1
1 456 . 20 1 1 A 43 43 VAL HA H 43 5.069 4.776 0.293 1
1 464 . 20 1 1 A 43 43 VAL C C 43 174.912 176.401 -1.489 1
1 465 . 20 1 1 A 43 43 VAL CA C 43 60.142 60.217 -0.075 1
1 466 . 20 1 1 A 43 43 VAL CB C 43 35.329 35.452 -0.123 1
1 469 . 20 1 1 A 43 43 VAL N N 43 119.038 119.526 -0.488 1
1 470 . 20 1 1 A 44 44 SER H H 44 9.123 8.444 0.679 1
1 471 . 20 1 1 A 44 44 SER HA H 44 4.307 3.488 0.819 1
1 474 . 20 1 1 A 44 44 SER C C 44 176.777 174.428 2.349 1
1 475 . 20 1 1 A 44 44 SER CA C 44 57.838 59.886 -2.048 1
1 476 . 20 1 1 A 44 44 SER CB C 44 64.064 62.608 1.456 1
1 477 . 20 1 1 A 44 44 SER N N 44 124.942 120.503 4.439 1
1 478 . 20 1 1 A 45 45 SER H H 45 8.562 7.990 0.572 1
1 479 . 20 1 1 A 45 45 SER HA H 45 4.175 4.567 -0.392 1
1 482 . 20 1 1 A 45 45 SER C C 45 175.366 172.925 2.441 1
1 483 . 20 1 1 A 45 45 SER CA C 45 61.239 57.407 3.832 1
1 484 . 20 1 1 A 45 45 SER CB C 45 62.976 65.587 -2.611 1
1 485 . 20 1 1 A 45 45 SER N N 45 119.157 113.148 6.009 1
1 486 . 20 1 1 A 46 46 GLU H H 46 8.321 9.312 -0.991 1
1 487 . 20 1 1 A 46 46 GLU HA H 46 4.442 3.946 0.496 1
1 492 . 20 1 1 A 46 46 GLU C C 46 177.463 176.489 0.974 1
1 493 . 20 1 1 A 46 46 GLU CA C 46 56.409 57.648 -1.239 1
1 494 . 20 1 1 A 46 46 GLU CB C 46 29.633 28.259 1.374 1
1 496 . 20 1 1 A 46 46 GLU N N 46 119.112 121.215 -2.103 1
1 497 . 20 1 1 A 47 47 GLY H H 47 8.129 8.448 -0.319 1
1 498 . 20 1 1 A 47 47 GLY HA2 H 47 4.150 4.054 0.096 1
1 499 . 20 1 1 A 47 47 GLY HA3 H 47 3.646 4.061 -0.415 1
1 500 . 20 1 1 A 47 47 GLY C C 47 175.047 173.134 1.913 1
1 501 . 20 1 1 A 47 47 GLY CA C 47 45.400 44.397 1.003 1
1 502 . 20 1 1 A 47 47 GLY N N 47 109.344 104.826 4.518 1
1 503 . 20 1 1 A 48 48 GLY H H 48 7.927 8.300 -0.373 1
1 504 . 20 1 1 A 48 48 GLY HA2 H 48 3.982 4.085 -0.103 1
1 505 . 20 1 1 A 48 48 GLY HA3 H 48 3.855 4.104 -0.249 1
1 506 . 20 1 1 A 48 48 GLY C C 48 173.614 172.990 0.624 1
1 507 . 20 1 1 A 48 48 GLY CA C 48 46.073 44.203 1.870 1
1 508 . 20 1 1 A 48 48 GLY N N 48 107.840 108.285 -0.445 1
1 509 . 20 1 1 A 49 49 HIS H H 49 7.985 8.399 -0.414 1
1 510 . 20 1 1 A 49 49 HIS HA H 49 4.951 4.533 0.418 1
1 515 . 20 1 1 A 49 49 HIS C C 49 173.760 174.185 -0.425 1
1 516 . 20 1 1 A 49 49 HIS CA C 49 56.608 56.856 -0.248 1
1 517 . 20 1 1 A 49 49 HIS CB C 49 33.119 30.299 2.820 1
1 520 . 20 1 1 A 49 49 HIS N N 49 120.577 121.257 -0.680 1
1 521 . 20 1 1 A 50 50 SER H H 50 8.118 8.573 -0.455 1
1 522 . 20 1 1 A 50 50 SER HA H 50 5.184 5.047 0.137 1
1 525 . 20 1 1 A 50 50 SER C C 50 172.582 173.506 -0.924 1
1 526 . 20 1 1 A 50 50 SER CA C 50 56.463 55.962 0.501 1
1 527 . 20 1 1 A 50 50 SER CB C 50 66.423 65.918 0.505 1
1 528 . 20 1 1 A 50 50 SER N N 50 120.879 119.626 1.253 1
1 529 . 20 1 1 A 51 51 GLY H H 51 7.900 7.868 0.032 1
1 530 . 20 1 1 A 51 51 GLY HA2 H 51 4.027 3.687 0.340 1
1 531 . 20 1 1 A 51 51 GLY HA3 H 51 3.236 4.127 -0.891 1
1 532 . 20 1 1 A 51 51 GLY C C 51 171.073 172.018 -0.945 1
1 533 . 20 1 1 A 51 51 GLY CA C 51 44.696 44.616 0.080 1
1 534 . 20 1 1 A 51 51 GLY N N 51 108.215 107.524 0.691 1
1 535 . 20 1 1 A 52 52 GLN H H 52 8.256 8.584 -0.328 1
1 536 . 20 1 1 A 52 52 GLN HA H 52 5.308 5.305 0.003 1
1 543 . 20 1 1 A 52 52 GLN C C 52 174.217 173.523 0.694 1
1 544 . 20 1 1 A 52 52 GLN CA C 52 54.516 55.882 -1.366 1
1 545 . 20 1 1 A 52 52 GLN CB C 52 32.541 31.625 0.916 1
1 547 . 20 1 1 A 52 52 GLN N N 52 115.667 119.499 -3.832 1
1 549 . 20 1 1 A 53 53 THR H H 53 9.298 8.909 0.389 1
1 550 . 20 1 1 A 53 53 THR HA H 53 4.753 5.236 -0.483 1
1 555 . 20 1 1 A 53 53 THR C C 53 171.720 171.650 0.070 1
1 556 . 20 1 1 A 53 53 THR CA C 53 60.869 59.840 1.029 1
1 557 . 20 1 1 A 53 53 THR CB C 53 70.580 71.804 -1.224 1
1 559 . 20 1 1 A 53 53 THR N N 53 117.486 121.431 -3.945 1
1 560 . 20 1 1 A 54 54 GLU H H 54 8.404 9.067 -0.663 1
1 561 . 20 1 1 A 54 54 GLU HA H 54 5.378 5.528 -0.150 1
1 566 . 20 1 1 A 54 54 GLU C C 54 174.705 175.056 -0.351 1
1 567 . 20 1 1 A 54 54 GLU CA C 54 54.693 54.883 -0.190 1
1 568 . 20 1 1 A 54 54 GLU CB C 54 33.434 32.414 1.020 1
1 570 . 20 1 1 A 54 54 GLU N N 54 123.651 129.272 -5.621 1
1 571 . 20 1 1 A 55 55 ALA H H 55 9.471 8.945 0.526 1
1 572 . 20 1 1 A 55 55 ALA HA H 55 5.056 4.843 0.213 1
1 576 . 20 1 1 A 55 55 ALA C C 55 172.938 173.980 -1.042 1
1 577 . 20 1 1 A 55 55 ALA CA C 55 49.216 50.159 -0.943 1
1 578 . 20 1 1 A 55 55 ALA CB C 55 20.410 22.437 -2.027 1
1 579 . 20 1 1 A 55 55 ALA N N 55 126.815 125.122 1.693 1
1 580 . 20 1 1 A 56 56 PRO HA H 56 4.630 4.643 -0.013 1
1 587 . 20 1 1 A 56 56 PRO C C 56 176.935 177.974 -1.039 1
1 588 . 20 1 1 A 56 56 PRO CA C 56 62.303 62.795 -0.492 1
1 589 . 20 1 1 A 56 56 PRO CB C 56 32.745 32.762 -0.017 1
1 592 . 20 1 1 A 57 57 GLY H H 57 8.240 8.296 -0.056 1
1 593 . 20 1 1 A 57 57 GLY HA2 H 57 3.839 3.885 -0.046 1
1 594 . 20 1 1 A 57 57 GLY HA3 H 57 3.547 3.900 -0.353 1
1 595 . 20 1 1 A 57 57 GLY C C 57 173.839 174.720 -0.881 1
1 596 . 20 1 1 A 57 57 GLY CA C 57 47.092 46.744 0.348 1
1 597 . 20 1 1 A 57 57 GLY N N 57 104.338 110.365 -6.027 1
1 598 . 20 1 1 A 58 58 ASN H H 58 7.935 8.261 -0.326 1
1 599 . 20 1 1 A 58 58 ASN HA H 58 4.778 4.774 0.004 1
1 604 . 20 1 1 A 58 58 ASN C C 58 175.578 174.944 0.634 1
1 605 . 20 1 1 A 58 58 ASN CA C 58 52.176 52.840 -0.664 1
1 606 . 20 1 1 A 58 58 ASN CB C 58 37.384 37.655 -0.271 1
1 607 . 20 1 1 A 58 58 ASN N N 58 114.653 115.447 -0.794 1
1 609 . 20 1 1 A 59 59 ALA H H 59 8.041 7.930 0.111 1
1 610 . 20 1 1 A 59 59 ALA HA H 59 4.360 4.460 -0.100 1
1 614 . 20 1 1 A 59 59 ALA C C 59 177.738 178.439 -0.701 1
1 615 . 20 1 1 A 59 59 ALA CA C 59 52.792 50.751 2.041 1
1 616 . 20 1 1 A 59 59 ALA CB C 59 20.834 20.410 0.424 1
1 617 . 20 1 1 A 59 59 ALA N N 59 124.183 123.570 0.613 1
1 618 . 20 1 1 A 60 60 THR H H 60 8.274 8.661 -0.387 1
1 619 . 20 1 1 A 60 60 THR HA H 60 3.299 3.854 -0.555 1
1 624 . 20 1 1 A 60 60 THR C C 60 171.681 172.626 -0.945 1
1 625 . 20 1 1 A 60 60 THR CA C 60 59.732 60.325 -0.593 1
1 626 . 20 1 1 A 60 60 THR CB C 60 69.010 68.478 0.532 1
1 628 . 20 1 1 A 60 60 THR N N 60 108.095 113.088 -4.993 1
1 629 . 20 1 1 A 61 61 SER H H 61 6.728 7.297 -0.569 1
1 630 . 20 1 1 A 61 61 SER HA H 61 4.584 4.507 0.077 1
1 633 . 20 1 1 A 61 61 SER C C 61 172.948 172.644 0.304 1
1 634 . 20 1 1 A 61 61 SER CA C 61 57.403 57.447 -0.044 1
1 635 . 20 1 1 A 61 61 SER CB C 61 65.767 65.062 0.705 1
1 636 . 20 1 1 A 61 61 SER N N 61 110.991 113.339 -2.348 1
1 637 . 20 1 1 A 62 62 ALA H H 62 8.954 8.619 0.335 1
1 638 . 20 1 1 A 62 62 ALA HA H 62 4.581 4.970 -0.389 1
1 642 . 20 1 1 A 62 62 ALA C C 62 174.741 175.497 -0.756 1
1 643 . 20 1 1 A 62 62 ALA CA C 62 51.949 51.500 0.449 1
1 644 . 20 1 1 A 62 62 ALA CB C 62 21.659 23.515 -1.856 1
1 645 . 20 1 1 A 62 62 ALA N N 62 119.306 121.720 -2.414 1
1 646 . 20 1 1 A 63 63 MET H H 63 8.599 8.596 0.003 1
1 647 . 20 1 1 A 63 63 MET HA H 63 4.993 5.343 -0.350 1
1 655 . 20 1 1 A 63 63 MET C C 63 175.386 174.934 0.452 1
1 656 . 20 1 1 A 63 63 MET CA C 63 53.760 53.953 -0.193 1
1 657 . 20 1 1 A 63 63 MET CB C 63 31.842 35.366 -3.524 1
