data_16001_sparta
save_entry_information
_Entry.Sf_category entry_information
_Entry.Sf_framecode entry_information
_Entry.ID 16001
_Entry.PDB_ID 2K9S
_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 14 . 1 1 1 A 2 2 ASP H H 2 8.989 8.469 0.520 1
1 15 . 1 1 1 A 2 2 ASP HA H 2 4.662 4.629 0.033 1
1 18 . 1 1 1 A 2 2 ASP C C 2 177.024 177.178 -0.154 1
1 19 . 1 1 1 A 2 2 ASP CA C 2 54.092 54.367 -0.275 1
1 20 . 1 1 1 A 2 2 ASP CB C 2 42.743 42.825 -0.082 1
1 21 . 1 1 1 A 2 2 ASP N N 2 126.287 125.728 0.559 1
1 22 . 1 1 1 A 3 3 ASN H H 3 9.165 8.811 0.354 1
1 23 . 1 1 1 A 3 3 ASN HA H 3 4.446 4.343 0.103 1
1 28 . 1 1 1 A 3 3 ASN C C 3 177.306 177.289 0.017 1
1 29 . 1 1 1 A 3 3 ASN CA C 3 56.355 57.018 -0.663 1
1 30 . 1 1 1 A 3 3 ASN CB C 3 38.382 38.029 0.353 1
1 32 . 1 1 1 A 3 3 ASN N N 3 124.055 123.327 0.728 1
1 34 . 1 1 1 A 4 4 ARG H H 4 9.092 7.727 1.365 1
1 35 . 1 1 1 A 4 4 ARG HA H 4 4.183 4.065 0.118 1
1 42 . 1 1 1 A 4 4 ARG C C 4 178.824 178.685 0.139 1
1 43 . 1 1 1 A 4 4 ARG CA C 4 59.401 59.389 0.012 1
1 44 . 1 1 1 A 4 4 ARG CB C 4 29.437 29.569 -0.132 1
1 47 . 1 1 1 A 4 4 ARG N N 4 119.970 119.162 0.808 1
1 48 . 1 1 1 A 5 5 VAL H H 5 7.588 7.848 -0.260 1
1 49 . 1 1 1 A 5 5 VAL HA H 5 3.458 3.528 -0.070 1
1 57 . 1 1 1 A 5 5 VAL C C 5 177.573 177.895 -0.322 1
1 58 . 1 1 1 A 5 5 VAL CA C 5 66.543 66.604 -0.061 1
1 59 . 1 1 1 A 5 5 VAL CB C 5 31.294 31.195 0.099 1
1 62 . 1 1 1 A 5 5 VAL N N 5 119.312 119.597 -0.285 1
1 63 . 1 1 1 A 6 6 ARG H H 6 7.920 8.430 -0.510 1
1 64 . 1 1 1 A 6 6 ARG HA H 6 3.860 3.808 0.052 1
1 71 . 1 1 1 A 6 6 ARG C C 6 179.380 178.864 0.516 1
1 72 . 1 1 1 A 6 6 ARG CA C 6 60.197 59.893 0.304 1
1 73 . 1 1 1 A 6 6 ARG CB C 6 29.818 29.920 -0.102 1
1 76 . 1 1 1 A 6 6 ARG N N 6 120.863 119.414 1.449 1
1 77 . 1 1 1 A 7 7 GLU H H 7 8.262 8.168 0.094 1
1 78 . 1 1 1 A 7 7 GLU HA H 7 4.241 4.149 0.092 1
1 83 . 1 1 1 A 7 7 GLU C C 7 179.131 178.753 0.378 1
1 84 . 1 1 1 A 7 7 GLU CA C 7 58.770 59.344 -0.574 1
1 85 . 1 1 1 A 7 7 GLU CB C 7 28.883 29.119 -0.236 1
1 87 . 1 1 1 A 7 7 GLU N N 7 119.166 119.521 -0.355 1
1 88 . 1 1 1 A 8 8 ALA H H 8 8.421 8.393 0.028 1
1 89 . 1 1 1 A 8 8 ALA HA H 8 4.046 4.450 -0.404 1
1 93 . 1 1 1 A 8 8 ALA C C 8 179.202 179.866 -0.664 1
1 94 . 1 1 1 A 8 8 ALA CA C 8 55.610 55.310 0.300 1
1 95 . 1 1 1 A 8 8 ALA CB C 8 18.512 18.626 -0.114 1
1 96 . 1 1 1 A 8 8 ALA N N 8 123.947 121.207 2.740 1
1 97 . 1 1 1 A 9 9 CYS H H 9 8.490 7.984 0.506 1
1 98 . 1 1 1 A 9 9 CYS HA H 9 3.767 4.512 -0.745 1
1 101 . 1 1 1 A 9 9 CYS C C 9 176.858 177.447 -0.589 1
1 102 . 1 1 1 A 9 9 CYS CA C 9 64.480 62.610 1.870 1
1 103 . 1 1 1 A 9 9 CYS CB C 9 26.690 27.370 -0.680 1
1 104 . 1 1 1 A 9 9 CYS N N 9 116.232 118.334 -2.102 1
1 105 . 1 1 1 A 10 10 GLN H H 10 8.088 7.901 0.187 1
1 106 . 1 1 1 A 10 10 GLN HA H 10 4.022 4.138 -0.116 1
1 113 . 1 1 1 A 10 10 GLN C C 10 177.140 178.420 -1.280 1
1 114 . 1 1 1 A 10 10 GLN CA C 10 58.804 59.376 -0.572 1
1 115 . 1 1 1 A 10 10 GLN CB C 10 28.299 28.561 -0.262 1
1 118 . 1 1 1 A 10 10 GLN N N 10 120.817 120.050 0.767 1
1 120 . 1 1 1 A 11 11 TYR H H 11 8.367 7.696 0.671 1
1 121 . 1 1 1 A 11 11 TYR HA H 11 4.308 4.128 0.180 1
1 128 . 1 1 1 A 11 11 TYR C C 11 178.986 177.156 1.830 1
1 129 . 1 1 1 A 11 11 TYR CA C 11 61.850 61.441 0.409 1
1 130 . 1 1 1 A 11 11 TYR CB C 11 38.653 38.477 0.176 1
1 135 . 1 1 1 A 11 11 TYR N N 11 120.419 120.668 -0.249 1
1 136 . 1 1 1 A 12 12 ILE H H 12 8.886 8.378 0.508 1
1 137 . 1 1 1 A 12 12 ILE HA H 12 3.700 3.331 0.369 1
1 147 . 1 1 1 A 12 12 ILE C C 12 179.352 177.786 1.566 1
1 148 . 1 1 1 A 12 12 ILE CA C 12 65.621 65.134 0.487 1
1 149 . 1 1 1 A 12 12 ILE CB C 12 38.203 37.841 0.362 1
1 153 . 1 1 1 A 12 12 ILE N N 12 119.720 121.527 -1.807 1
1 154 . 1 1 1 A 13 13 SER H H 13 8.740 8.406 0.334 1
1 155 . 1 1 1 A 13 13 SER HA H 13 4.753 4.033 0.720 1
1 158 . 1 1 1 A 13 13 SER C C 13 176.355 176.845 -0.490 1
1 159 . 1 1 1 A 13 13 SER CA C 13 62.551 61.608 0.943 1
1 160 . 1 1 1 A 13 13 SER CB C 13 62.468 62.771 -0.303 1
1 161 . 1 1 1 A 13 13 SER N N 13 116.217 116.670 -0.453 1
1 162 . 1 1 1 A 14 14 ASP H H 14 8.426 7.821 0.605 1
1 163 . 1 1 1 A 14 14 ASP HA H 14 4.438 4.379 0.059 1
1 166 . 1 1 1 A 14 14 ASP C C 14 176.838 177.722 -0.884 1
1 167 . 1 1 1 A 14 14 ASP CA C 14 55.988 57.040 -1.052 1
1 168 . 1 1 1 A 14 14 ASP CB C 14 40.500 41.092 -0.592 1
1 169 . 1 1 1 A 14 14 ASP N N 14 121.201 121.583 -0.382 1
1 170 . 1 1 1 A 15 15 HIS H H 15 7.530 7.332 0.198 1
1 171 . 1 1 1 A 15 15 HIS HA H 15 4.661 4.618 0.043 1
1 176 . 1 1 1 A 15 15 HIS C C 15 175.451 175.542 -0.091 1
1 177 . 1 1 1 A 15 15 HIS CA C 15 55.320 55.617 -0.297 1
1 178 . 1 1 1 A 15 15 HIS CB C 15 28.275 29.122 -0.847 1
1 181 . 1 1 1 A 15 15 HIS N N 15 116.777 114.918 1.859 1
1 182 . 1 1 1 A 16 16 LEU H H 16 7.271 7.426 -0.155 1
1 183 . 1 1 1 A 16 16 LEU HA H 16 3.812 3.824 -0.012 1
1 193 . 1 1 1 A 16 16 LEU C C 16 176.627 178.214 -1.587 1
1 194 . 1 1 1 A 16 16 LEU CA C 16 58.076 57.671 0.405 1
1 195 . 1 1 1 A 16 16 LEU CB C 16 42.531 41.451 1.080 1
1 199 . 1 1 1 A 16 16 LEU N N 16 122.531 122.461 0.070 1
1 200 . 1 1 1 A 17 17 ALA H H 17 8.243 7.277 0.966 1
1 201 . 1 1 1 A 17 17 ALA HA H 17 3.937 4.355 -0.418 1
1 205 . 1 1 1 A 17 17 ALA C C 17 177.131 177.079 0.052 1
1 206 . 1 1 1 A 17 17 ALA CA C 17 51.802 51.862 -0.060 1