1 660 . 20 1 1 A 63 63 MET N N 63 120.537 118.676 1.861 1
1 661 . 20 1 1 A 64 64 LEU H H 64 9.244 8.302 0.942 1
1 662 . 20 1 1 A 64 64 LEU HA H 64 4.494 4.857 -0.363 1
1 672 . 20 1 1 A 64 64 LEU C C 64 175.976 175.414 0.562 1
1 673 . 20 1 1 A 64 64 LEU CA C 64 52.988 53.065 -0.077 1
1 674 . 20 1 1 A 64 64 LEU CB C 64 42.785 45.994 -3.209 1
1 678 . 20 1 1 A 64 64 LEU N N 64 124.823 121.336 3.487 1
1 679 . 20 1 1 A 65 65 GLY H H 65 7.516 8.205 -0.689 1
1 680 . 20 1 1 A 65 65 GLY HA2 H 65 4.505 4.094 0.411 1
1 681 . 20 1 1 A 65 65 GLY HA3 H 65 3.237 4.118 -0.881 1
1 682 . 20 1 1 A 65 65 GLY C C 65 170.608 172.591 -1.983 1
1 683 . 20 1 1 A 65 65 GLY CA C 65 44.505 44.319 0.186 1
1 684 . 20 1 1 A 65 65 GLY N N 65 106.855 108.324 -1.469 1
1 685 . 20 1 1 A 66 66 PRO HA H 66 4.626 4.920 -0.294 1
1 692 . 20 1 1 A 66 66 PRO C C 66 176.262 176.192 0.070 1
1 693 . 20 1 1 A 66 66 PRO CA C 66 62.542 62.814 -0.272 1
1 694 . 20 1 1 A 66 66 PRO CB C 66 34.107 32.356 1.751 1
1 697 . 20 1 1 A 67 67 LEU H H 67 8.487 8.729 -0.242 1
1 698 . 20 1 1 A 67 67 LEU HA H 67 4.586 4.959 -0.373 1
1 708 . 20 1 1 A 67 67 LEU C C 67 176.158 176.043 0.115 1
1 709 . 20 1 1 A 67 67 LEU CA C 67 52.335 53.157 -0.822 1
1 710 . 20 1 1 A 67 67 LEU CB C 67 43.440 44.060 -0.620 1
1 714 . 20 1 1 A 67 67 LEU N N 67 124.582 122.368 2.214 1
1 715 . 20 1 1 A 68 68 SER H H 68 8.958 8.778 0.180 1
1 716 . 20 1 1 A 68 68 SER HA H 68 4.529 4.927 -0.398 1
1 719 . 20 1 1 A 68 68 SER C C 68 174.360 174.221 0.139 1
1 720 . 20 1 1 A 68 68 SER CA C 68 58.649 57.456 1.193 1
1 721 . 20 1 1 A 68 68 SER CB C 68 64.239 65.399 -1.160 1
1 722 . 20 1 1 A 68 68 SER N N 68 117.670 117.687 -0.017 1
1 723 . 20 1 1 A 69 69 SER H H 69 8.511 8.713 -0.202 1
1 724 . 20 1 1 A 69 69 SER HA H 69 5.085 5.253 -0.168 1
1 727 . 20 1 1 A 69 69 SER C C 69 175.660 173.987 1.673 1
1 728 . 20 1 1 A 69 69 SER CA C 69 59.071 56.169 2.902 1
1 729 . 20 1 1 A 69 69 SER CB C 69 64.439 66.009 -1.570 1
1 730 . 20 1 1 A 69 69 SER N N 69 119.760 114.990 4.770 1
1 731 . 20 1 1 A 70 70 SER H H 70 7.974 8.756 -0.782 1
1 732 . 20 1 1 A 70 70 SER HA H 70 3.799 4.117 -0.318 1
1 735 . 20 1 1 A 70 70 SER C C 70 173.645 173.019 0.626 1
1 736 . 20 1 1 A 70 70 SER CA C 70 58.453 59.286 -0.833 1
1 737 . 20 1 1 A 70 70 SER CB C 70 62.477 62.096 0.381 1
1 738 . 20 1 1 A 70 70 SER N N 70 121.170 116.350 4.820 1
1 739 . 20 1 1 A 71 71 THR H H 71 8.325 7.733 0.592 1
1 740 . 20 1 1 A 71 71 THR HA H 71 4.482 4.720 -0.238 1
1 745 . 20 1 1 A 71 71 THR C C 71 171.950 173.395 -1.445 1
1 746 . 20 1 1 A 71 71 THR CA C 71 62.453 61.536 0.917 1
1 747 . 20 1 1 A 71 71 THR CB C 71 72.120 71.586 0.534 1
1 749 . 20 1 1 A 71 71 THR N N 71 115.265 114.827 0.438 1
1 750 . 20 1 1 A 72 72 THR H H 72 8.963 8.834 0.129 1
1 751 . 20 1 1 A 72 72 THR HA H 72 5.044 4.604 0.440 1
1 756 . 20 1 1 A 72 72 THR C C 72 173.198 174.051 -0.853 1
1 757 . 20 1 1 A 72 72 THR CA C 72 62.216 63.004 -0.788 1
1 758 . 20 1 1 A 72 72 THR CB C 72 69.392 69.621 -0.229 1
1 760 . 20 1 1 A 72 72 THR N N 72 124.221 121.284 2.937 1
1 761 . 20 1 1 A 73 73 TYR H H 73 9.711 8.843 0.868 1
1 762 . 20 1 1 A 73 73 TYR HA H 73 4.852 5.427 -0.575 1
1 767 . 20 1 1 A 73 73 TYR C C 73 175.854 175.053 0.801 1
1 768 . 20 1 1 A 73 73 TYR CA C 73 57.596 56.553 1.043 1
1 769 . 20 1 1 A 73 73 TYR CB C 73 41.377 40.829 0.548 1
1 774 . 20 1 1 A 73 73 TYR N N 73 126.553 124.154 2.399 1
1 775 . 20 1 1 A 74 74 THR H H 74 8.981 9.125 -0.144 1
1 776 . 20 1 1 A 74 74 THR HA H 74 4.648 4.601 0.047 1
1 781 . 20 1 1 A 74 74 THR C C 74 174.296 174.130 0.166 1
1 782 . 20 1 1 A 74 74 THR CA C 74 63.156 62.754 0.402 1
1 783 . 20 1 1 A 74 74 THR CB C 74 68.916 69.187 -0.271 1
1 785 . 20 1 1 A 74 74 THR N N 74 118.190 119.277 -1.087 1
1 786 . 20 1 1 A 75 75 VAL H H 75 9.376 9.170 0.206 1
1 787 . 20 1 1 A 75 75 VAL HA H 75 4.951 4.851 0.100 1
1 795 . 20 1 1 A 75 75 VAL C C 75 173.554 174.811 -1.257 1
1 796 . 20 1 1 A 75 75 VAL CA C 75 61.004 61.234 -0.230 1
1 797 . 20 1 1 A 75 75 VAL CB C 75 34.541 34.002 0.539 1
1 800 . 20 1 1 A 75 75 VAL N N 75 130.973 128.877 2.096 1
1 801 . 20 1 1 A 76 76 ARG H H 76 9.023 8.514 0.509 1
1 802 . 20 1 1 A 76 76 ARG HA H 76 5.218 5.017 0.201 1
1 809 . 20 1 1 A 76 76 ARG C C 76 175.034 174.228 0.806 1
1 810 . 20 1 1 A 76 76 ARG CA C 76 54.501 54.850 -0.349 1
1 811 . 20 1 1 A 76 76 ARG CB C 76 32.621 33.970 -1.349 1
1 814 . 20 1 1 A 76 76 ARG N N 76 126.030 126.229 -0.199 1
1 815 . 20 1 1 A 77 77 VAL H H 77 9.155 8.633 0.522 1
1 816 . 20 1 1 A 77 77 VAL HA H 77 4.165 4.234 -0.069 1
1 824 . 20 1 1 A 77 77 VAL C C 77 174.967 175.008 -0.041 1
1 825 . 20 1 1 A 77 77 VAL CA C 77 61.626 62.100 -0.474 1
1 826 . 20 1 1 A 77 77 VAL CB C 77 33.367 30.921 2.446 1
1 829 . 20 1 1 A 77 77 VAL N N 77 125.903 126.902 -0.999 1
1 830 . 20 1 1 A 78 78 THR H H 78 9.313 9.204 0.109 1
1 831 . 20 1 1 A 78 78 THR HA H 78 5.121 5.136 -0.015 1
1 836 . 20 1 1 A 78 78 THR C C 78 173.388 173.755 -0.367 1
1 837 . 20 1 1 A 78 78 THR CA C 78 61.286 61.814 -0.528 1
1 838 . 20 1 1 A 78 78 THR CB C 78 70.432 68.865 1.567 1
1 840 . 20 1 1 A 78 78 THR N N 78 126.547 123.505 3.042 1
1 841 . 20 1 1 A 79 79 CYS H H 79 8.807 8.345 0.462 1
1 842 . 20 1 1 A 79 79 CYS HA H 79 4.410 4.655 -0.245 1
1 845 . 20 1 1 A 79 79 CYS C C 79 172.501 173.843 -1.342 1
1 846 . 20 1 1 A 79 79 CYS CA C 79 58.141 57.227 0.914 1
1 847 . 20 1 1 A 79 79 CYS CB C 79 28.102 27.894 0.208 1
1 848 . 20 1 1 A 79 79 CYS N N 79 125.160 125.987 -0.827 1
1 849 . 20 1 1 A 80 80 LEU H H 80 8.417 8.580 -0.163 1
1 850 . 20 1 1 A 80 80 LEU HA H 80 4.377 4.570 -0.193 1
1 860 . 20 1 1 A 80 80 LEU C C 80 175.846 175.750 0.096 1
1 861 . 20 1 1 A 80 80 LEU CA C 80 54.400 53.467 0.933 1
1 862 . 20 1 1 A 80 80 LEU CB C 80 41.520 42.022 -0.502 1
1 866 . 20 1 1 A 80 80 LEU N N 80 123.584 126.565 -2.981 1
1 867 . 20 1 1 A 81 81 TYR H H 81 8.090 8.648 -0.558 1
1 868 . 20 1 1 A 81 81 TYR HA H 81 5.085 4.618 0.467 1
1 875 . 20 1 1 A 81 81 TYR C C 81 175.341 176.204 -0.863 1
1 876 . 20 1 1 A 81 81 TYR CA C 81 55.561 57.318 -1.757 1
1 877 . 20 1 1 A 81 81 TYR CB C 81 36.792 38.575 -1.783 1
1 882 . 20 1 1 A 81 81 TYR N N 81 123.717 125.103 -1.386 1
1 883 . 20 1 1 A 82 82 PRO HA H 82 4.358 4.512 -0.154 1
1 890 . 20 1 1 A 82 82 PRO CA C 82 64.469 64.223 0.246 1
1 891 . 20 1 1 A 82 82 PRO CB C 82 31.395 31.773 -0.378 1
1 894 . 20 1 1 A 83 83 GLY HA2 H 83 4.164 3.776 0.388 1
1 895 . 20 1 1 A 83 83 GLY HA3 H 83 3.880 3.776 0.104 1
1 896 . 20 1 1 A 83 83 GLY C C 83 174.832 175.723 -0.891 1
1 897 . 20 1 1 A 83 83 GLY CA C 83 45.437 46.988 -1.551 1
1 898 . 20 1 1 A 84 84 GLY H H 84 7.641 7.605 0.036 1
1 899 . 20 1 1 A 84 84 GLY HA2 H 84 4.581 4.050 0.531 1
1 900 . 20 1 1 A 84 84 GLY HA3 H 84 3.788 4.058 -0.270 1
1 901 . 20 1 1 A 84 84 GLY C C 84 174.354 174.877 -0.523 1
1 902 . 20 1 1 A 84 84 GLY CA C 84 44.801 45.643 -0.842 1
1 903 . 20 1 1 A 84 84 GLY N N 84 107.816 105.030 2.786 1
1 904 . 20 1 1 A 85 85 GLY H H 85 8.303 7.862 0.441 1
1 905 . 20 1 1 A 85 85 GLY HA2 H 85 4.322 4.128 0.194 1