1 207 . 1 1 1 A 17 17 ALA CB C 17 18.473 20.162 -1.689 1
1 208 . 1 1 1 A 17 17 ALA N N 17 116.354 119.574 -3.220 1
1 209 . 1 1 1 A 18 18 ASP H H 18 7.488 7.544 -0.056 1
1 210 . 1 1 1 A 18 18 ASP HA H 18 4.455 4.436 0.019 1
1 213 . 1 1 1 A 18 18 ASP C C 18 177.370 176.139 1.231 1
1 214 . 1 1 1 A 18 18 ASP CA C 18 54.571 54.363 0.208 1
1 215 . 1 1 1 A 18 18 ASP CB C 18 40.521 42.650 -2.129 1
1 216 . 1 1 1 A 18 18 ASP N N 18 119.230 118.946 0.284 1
1 217 . 1 1 1 A 19 19 SER H H 19 8.793 8.787 0.006 1
1 218 . 1 1 1 A 19 19 SER HA H 19 4.424 4.588 -0.164 1
1 221 . 1 1 1 A 19 19 SER C C 19 174.779 175.007 -0.228 1
1 222 . 1 1 1 A 19 19 SER CA C 19 59.706 60.686 -0.980 1
1 223 . 1 1 1 A 19 19 SER CB C 19 63.351 63.802 -0.451 1
1 224 . 1 1 1 A 19 19 SER N N 19 119.892 118.175 1.717 1
1 225 . 1 1 1 A 20 20 ASN H H 20 8.520 8.035 0.485 1
1 226 . 1 1 1 A 20 20 ASN HA H 20 4.869 4.927 -0.058 1
1 231 . 1 1 1 A 20 20 ASN C C 20 173.838 174.548 -0.710 1
1 232 . 1 1 1 A 20 20 ASN CA C 20 52.586 53.239 -0.653 1
1 233 . 1 1 1 A 20 20 ASN CB C 20 38.799 38.447 0.352 1
1 235 . 1 1 1 A 20 20 ASN N N 20 119.769 119.274 0.495 1
1 237 . 1 1 1 A 21 21 PHE H H 21 8.082 9.109 -1.027 1
1 238 . 1 1 1 A 21 21 PHE HA H 21 4.397 5.274 -0.877 1
1 246 . 1 1 1 A 21 21 PHE C C 21 173.520 173.562 -0.042 1
1 247 . 1 1 1 A 21 21 PHE CA C 21 58.672 56.575 2.097 1
1 248 . 1 1 1 A 21 21 PHE CB C 21 40.704 41.892 -1.188 1
1 254 . 1 1 1 A 21 21 PHE N N 21 121.875 126.219 -4.344 1
1 255 . 1 1 1 A 22 22 ASP H H 22 7.570 8.577 -1.007 1
1 256 . 1 1 1 A 22 22 ASP HA H 22 4.563 4.809 -0.246 1
1 259 . 1 1 1 A 22 22 ASP C C 22 175.674 175.955 -0.281 1
1 260 . 1 1 1 A 22 22 ASP CA C 22 52.049 52.327 -0.278 1
1 261 . 1 1 1 A 22 22 ASP CB C 22 43.023 41.982 1.041 1
1 262 . 1 1 1 A 22 22 ASP N N 22 126.780 127.870 -1.090 1
1 263 . 1 1 1 A 23 23 ILE H H 23 8.720 8.441 0.279 1
1 264 . 1 1 1 A 23 23 ILE HA H 23 3.555 3.577 -0.022 1
1 274 . 1 1 1 A 23 23 ILE C C 23 176.441 177.306 -0.865 1
1 275 . 1 1 1 A 23 23 ILE CA C 23 63.650 63.435 0.215 1
1 276 . 1 1 1 A 23 23 ILE CB C 23 37.741 37.846 -0.105 1
1 280 . 1 1 1 A 23 23 ILE N N 23 124.815 126.876 -2.061 1
1 281 . 1 1 1 A 24 24 ALA H H 24 8.543 8.018 0.525 1
1 282 . 1 1 1 A 24 24 ALA HA H 24 3.917 3.983 -0.066 1
1 286 . 1 1 1 A 24 24 ALA C C 24 180.227 179.616 0.611 1
1 287 . 1 1 1 A 24 24 ALA CA C 24 55.413 55.426 -0.013 1
1 288 . 1 1 1 A 24 24 ALA CB C 24 17.760 18.200 -0.440 1
1 289 . 1 1 1 A 24 24 ALA N N 24 123.943 124.371 -0.428 1
1 290 . 1 1 1 A 25 25 SER H H 25 7.844 7.814 0.030 1
1 291 . 1 1 1 A 25 25 SER HA H 25 4.246 4.046 0.200 1
1 293 . 1 1 1 A 25 25 SER C C 25 176.667 176.236 0.431 1
1 294 . 1 1 1 A 25 25 SER CA C 25 61.238 61.594 -0.356 1
1 295 . 1 1 1 A 25 25 SER CB C 25 62.402 62.835 -0.433 1
1 296 . 1 1 1 A 25 25 SER N N 25 114.143 113.478 0.665 1
1 297 . 1 1 1 A 26 26 VAL H H 26 7.086 7.958 -0.872 1
1 298 . 1 1 1 A 26 26 VAL HA H 26 3.198 3.753 -0.555 1
1 306 . 1 1 1 A 26 26 VAL C C 26 176.670 178.169 -1.499 1
1 307 . 1 1 1 A 26 26 VAL CA C 26 64.809 66.626 -1.817 1
1 308 . 1 1 1 A 26 26 VAL CB C 26 31.274 31.690 -0.416 1
1 311 . 1 1 1 A 26 26 VAL N N 26 122.369 122.143 0.226 1
1 312 . 1 1 1 A 27 27 ALA H H 27 8.043 7.817 0.226 1
1 313 . 1 1 1 A 27 27 ALA HA H 27 3.775 3.956 -0.181 1
1 317 . 1 1 1 A 27 27 ALA C C 27 178.948 179.604 -0.656 1
1 318 . 1 1 1 A 27 27 ALA CA C 27 55.507 55.470 0.037 1
1 319 . 1 1 1 A 27 27 ALA CB C 27 17.412 17.806 -0.394 1
1 320 . 1 1 1 A 27 27 ALA N N 27 122.045 122.131 -0.086 1
1 321 . 1 1 1 A 28 28 GLN H H 28 8.089 7.947 0.142 1
1 322 . 1 1 1 A 28 28 GLN HA H 28 4.053 4.042 0.011 1
1 329 . 1 1 1 A 28 28 GLN C C 28 179.289 178.423 0.866 1
1 330 . 1 1 1 A 28 28 GLN CA C 28 58.625 58.736 -0.111 1
1 331 . 1 1 1 A 28 28 GLN CB C 28 28.155 28.221 -0.066 1
1 334 . 1 1 1 A 28 28 GLN N N 28 116.168 118.414 -2.246 1
1 336 . 1 1 1 A 29 29 HIS H H 29 7.454 8.037 -0.583 1
1 337 . 1 1 1 A 29 29 HIS HA H 29 4.209 4.065 0.144 1
1 342 . 1 1 1 A 29 29 HIS C C 29 175.895 176.958 -1.063 1
1 343 . 1 1 1 A 29 29 HIS CA C 29 59.132 59.290 -0.158 1
1 344 . 1 1 1 A 29 29 HIS CB C 29 28.947 29.651 -0.704 1
1 347 . 1 1 1 A 29 29 HIS N N 29 118.117 120.003 -1.886 1
1 348 . 1 1 1 A 30 30 VAL H H 30 7.309 7.341 -0.032 1
1 349 . 1 1 1 A 30 30 VAL HA H 30 4.441 4.072 0.369 1
1 357 . 1 1 1 A 30 30 VAL C C 30 173.598 174.441 -0.843 1
1 358 . 1 1 1 A 30 30 VAL CA C 30 59.948 60.596 -0.648 1
1 359 . 1 1 1 A 30 30 VAL CB C 30 31.067 31.097 -0.030 1
1 362 . 1 1 1 A 30 30 VAL N N 30 106.791 109.765 -2.974 1
1 363 . 1 1 1 A 31 31 CYS H H 31 7.837 8.007 -0.170 1
1 364 . 1 1 1 A 31 31 CYS HA H 31 3.929 4.113 -0.184 1
1 367 . 1 1 1 A 31 31 CYS C C 31 173.679 173.193 0.486 1
1 368 . 1 1 1 A 31 31 CYS CA C 31 59.814 60.421 -0.607 1
1 369 . 1 1 1 A 31 31 CYS CB C 31 24.898 25.974 -1.076 1
1 370 . 1 1 1 A 31 31 CYS N N 31 116.363 117.209 -0.846 1
1 371 . 1 1 1 A 32 32 LEU H H 32 8.061 7.883 0.178 1
1 372 . 1 1 1 A 32 32 LEU HA H 32 4.871 4.769 0.102 1
1 382 . 1 1 1 A 32 32 LEU C C 32 176.243 175.145 1.098 1
1 383 . 1 1 1 A 32 32 LEU CA C 32 52.555 53.541 -0.986 1
1 384 . 1 1 1 A 32 32 LEU CB C 32 48.238 45.775 2.463 1
1 388 . 1 1 1 A 32 32 LEU N N 32 118.159 120.293 -2.134 1
1 389 . 1 1 1 A 33 33 SER H H 33 8.221 8.709 -0.488 1
1 390 . 1 1 1 A 33 33 SER N N 33 116.259 119.556 -3.297 1
1 391 . 1 1 1 A 34 34 PRO HA H 34 3.951 4.349 -0.398 1
1 398 . 1 1 1 A 34 34 PRO C C 34 178.473 178.942 -0.469 1
1 399 . 1 1 1 A 34 34 PRO CA C 34 66.404 64.986 1.418 1
1 400 . 1 1 1 A 34 34 PRO CB C 34 31.712 32.001 -0.289 1
1 403 . 1 1 1 A 35 35 SER H H 35 8.343 8.310 0.033 1
1 404 . 1 1 1 A 35 35 SER HA H 35 4.192 4.364 -0.172 1
1 406 . 1 1 1 A 35 35 SER C C 35 177.361 176.034 1.327 1
1 407 . 1 1 1 A 35 35 SER CA C 35 61.358 61.764 -0.406 1
1 408 . 1 1 1 A 35 35 SER CB C 35 62.140 62.672 -0.532 1
1 409 . 1 1 1 A 35 35 SER N N 35 111.653 114.262 -2.609 1
1 410 . 1 1 1 A 36 36 ARG H H 36 7.868 7.879 -0.011 1
1 411 . 1 1 1 A 36 36 ARG HA H 36 4.243 4.196 0.047 1
1 418 . 1 1 1 A 36 36 ARG C C 36 178.850 178.373 0.477 1
1 419 . 1 1 1 A 36 36 ARG CA C 36 58.714 58.748 -0.034 1
1 420 . 1 1 1 A 36 36 ARG CB C 36 29.804 29.926 -0.122 1
1 423 . 1 1 1 A 36 36 ARG N N 36 124.303 121.365 2.938 1
1 424 . 1 1 1 A 37 37 LEU H H 37 8.593 7.650 0.943 1
1 425 . 1 1 1 A 37 37 LEU HA H 37 4.052 4.129 -0.077 1
1 435 . 1 1 1 A 37 37 LEU C C 37 177.894 178.470 -0.576 1
1 436 . 1 1 1 A 37 37 LEU CA C 37 58.289 58.530 -0.241 1
1 437 . 1 1 1 A 37 37 LEU CB C 37 40.775 42.102 -1.327 1
1 441 . 1 1 1 A 37 37 LEU N N 37 119.319 121.730 -2.411 1
1 442 . 1 1 1 A 38 38 SER H H 38 8.478 8.555 -0.077 1
1 443 . 1 1 1 A 38 38 SER HA H 38 4.066 4.226 -0.160 1
1 444 . 1 1 1 A 38 38 SER C C 38 176.577 176.398 0.179 1
1 445 . 1 1 1 A 38 38 SER CA C 38 62.824 61.548 1.276 1
1 446 . 1 1 1 A 38 38 SER N N 38 113.612 115.028 -1.416 1
1 447 . 1 1 1 A 39 39 HIS H H 39 7.983 7.798 0.185 1
1 448 . 1 1 1 A 39 39 HIS HA H 39 4.403 4.275 0.128 1
1 453 . 1 1 1 A 39 39 HIS C C 39 177.138 176.773 0.365 1
1 454 . 1 1 1 A 39 39 HIS CA C 39 59.316 60.047 -0.731 1
1 455 . 1 1 1 A 39 39 HIS CB C 39 29.226 30.191 -0.965 1
1 458 . 1 1 1 A 39 39 HIS N N 39 119.938 121.942 -2.004 1
1 459 . 1 1 1 A 40 40 LEU H H 40 8.432 8.198 0.234 1
1 460 . 1 1 1 A 40 40 LEU HA H 40 4.045 4.004 0.041 1
1 470 . 1 1 1 A 40 40 LEU C C 40 178.876 179.140 -0.264 1
1 471 . 1 1 1 A 40 40 LEU CA C 40 57.990 57.807 0.183 1
1 472 . 1 1 1 A 40 40 LEU CB C 40 42.609 41.819 0.790 1
1 476 . 1 1 1 A 40 40 LEU N N 40 120.053 118.875 1.178 1
1 477 . 1 1 1 A 41 41 PHE H H 41 8.937 8.801 0.136 1
1 478 . 1 1 1 A 41 41 PHE HA H 41 3.736 3.975 -0.239 1
1 486 . 1 1 1 A 41 41 PHE C C 41 178.022 177.577 0.445 1
1 487 . 1 1 1 A 41 41 PHE CA C 41 62.523 61.907 0.616 1
1 488 . 1 1 1 A 41 41 PHE CB C 41 39.534 39.170 0.364 1
1 494 . 1 1 1 A 41 41 PHE N N 41 120.491 119.663 0.828 1
1 495 . 1 1 1 A 42 42 ARG H H 42 8.009 8.074 -0.065 1
1 496 . 1 1 1 A 42 42 ARG HA H 42 4.021 4.380 -0.359 1
1 502 . 1 1 1 A 42 42 ARG C C 42 179.850 178.318 1.532 1
1 503 . 1 1 1 A 42 42 ARG CA C 42 59.243 59.011 0.232 1
1 504 . 1 1 1 A 42 42 ARG CB C 42 29.748 29.592 0.156 1
1 507 . 1 1 1 A 42 42 ARG N N 42 117.688 118.559 -0.871 1
1 508 . 1 1 1 A 43 43 GLN H H 43 8.286 7.434 0.852 1
1 509 . 1 1 1 A 43 43 GLN HA H 43 4.006 3.969 0.037 1
1 516 . 1 1 1 A 43 43 GLN C C 43 177.917 178.256 -0.339 1
1 517 . 1 1 1 A 43 43 GLN CA C 43 58.715 58.891 -0.176 1
1 518 . 1 1 1 A 43 43 GLN CB C 43 29.345 28.714 0.631 1
1 521 . 1 1 1 A 43 43 GLN N N 43 118.179 118.713 -0.534 1
1 523 . 1 1 1 A 44 44 GLN H H 44 8.296 8.180 0.116 1
1 524 . 1 1 1 A 44 44 GLN HA H 44 4.208 4.106 0.102 1
1 531 . 1 1 1 A 44 44 GLN C C 44 177.314 177.458 -0.144 1
1 532 . 1 1 1 A 44 44 GLN CA C 44 57.913 58.098 -0.185 1
1 533 . 1 1 1 A 44 44 GLN CB C 44 29.027 28.716 0.311 1
1 536 . 1 1 1 A 44 44 GLN N N 44 114.928 118.050 -3.122 1
1 538 . 1 1 1 A 45 45 LEU H H 45 8.463 8.001 0.462 1
1 539 . 1 1 1 A 45 45 LEU HA H 45 4.567 4.236 0.331 1
1 549 . 1 1 1 A 45 45 LEU C C 45 178.381 177.103 1.278 1
1 550 . 1 1 1 A 45 45 LEU CA C 45 54.564 55.115 -0.551 1
1 551 . 1 1 1 A 45 45 LEU CB C 45 43.031 42.378 0.653 1
1 555 . 1 1 1 A 45 45 LEU N N 45 117.028 116.876 0.152 1
1 556 . 1 1 1 A 46 46 GLY H H 46 7.852 8.899 -1.047 1
1 557 . 1 1 1 A 46 46 GLY HA2 H 46 4.005 3.875 0.130 1
1 558 . 1 1 1 A 46 46 GLY HA3 H 46 4.167 3.882 0.285 1
1 559 . 1 1 1 A 46 46 GLY C C 46 173.114 173.467 -0.353 1
1 560 . 1 1 1 A 46 46 GLY CA C 46 46.080 45.962 0.118 1
1 561 . 1 1 1 A 46 46 GLY N N 46 108.569 106.724 1.845 1
1 562 . 1 1 1 A 47 47 ILE H H 47 7.281 7.538 -0.257 1
1 563 . 1 1 1 A 47 47 ILE HA H 47 4.735 4.887 -0.152 1
1 573 . 1 1 1 A 47 47 ILE C C 47 172.231 174.334 -2.103 1
1 574 . 1 1 1 A 47 47 ILE CA C 47 59.240 58.777 0.463 1
1 575 . 1 1 1 A 47 47 ILE CB C 47 42.470 42.150 0.320 1
1 579 . 1 1 1 A 47 47 ILE N N 47 115.396 115.881 -0.485 1
1 580 . 1 1 1 A 48 48 SER H H 48 8.298 8.830 -0.532 1
1 581 . 1 1 1 A 48 48 SER HA H 48 4.725 4.626 0.099 1
1 584 . 1 1 1 A 48 48 SER C C 48 174.600 175.811 -1.211 1
1 585 . 1 1 1 A 48 48 SER CA C 48 57.092 58.968 -1.876 1
1 586 . 1 1 1 A 48 48 SER CB C 48 65.286 63.652 1.634 1
1 587 . 1 1 1 A 48 48 SER N N 48 115.685 118.938 -3.253 1
1 588 . 1 1 1 A 49 49 VAL H H 49 8.296 8.798 -0.502 1
1 589 . 1 1 1 A 49 49 VAL HA H 49 3.081 3.867 -0.786 1
1 597 . 1 1 1 A 49 49 VAL C C 49 177.888 177.336 0.552 1
1 598 . 1 1 1 A 49 49 VAL CA C 49 65.881 67.432 -1.551 1
1 599 . 1 1 1 A 49 49 VAL CB C 49 31.149 31.469 -0.320 1
1 602 . 1 1 1 A 49 49 VAL N N 49 120.175 124.066 -3.891 1
1 603 . 1 1 1 A 50 50 LEU H H 50 8.138 8.182 -0.044 1
1 604 . 1 1 1 A 50 50 LEU HA H 50 4.011 4.080 -0.069 1