1 906 . 20 1 1 A 85 85 GLY HA3 H 85 4.113 4.142 -0.029 1
1 907 . 20 1 1 A 85 85 GLY C C 85 172.757 173.479 -0.722 1
1 908 . 20 1 1 A 85 85 GLY CA C 85 44.602 44.452 0.150 1
1 909 . 20 1 1 A 85 85 GLY N N 85 108.998 108.381 0.617 1
1 910 . 20 1 1 A 86 86 SER H H 86 8.361 8.782 -0.421 1
1 911 . 20 1 1 A 86 86 SER HA H 86 5.024 5.119 -0.095 1
1 914 . 20 1 1 A 86 86 SER C C 86 173.484 172.247 1.237 1
1 915 . 20 1 1 A 86 86 SER CA C 86 57.738 57.840 -0.102 1
1 916 . 20 1 1 A 86 86 SER CB C 86 66.693 65.592 1.101 1
1 917 . 20 1 1 A 86 86 SER N N 86 111.910 114.175 -2.265 1
1 918 . 20 1 1 A 87 87 SER H H 87 8.105 8.328 -0.223 1
1 919 . 20 1 1 A 87 87 SER HA H 87 4.827 5.420 -0.593 1
1 922 . 20 1 1 A 87 87 SER C C 87 173.377 173.644 -0.267 1
1 923 . 20 1 1 A 87 87 SER CA C 87 57.737 56.642 1.095 1
1 924 . 20 1 1 A 87 87 SER CB C 87 65.849 65.644 0.205 1
1 925 . 20 1 1 A 87 87 SER N N 87 112.598 117.444 -4.846 1
1 926 . 20 1 1 A 88 88 THR H H 88 8.778 8.933 -0.155 1
1 927 . 20 1 1 A 88 88 THR HA H 88 5.439 4.998 0.441 1
1 932 . 20 1 1 A 88 88 THR C C 88 173.289 173.339 -0.050 1
1 933 . 20 1 1 A 88 88 THR CA C 88 62.083 61.826 0.257 1
1 934 . 20 1 1 A 88 88 THR CB C 88 72.001 71.128 0.873 1
1 936 . 20 1 1 A 88 88 THR N N 88 120.383 120.491 -0.108 1
1 937 . 20 1 1 A 89 89 LEU H H 89 8.832 8.788 0.044 1
1 938 . 20 1 1 A 89 89 LEU HA H 89 4.766 4.799 -0.033 1
1 948 . 20 1 1 A 89 89 LEU C C 89 175.440 175.962 -0.522 1
1 949 . 20 1 1 A 89 89 LEU CA C 89 53.671 53.610 0.061 1
1 950 . 20 1 1 A 89 89 LEU CB C 89 45.972 42.669 3.303 1
1 954 . 20 1 1 A 89 89 LEU N N 89 128.653 128.681 -0.028 1
1 955 . 20 1 1 A 90 90 THR H H 90 8.576 8.734 -0.158 1
1 956 . 20 1 1 A 90 90 THR HA H 90 5.622 5.065 0.557 1
1 961 . 20 1 1 A 90 90 THR C C 90 174.307 174.603 -0.296 1
1 962 . 20 1 1 A 90 90 THR CA C 90 60.799 60.582 0.217 1
1 963 . 20 1 1 A 90 90 THR CB C 90 71.589 70.329 1.260 1
1 965 . 20 1 1 A 90 90 THR N N 90 115.259 116.880 -1.621 1
1 966 . 20 1 1 A 91 91 GLY H H 91 9.071 8.320 0.751 1
1 967 . 20 1 1 A 91 91 GLY HA2 H 91 4.605 4.408 0.197 1
1 968 . 20 1 1 A 91 91 GLY HA3 H 91 3.960 4.525 -0.565 1
1 969 . 20 1 1 A 91 91 GLY C C 91 170.717 172.123 -1.406 1
1 970 . 20 1 1 A 91 91 GLY CA C 91 45.314 45.827 -0.513 1
1 971 . 20 1 1 A 91 91 GLY N N 91 112.300 109.483 2.817 1
1 972 . 20 1 1 A 92 92 ARG H H 92 8.558 8.601 -0.043 1
1 973 . 20 1 1 A 92 92 ARG HA H 92 5.594 5.039 0.555 1
1 980 . 20 1 1 A 92 92 ARG C C 92 173.260 173.874 -0.614 1
1 981 . 20 1 1 A 92 92 ARG CA C 92 54.806 54.380 0.426 1
1 982 . 20 1 1 A 92 92 ARG CB C 92 34.464 34.375 0.089 1
1 985 . 20 1 1 A 92 92 ARG N N 92 119.774 120.707 -0.933 1
1 986 . 20 1 1 A 93 93 VAL H H 93 8.430 8.664 -0.234 1
1 987 . 20 1 1 A 93 93 VAL HA H 93 4.081 4.514 -0.433 1
1 995 . 20 1 1 A 93 93 VAL C C 93 171.210 173.646 -2.436 1
1 996 . 20 1 1 A 93 93 VAL CA C 93 58.915 59.777 -0.862 1
1 997 . 20 1 1 A 93 93 VAL CB C 93 33.683 34.365 -0.682 1
1 1000 . 20 1 1 A 93 93 VAL N N 93 120.381 121.626 -1.245 1
1 1001 . 20 1 1 A 94 94 THR H H 94 8.129 8.845 -0.716 1
1 1002 . 20 1 1 A 94 94 THR HA H 94 5.342 4.732 0.610 1
1 1007 . 20 1 1 A 94 94 THR C C 94 174.637 174.478 0.159 1
1 1008 . 20 1 1 A 94 94 THR CA C 94 60.799 62.118 -1.319 1
1 1009 . 20 1 1 A 94 94 THR CB C 94 70.768 69.146 1.622 1
1 1011 . 20 1 1 A 94 94 THR N N 94 124.645 124.930 -0.285 1
1 1012 . 20 1 1 A 95 95 THR H H 95 8.906 8.585 0.321 1
1 1013 . 20 1 1 A 95 95 THR HA H 95 4.115 4.277 -0.162 1
1 1018 . 20 1 1 A 95 95 THR C C 95 175.367 174.346 1.021 1
1 1019 . 20 1 1 A 95 95 THR CA C 95 60.909 62.337 -1.428 1
1 1020 . 20 1 1 A 95 95 THR CB C 95 70.346 69.888 0.458 1
1 1022 . 20 1 1 A 95 95 THR N N 95 116.835 121.106 -4.271 1
1 1023 . 20 1 1 A 96 96 LYS H H 96 7.372 8.482 -1.110 1
1 1024 . 20 1 1 A 96 96 LYS HA H 96 4.189 4.367 -0.178 1
1 1033 . 20 1 1 A 96 96 LYS C C 96 176.308 177.380 -1.072 1
1 1034 . 20 1 1 A 96 96 LYS CA C 96 55.207 56.174 -0.967 1
1 1035 . 20 1 1 A 96 96 LYS CB C 96 34.095 33.335 0.760 1
1 1039 . 20 1 1 A 96 96 LYS N N 96 116.829 122.757 -5.928 1
1 1040 . 20 1 1 A 97 97 LYS H H 97 8.113 8.613 -0.500 1
1 1041 . 20 1 1 A 97 97 LYS HA H 97 4.356 4.403 -0.047 1
1 1050 . 20 1 1 A 97 97 LYS C C 97 176.106 176.693 -0.587 1
1 1051 . 20 1 1 A 97 97 LYS CA C 97 56.260 56.626 -0.366 1
1 1052 . 20 1 1 A 97 97 LYS CB C 97 33.140 33.040 0.100 1
1 1056 . 20 1 1 A 97 97 LYS N N 97 119.233 121.853 -2.620 1
1 1057 . 20 1 1 A 98 98 ALA H H 98 8.484 8.718 -0.234 1
1 1058 . 20 1 1 A 98 98 ALA HA H 98 4.054 4.003 0.051 1
1 1062 . 20 1 1 A 98 98 ALA C C 98 175.754 177.469 -1.715 1
1 1063 . 20 1 1 A 98 98 ALA CA C 98 50.511 50.492 0.019 1
1 1064 . 20 1 1 A 98 98 ALA CB C 98 17.093 17.781 -0.688 1
1 1065 . 20 1 1 A 98 98 ALA N N 98 126.424 126.067 0.357 1
1 1066 . 20 1 1 A 99 99 PRO HA H 99 4.313 4.364 -0.051 1
1 1073 . 20 1 1 A 99 99 PRO C C 99 176.506 176.251 0.255 1
1 1074 . 20 1 1 A 99 99 PRO CA C 99 62.584 64.378 -1.794 1
1 1075 . 20 1 1 A 99 99 PRO CB C 99 32.024 32.142 -0.118 1
1 1078 . 20 1 1 A 100 100 SER H H 100 8.377 7.515 0.862 1
1 1079 . 20 1 1 A 100 100 SER HA H 100 4.688 4.680 0.008 1
1 1082 . 20 1 1 A 100 100 SER CA C 100 56.296 56.110 0.186 1
1 1083 . 20 1 1 A 100 100 SER CB C 100 63.276 65.295 -2.019 1
1 1084 . 20 1 1 A 100 100 SER N N 100 117.700 112.718 4.982 1
1 1086 . 20 1 1 A 103 103 SER HA H 103 4.507 4.470 0.037 1
1 1089 . 20 1 1 A 103 103 SER CA C 103 58.198 59.049 -0.851 1
1 1090 . 20 1 1 A 103 103 SER CB C 103 63.882 64.147 -0.265 1
1 1091 . 20 1 1 A 104 104 GLY H H 104 8.233 7.870 0.363 1
1 1092 . 20 1 1 A 104 104 GLY HA2 H 104 4.124 4.136 -0.012 1
1 1093 . 20 1 1 A 104 104 GLY HA3 H 104 4.124 4.136 -0.012 1
1 1094 . 20 1 1 A 104 104 GLY CA C 104 44.608 43.834 0.774 1
1 1095 . 20 1 1 A 104 104 GLY N N 104 110.600 108.997 1.603 1
1 1096 . 20 1 1 A 105 105 PRO HA H 105 4.460 4.761 -0.301 1
1 1103 . 20 1 1 A 105 105 PRO CA C 105 63.264 62.712 0.552 1
1 1104 . 20 1 1 A 105 105 PRO CB C 105 32.094 31.707 0.387 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 92 0.985 1
2 1 1 1 "RMS(OBS, PRED)" CA 98 1.028 1
3 1 1 1 "RMS(OBS, PRED)" CB 85 1.289 1
4 1 1 1 "RMS(OBS, PRED)" H 86 0.446 1
5 1 1 1 "RMS(OBS, PRED)" HA 111 0.342 1
6 1 1 1 "RMS(OBS, PRED)" N 86 3.035 1
7 1 2 1 "RMS(OBS, PRED)" C 92 1.005 1
8 1 2 1 "RMS(OBS, PRED)" CA 98 1.084 1
9 1 2 1 "RMS(OBS, PRED)" CB 85 1.400 1
10 1 2 1 "RMS(OBS, PRED)" H 86 0.427 1
11 1 2 1 "RMS(OBS, PRED)" HA 111 0.331 1
12 1 2 1 "RMS(OBS, PRED)" N 86 3.044 1
13 1 3 1 "RMS(OBS, PRED)" C 92 1.048 1
14 1 3 1 "RMS(OBS, PRED)" CA 98 1.187 1
15 1 3 1 "RMS(OBS, PRED)" CB 85 1.316 1
16 1 3 1 "RMS(OBS, PRED)" H 86 0.440 1
17 1 3 1 "RMS(OBS, PRED)" HA 111 0.340 1
18 1 3 1 "RMS(OBS, PRED)" N 86 2.821 1
19 1 4 1 "RMS(OBS, PRED)" C 92 1.014 1
20 1 4 1 "RMS(OBS, PRED)" CA 98 0.920 1
21 1 4 1 "RMS(OBS, PRED)" CB 85 1.481 1
22 1 4 1 "RMS(OBS, PRED)" H 86 0.472 1
23 1 4 1 "RMS(OBS, PRED)" HA 111 0.342 1
24 1 4 1 "RMS(OBS, PRED)" N 86 2.963 1
25 1 5 1 "RMS(OBS, PRED)" C 92 1.006 1
26 1 5 1 "RMS(OBS, PRED)" CA 98 0.991 1
27 1 5 1 "RMS(OBS, PRED)" CB 85 1.307 1
28 1 5 1 "RMS(OBS, PRED)" H 86 0.433 1
29 1 5 1 "RMS(OBS, PRED)" HA 111 0.325 1
30 1 5 1 "RMS(OBS, PRED)" N 86 3.033 1
31 1 6 1 "RMS(OBS, PRED)" C 92 1.028 1
32 1 6 1 "RMS(OBS, PRED)" CA 98 1.073 1
33 1 6 1 "RMS(OBS, PRED)" CB 85 1.380 1
34 1 6 1 "RMS(OBS, PRED)" H 86 0.434 1
35 1 6 1 "RMS(OBS, PRED)" HA 111 0.342 1
36 1 6 1 "RMS(OBS, PRED)" N 86 3.087 1
37 1 7 1 "RMS(OBS, PRED)" C 92 1.070 1
38 1 7 1 "RMS(OBS, PRED)" CA 98 0.994 1
39 1 7 1 "RMS(OBS, PRED)" CB 85 1.405 1
40 1 7 1 "RMS(OBS, PRED)" H 86 0.445 1
41 1 7 1 "RMS(OBS, PRED)" HA 111 0.366 1
42 1 7 1 "RMS(OBS, PRED)" N 86 2.959 1
43 1 8 1 "RMS(OBS, PRED)" C 92 0.942 1
44 1 8 1 "RMS(OBS, PRED)" CA 98 1.031 1
45 1 8 1 "RMS(OBS, PRED)" CB 85 1.363 1
46 1 8 1 "RMS(OBS, PRED)" H 86 0.442 1
47 1 8 1 "RMS(OBS, PRED)" HA 111 0.321 1
48 1 8 1 "RMS(OBS, PRED)" N 86 3.112 1
49 1 9 1 "RMS(OBS, PRED)" C 92 1.051 1
50 1 9 1 "RMS(OBS, PRED)" CA 98 0.967 1
51 1 9 1 "RMS(OBS, PRED)" CB 85 1.378 1
52 1 9 1 "RMS(OBS, PRED)" H 86 0.434 1
53 1 9 1 "RMS(OBS, PRED)" HA 111 0.373 1
54 1 9 1 "RMS(OBS, PRED)" N 86 2.944 1
55 1 10 1 "RMS(OBS, PRED)" C 92 1.113 1
56 1 10 1 "RMS(OBS, PRED)" CA 98 1.247 1
57 1 10 1 "RMS(OBS, PRED)" CB 85 1.477 1
58 1 10 1 "RMS(OBS, PRED)" H 86 0.474 1
59 1 10 1 "RMS(OBS, PRED)" HA 111 0.345 1
60 1 10 1 "RMS(OBS, PRED)" N 86 3.078 1
61 1 11 1 "RMS(OBS, PRED)" C 92 1.095 1
62 1 11 1 "RMS(OBS, PRED)" CA 98 0.981 1
63 1 11 1 "RMS(OBS, PRED)" CB 85 1.417 1
64 1 11 1 "RMS(OBS, PRED)" H 86 0.433 1
65 1 11 1 "RMS(OBS, PRED)" HA 111 0.350 1
66 1 11 1 "RMS(OBS, PRED)" N 86 3.038 1
67 1 12 1 "RMS(OBS, PRED)" C 92 0.993 1
68 1 12 1 "RMS(OBS, PRED)" CA 98 1.110 1
69 1 12 1 "RMS(OBS, PRED)" CB 85 1.357 1
70 1 12 1 "RMS(OBS, PRED)" H 86 0.459 1
71 1 12 1 "RMS(OBS, PRED)" HA 111 0.373 1
72 1 12 1 "RMS(OBS, PRED)" N 86 2.814 1
73 1 13 1 "RMS(OBS, PRED)" C 92 0.969 1
74 1 13 1 "RMS(OBS, PRED)" CA 98 0.914 1
75 1 13 1 "RMS(OBS, PRED)" CB 85 1.320 1
76 1 13 1 "RMS(OBS, PRED)" H 86 0.470 1
77 1 13 1 "RMS(OBS, PRED)" HA 111 0.334 1
78 1 13 1 "RMS(OBS, PRED)" N 86 3.166 1
79 1 14 1 "RMS(OBS, PRED)" C 92 1.079 1
80 1 14 1 "RMS(OBS, PRED)" CA 98 1.268 1
81 1 14 1 "RMS(OBS, PRED)" CB 85 1.450 1
82 1 14 1 "RMS(OBS, PRED)" H 86 0.465 1
83 1 14 1 "RMS(OBS, PRED)" HA 111 0.351 1
84 1 14 1 "RMS(OBS, PRED)" N 86 3.292 1
85 1 15 1 "RMS(OBS, PRED)" C 92 0.958 1
86 1 15 1 "RMS(OBS, PRED)" CA 98 1.083 1
87 1 15 1 "RMS(OBS, PRED)" CB 85 1.234 1
88 1 15 1 "RMS(OBS, PRED)" H 86 0.443 1
89 1 15 1 "RMS(OBS, PRED)" HA 111 0.379 1
90 1 15 1 "RMS(OBS, PRED)" N 86 2.995 1
91 1 16 1 "RMS(OBS, PRED)" C 92 1.030 1
92 1 16 1 "RMS(OBS, PRED)" CA 98 1.039 1
93 1 16 1 "RMS(OBS, PRED)" CB 85 1.292 1
94 1 16 1 "RMS(OBS, PRED)" H 86 0.435 1
95 1 16 1 "RMS(OBS, PRED)" HA 111 0.351 1
96 1 16 1 "RMS(OBS, PRED)" N 86 2.971 1
97 1 17 1 "RMS(OBS, PRED)" C 92 1.026 1
98 1 17 1 "RMS(OBS, PRED)" CA 98 1.011 1
99 1 17 1 "RMS(OBS, PRED)" CB 85 1.450 1
100 1 17 1 "RMS(OBS, PRED)" H 86 0.447 1
101 1 17 1 "RMS(OBS, PRED)" HA 111 0.343 1
102 1 17 1 "RMS(OBS, PRED)" N 86 3.263 1
103 1 18 1 "RMS(OBS, PRED)" C 92 0.964 1
104 1 18 1 "RMS(OBS, PRED)" CA 98 0.973 1
105 1 18 1 "RMS(OBS, PRED)" CB 85 1.398 1
106 1 18 1 "RMS(OBS, PRED)" H 86 0.439 1
107 1 18 1 "RMS(OBS, PRED)" HA 111 0.354 1
108 1 18 1 "RMS(OBS, PRED)" N 86 3.268 1
109 1 19 1 "RMS(OBS, PRED)" C 92 0.941 1
110 1 19 1 "RMS(OBS, PRED)" CA 98 1.047 1
111 1 19 1 "RMS(OBS, PRED)" CB 85 1.375 1
112 1 19 1 "RMS(OBS, PRED)" H 86 0.469 1
113 1 19 1 "RMS(OBS, PRED)" HA 111 0.314 1
114 1 19 1 "RMS(OBS, PRED)" N 86 2.827 1
115 1 20 1 "RMS(OBS, PRED)" C 92 1.031 1
116 1 20 1 "RMS(OBS, PRED)" CA 98 1.049 1
117 1 20 1 "RMS(OBS, PRED)" CB 85 1.363 1
118 1 20 1 "RMS(OBS, PRED)" H 86 0.480 1
119 1 20 1 "RMS(OBS, PRED)" HA 111 0.337 1
120 1 20 1 "RMS(OBS, PRED)" N 86 3.115 1
stop_
save_
save_delta_chem_shifts_average
_Entity_delta_chem_shifts.Sf_category delta_chem_shifts
_Entity_delta_chem_shifts.Sf_framecode delta_chem_shifts_average
_Entity_delta_chem_shifts.Conformer_type "average"
_Entity_delta_chem_shifts.ID 2
_Entity_delta_chem_shifts.Details
;
This saveframe contains the averaged SPARTA chemical shift over all the models used.
;
loop_
_Delta_CS.Assigned_chem_shift_list_ID
_Delta_CS.Atom_chem_shift_ID
_Delta_CS.Assembly_atom_ID
_Delta_CS.Entity_assembly_ID
_Delta_CS.Entity_ID
_Delta_CS.PDB_asym_ID
_Delta_CS.Comp_index_ID
_Delta_CS.Seq_ID
_Delta_CS.Comp_ID
_Delta_CS.Atom_ID
_Delta_CS.Atom_type
_Delta_CS.Auth_seq_ID
_Delta_CS.Original_CS_value
_Delta_CS.Sparta_CS_value
_Delta_CS.Delta_CS_value
_Delta_CS.Entity_delta_chem_shifts_ID
1 1 . 1 1 A 6 6 SER HA H 6 4.470 4.621 -0.151 2
1 3 . 1 1 A 6 6 SER C C 6 175.031 174.196 0.835 2
1 4 . 1 1 A 6 6 SER CA C 6 58.687 58.597 0.090 2
1 5 . 1 1 A 6 6 SER CB C 6 63.635 63.740 -0.105 2
1 6 . 1 1 A 7 7 GLY H H 7 8.390 8.315 0.075 2
1 7 . 1 1 A 7 7 GLY HA2 H 7 3.941 4.108 -0.167 2
1 8 . 1 1 A 7 7 GLY HA3 H 7 3.941 4.108 -0.167 2
1 9 . 1 1 A 7 7 GLY C C 7 173.892 173.304 0.587 2
1 10 . 1 1 A 7 7 GLY CA C 7 45.348 45.507 -0.159 2
1 11 . 1 1 A 7 7 GLY N N 7 110.659 110.631 0.028 2
1 12 . 1 1 A 8 8 LEU H H 8 8.017 8.405 -0.388 2
1 13 . 1 1 A 8 8 LEU HA H 8 4.347 4.737 -0.390 2
1 23 . 1 1 A 8 8 LEU C C 8 176.816 175.645 1.171 2
1 24 . 1 1 A 8 8 LEU CA C 8 54.760 54.048 0.712 2
1 25 . 1 1 A 8 8 LEU CB C 8 42.565 43.480 -0.916 2
1 29 . 1 1 A 8 8 LEU N N 8 121.546 122.783 -1.237 2
1 30 . 1 1 A 9 9 ALA H H 9 8.291 8.488 -0.197 2
1 31 . 1 1 A 9 9 ALA HA H 9 4.589 4.676 -0.087 2
1 35 . 1 1 A 9 9 ALA C C 9 174.928 175.007 -0.079 2
1 36 . 1 1 A 9 9 ALA CA C 9 50.381 50.110 0.271 2
1 37 . 1 1 A 9 9 ALA CB C 9 18.293 20.570 -2.277 2
1 38 . 1 1 A 9 9 ALA N N 9 126.618 125.055 1.563 2
1 39 . 1 1 A 10 10 PRO HA H 10 4.708 4.655 0.053 2
1 45 . 1 1 A 10 10 PRO CA C 10 61.347 61.993 -0.646 2
1 46 . 1 1 A 10 10 PRO CB C 10 30.783 32.099 -1.316 2
1 49 . 1 1 A 11 11 PRO HA H 11 4.442 4.382 0.060 2
1 56 . 1 1 A 11 11 PRO C C 11 176.585 176.577 0.008 2
1 57 . 1 1 A 11 11 PRO CA C 11 63.016 64.994 -1.978 2
1 58 . 1 1 A 11 11 PRO CB C 11 32.096 32.204 -0.108 2
1 61 . 1 1 A 12 12 ARG H H 12 8.348 7.660 0.688 2
1 62 . 1 1 A 12 12 ARG HA H 12 4.405 4.945 -0.540 2
1 69 . 1 1 A 12 12 ARG C C 12 175.204 174.390 0.814 2
1 70 . 1 1 A 12 12 ARG CA C 12 55.797 54.161 1.636 2
1 71 . 1 1 A 12 12 ARG CB C 12 32.052 34.893 -2.841 2
1 74 . 1 1 A 12 12 ARG N N 12 120.519 117.779 2.740 2
1 75 . 1 1 A 13 13 HIS H H 13 8.296 8.792 -0.496 2
1 76 . 1 1 A 13 13 HIS HA H 13 4.815 5.160 -0.345 2
1 81 . 1 1 A 13 13 HIS C C 13 174.544 174.806 -0.262 2
1 82 . 1 1 A 13 13 HIS CA C 13 55.783 54.807 0.975 2
1 83 . 1 1 A 13 13 HIS CB C 13 32.469 32.562 -0.093 2
1 86 . 1 1 A 13 13 HIS N N 13 118.569 118.492 0.077 2
1 87 . 1 1 A 14 14 LEU H H 14 8.209 8.357 -0.148 2
1 88 . 1 1 A 14 14 LEU HA H 14 4.655 4.802 -0.147 2
1 98 . 1 1 A 14 14 LEU C C 14 175.977 175.977 -0.000 2
1 99 . 1 1 A 14 14 LEU CA C 14 53.935 53.568 0.367 2
1 100 . 1 1 A 14 14 LEU CB C 14 44.113 43.859 0.254 2