1 614 . 1 1 1 A 50 50 LEU C C 50 180.412 179.752 0.660 1
1 615 . 1 1 1 A 50 50 LEU CA C 50 57.962 58.152 -0.190 1
1 616 . 1 1 1 A 50 50 LEU CB C 50 41.224 41.459 -0.235 1
1 620 . 1 1 1 A 50 50 LEU N N 50 116.998 119.926 -2.928 1
1 621 . 1 1 1 A 51 51 SER H H 51 8.087 8.021 0.066 1
1 622 . 1 1 1 A 51 51 SER HA H 51 4.279 4.253 0.026 1
1 624 . 1 1 1 A 51 51 SER C C 51 176.081 176.788 -0.707 1
1 625 . 1 1 1 A 51 51 SER CA C 51 62.174 61.296 0.878 1
1 626 . 1 1 1 A 51 51 SER N N 51 117.207 114.351 2.856 1
1 627 . 1 1 1 A 52 52 TRP H H 52 8.913 8.407 0.506 1
1 628 . 1 1 1 A 52 52 TRP HA H 52 4.067 4.247 -0.180 1
1 637 . 1 1 1 A 52 52 TRP C C 52 178.579 178.027 0.552 1
1 638 . 1 1 1 A 52 52 TRP CA C 52 63.288 61.304 1.984 1
1 639 . 1 1 1 A 52 52 TRP CB C 52 29.159 29.836 -0.677 1
1 645 . 1 1 1 A 52 52 TRP N N 52 124.958 123.498 1.460 1
1 647 . 1 1 1 A 53 53 ARG H H 53 8.547 8.353 0.194 1
1 648 . 1 1 1 A 53 53 ARG HA H 53 3.578 3.456 0.122 1
1 654 . 1 1 1 A 53 53 ARG C C 53 177.290 178.794 -1.504 1
1 655 . 1 1 1 A 53 53 ARG CA C 53 60.443 59.468 0.975 1
1 656 . 1 1 1 A 53 53 ARG CB C 53 30.001 29.734 0.267 1
1 659 . 1 1 1 A 53 53 ARG N N 53 118.356 118.894 -0.538 1
1 660 . 1 1 1 A 54 54 GLU H H 54 8.002 7.658 0.344 1
1 661 . 1 1 1 A 54 54 GLU HA H 54 4.016 4.096 -0.080 1
1 666 . 1 1 1 A 54 54 GLU C C 54 178.460 178.129 0.331 1
1 667 . 1 1 1 A 54 54 GLU CA C 54 59.982 59.593 0.389 1
1 668 . 1 1 1 A 54 54 GLU CB C 54 29.759 29.145 0.614 1
1 670 . 1 1 1 A 54 54 GLU N N 54 118.818 119.205 -0.387 1
1 671 . 1 1 1 A 55 55 ASP H H 55 8.111 8.720 -0.609 1
1 672 . 1 1 1 A 55 55 ASP HA H 55 4.289 4.259 0.030 1
1 675 . 1 1 1 A 55 55 ASP C C 55 179.313 178.491 0.822 1
1 676 . 1 1 1 A 55 55 ASP CA C 55 57.131 57.593 -0.462 1
1 677 . 1 1 1 A 55 55 ASP CB C 55 40.227 42.229 -2.002 1
1 678 . 1 1 1 A 55 55 ASP N N 55 119.156 119.982 -0.826 1
1 679 . 1 1 1 A 56 56 GLN H H 56 8.099 7.721 0.378 1
1 680 . 1 1 1 A 56 56 GLN HA H 56 3.781 3.947 -0.166 1
1 687 . 1 1 1 A 56 56 GLN C C 56 178.700 178.502 0.198 1
1 688 . 1 1 1 A 56 56 GLN CA C 56 57.487 58.697 -1.210 1
1 689 . 1 1 1 A 56 56 GLN CB C 56 27.430 27.861 -0.431 1
1 692 . 1 1 1 A 56 56 GLN N N 56 119.807 118.053 1.754 1
1 694 . 1 1 1 A 57 57 ARG H H 57 8.240 7.664 0.576 1
1 695 . 1 1 1 A 57 57 ARG HA H 57 3.898 4.016 -0.118 1
1 702 . 1 1 1 A 57 57 ARG C C 57 178.185 178.607 -0.422 1
1 703 . 1 1 1 A 57 57 ARG CA C 57 60.671 59.023 1.648 1
1 704 . 1 1 1 A 57 57 ARG CB C 57 31.221 29.735 1.486 1
1 707 . 1 1 1 A 57 57 ARG N N 57 120.129 119.395 0.734 1
1 708 . 1 1 1 A 58 58 ILE H H 58 7.885 7.816 0.069 1
1 709 . 1 1 1 A 58 58 ILE HA H 58 3.978 3.877 0.101 1
1 719 . 1 1 1 A 58 58 ILE C C 58 178.357 178.121 0.236 1
1 720 . 1 1 1 A 58 58 ILE CA C 58 61.684 64.947 -3.263 1
1 721 . 1 1 1 A 58 58 ILE CB C 58 34.538 37.747 -3.209 1
1 725 . 1 1 1 A 58 58 ILE N N 58 118.096 121.311 -3.215 1
1 726 . 1 1 1 A 59 59 SER H H 59 8.563 8.066 0.497 1
1 727 . 1 1 1 A 59 59 SER HA H 59 4.010 4.123 -0.113 1
1 728 . 1 1 1 A 59 59 SER C C 59 177.731 177.227 0.504 1
1 729 . 1 1 1 A 59 59 SER CA C 59 62.459 61.398 1.061 1
1 730 . 1 1 1 A 59 59 SER N N 59 117.208 115.624 1.584 1
1 731 . 1 1 1 A 60 60 GLN H H 60 8.471 8.051 0.420 1
1 732 . 1 1 1 A 60 60 GLN HA H 60 4.228 4.025 0.203 1
1 739 . 1 1 1 A 60 60 GLN C C 60 177.958 177.587 0.371 1
1 740 . 1 1 1 A 60 60 GLN CA C 60 58.233 58.481 -0.248 1
1 741 . 1 1 1 A 60 60 GLN CB C 60 27.288 28.754 -1.466 1
1 744 . 1 1 1 A 60 60 GLN N N 60 121.780 120.623 1.157 1
1 746 . 1 1 1 A 61 61 ALA H H 61 8.504 8.029 0.475 1
1 747 . 1 1 1 A 61 61 ALA HA H 61 3.947 3.915 0.032 1
1 751 . 1 1 1 A 61 61 ALA C C 61 179.360 179.608 -0.248 1
1 752 . 1 1 1 A 61 61 ALA CA C 61 55.413 55.322 0.091 1
1 753 . 1 1 1 A 61 61 ALA CB C 61 18.124 18.272 -0.148 1
1 754 . 1 1 1 A 61 61 ALA N N 61 122.352 122.147 0.205 1
1 755 . 1 1 1 A 62 62 LYS H H 62 8.776 8.149 0.627 1
1 756 . 1 1 1 A 62 62 LYS HA H 62 3.722 4.190 -0.468 1
1 765 . 1 1 1 A 62 62 LYS C C 62 179.330 178.737 0.593 1
1 766 . 1 1 1 A 62 62 LYS CA C 62 60.632 59.271 1.361 1
1 767 . 1 1 1 A 62 62 LYS CB C 62 32.580 31.993 0.587 1
1 771 . 1 1 1 A 62 62 LYS N N 62 117.072 116.674 0.398 1
1 772 . 1 1 1 A 63 63 LEU H H 63 7.670 7.720 -0.050 1
1 773 . 1 1 1 A 63 63 LEU HA H 63 4.233 4.055 0.178 1
1 783 . 1 1 1 A 63 63 LEU C C 63 180.902 178.339 2.563 1
1 784 . 1 1 1 A 63 63 LEU CA C 63 58.446 58.066 0.380 1
1 785 . 1 1 1 A 63 63 LEU CB C 63 41.598 41.801 -0.203 1
1 789 . 1 1 1 A 63 63 LEU N N 63 121.196 121.465 -0.269 1
1 790 . 1 1 1 A 64 64 LEU H H 64 8.585 8.148 0.437 1
1 791 . 1 1 1 A 64 64 LEU HA H 64 4.088 3.988 0.100 1
1 801 . 1 1 1 A 64 64 LEU C C 64 180.869 179.157 1.712 1
1 802 . 1 1 1 A 64 64 LEU CA C 64 57.782 58.017 -0.235 1
1 803 . 1 1 1 A 64 64 LEU CB C 64 42.760 41.079 1.681 1
1 807 . 1 1 1 A 64 64 LEU N N 64 121.842 117.283 4.559 1
1 808 . 1 1 1 A 65 65 LEU H H 65 9.100 8.323 0.777 1
1 809 . 1 1 1 A 65 65 LEU HA H 65 4.346 4.259 0.087 1
1 819 . 1 1 1 A 65 65 LEU C C 65 178.659 179.511 -0.852 1
1 820 . 1 1 1 A 65 65 LEU CA C 65 57.408 57.606 -0.198 1
1 821 . 1 1 1 A 65 65 LEU CB C 65 43.013 41.132 1.881 1
1 825 . 1 1 1 A 65 65 LEU N N 65 119.872 120.348 -0.476 1
1 826 . 1 1 1 A 66 66 SER H H 66 8.303 7.620 0.683 1
1 827 . 1 1 1 A 66 66 SER HA H 66 4.211 4.164 0.047 1
1 829 . 1 1 1 A 66 66 SER C C 66 176.580 175.658 0.922 1