1 104 . 1 1 A 14 14 LEU N N 14 120.625 122.807 -2.182 2
1 105 . 1 1 A 15 15 GLY H H 15 7.988 7.700 0.288 2
1 106 . 1 1 A 15 15 GLY HA2 H 15 4.008 3.209 0.799 2
1 107 . 1 1 A 15 15 GLY HA3 H 15 2.486 3.923 -1.437 2
1 108 . 1 1 A 15 15 GLY C C 15 170.056 170.935 -0.879 2
1 109 . 1 1 A 15 15 GLY CA C 15 43.188 43.987 -0.799 2
1 110 . 1 1 A 15 15 GLY N N 15 111.142 108.359 2.783 2
1 111 . 1 1 A 16 16 PHE H H 16 8.078 8.705 -0.627 2
1 112 . 1 1 A 16 16 PHE HA H 16 5.830 5.408 0.422 2
1 120 . 1 1 A 16 16 PHE C C 16 175.968 174.597 1.371 2
1 121 . 1 1 A 16 16 PHE CA C 16 56.048 56.260 -0.212 2
1 122 . 1 1 A 16 16 PHE CB C 16 43.353 41.363 1.990 2
1 128 . 1 1 A 16 16 PHE N N 16 114.388 122.775 -8.387 2
1 129 . 1 1 A 17 17 SER H H 17 9.811 8.874 0.937 2
1 130 . 1 1 A 17 17 SER HA H 17 4.883 5.070 -0.187 2
1 133 . 1 1 A 17 17 SER C C 17 171.638 173.228 -1.590 2
1 134 . 1 1 A 17 17 SER CA C 17 57.073 56.441 0.632 2
1 135 . 1 1 A 17 17 SER CB C 17 66.893 66.755 0.138 2
1 136 . 1 1 A 17 17 SER N N 17 118.688 117.690 0.998 2
1 137 . 1 1 A 18 18 ASP H H 18 9.001 8.904 0.097 2
1 138 . 1 1 A 18 18 ASP HA H 18 4.171 4.192 -0.021 2
1 141 . 1 1 A 18 18 ASP C C 18 174.520 175.269 -0.749 2
1 142 . 1 1 A 18 18 ASP CA C 18 55.333 55.046 0.287 2
1 143 . 1 1 A 18 18 ASP CB C 18 40.075 39.634 0.441 2
1 144 . 1 1 A 18 18 ASP N N 18 116.878 122.378 -5.500 2
1 145 . 1 1 A 19 19 VAL H H 19 8.202 7.992 0.210 2
1 146 . 1 1 A 19 19 VAL HA H 19 4.169 4.077 0.092 2
1 154 . 1 1 A 19 19 VAL C C 19 176.641 175.432 1.209 2
1 155 . 1 1 A 19 19 VAL CA C 19 63.962 63.282 0.680 2
1 156 . 1 1 A 19 19 VAL CB C 19 31.236 31.764 -0.528 2
1 159 . 1 1 A 19 19 VAL N N 19 117.253 119.848 -2.595 2
1 160 . 1 1 A 20 20 SER H H 20 9.066 8.902 0.164 2
1 161 . 1 1 A 20 20 SER HA H 20 5.061 4.864 0.197 2
1 164 . 1 1 A 20 20 SER C C 20 174.081 175.057 -0.976 2
1 165 . 1 1 A 20 20 SER CA C 20 55.582 56.678 -1.096 2
1 166 . 1 1 A 20 20 SER CB C 20 65.090 66.293 -1.203 2
1 167 . 1 1 A 20 20 SER N N 20 126.686 121.174 5.512 2
1 168 . 1 1 A 21 21 HIS H H 21 8.635 8.475 0.161 2
1 169 . 1 1 A 21 21 HIS HA H 21 4.895 4.710 0.185 2
1 174 . 1 1 A 21 21 HIS C C 21 175.242 175.373 -0.131 2
1 175 . 1 1 A 21 21 HIS CA C 21 56.934 56.822 0.112 2
1 176 . 1 1 A 21 21 HIS CB C 21 30.651 29.885 0.766 2
1 179 . 1 1 A 21 21 HIS N N 21 117.241 121.063 -3.822 2
1 180 . 1 1 A 22 22 ASP H H 22 7.400 7.757 -0.357 2
1 181 . 1 1 A 22 22 ASP HA H 22 4.803 5.006 -0.203 2
1 184 . 1 1 A 22 22 ASP C C 22 176.754 174.911 1.843 2
1 185 . 1 1 A 22 22 ASP CA C 22 52.316 53.330 -1.014 2
1 186 . 1 1 A 22 22 ASP CB C 22 41.697 41.936 -0.239 2
1 187 . 1 1 A 22 22 ASP N N 22 115.766 117.106 -1.340 2
1 188 . 1 1 A 23 23 ALA H H 23 7.379 7.459 -0.080 2
1 189 . 1 1 A 23 23 ALA HA H 23 4.753 4.577 0.176 2
1 193 . 1 1 A 23 23 ALA C C 23 174.757 175.059 -0.302 2
1 194 . 1 1 A 23 23 ALA CA C 23 51.613 51.574 0.039 2
1 195 . 1 1 A 23 23 ALA CB C 23 22.882 22.366 0.516 2
1 196 . 1 1 A 23 23 ALA N N 23 122.521 119.437 3.084 2
1 197 . 1 1 A 24 24 ALA H H 24 7.745 8.115 -0.370 2
1 198 . 1 1 A 24 24 ALA HA H 24 4.593 4.868 -0.275 2
1 202 . 1 1 A 24 24 ALA C C 24 173.662 175.191 -1.529 2
1 203 . 1 1 A 24 24 ALA CA C 24 52.233 51.757 0.476 2
1 204 . 1 1 A 24 24 ALA CB C 24 22.894 22.585 0.309 2
1 205 . 1 1 A 24 24 ALA N N 24 115.485 120.230 -4.745 2
1 206 . 1 1 A 25 25 ARG H H 25 8.690 8.529 0.161 2
1 207 . 1 1 A 25 25 ARG HA H 25 5.209 4.859 0.350 2
1 214 . 1 1 A 25 25 ARG C C 25 174.777 174.881 -0.104 2
1 215 . 1 1 A 25 25 ARG CA C 25 55.161 55.364 -0.203 2
1 216 . 1 1 A 25 25 ARG CB C 25 32.329 31.592 0.737 2
1 219 . 1 1 A 25 25 ARG N N 25 122.853 123.836 -0.983 2
1 220 . 1 1 A 26 26 VAL H H 26 8.865 9.041 -0.176 2
1 221 . 1 1 A 26 26 VAL HA H 26 5.120 4.813 0.307 2
1 229 . 1 1 A 26 26 VAL C C 26 172.428 174.953 -2.525 2
1 230 . 1 1 A 26 26 VAL CA C 26 57.420 60.027 -2.607 2
1 231 . 1 1 A 26 26 VAL CB C 26 34.734 34.272 0.462 2
1 234 . 1 1 A 26 26 VAL N N 26 125.534 127.124 -1.590 2
1 235 . 1 1 A 27 27 PHE H H 27 8.520 8.672 -0.152 2
1 236 . 1 1 A 27 27 PHE HA H 27 5.039 5.244 -0.205 2
1 244 . 1 1 A 27 27 PHE C C 27 172.979 172.922 0.057 2
1 245 . 1 1 A 27 27 PHE CA C 27 56.293 55.031 1.262 2
1 246 . 1 1 A 27 27 PHE CB C 27 42.190 42.271 -0.081 2
1 252 . 1 1 A 27 27 PHE N N 27 123.552 123.238 0.314 2
1 253 . 1 1 A 28 28 TRP H H 28 7.813 7.990 -0.177 2
1 254 . 1 1 A 28 28 TRP HA H 28 5.058 5.531 -0.473 2
1 263 . 1 1 A 28 28 TRP C C 28 174.131 176.090 -1.960 2
1 264 . 1 1 A 28 28 TRP CA C 28 55.730 54.631 1.099 2
1 265 . 1 1 A 28 28 TRP CB C 28 30.997 32.597 -1.600 2
1 271 . 1 1 A 28 28 TRP N N 28 116.968 118.968 -2.000 2
1 273 . 1 1 A 29 29 GLU H H 29 8.362 9.047 -0.685 2
1 274 . 1 1 A 29 29 GLU HA H 29 4.356 4.461 -0.105 2
1 279 . 1 1 A 29 29 GLU C C 29 177.125 176.838 0.287 2
1 280 . 1 1 A 29 29 GLU CA C 29 55.820 56.349 -0.529 2
1 281 . 1 1 A 29 29 GLU CB C 29 31.085 29.821 1.264 2
1 283 . 1 1 A 29 29 GLU N N 29 119.239 118.390 0.849 2
1 284 . 1 1 A 30 30 GLY H H 30 8.729 8.215 0.514 2
1 285 . 1 1 A 30 30 GLY HA2 H 30 4.051 4.194 -0.143 2
1 286 . 1 1 A 30 30 GLY HA3 H 30 3.781 4.402 -0.622 2
1 287 . 1 1 A 30 30 GLY C C 30 173.621 172.923 0.698 2
1 288 . 1 1 A 30 30 GLY CA C 30 45.559 44.906 0.653 2
1 289 . 1 1 A 30 30 GLY N N 30 110.979 108.007 2.972 2
1 290 . 1 1 A 31 31 ALA H H 31 8.747 8.193 0.554 2
1 291 . 1 1 A 31 31 ALA HA H 31 4.577 4.918 -0.341 2
1 295 . 1 1 A 31 31 ALA C C 31 177.064 177.376 -0.312 2
1 296 . 1 1 A 31 31 ALA CA C 31 50.416 50.105 0.311 2
1 297 . 1 1 A 31 31 ALA CB C 31 19.221 21.044 -1.823 2
1 298 . 1 1 A 31 31 ALA N N 31 126.357 122.279 4.078 2
1 299 . 1 1 A 32 32 PRO HA H 32 4.630 4.491 0.139 2
1 306 . 1 1 A 32 32 PRO C C 32 175.001 175.247 -0.246 2
1 307 . 1 1 A 32 32 PRO CA C 32 63.368 63.980 -0.612 2
1 308 . 1 1 A 32 32 PRO CB C 32 30.738 31.610 -0.872 2
1 311 . 1 1 A 33 33 ARG H H 33 7.418 7.410 0.008 2
1 312 . 1 1 A 33 33 ARG HA H 33 4.746 4.821 -0.075 2
1 319 . 1 1 A 33 33 ARG C C 33 172.695 173.663 -0.968 2
1 320 . 1 1 A 33 33 ARG CA C 33 53.205 53.533 -0.328 2
1 321 . 1 1 A 33 33 ARG CB C 33 30.414 32.469 -2.055 2
1 324 . 1 1 A 33 33 ARG N N 33 117.994 114.285 3.709 2
1 325 . 1 1 A 34 34 PRO HA H 34 4.273 4.744 -0.471 2
1 332 . 1 1 A 34 34 PRO C C 34 175.342 175.906 -0.565 2
1 333 . 1 1 A 34 34 PRO CA C 34 64.037 62.603 1.434 2
1 334 . 1 1 A 34 34 PRO CB C 34 32.581 32.514 0.067 2
1 337 . 1 1 A 35 35 VAL H H 35 8.264 8.616 -0.351 2
1 338 . 1 1 A 35 35 VAL HA H 35 4.237 4.895 -0.658 2
1 346 . 1 1 A 35 35 VAL C C 35 175.771 176.193 -0.422 2
1 347 . 1 1 A 35 35 VAL CA C 35 61.890 60.301 1.589 2
1 348 . 1 1 A 35 35 VAL CB C 35 35.092 35.548 -0.456 2
1 351 . 1 1 A 35 35 VAL N N 35 122.377 122.235 0.142 2
1 352 . 1 1 A 36 36 ARG H H 36 9.278 8.412 0.867 2
1 353 . 1 1 A 36 36 ARG HA H 36 4.426 4.513 -0.087 2
1 360 . 1 1 A 36 36 ARG C C 36 175.620 176.052 -0.432 2
1 361 . 1 1 A 36 36 ARG CA C 36 57.672 57.080 0.592 2
1 362 . 1 1 A 36 36 ARG CB C 36 31.595 31.461 0.134 2