1 830 . 1 1 1 A 66 66 SER CA C 66 60.155 61.344 -1.189 1
1 831 . 1 1 1 A 66 66 SER CB C 66 65.198 62.642 2.556 1
1 832 . 1 1 1 A 66 66 SER N N 66 110.490 113.748 -3.258 1
1 833 . 1 1 1 A 67 67 THR H H 67 7.901 7.574 0.327 1
1 834 . 1 1 1 A 67 67 THR HA H 67 4.812 4.432 0.380 1
1 839 . 1 1 1 A 67 67 THR C C 67 174.240 174.155 0.085 1
1 840 . 1 1 1 A 67 67 THR CA C 67 62.400 62.719 -0.319 1
1 841 . 1 1 1 A 67 67 THR CB C 67 71.512 69.275 2.237 1
1 843 . 1 1 1 A 67 67 THR N N 67 108.414 114.813 -6.399 1
1 844 . 1 1 1 A 68 68 THR H H 68 7.507 7.169 0.338 1
1 845 . 1 1 1 A 68 68 THR HA H 68 5.096 4.823 0.273 1
1 850 . 1 1 1 A 68 68 THR C C 68 174.263 174.004 0.259 1
1 851 . 1 1 1 A 68 68 THR CA C 68 60.124 59.593 0.531 1
1 852 . 1 1 1 A 68 68 THR CB C 68 72.795 71.816 0.979 1
1 854 . 1 1 1 A 68 68 THR N N 68 111.673 112.231 -0.558 1
1 855 . 1 1 1 A 69 69 ARG H H 69 8.767 8.373 0.394 1
1 856 . 1 1 1 A 69 69 ARG HA H 69 4.422 4.643 -0.221 1
1 863 . 1 1 1 A 69 69 ARG C C 69 176.568 176.495 0.073 1
1 864 . 1 1 1 A 69 69 ARG CA C 69 53.692 55.160 -1.468 1
1 865 . 1 1 1 A 69 69 ARG CB C 69 28.814 30.726 -1.912 1
1 868 . 1 1 1 A 69 69 ARG N N 69 118.034 119.326 -1.292 1
1 869 . 1 1 1 A 70 70 MET H H 70 7.996 7.554 0.442 1
1 870 . 1 1 1 A 70 70 MET HA H 70 4.470 4.516 -0.046 1
1 878 . 1 1 1 A 70 70 MET CA C 70 55.386 55.142 0.244 1
1 879 . 1 1 1 A 70 70 MET CB C 70 34.080 32.286 1.794 1
1 882 . 1 1 1 A 70 70 MET N N 70 122.491 121.197 1.294 1
1 883 . 1 1 1 A 71 71 PRO HA H 71 4.574 4.485 0.089 1
1 890 . 1 1 1 A 71 71 PRO C C 71 177.204 177.149 0.055 1
1 891 . 1 1 1 A 71 71 PRO CA C 71 62.915 62.380 0.535 1
1 892 . 1 1 1 A 71 71 PRO CB C 71 32.380 32.601 -0.221 1
1 895 . 1 1 1 A 72 72 ILE H H 72 8.782 8.374 0.408 1
1 896 . 1 1 1 A 72 72 ILE HA H 72 3.407 3.695 -0.288 1
1 906 . 1 1 1 A 72 72 ILE C C 72 177.760 178.140 -0.380 1
1 907 . 1 1 1 A 72 72 ILE CA C 72 65.627 64.613 1.014 1
1 908 . 1 1 1 A 72 72 ILE CB C 72 36.771 37.674 -0.903 1
1 912 . 1 1 1 A 72 72 ILE N N 72 124.417 122.630 1.787 1
1 913 . 1 1 1 A 73 73 ALA H H 73 9.109 8.143 0.966 1
1 914 . 1 1 1 A 73 73 ALA HA H 73 3.974 4.039 -0.065 1
1 918 . 1 1 1 A 73 73 ALA C C 73 180.248 179.723 0.525 1
1 919 . 1 1 1 A 73 73 ALA CA C 73 55.232 55.224 0.008 1
1 920 . 1 1 1 A 73 73 ALA CB C 73 18.338 18.260 0.078 1
1 921 . 1 1 1 A 73 73 ALA N N 73 119.077 123.494 -4.417 1
1 922 . 1 1 1 A 74 74 THR H H 74 7.112 8.020 -0.908 1
1 923 . 1 1 1 A 74 74 THR HA H 74 3.875 3.914 -0.039 1
1 928 . 1 1 1 A 74 74 THR C C 74 175.761 176.437 -0.676 1
1 929 . 1 1 1 A 74 74 THR CA C 74 65.841 66.434 -0.593 1
1 930 . 1 1 1 A 74 74 THR CB C 74 68.248 67.942 0.306 1
1 932 . 1 1 1 A 74 74 THR N N 74 114.866 114.747 0.119 1
1 933 . 1 1 1 A 75 75 VAL H H 75 8.087 8.152 -0.065 1
1 934 . 1 1 1 A 75 75 VAL HA H 75 3.305 3.463 -0.158 1
1 942 . 1 1 1 A 75 75 VAL C C 75 177.048 177.523 -0.475 1
1 943 . 1 1 1 A 75 75 VAL CA C 75 67.681 66.379 1.302 1
1 944 . 1 1 1 A 75 75 VAL CB C 75 30.831 31.127 -0.296 1
1 947 . 1 1 1 A 75 75 VAL N N 75 123.901 121.237 2.664 1
1 948 . 1 1 1 A 76 76 GLY H H 76 7.673 7.896 -0.223 1
1 949 . 1 1 1 A 76 76 GLY HA2 H 76 2.235 3.265 -1.030 1
1 950 . 1 1 1 A 76 76 GLY HA3 H 76 3.003 3.624 -0.621 1
1 951 . 1 1 1 A 76 76 GLY C C 76 176.562 175.676 0.886 1
1 952 . 1 1 1 A 76 76 GLY CA C 76 46.293 46.923 -0.630 1
1 953 . 1 1 1 A 76 76 GLY N N 76 102.438 107.355 -4.917 1
1 954 . 1 1 1 A 77 77 ARG H H 77 7.760 8.008 -0.248 1
1 955 . 1 1 1 A 77 77 ARG HA H 77 3.982 4.017 -0.035 1
1 962 . 1 1 1 A 77 77 ARG C C 77 180.332 178.797 1.535 1
1 963 . 1 1 1 A 77 77 ARG CA C 77 59.550 59.254 0.296 1
1 964 . 1 1 1 A 77 77 ARG CB C 77 30.085 30.054 0.031 1
1 967 . 1 1 1 A 77 77 ARG N N 77 122.228 121.744 0.484 1
1 968 . 1 1 1 A 78 78 ASN H H 78 8.230 7.733 0.497 1
1 969 . 1 1 1 A 78 78 ASN HA H 78 4.397 4.468 -0.071 1
1 974 . 1 1 1 A 78 78 ASN C C 78 176.105 176.903 -0.798 1
1 975 . 1 1 1 A 78 78 ASN CA C 78 55.615 55.988 -0.373 1
1 976 . 1 1 1 A 78 78 ASN CB C 78 38.806 38.508 0.298 1
1 978 . 1 1 1 A 78 78 ASN N N 78 119.139 117.302 1.837 1
1 980 . 1 1 1 A 79 79 VAL H H 79 7.323 7.194 0.129 1
1 981 . 1 1 1 A 79 79 VAL HA H 79 4.438 4.401 0.037 1
1 989 . 1 1 1 A 79 79 VAL C C 79 174.220 175.839 -1.619 1
1 990 . 1 1 1 A 79 79 VAL CA C 79 59.911 60.620 -0.709 1
1 991 . 1 1 1 A 79 79 VAL CB C 79 31.400 30.996 0.404 1
1 994 . 1 1 1 A 79 79 VAL N N 79 108.664 110.906 -2.242 1
1 995 . 1 1 1 A 80 80 GLY H H 80 7.286 7.849 -0.563 1
1 996 . 1 1 1 A 80 80 GLY HA2 H 80 3.540 3.964 -0.424 1
1 997 . 1 1 1 A 80 80 GLY HA3 H 80 4.023 4.003 0.020 1
1 998 . 1 1 1 A 80 80 GLY C C 80 174.383 174.800 -0.417 1
1 999 . 1 1 1 A 80 80 GLY CA C 80 45.739 46.008 -0.269 1
1 1000 . 1 1 1 A 80 80 GLY N N 80 104.635 110.107 -5.472 1
1 1001 . 1 1 1 A 81 81 PHE H H 81 8.535 8.245 0.290 1
1 1002 . 1 1 1 A 81 81 PHE HA H 81 4.845 4.507 0.338 1
1 1010 . 1 1 1 A 81 81 PHE C C 81 174.570 175.566 -0.996 1
1 1011 . 1 1 1 A 81 81 PHE CA C 81 56.375 58.879 -2.504 1
1 1012 . 1 1 1 A 81 81 PHE CB C 81 39.941 38.896 1.045 1
1 1018 . 1 1 1 A 81 81 PHE N N 81 119.772 119.507 0.265 1
1 1019 . 1 1 1 A 82 82 ASP H H 82 8.564 8.965 -0.401 1
1 1020 . 1 1 1 A 82 82 ASP HA H 82 4.491 4.669 -0.178 1
1 1023 . 1 1 1 A 82 82 ASP C C 82 175.170 176.165 -0.995 1
1 1024 . 1 1 1 A 82 82 ASP CA C 82 55.195 56.360 -1.165 1
1 1025 . 1 1 1 A 82 82 ASP CB C 82 41.010 42.169 -1.159 1
1 1026 . 1 1 1 A 82 82 ASP N N 82 123.028 124.719 -1.691 1
1 1027 . 1 1 1 A 83 83 ASP H H 83 7.789 7.910 -0.121 1
1 1028 . 1 1 1 A 83 83 ASP HA H 83 4.947 4.959 -0.012 1
1 1031 . 1 1 1 A 83 83 ASP C C 83 176.347 177.019 -0.672 1
1 1032 . 1 1 1 A 83 83 ASP CA C 83 52.690 53.913 -1.223 1
1 1033 . 1 1 1 A 83 83 ASP CB C 83 43.152 41.952 1.200 1
1 1034 . 1 1 1 A 83 83 ASP N N 83 118.576 119.356 -0.780 1
1 1035 . 1 1 1 A 84 84 GLN H H 84 9.104 8.778 0.326 1
1 1036 . 1 1 1 A 84 84 GLN HA H 84 4.333 4.172 0.161 1
1 1043 . 1 1 1 A 84 84 GLN C C 84 177.986 178.147 -0.161 1
1 1044 . 1 1 1 A 84 84 GLN CA C 84 58.909 58.912 -0.003 1
1 1045 . 1 1 1 A 84 84 GLN CB C 84 28.267 27.866 0.401 1
1 1048 . 1 1 1 A 84 84 GLN N N 84 126.543 124.420 2.123 1
1 1050 . 1 1 1 A 85 85 LEU H H 85 8.419 8.198 0.221 1
1 1051 . 1 1 1 A 85 85 LEU HA H 85 4.210 4.364 -0.154 1
1 1061 . 1 1 1 A 85 85 LEU C C 85 179.472 179.013 0.459 1
1 1062 . 1 1 1 A 85 85 LEU CA C 85 57.958 57.660 0.298 1
1 1063 . 1 1 1 A 85 85 LEU CB C 85 40.678 41.923 -1.245 1
1 1067 . 1 1 1 A 85 85 LEU N N 85 123.486 121.665 1.821 1
1 1068 . 1 1 1 A 86 86 TYR H H 86 8.042 8.534 -0.492 1
1 1069 . 1 1 1 A 86 86 TYR HA H 86 4.288 4.190 0.098 1
1 1076 . 1 1 1 A 86 86 TYR C C 86 177.195 177.650 -0.455 1
1 1077 . 1 1 1 A 86 86 TYR CA C 86 60.367 61.806 -1.439 1
1 1078 . 1 1 1 A 86 86 TYR CB C 86 38.184 38.467 -0.283 1
1 1083 . 1 1 1 A 86 86 TYR N N 86 122.679 120.153 2.526 1
1 1084 . 1 1 1 A 87 87 PHE H H 87 8.219 8.210 0.009 1
1 1085 . 1 1 1 A 87 87 PHE HA H 87 3.261 4.054 -0.793 1
1 1093 . 1 1 1 A 87 87 PHE C C 87 175.875 177.791 -1.916 1
1 1094 . 1 1 1 A 87 87 PHE CA C 87 58.536 62.180 -3.644 1
1 1095 . 1 1 1 A 87 87 PHE CB C 87 38.124 39.310 -1.186 1
1 1101 . 1 1 1 A 87 87 PHE N N 87 116.536 121.048 -4.512 1
1 1102 . 1 1 1 A 88 88 SER H H 88 8.082 8.285 -0.203 1
1 1103 . 1 1 1 A 88 88 SER HA H 88 3.951 3.988 -0.037 1
1 1105 . 1 1 1 A 88 88 SER C C 88 175.926 177.089 -1.163 1
1 1106 . 1 1 1 A 88 88 SER CA C 88 62.398 61.625 0.773 1
1 1107 . 1 1 1 A 88 88 SER N N 88 112.937 113.707 -0.770 1
1 1108 . 1 1 1 A 89 89 ARG H H 89 7.843 8.219 -0.376 1
1 1109 . 1 1 1 A 89 89 ARG HA H 89 3.975 4.124 -0.149 1
1 1116 . 1 1 1 A 89 89 ARG C C 89 179.414 178.884 0.530 1
1 1117 . 1 1 1 A 89 89 ARG CA C 89 59.452 59.263 0.189 1
1 1118 . 1 1 1 A 89 89 ARG CB C 89 30.242 30.188 0.054 1
1 1121 . 1 1 1 A 89 89 ARG N N 89 121.621 122.231 -0.610 1
1 1122 . 1 1 1 A 90 90 VAL H H 90 8.235 7.872 0.363 1
1 1123 . 1 1 1 A 90 90 VAL HA H 90 3.530 3.559 -0.029 1
1 1131 . 1 1 1 A 90 90 VAL C C 90 177.752 177.992 -0.240 1
1 1132 . 1 1 1 A 90 90 VAL CA C 90 66.208 66.298 -0.090 1
1 1133 . 1 1 1 A 90 90 VAL CB C 90 31.649 31.806 -0.157 1
1 1136 . 1 1 1 A 90 90 VAL N N 90 122.095 119.958 2.137 1
1 1137 . 1 1 1 A 91 91 PHE H H 91 8.763 8.584 0.179 1
1 1138 . 1 1 1 A 91 91 PHE HA H 91 3.584 3.858 -0.274 1
1 1141 . 1 1 1 A 91 91 PHE C C 91 178.386 177.269 1.117 1
1 1142 . 1 1 1 A 91 91 PHE CA C 91 62.523 60.421 2.102 1
1 1143 . 1 1 1 A 91 91 PHE CB C 91 39.528 38.304 1.224 1
1 1144 . 1 1 1 A 91 91 PHE N N 91 121.769 119.973 1.796 1
1 1145 . 1 1 1 A 92 92 LYS H H 92 8.237 8.399 -0.162 1
1 1146 . 1 1 1 A 92 92 LYS HA H 92 4.217 4.280 -0.063 1
1 1153 . 1 1 1 A 92 92 LYS C C 92 179.621 179.325 0.296 1
1 1154 . 1 1 1 A 92 92 LYS CA C 92 58.597 60.059 -1.462 1
1 1155 . 1 1 1 A 92 92 LYS CB C 92 32.290 32.747 -0.457 1
1 1159 . 1 1 1 A 92 92 LYS N N 92 121.441 118.527 2.914 1
1 1160 . 1 1 1 A 93 93 LYS H H 93 8.013 7.607 0.406 1
1 1161 . 1 1 1 A 93 93 LYS HA H 93 3.956 4.056 -0.100 1
1 1169 . 1 1 1 A 93 93 LYS C C 93 178.611 179.370 -0.759 1
1 1170 . 1 1 1 A 93 93 LYS CA C 93 59.356 58.989 0.367 1
1 1171 . 1 1 1 A 93 93 LYS CB C 93 31.785 31.740 0.045 1
1 1175 . 1 1 1 A 93 93 LYS N N 93 122.286 118.236 4.050 1
1 1176 . 1 1 1 A 94 94 CYS H H 94 7.818 7.757 0.061 1
1 1177 . 1 1 1 A 94 94 CYS HA H 94 4.224 3.905 0.319 1
1 1180 . 1 1 1 A 94 94 CYS C C 94 176.440 175.747 0.693 1
1 1181 . 1 1 1 A 94 94 CYS CA C 94 62.517 62.393 0.124 1
1 1182 . 1 1 1 A 94 94 CYS CB C 94 28.104 26.196 1.908 1
1 1183 . 1 1 1 A 94 94 CYS N N 94 113.581 118.788 -5.207 1
1 1184 . 1 1 1 A 95 95 THR H H 95 8.038 7.075 0.963 1
1 1185 . 1 1 1 A 95 95 THR HA H 95 4.397 4.326 0.071 1
1 1190 . 1 1 1 A 95 95 THR C C 95 176.237 175.720 0.517 1
1 1191 . 1 1 1 A 95 95 THR CA C 95 62.507 61.657 0.850 1
1 1192 . 1 1 1 A 95 95 THR CB C 95 71.481 70.500 0.981 1
1 1194 . 1 1 1 A 95 95 THR N N 95 106.903 108.338 -1.435 1
1 1195 . 1 1 1 A 96 96 GLY H H 96 8.526 8.725 -0.199 1
1 1196 . 1 1 1 A 96 96 GLY HA2 H 96 3.724 3.831 -0.107 1
1 1197 . 1 1 1 A 96 96 GLY HA3 H 96 4.374 3.835 0.539 1
1 1198 . 1 1 1 A 96 96 GLY C C 96 172.550 173.319 -0.769 1
1 1199 . 1 1 1 A 96 96 GLY CA C 96 45.264 45.204 0.060 1
1 1200 . 1 1 1 A 96 96 GLY N N 96 112.762 111.424 1.338 1
1 1201 . 1 1 1 A 97 97 ALA H H 97 8.560 6.996 1.564 1
1 1202 . 1 1 1 A 97 97 ALA HA H 97 4.841 4.808 0.033 1
1 1206 . 1 1 1 A 97 97 ALA C C 97 175.280 175.992 -0.712 1
1 1207 . 1 1 1 A 97 97 ALA CA C 97 50.176 51.092 -0.916 1
1 1208 . 1 1 1 A 97 97 ALA CB C 97 22.551 22.895 -0.344 1
1 1209 . 1 1 1 A 97 97 ALA N N 97 125.656 120.904 4.752 1
1 1210 . 1 1 1 A 98 98 SER H H 98 8.817 8.829 -0.012 1
1 1211 . 1 1 1 A 98 98 SER HA H 98 4.656 4.962 -0.306 1