1 365 . 1 1 A 36 36 ARG N N 36 125.821 123.258 2.563 2
1 366 . 1 1 A 37 37 LEU H H 37 7.525 7.116 0.409 2
1 367 . 1 1 A 37 37 LEU HA H 37 4.403 4.806 -0.403 2
1 377 . 1 1 A 37 37 LEU C C 37 172.405 174.220 -1.816 2
1 378 . 1 1 A 37 37 LEU CA C 37 54.913 54.174 0.739 2
1 379 . 1 1 A 37 37 LEU CB C 37 46.166 45.760 0.406 2
1 383 . 1 1 A 37 37 LEU N N 37 119.761 119.364 0.397 2
1 384 . 1 1 A 38 38 VAL H H 38 8.513 8.807 -0.294 2
1 385 . 1 1 A 38 38 VAL HA H 38 4.790 4.782 0.008 2
1 393 . 1 1 A 38 38 VAL C C 38 174.595 174.553 0.042 2
1 394 . 1 1 A 38 38 VAL CA C 38 60.992 61.035 -0.043 2
1 395 . 1 1 A 38 38 VAL CB C 38 33.979 34.775 -0.796 2
1 398 . 1 1 A 38 38 VAL N N 38 123.604 124.688 -1.084 2
1 399 . 1 1 A 39 39 ARG H H 39 9.025 9.081 -0.056 2
1 400 . 1 1 A 39 39 ARG HA H 39 4.839 5.017 -0.178 2
1 407 . 1 1 A 39 39 ARG C C 39 174.581 174.927 -0.346 2
1 408 . 1 1 A 39 39 ARG CA C 39 55.150 54.835 0.315 2
1 409 . 1 1 A 39 39 ARG CB C 39 32.919 32.559 0.360 2
1 412 . 1 1 A 39 39 ARG N N 39 126.442 127.826 -1.384 2
1 413 . 1 1 A 40 40 VAL H H 40 9.059 9.045 0.014 2
1 414 . 1 1 A 40 40 VAL HA H 40 5.177 5.049 0.128 2
1 422 . 1 1 A 40 40 VAL C C 40 175.508 175.302 0.206 2
1 423 . 1 1 A 40 40 VAL CA C 40 60.513 61.373 -0.860 2
1 424 . 1 1 A 40 40 VAL CB C 40 33.390 33.734 -0.344 2
1 427 . 1 1 A 40 40 VAL N N 40 127.219 125.631 1.588 2
1 428 . 1 1 A 41 41 THR H H 41 9.244 9.075 0.169 2
1 429 . 1 1 A 41 41 THR HA H 41 5.056 5.282 -0.226 2
1 434 . 1 1 A 41 41 THR C C 41 173.323 173.347 -0.024 2
1 435 . 1 1 A 41 41 THR CA C 41 59.618 60.539 -0.921 2
1 436 . 1 1 A 41 41 THR CB C 41 71.668 71.170 0.498 2
1 438 . 1 1 A 41 41 THR N N 41 117.579 118.483 -0.904 2
1 439 . 1 1 A 42 42 TYR H H 42 7.955 8.341 -0.386 2
1 440 . 1 1 A 42 42 TYR HA H 42 5.825 6.120 -0.295 2
1 447 . 1 1 A 42 42 TYR C C 42 173.794 173.600 0.194 2
1 448 . 1 1 A 42 42 TYR CA C 42 54.314 55.213 -0.899 2
1 449 . 1 1 A 42 42 TYR CB C 42 39.788 42.258 -2.470 2
1 454 . 1 1 A 42 42 TYR N N 42 117.304 119.942 -2.638 2
1 455 . 1 1 A 43 43 VAL H H 43 8.547 8.697 -0.150 2
1 456 . 1 1 A 43 43 VAL HA H 43 5.069 4.753 0.316 2
1 464 . 1 1 A 43 43 VAL C C 43 174.912 173.995 0.917 2
1 465 . 1 1 A 43 43 VAL CA C 43 60.142 60.426 -0.284 2
1 466 . 1 1 A 43 43 VAL CB C 43 35.329 35.468 -0.139 2
1 469 . 1 1 A 43 43 VAL N N 43 119.038 121.025 -1.987 2
1 470 . 1 1 A 44 44 SER H H 44 9.123 8.522 0.601 2
1 471 . 1 1 A 44 44 SER HA H 44 4.307 3.454 0.853 2
1 474 . 1 1 A 44 44 SER C C 44 176.777 174.885 1.892 2
1 475 . 1 1 A 44 44 SER CA C 44 57.838 57.876 -0.038 2
1 476 . 1 1 A 44 44 SER CB C 44 64.064 63.886 0.178 2
1 477 . 1 1 A 44 44 SER N N 44 124.942 121.208 3.734 2
1 478 . 1 1 A 45 45 SER H H 45 8.562 8.359 0.203 2
1 479 . 1 1 A 45 45 SER HA H 45 4.175 4.142 0.033 2
1 482 . 1 1 A 45 45 SER C C 45 175.366 174.860 0.506 2
1 483 . 1 1 A 45 45 SER CA C 45 61.239 60.433 0.806 2
1 484 . 1 1 A 45 45 SER CB C 45 62.976 63.304 -0.328 2
1 485 . 1 1 A 45 45 SER N N 45 119.157 117.730 1.427 2
1 486 . 1 1 A 46 46 GLU H H 46 8.321 8.199 0.122 2
1 487 . 1 1 A 46 46 GLU HA H 46 4.442 4.265 0.177 2
1 492 . 1 1 A 46 46 GLU C C 46 177.463 176.606 0.857 2
1 493 . 1 1 A 46 46 GLU CA C 46 56.409 56.329 0.080 2
1 494 . 1 1 A 46 46 GLU CB C 46 29.633 29.381 0.252 2
1 496 . 1 1 A 46 46 GLU N N 46 119.112 118.501 0.611 2
1 497 . 1 1 A 47 47 GLY H H 47 8.129 8.135 -0.006 2
1 498 . 1 1 A 47 47 GLY HA2 H 47 4.150 3.929 0.221 2
1 499 . 1 1 A 47 47 GLY HA3 H 47 3.646 3.942 -0.296 2
1 500 . 1 1 A 47 47 GLY C C 47 175.047 174.323 0.724 2
1 501 . 1 1 A 47 47 GLY CA C 47 45.400 46.031 -0.631 2
1 502 . 1 1 A 47 47 GLY N N 47 109.344 108.253 1.091 2
1 503 . 1 1 A 48 48 GLY H H 48 7.927 8.250 -0.323 2
1 504 . 1 1 A 48 48 GLY HA2 H 48 3.982 4.087 -0.105 2
1 505 . 1 1 A 48 48 GLY HA3 H 48 3.855 4.098 -0.243 2
1 506 . 1 1 A 48 48 GLY C C 48 173.614 173.220 0.394 2
1 507 . 1 1 A 48 48 GLY CA C 48 46.073 45.613 0.460 2
1 508 . 1 1 A 48 48 GLY N N 48 107.840 109.349 -1.509 2
1 509 . 1 1 A 49 49 HIS H H 49 7.985 8.147 -0.162 2
1 510 . 1 1 A 49 49 HIS HA H 49 4.951 4.786 0.165 2
1 515 . 1 1 A 49 49 HIS C C 49 173.760 173.882 -0.122 2
1 516 . 1 1 A 49 49 HIS CA C 49 56.608 55.748 0.860 2
1 517 . 1 1 A 49 49 HIS CB C 49 33.119 31.074 2.045 2
1 520 . 1 1 A 49 49 HIS N N 49 120.577 121.885 -1.308 2
1 521 . 1 1 A 50 50 SER H H 50 8.118 8.680 -0.562 2
1 522 . 1 1 A 50 50 SER HA H 50 5.184 4.974 0.210 2
1 525 . 1 1 A 50 50 SER C C 50 172.582 173.105 -0.523 2
1 526 . 1 1 A 50 50 SER CA C 50 56.463 56.406 0.057 2
1 527 . 1 1 A 50 50 SER CB C 50 66.423 66.244 0.179 2
1 528 . 1 1 A 50 50 SER N N 50 120.879 120.302 0.577 2
1 529 . 1 1 A 51 51 GLY H H 51 7.900 7.921 -0.021 2
1 530 . 1 1 A 51 51 GLY HA2 H 51 4.027 3.667 0.360 2
1 531 . 1 1 A 51 51 GLY HA3 H 51 3.236 4.143 -0.907 2
1 532 . 1 1 A 51 51 GLY C C 51 171.073 171.920 -0.847 2
1 533 . 1 1 A 51 51 GLY CA C 51 44.696 44.616 0.080 2
1 534 . 1 1 A 51 51 GLY N N 51 108.215 107.671 0.544 2
1 535 . 1 1 A 52 52 GLN H H 52 8.256 8.495 -0.239 2
1 536 . 1 1 A 52 52 GLN HA H 52 5.308 5.232 0.076 2
1 543 . 1 1 A 52 52 GLN C C 52 174.217 173.520 0.697 2
1 544 . 1 1 A 52 52 GLN CA C 52 54.516 55.492 -0.976 2
1 545 . 1 1 A 52 52 GLN CB C 52 32.541 32.031 0.510 2
1 547 . 1 1 A 52 52 GLN N N 52 115.667 119.317 -3.650 2
1 549 . 1 1 A 53 53 THR H H 53 9.298 9.121 0.177 2
1 550 . 1 1 A 53 53 THR HA H 53 4.753 5.212 -0.459 2
1 555 . 1 1 A 53 53 THR C C 53 171.720 172.647 -0.927 2
1 556 . 1 1 A 53 53 THR CA C 53 60.869 59.765 1.104 2
1 557 . 1 1 A 53 53 THR CB C 53 70.580 72.046 -1.466 2
1 559 . 1 1 A 53 53 THR N N 53 117.486 120.783 -3.297 2
1 560 . 1 1 A 54 54 GLU H H 54 8.404 8.716 -0.312 2
1 561 . 1 1 A 54 54 GLU HA H 54 5.378 5.259 0.119 2
1 566 . 1 1 A 54 54 GLU C C 54 174.705 175.614 -0.909 2
1 567 . 1 1 A 54 54 GLU CA C 54 54.693 54.939 -0.246 2
1 568 . 1 1 A 54 54 GLU CB C 54 33.434 32.880 0.554 2
1 570 . 1 1 A 54 54 GLU N N 54 123.651 125.898 -2.247 2
1 571 . 1 1 A 55 55 ALA H H 55 9.471 8.871 0.600 2
1 572 . 1 1 A 55 55 ALA HA H 55 5.056 4.950 0.106 2
1 576 . 1 1 A 55 55 ALA C C 55 172.938 174.113 -1.175 2
1 577 . 1 1 A 55 55 ALA CA C 55 49.216 49.997 -0.781 2
1 578 . 1 1 A 55 55 ALA CB C 55 20.410 22.222 -1.812 2
1 579 . 1 1 A 55 55 ALA N N 55 126.815 123.575 3.240 2
1 580 . 1 1 A 56 56 PRO HA H 56 4.630 4.639 -0.009 2
1 587 . 1 1 A 56 56 PRO C C 56 176.935 177.999 -1.064 2
1 588 . 1 1 A 56 56 PRO CA C 56 62.303 62.783 -0.480 2
1 589 . 1 1 A 56 56 PRO CB C 56 32.745 32.665 0.080 2
1 592 . 1 1 A 57 57 GLY H H 57 8.240 8.569 -0.329 2
1 593 . 1 1 A 57 57 GLY HA2 H 57 3.839 3.891 -0.052 2
1 594 . 1 1 A 57 57 GLY HA3 H 57 3.547 3.907 -0.360 2
1 595 . 1 1 A 57 57 GLY C C 57 173.839 175.027 -1.188 2
1 596 . 1 1 A 57 57 GLY CA C 57 47.092 46.766 0.326 2
1 597 . 1 1 A 57 57 GLY N N 57 104.338 110.383 -6.045 2
1 598 . 1 1 A 58 58 ASN H H 58 7.935 8.040 -0.105 2
1 599 . 1 1 A 58 58 ASN HA H 58 4.778 4.785 -0.007 2
1 604 . 1 1 A 58 58 ASN C C 58 175.578 175.544 0.034 2
1 605 . 1 1 A 58 58 ASN CA C 58 52.176 54.090 -1.914 2