1 1212 . 1 1 1 A 98 98 SER CA C 98 56.612 56.862 -0.250 1
1 1213 . 1 1 1 A 98 98 SER N N 98 114.919 114.891 0.028 1
1 1214 . 1 1 1 A 99 99 PRO HA H 99 3.500 4.496 -0.996 1
1 1220 . 1 1 1 A 99 99 PRO C C 99 177.585 177.961 -0.376 1
1 1221 . 1 1 1 A 99 99 PRO CA C 99 66.202 64.706 1.496 1
1 1222 . 1 1 1 A 99 99 PRO CB C 99 32.030 31.896 0.134 1
1 1225 . 1 1 1 A 100 100 SER H H 100 8.254 7.855 0.399 1
1 1226 . 1 1 1 A 100 100 SER HA H 100 4.029 4.279 -0.250 1
1 1227 . 1 1 1 A 100 100 SER C C 100 177.441 177.010 0.431 1
1 1228 . 1 1 1 A 100 100 SER CA C 100 61.891 60.990 0.901 1
1 1229 . 1 1 1 A 100 100 SER N N 100 111.230 112.226 -0.996 1
1 1230 . 1 1 1 A 101 101 GLU H H 101 7.848 7.678 0.170 1
1 1231 . 1 1 1 A 101 101 GLU HA H 101 4.021 4.086 -0.065 1
1 1236 . 1 1 1 A 101 101 GLU C C 101 179.288 178.742 0.546 1
1 1237 . 1 1 1 A 101 101 GLU CA C 101 58.822 59.394 -0.572 1
1 1238 . 1 1 1 A 101 101 GLU CB C 101 29.846 29.597 0.249 1
1 1240 . 1 1 1 A 101 101 GLU N N 101 125.150 121.410 3.740 1
1 1241 . 1 1 1 A 102 102 PHE H H 102 8.923 8.115 0.808 1
1 1242 . 1 1 1 A 102 102 PHE HA H 102 4.155 4.169 -0.014 1
1 1245 . 1 1 1 A 102 102 PHE C C 102 178.343 177.490 0.853 1
1 1246 . 1 1 1 A 102 102 PHE CA C 102 61.315 61.579 -0.264 1
1 1247 . 1 1 1 A 102 102 PHE CB C 102 40.083 39.505 0.578 1
1 1248 . 1 1 1 A 102 102 PHE N N 102 121.281 120.759 0.522 1
1 1249 . 1 1 1 A 103 103 ARG H H 103 8.210 8.292 -0.082 1
1 1250 . 1 1 1 A 103 103 ARG HA H 103 3.830 3.742 0.088 1
1 1257 . 1 1 1 A 103 103 ARG C C 103 177.602 178.209 -0.607 1
1 1258 . 1 1 1 A 103 103 ARG CA C 103 59.235 59.420 -0.185 1
1 1261 . 1 1 1 A 103 103 ARG N N 103 119.223 118.657 0.566 1
1 1262 . 1 1 1 A 104 104 ALA H H 104 7.905 7.239 0.666 1
1 1263 . 1 1 1 A 104 104 ALA HA H 104 4.186 4.240 -0.054 1
1 1267 . 1 1 1 A 104 104 ALA C C 104 179.126 177.956 1.170 1
1 1268 . 1 1 1 A 104 104 ALA CA C 104 54.188 52.372 1.816 1
1 1269 . 1 1 1 A 104 104 ALA CB C 104 18.254 19.605 -1.351 1
1 1270 . 1 1 1 A 104 104 ALA N N 104 120.546 119.194 1.352 1
1 1271 . 1 1 1 A 105 105 GLY H H 105 7.676 7.875 -0.199 1
1 1272 . 1 1 1 A 105 105 GLY HA2 H 105 3.849 3.905 -0.056 1
1 1273 . 1 1 1 A 105 105 GLY HA3 H 105 4.052 3.916 0.136 1
1 1274 . 1 1 1 A 105 105 GLY C C 105 174.515 174.454 0.061 1
1 1275 . 1 1 1 A 105 105 GLY CA C 105 45.317 45.821 -0.504 1
1 1276 . 1 1 1 A 105 105 GLY N N 105 104.677 107.458 -2.781 1
1 1277 . 1 1 1 A 106 106 CYS H H 106 7.599 7.586 0.013 1
1 1278 . 1 1 1 A 106 106 CYS HA H 106 4.447 4.511 -0.064 1
1 1281 . 1 1 1 A 106 106 CYS C C 106 173.823 174.970 -1.147 1
1 1282 . 1 1 1 A 106 106 CYS CA C 106 59.123 59.420 -0.297 1
1 1283 . 1 1 1 A 106 106 CYS CB C 106 28.004 28.387 -0.383 1
1 1284 . 1 1 1 A 106 106 CYS N N 106 118.321 120.072 -1.751 1
1 14 . 2 1 1 A 2 2 ASP H H 2 8.989 8.554 0.435 1
1 15 . 2 1 1 A 2 2 ASP HA H 2 4.662 4.606 0.056 1
1 18 . 2 1 1 A 2 2 ASP C C 2 177.024 177.120 -0.096 1
1 19 . 2 1 1 A 2 2 ASP CA C 2 54.092 54.243 -0.151 1
1 20 . 2 1 1 A 2 2 ASP CB C 2 42.743 42.878 -0.135 1
1 21 . 2 1 1 A 2 2 ASP N N 2 126.287 120.279 6.008 1
1 22 . 2 1 1 A 3 3 ASN H H 3 9.165 9.133 0.032 1
1 23 . 2 1 1 A 3 3 ASN HA H 3 4.446 4.263 0.183 1
1 28 . 2 1 1 A 3 3 ASN C C 3 177.306 177.139 0.167 1
1 29 . 2 1 1 A 3 3 ASN CA C 3 56.355 57.451 -1.096 1
1 30 . 2 1 1 A 3 3 ASN CB C 3 38.382 39.059 -0.677 1
1 32 . 2 1 1 A 3 3 ASN N N 3 124.055 125.240 -1.185 1
1 34 . 2 1 1 A 4 4 ARG H H 4 9.092 7.765 1.327 1
1 35 . 2 1 1 A 4 4 ARG HA H 4 4.183 4.070 0.113 1
1 42 . 2 1 1 A 4 4 ARG C C 4 178.824 178.771 0.053 1
1 43 . 2 1 1 A 4 4 ARG CA C 4 59.401 59.234 0.167 1
1 44 . 2 1 1 A 4 4 ARG CB C 4 29.437 29.693 -0.256 1
1 47 . 2 1 1 A 4 4 ARG N N 4 119.970 118.871 1.099 1
1 48 . 2 1 1 A 5 5 VAL H H 5 7.588 7.877 -0.289 1
1 49 . 2 1 1 A 5 5 VAL HA H 5 3.458 3.540 -0.082 1
1 57 . 2 1 1 A 5 5 VAL C C 5 177.573 177.656 -0.083 1
1 58 . 2 1 1 A 5 5 VAL CA C 5 66.543 66.682 -0.139 1
1 59 . 2 1 1 A 5 5 VAL CB C 5 31.294 31.223 0.071 1
1 62 . 2 1 1 A 5 5 VAL N N 5 119.312 119.824 -0.512 1
1 63 . 2 1 1 A 6 6 ARG H H 6 7.920 8.655 -0.735 1
1 64 . 2 1 1 A 6 6 ARG HA H 6 3.860 3.893 -0.033 1
1 71 . 2 1 1 A 6 6 ARG C C 6 179.380 178.648 0.732 1
1 72 . 2 1 1 A 6 6 ARG CA C 6 60.197 60.087 0.110 1
1 73 . 2 1 1 A 6 6 ARG CB C 6 29.818 30.034 -0.216 1
1 76 . 2 1 1 A 6 6 ARG N N 6 120.863 119.746 1.117 1
1 77 . 2 1 1 A 7 7 GLU H H 7 8.262 7.965 0.297 1
1 78 . 2 1 1 A 7 7 GLU HA H 7 4.241 4.168 0.073 1
1 83 . 2 1 1 A 7 7 GLU C C 7 179.131 178.808 0.323 1
1 84 . 2 1 1 A 7 7 GLU CA C 7 58.770 59.489 -0.719 1
1 85 . 2 1 1 A 7 7 GLU CB C 7 28.883 29.279 -0.396 1
1 87 . 2 1 1 A 7 7 GLU N N 7 119.166 119.176 -0.010 1
1 88 . 2 1 1 A 8 8 ALA H H 8 8.421 8.300 0.121 1
1 89 . 2 1 1 A 8 8 ALA HA H 8 4.046 4.368 -0.322 1
1 93 . 2 1 1 A 8 8 ALA C C 8 179.202 179.854 -0.652 1
1 94 . 2 1 1 A 8 8 ALA CA C 8 55.610 55.266 0.344 1
1 95 . 2 1 1 A 8 8 ALA CB C 8 18.512 18.677 -0.165 1
1 96 . 2 1 1 A 8 8 ALA N N 8 123.947 121.258 2.689 1
1 97 . 2 1 1 A 9 9 CYS H H 9 8.490 7.784 0.706 1
1 98 . 2 1 1 A 9 9 CYS HA H 9 3.767 4.484 -0.717 1
1 101 . 2 1 1 A 9 9 CYS C C 9 176.858 177.176 -0.318 1
1 102 . 2 1 1 A 9 9 CYS CA C 9 64.480 62.592 1.888 1
1 103 . 2 1 1 A 9 9 CYS CB C 9 26.690 27.352 -0.662 1
1 104 . 2 1 1 A 9 9 CYS N N 9 116.232 118.270 -2.038 1
1 105 . 2 1 1 A 10 10 GLN H H 10 8.088 8.193 -0.105 1