1 606 . 1 1 A 58 58 ASN CB C 58 37.384 38.835 -1.451 2
1 607 . 1 1 A 58 58 ASN N N 58 114.653 117.061 -2.408 2
1 609 . 1 1 A 59 59 ALA H H 59 8.041 7.752 0.289 2
1 610 . 1 1 A 59 59 ALA HA H 59 4.360 4.300 0.060 2
1 614 . 1 1 A 59 59 ALA C C 59 177.738 178.290 -0.552 2
1 615 . 1 1 A 59 59 ALA CA C 59 52.792 52.082 0.710 2
1 616 . 1 1 A 59 59 ALA CB C 59 20.834 19.544 1.290 2
1 617 . 1 1 A 59 59 ALA N N 59 124.183 122.475 1.708 2
1 618 . 1 1 A 60 60 THR H H 60 8.274 8.683 -0.409 2
1 619 . 1 1 A 60 60 THR HA H 60 3.299 3.967 -0.668 2
1 624 . 1 1 A 60 60 THR C C 60 171.681 172.949 -1.268 2
1 625 . 1 1 A 60 60 THR CA C 60 59.732 60.561 -0.829 2
1 626 . 1 1 A 60 60 THR CB C 60 69.010 68.642 0.368 2
1 628 . 1 1 A 60 60 THR N N 60 108.095 113.360 -5.265 2
1 629 . 1 1 A 61 61 SER H H 61 6.728 7.367 -0.639 2
1 630 . 1 1 A 61 61 SER HA H 61 4.584 4.404 0.180 2
1 633 . 1 1 A 61 61 SER C C 61 172.948 172.505 0.443 2
1 634 . 1 1 A 61 61 SER CA C 61 57.403 57.263 0.140 2
1 635 . 1 1 A 61 61 SER CB C 61 65.767 65.334 0.433 2
1 636 . 1 1 A 61 61 SER N N 61 110.991 113.420 -2.429 2
1 637 . 1 1 A 62 62 ALA H H 62 8.954 8.503 0.451 2
1 638 . 1 1 A 62 62 ALA HA H 62 4.581 5.079 -0.497 2
1 642 . 1 1 A 62 62 ALA C C 62 174.741 176.044 -1.303 2
1 643 . 1 1 A 62 62 ALA CA C 62 51.949 51.343 0.606 2
1 644 . 1 1 A 62 62 ALA CB C 62 21.659 23.488 -1.829 2
1 645 . 1 1 A 62 62 ALA N N 62 119.306 122.646 -3.340 2
1 646 . 1 1 A 63 63 MET H H 63 8.599 8.601 -0.002 2
1 647 . 1 1 A 63 63 MET HA H 63 4.993 5.130 -0.137 2
1 655 . 1 1 A 63 63 MET C C 63 175.386 175.168 0.218 2
1 656 . 1 1 A 63 63 MET CA C 63 53.760 54.183 -0.423 2
1 657 . 1 1 A 63 63 MET CB C 63 31.842 34.613 -2.771 2
1 660 . 1 1 A 63 63 MET N N 63 120.537 119.363 1.174 2
1 661 . 1 1 A 64 64 LEU H H 64 9.244 8.401 0.843 2
1 662 . 1 1 A 64 64 LEU HA H 64 4.494 4.949 -0.455 2
1 672 . 1 1 A 64 64 LEU C C 64 175.976 175.574 0.402 2
1 673 . 1 1 A 64 64 LEU CA C 64 52.988 53.098 -0.110 2
1 674 . 1 1 A 64 64 LEU CB C 64 42.785 45.643 -2.858 2
1 678 . 1 1 A 64 64 LEU N N 64 124.823 121.551 3.272 2
1 679 . 1 1 A 65 65 GLY H H 65 7.516 8.105 -0.589 2
1 680 . 1 1 A 65 65 GLY HA2 H 65 4.505 4.046 0.459 2
1 681 . 1 1 A 65 65 GLY HA3 H 65 3.237 4.066 -0.829 2
1 682 . 1 1 A 65 65 GLY C C 65 170.608 172.382 -1.774 2
1 683 . 1 1 A 65 65 GLY CA C 65 44.505 44.444 0.061 2
1 684 . 1 1 A 65 65 GLY N N 65 106.855 108.480 -1.625 2
1 685 . 1 1 A 66 66 PRO HA H 66 4.626 4.828 -0.202 2
1 692 . 1 1 A 66 66 PRO C C 66 176.262 176.494 -0.232 2
1 693 . 1 1 A 66 66 PRO CA C 66 62.542 62.863 -0.321 2
1 694 . 1 1 A 66 66 PRO CB C 66 34.107 32.106 2.001 2
1 697 . 1 1 A 67 67 LEU H H 67 8.487 8.634 -0.147 2
1 698 . 1 1 A 67 67 LEU HA H 67 4.586 4.790 -0.204 2
1 708 . 1 1 A 67 67 LEU C C 67 176.158 176.079 0.079 2
1 709 . 1 1 A 67 67 LEU CA C 67 52.335 53.222 -0.887 2
1 710 . 1 1 A 67 67 LEU CB C 67 43.440 43.088 0.352 2
1 714 . 1 1 A 67 67 LEU N N 67 124.582 122.939 1.643 2
1 715 . 1 1 A 68 68 SER H H 68 8.958 8.707 0.251 2
1 716 . 1 1 A 68 68 SER HA H 68 4.529 4.812 -0.283 2
1 719 . 1 1 A 68 68 SER C C 68 174.360 173.815 0.545 2
1 720 . 1 1 A 68 68 SER CA C 68 58.649 56.782 1.867 2
1 721 . 1 1 A 68 68 SER CB C 68 64.239 65.441 -1.202 2
1 722 . 1 1 A 68 68 SER N N 68 117.670 116.884 0.786 2
1 723 . 1 1 A 69 69 SER H H 69 8.511 8.725 -0.214 2
1 724 . 1 1 A 69 69 SER HA H 69 5.085 5.242 -0.157 2
1 727 . 1 1 A 69 69 SER C C 69 175.660 174.172 1.488 2
1 728 . 1 1 A 69 69 SER CA C 69 59.071 56.445 2.626 2
1 729 . 1 1 A 69 69 SER CB C 69 64.439 65.814 -1.375 2
1 730 . 1 1 A 69 69 SER N N 69 119.760 117.020 2.740 2
1 731 . 1 1 A 70 70 SER H H 70 7.974 8.923 -0.949 2
1 732 . 1 1 A 70 70 SER HA H 70 3.799 4.174 -0.375 2
1 735 . 1 1 A 70 70 SER C C 70 173.645 173.015 0.630 2
1 736 . 1 1 A 70 70 SER CA C 70 58.453 59.204 -0.751 2
1 737 . 1 1 A 70 70 SER CB C 70 62.477 61.999 0.478 2
1 738 . 1 1 A 70 70 SER N N 70 121.170 116.700 4.470 2
1 739 . 1 1 A 71 71 THR H H 71 8.325 7.733 0.592 2
1 740 . 1 1 A 71 71 THR HA H 71 4.482 4.725 -0.243 2
1 745 . 1 1 A 71 71 THR C C 71 171.950 173.514 -1.564 2
1 746 . 1 1 A 71 71 THR CA C 71 62.453 61.608 0.845 2
1 747 . 1 1 A 71 71 THR CB C 71 72.120 71.389 0.731 2
1 749 . 1 1 A 71 71 THR N N 71 115.265 114.857 0.408 2
1 750 . 1 1 A 72 72 THR H H 72 8.963 8.813 0.150 2
1 751 . 1 1 A 72 72 THR HA H 72 5.044 4.623 0.421 2
1 756 . 1 1 A 72 72 THR C C 72 173.198 173.914 -0.716 2
1 757 . 1 1 A 72 72 THR CA C 72 62.216 63.025 -0.809 2
1 758 . 1 1 A 72 72 THR CB C 72 69.392 69.233 0.159 2
1 760 . 1 1 A 72 72 THR N N 72 124.221 121.734 2.487 2
1 761 . 1 1 A 73 73 TYR H H 73 9.711 9.148 0.563 2
1 762 . 1 1 A 73 73 TYR HA H 73 4.852 5.375 -0.523 2
1 767 . 1 1 A 73 73 TYR C C 73 175.854 175.074 0.780 2
1 768 . 1 1 A 73 73 TYR CA C 73 57.596 56.455 1.141 2
1 769 . 1 1 A 73 73 TYR CB C 73 41.377 41.041 0.336 2
1 774 . 1 1 A 73 73 TYR N N 73 126.553 125.855 0.698 2
1 775 . 1 1 A 74 74 THR H H 74 8.981 9.235 -0.254 2
1 776 . 1 1 A 74 74 THR HA H 74 4.648 4.705 -0.057 2
1 781 . 1 1 A 74 74 THR C C 74 174.296 174.207 0.089 2
1 782 . 1 1 A 74 74 THR CA C 74 63.156 62.566 0.590 2
1 783 . 1 1 A 74 74 THR CB C 74 68.916 68.762 0.154 2
1 785 . 1 1 A 74 74 THR N N 74 118.190 119.393 -1.203 2
1 786 . 1 1 A 75 75 VAL H H 75 9.376 9.188 0.188 2
1 787 . 1 1 A 75 75 VAL HA H 75 4.951 4.576 0.375 2
1 795 . 1 1 A 75 75 VAL C C 75 173.554 174.984 -1.430 2
1 796 . 1 1 A 75 75 VAL CA C 75 61.004 61.958 -0.954 2
1 797 . 1 1 A 75 75 VAL CB C 75 34.541 32.914 1.627 2
1 800 . 1 1 A 75 75 VAL N N 75 130.973 128.410 2.563 2
1 801 . 1 1 A 76 76 ARG H H 76 9.023 8.923 0.100 2
1 802 . 1 1 A 76 76 ARG HA H 76 5.218 5.147 0.071 2
1 809 . 1 1 A 76 76 ARG C C 76 175.034 174.611 0.423 2
1 810 . 1 1 A 76 76 ARG CA C 76 54.501 54.661 -0.160 2
1 811 . 1 1 A 76 76 ARG CB C 76 32.621 33.015 -0.394 2
1 814 . 1 1 A 76 76 ARG N N 76 126.030 126.906 -0.876 2
1 815 . 1 1 A 77 77 VAL H H 77 9.155 9.031 0.124 2
1 816 . 1 1 A 77 77 VAL HA H 77 4.165 4.337 -0.172 2
1 824 . 1 1 A 77 77 VAL C C 77 174.967 175.082 -0.115 2
1 825 . 1 1 A 77 77 VAL CA C 77 61.626 61.952 -0.326 2
1 826 . 1 1 A 77 77 VAL CB C 77 33.367 31.212 2.155 2
1 829 . 1 1 A 77 77 VAL N N 77 125.903 126.316 -0.413 2
1 830 . 1 1 A 78 78 THR H H 78 9.313 9.020 0.293 2
1 831 . 1 1 A 78 78 THR HA H 78 5.121 4.862 0.259 2
1 836 . 1 1 A 78 78 THR C C 78 173.388 173.680 -0.292 2
1 837 . 1 1 A 78 78 THR CA C 78 61.286 62.070 -0.784 2
1 838 . 1 1 A 78 78 THR CB C 78 70.432 69.356 1.076 2
1 840 . 1 1 A 78 78 THR N N 78 126.547 123.523 3.024 2
1 841 . 1 1 A 79 79 CYS H H 79 8.807 8.576 0.231 2
1 842 . 1 1 A 79 79 CYS HA H 79 4.410 4.751 -0.341 2
1 845 . 1 1 A 79 79 CYS C C 79 172.501 173.441 -0.940 2
1 846 . 1 1 A 79 79 CYS CA C 79 58.141 57.117 1.024 2
1 847 . 1 1 A 79 79 CYS CB C 79 28.102 27.940 0.162 2
1 848 . 1 1 A 79 79 CYS N N 79 125.160 125.817 -0.657 2
1 849 . 1 1 A 80 80 LEU H H 80 8.417 8.378 0.039 2
1 850 . 1 1 A 80 80 LEU HA H 80 4.377 4.481 -0.104 2
1 860 . 1 1 A 80 80 LEU C C 80 175.846 175.811 0.035 2
1 861 . 1 1 A 80 80 LEU CA C 80 54.400 53.874 0.526 2
1 862 . 1 1 A 80 80 LEU CB C 80 41.520 41.639 -0.119 2
1 866 . 1 1 A 80 80 LEU N N 80 123.584 126.565 -2.981 2
1 867 . 1 1 A 81 81 TYR H H 81 8.090 8.319 -0.230 2
1 868 . 1 1 A 81 81 TYR HA H 81 5.085 4.659 0.426 2
1 875 . 1 1 A 81 81 TYR C C 81 175.341 175.550 -0.209 2
1 876 . 1 1 A 81 81 TYR CA C 81 55.561 57.034 -1.473 2
1 877 . 1 1 A 81 81 TYR CB C 81 36.792 38.552 -1.760 2
1 882 . 1 1 A 81 81 TYR N N 81 123.717 125.164 -1.447 2
1 883 . 1 1 A 82 82 PRO HA H 82 4.358 4.456 -0.098 2
1 890 . 1 1 A 82 82 PRO CA C 82 64.469 64.002 0.467 2
1 891 . 1 1 A 82 82 PRO CB C 82 31.395 31.512 -0.117 2
1 894 . 1 1 A 83 83 GLY HA2 H 83 4.164 3.995 0.169 2
1 895 . 1 1 A 83 83 GLY HA3 H 83 3.880 4.001 -0.121 2
1 896 . 1 1 A 83 83 GLY C C 83 174.832 174.202 0.630 2
1 897 . 1 1 A 83 83 GLY CA C 83 45.437 46.003 -0.566 2
1 898 . 1 1 A 84 84 GLY H H 84 7.641 8.100 -0.458 2
1 899 . 1 1 A 84 84 GLY HA2 H 84 4.581 4.102 0.479 2
1 900 . 1 1 A 84 84 GLY HA3 H 84 3.788 4.117 -0.329 2
1 901 . 1 1 A 84 84 GLY C C 84 174.354 173.963 0.391 2
1 902 . 1 1 A 84 84 GLY CA C 84 44.801 45.601 -0.800 2
1 903 . 1 1 A 84 84 GLY N N 84 107.816 108.950 -1.134 2
1 904 . 1 1 A 85 85 GLY H H 85 8.303 8.304 -0.001 2
1 905 . 1 1 A 85 85 GLY HA2 H 85 4.322 4.135 0.187 2
1 906 . 1 1 A 85 85 GLY HA3 H 85 4.113 4.172 -0.059 2
1 907 . 1 1 A 85 85 GLY C C 85 172.757 172.478 0.279 2
1 908 . 1 1 A 85 85 GLY CA C 85 44.602 45.265 -0.663 2
1 909 . 1 1 A 85 85 GLY N N 85 108.998 109.487 -0.489 2
1 910 . 1 1 A 86 86 SER H H 86 8.361 8.506 -0.145 2
1 911 . 1 1 A 86 86 SER HA H 86 5.024 4.860 0.164 2
1 914 . 1 1 A 86 86 SER C C 86 173.484 172.417 1.067 2
1 915 . 1 1 A 86 86 SER CA C 86 57.738 57.550 0.188 2
1 916 . 1 1 A 86 86 SER CB C 86 66.693 65.850 0.843 2
1 917 . 1 1 A 86 86 SER N N 86 111.910 114.632 -2.723 2
1 918 . 1 1 A 87 87 SER H H 87 8.105 8.252 -0.147 2
1 919 . 1 1 A 87 87 SER HA H 87 4.827 5.232 -0.405 2
1 922 . 1 1 A 87 87 SER C C 87 173.377 173.080 0.297 2
1 923 . 1 1 A 87 87 SER CA C 87 57.737 56.752 0.985 2
1 924 . 1 1 A 87 87 SER CB C 87 65.849 65.844 0.005 2
1 925 . 1 1 A 87 87 SER N N 87 112.598 117.501 -4.903 2
1 926 . 1 1 A 88 88 THR H H 88 8.778 8.801 -0.023 2
1 927 . 1 1 A 88 88 THR HA H 88 5.439 4.993 0.446 2
1 932 . 1 1 A 88 88 THR C C 88 173.289 173.203 0.086 2
1 933 . 1 1 A 88 88 THR CA C 88 62.083 61.620 0.463 2
1 934 . 1 1 A 88 88 THR CB C 88 72.001 71.097 0.904 2
1 936 . 1 1 A 88 88 THR N N 88 120.383 118.071 2.312 2
1 937 . 1 1 A 89 89 LEU H H 89 8.832 9.111 -0.279 2
1 938 . 1 1 A 89 89 LEU HA H 89 4.766 4.891 -0.125 2
1 948 . 1 1 A 89 89 LEU C C 89 175.440 176.245 -0.805 2
1 949 . 1 1 A 89 89 LEU CA C 89 53.671 53.650 0.021 2
1 950 . 1 1 A 89 89 LEU CB C 89 45.972 42.349 3.623 2
1 954 . 1 1 A 89 89 LEU N N 89 128.653 128.086 0.567 2
1 955 . 1 1 A 90 90 THR H H 90 8.576 8.765 -0.189 2
1 956 . 1 1 A 90 90 THR HA H 90 5.622 5.132 0.490 2
1 961 . 1 1 A 90 90 THR C C 90 174.307 174.404 -0.097 2
1 962 . 1 1 A 90 90 THR CA C 90 60.799 60.808 -0.009 2
1 963 . 1 1 A 90 90 THR CB C 90 71.589 70.218 1.371 2
1 965 . 1 1 A 90 90 THR N N 90 115.259 117.536 -2.277 2
1 966 . 1 1 A 91 91 GLY H H 91 9.071 8.909 0.162 2
1 967 . 1 1 A 91 91 GLY HA2 H 91 4.605 4.436 0.169 2
1 968 . 1 1 A 91 91 GLY HA3 H 91 3.960 4.543 -0.583 2
1 969 . 1 1 A 91 91 GLY C C 91 170.717 172.004 -1.287 2
1 970 . 1 1 A 91 91 GLY CA C 91 45.314 45.231 0.083 2
1 971 . 1 1 A 91 91 GLY N N 91 112.300 110.272 2.028 2
1 972 . 1 1 A 92 92 ARG H H 92 8.558 8.783 -0.225 2
1 973 . 1 1 A 92 92 ARG HA H 92 5.594 4.935 0.659 2
1 980 . 1 1 A 92 92 ARG C C 92 173.260 174.657 -1.397 2
1 981 . 1 1 A 92 92 ARG CA C 92 54.806 55.552 -0.746 2
1 982 . 1 1 A 92 92 ARG CB C 92 34.464 32.145 2.319 2
1 985 . 1 1 A 92 92 ARG N N 92 119.774 124.141 -4.367 2
1 986 . 1 1 A 93 93 VAL H H 93 8.430 8.568 -0.138 2
1 987 . 1 1 A 93 93 VAL HA H 93 4.081 4.457 -0.376 2
1 995 . 1 1 A 93 93 VAL C C 93 171.210 173.663 -2.453 2
1 996 . 1 1 A 93 93 VAL CA C 93 58.915 59.706 -0.791 2
1 997 . 1 1 A 93 93 VAL CB C 93 33.683 34.093 -0.410 2
1 1000 . 1 1 A 93 93 VAL N N 93 120.381 121.022 -0.641 2
1 1001 . 1 1 A 94 94 THR H H 94 8.129 8.747 -0.618 2
1 1002 . 1 1 A 94 94 THR HA H 94 5.342 4.763 0.579 2
1 1007 . 1 1 A 94 94 THR C C 94 174.637 174.523 0.114 2
1 1008 . 1 1 A 94 94 THR CA C 94 60.799 62.179 -1.380 2
1 1009 . 1 1 A 94 94 THR CB C 94 70.768 69.125 1.643 2
1 1011 . 1 1 A 94 94 THR N N 94 124.645 124.153 0.492 2
1 1012 . 1 1 A 95 95 THR H H 95 8.906 8.493 0.413 2
1 1013 . 1 1 A 95 95 THR HA H 95 4.115 4.287 -0.172 2
1 1018 . 1 1 A 95 95 THR C C 95 175.367 174.356 1.011 2
1 1019 . 1 1 A 95 95 THR CA C 95 60.909 62.265 -1.356 2
1 1020 . 1 1 A 95 95 THR CB C 95 70.346 69.977 0.369 2
1 1022 . 1 1 A 95 95 THR N N 95 116.835 120.857 -4.022 2
1 1023 . 1 1 A 96 96 LYS H H 96 7.372 8.503 -1.131 2
1 1024 . 1 1 A 96 96 LYS HA H 96 4.189 4.360 -0.171 2
1 1033 . 1 1 A 96 96 LYS C C 96 176.308 177.273 -0.965 2
1 1034 . 1 1 A 96 96 LYS CA C 96 55.207 56.248 -1.041 2
1 1035 . 1 1 A 96 96 LYS CB C 96 34.095 33.389 0.706 2
1 1039 . 1 1 A 96 96 LYS N N 96 116.829 122.721 -5.892 2
1 1040 . 1 1 A 97 97 LYS H H 97 8.113 8.568 -0.455 2
1 1041 . 1 1 A 97 97 LYS HA H 97 4.356 4.412 -0.055 2
1 1050 . 1 1 A 97 97 LYS C C 97 176.106 176.620 -0.514 2
1 1051 . 1 1 A 97 97 LYS CA C 97 56.260 56.399 -0.139 2
1 1052 . 1 1 A 97 97 LYS CB C 97 33.140 33.159 -0.019 2
1 1056 . 1 1 A 97 97 LYS N N 97 119.233 121.570 -2.337 2
1 1057 . 1 1 A 98 98 ALA H H 98 8.484 8.564 -0.080 2
1 1058 . 1 1 A 98 98 ALA HA H 98 4.054 4.028 0.026 2
1 1062 . 1 1 A 98 98 ALA C C 98 175.754 176.124 -0.370 2
1 1063 . 1 1 A 98 98 ALA CA C 98 50.511 50.380 0.131 2
1 1064 . 1 1 A 98 98 ALA CB C 98 17.093 18.330 -1.237 2
1 1065 . 1 1 A 98 98 ALA N N 98 126.424 126.059 0.365 2
1 1066 . 1 1 A 99 99 PRO HA H 99 4.313 4.444 -0.131 2
1 1073 . 1 1 A 99 99 PRO C C 99 176.506 176.699 -0.193 2
1 1074 . 1 1 A 99 99 PRO CA C 99 62.584 62.929 -0.345 2
1 1075 . 1 1 A 99 99 PRO CB C 99 32.024 31.883 0.141 2
1 1078 . 1 1 A 100 100 SER H H 100 8.377 8.283 0.094 2
1 1079 . 1 1 A 100 100 SER HA H 100 4.688 4.537 0.151 2
1 1082 . 1 1 A 100 100 SER CA C 100 56.296 58.020 -1.724 2
1 1083 . 1 1 A 100 100 SER CB C 100 63.276 63.243 0.033 2
1 1084 . 1 1 A 100 100 SER N N 100 117.700 115.639 2.061 2
1 1086 . 1 1 A 103 103 SER HA H 103 4.507 4.793 -0.286 2
1 1089 . 1 1 A 103 103 SER CA C 103 58.198 58.061 0.137 2
1 1090 . 1 1 A 103 103 SER CB C 103 63.882 64.508 -0.626 2
1 1091 . 1 1 A 104 104 GLY H H 104 8.233 8.417 -0.184 2
1 1092 . 1 1 A 104 104 GLY HA2 H 104 4.124 4.195 -0.071 2
1 1093 . 1 1 A 104 104 GLY HA3 H 104 4.124 4.195 -0.071 2
1 1094 . 1 1 A 104 104 GLY CA C 104 44.608 45.221 -0.613 2
1 1095 . 1 1 A 104 104 GLY N N 104 110.600 110.675 -0.075 2
1 1096 . 1 1 A 105 105 PRO HA H 105 4.460 4.616 -0.156 2
1 1103 . 1 1 A 105 105 PRO CA C 105 63.264 62.988 0.276 2
1 1104 . 1 1 A 105 105 PRO CB C 105 32.094 31.766 0.328 2
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