1 106 . 2 1 1 A 10 10 GLN HA H 10 4.022 4.209 -0.187 1
1 113 . 2 1 1 A 10 10 GLN C C 10 177.140 178.000 -0.860 1
1 114 . 2 1 1 A 10 10 GLN CA C 10 58.804 58.737 0.067 1
1 115 . 2 1 1 A 10 10 GLN CB C 10 28.299 28.776 -0.477 1
1 118 . 2 1 1 A 10 10 GLN N N 10 120.817 120.574 0.243 1
1 120 . 2 1 1 A 11 11 TYR H H 11 8.367 7.664 0.703 1
1 121 . 2 1 1 A 11 11 TYR HA H 11 4.308 4.171 0.137 1
1 128 . 2 1 1 A 11 11 TYR C C 11 178.986 177.136 1.850 1
1 129 . 2 1 1 A 11 11 TYR CA C 11 61.850 61.468 0.382 1
1 130 . 2 1 1 A 11 11 TYR CB C 11 38.653 38.515 0.138 1
1 135 . 2 1 1 A 11 11 TYR N N 11 120.419 120.821 -0.402 1
1 136 . 2 1 1 A 12 12 ILE H H 12 8.886 8.625 0.261 1
1 137 . 2 1 1 A 12 12 ILE HA H 12 3.700 3.373 0.327 1
1 147 . 2 1 1 A 12 12 ILE C C 12 179.352 177.952 1.400 1
1 148 . 2 1 1 A 12 12 ILE CA C 12 65.621 65.170 0.451 1
1 149 . 2 1 1 A 12 12 ILE CB C 12 38.203 37.920 0.283 1
1 153 . 2 1 1 A 12 12 ILE N N 12 119.720 121.567 -1.847 1
1 154 . 2 1 1 A 13 13 SER H H 13 8.740 8.339 0.401 1
1 155 . 2 1 1 A 13 13 SER HA H 13 4.753 4.114 0.639 1
1 158 . 2 1 1 A 13 13 SER C C 13 176.355 176.719 -0.364 1
1 159 . 2 1 1 A 13 13 SER CA C 13 62.551 61.865 0.686 1
1 160 . 2 1 1 A 13 13 SER CB C 13 62.468 62.768 -0.300 1
1 161 . 2 1 1 A 13 13 SER N N 13 116.217 117.104 -0.887 1
1 162 . 2 1 1 A 14 14 ASP H H 14 8.426 7.966 0.460 1
1 163 . 2 1 1 A 14 14 ASP HA H 14 4.438 4.390 0.048 1
1 166 . 2 1 1 A 14 14 ASP C C 14 176.838 177.477 -0.639 1
1 167 . 2 1 1 A 14 14 ASP CA C 14 55.988 56.674 -0.686 1
1 168 . 2 1 1 A 14 14 ASP CB C 14 40.500 40.833 -0.333 1
1 169 . 2 1 1 A 14 14 ASP N N 14 121.201 121.327 -0.126 1
1 170 . 2 1 1 A 15 15 HIS H H 15 7.530 7.479 0.051 1
1 171 . 2 1 1 A 15 15 HIS HA H 15 4.661 4.691 -0.030 1
1 176 . 2 1 1 A 15 15 HIS C C 15 175.451 175.600 -0.149 1
1 177 . 2 1 1 A 15 15 HIS CA C 15 55.320 54.886 0.434 1
1 178 . 2 1 1 A 15 15 HIS CB C 15 28.275 29.561 -1.286 1
1 181 . 2 1 1 A 15 15 HIS N N 15 116.777 114.834 1.943 1
1 182 . 2 1 1 A 16 16 LEU H H 16 7.271 7.441 -0.170 1
1 183 . 2 1 1 A 16 16 LEU HA H 16 3.812 3.782 0.030 1
1 193 . 2 1 1 A 16 16 LEU C C 16 176.627 178.167 -1.540 1
1 194 . 2 1 1 A 16 16 LEU CA C 16 58.076 57.646 0.430 1
1 195 . 2 1 1 A 16 16 LEU CB C 16 42.531 41.398 1.133 1
1 199 . 2 1 1 A 16 16 LEU N N 16 122.531 122.440 0.091 1
1 200 . 2 1 1 A 17 17 ALA H H 17 8.243 7.253 0.990 1
1 201 . 2 1 1 A 17 17 ALA HA H 17 3.937 4.326 -0.389 1
1 205 . 2 1 1 A 17 17 ALA C C 17 177.131 177.056 0.075 1
1 206 . 2 1 1 A 17 17 ALA CA C 17 51.802 51.846 -0.044 1
1 207 . 2 1 1 A 17 17 ALA CB C 17 18.473 20.124 -1.651 1
1 208 . 2 1 1 A 17 17 ALA N N 17 116.354 119.543 -3.189 1
1 209 . 2 1 1 A 18 18 ASP H H 18 7.488 7.307 0.181 1
1 210 . 2 1 1 A 18 18 ASP HA H 18 4.455 4.418 0.037 1
1 213 . 2 1 1 A 18 18 ASP C C 18 177.370 177.230 0.140 1
1 214 . 2 1 1 A 18 18 ASP CA C 18 54.571 54.430 0.141 1
1 215 . 2 1 1 A 18 18 ASP CB C 18 40.521 42.856 -2.335 1
1 216 . 2 1 1 A 18 18 ASP N N 18 119.230 118.793 0.437 1
1 217 . 2 1 1 A 19 19 SER H H 19 8.793 8.759 0.034 1
1 218 . 2 1 1 A 19 19 SER HA H 19 4.424 4.378 0.046 1
1 221 . 2 1 1 A 19 19 SER C C 19 174.779 174.222 0.557 1
1 222 . 2 1 1 A 19 19 SER CA C 19 59.706 61.105 -1.399 1
1 223 . 2 1 1 A 19 19 SER CB C 19 63.351 63.416 -0.065 1
1 224 . 2 1 1 A 19 19 SER N N 19 119.892 118.920 0.972 1
1 225 . 2 1 1 A 20 20 ASN H H 20 8.520 7.902 0.618 1
1 226 . 2 1 1 A 20 20 ASN HA H 20 4.869 4.742 0.127 1
1 231 . 2 1 1 A 20 20 ASN C C 20 173.838 174.838 -1.000 1
1 232 . 2 1 1 A 20 20 ASN CA C 20 52.586 52.666 -0.080 1
1 233 . 2 1 1 A 20 20 ASN CB C 20 38.799 38.817 -0.018 1
1 235 . 2 1 1 A 20 20 ASN N N 20 119.769 120.151 -0.382 1
1 237 . 2 1 1 A 21 21 PHE H H 21 8.082 9.003 -0.921 1
1 238 . 2 1 1 A 21 21 PHE HA H 21 4.397 5.375 -0.978 1
1 246 . 2 1 1 A 21 21 PHE C C 21 173.520 173.552 -0.032 1
1 247 . 2 1 1 A 21 21 PHE CA C 21 58.672 55.610 3.062 1
1 248 . 2 1 1 A 21 21 PHE CB C 21 40.704 41.660 -0.956 1
1 254 . 2 1 1 A 21 21 PHE N N 21 121.875 128.519 -6.644 1
1 255 . 2 1 1 A 22 22 ASP H H 22 7.570 8.645 -1.075 1
1 256 . 2 1 1 A 22 22 ASP HA H 22 4.563 5.135 -0.572 1
1 259 . 2 1 1 A 22 22 ASP C C 22 175.674 176.424 -0.750 1
1 260 . 2 1 1 A 22 22 ASP CA C 22 52.049 52.404 -0.355 1
1 261 . 2 1 1 A 22 22 ASP CB C 22 43.023 42.759 0.264 1
1 262 . 2 1 1 A 22 22 ASP N N 22 126.780 125.101 1.679 1
1 263 . 2 1 1 A 23 23 ILE H H 23 8.720 8.504 0.216 1
1 264 . 2 1 1 A 23 23 ILE HA H 23 3.555 3.781 -0.226 1
1 274 . 2 1 1 A 23 23 ILE C C 23 176.441 177.502 -1.061 1
1 275 . 2 1 1 A 23 23 ILE CA C 23 63.650 63.255 0.395 1
1 276 . 2 1 1 A 23 23 ILE CB C 23 37.741 37.792 -0.051 1
1 280 . 2 1 1 A 23 23 ILE N N 23 124.815 123.200 1.615 1
1 281 . 2 1 1 A 24 24 ALA H H 24 8.543 8.339 0.204 1
1 282 . 2 1 1 A 24 24 ALA HA H 24 3.917 4.032 -0.115 1
1 286 . 2 1 1 A 24 24 ALA C C 24 180.227 179.590 0.637 1
1 287 . 2 1 1 A 24 24 ALA CA C 24 55.413 55.506 -0.093 1
1 288 . 2 1 1 A 24 24 ALA CB C 24 17.760 18.224 -0.464 1
1 289 . 2 1 1 A 24 24 ALA N N 24 123.943 124.470 -0.527 1
1 290 . 2 1 1 A 25 25 SER H H 25 7.844 7.953 -0.109 1
1 291 . 2 1 1 A 25 25 SER HA H 25 4.246 4.083 0.163 1
1 293 . 2 1 1 A 25 25 SER C C 25 176.667 177.000 -0.333 1
1 294 . 2 1 1 A 25 25 SER CA C 25 61.238 61.274 -0.036 1
1 295 . 2 1 1 A 25 25 SER CB C 25 62.402 63.105 -0.703 1
1 296 . 2 1 1 A 25 25 SER N N 25 114.143 113.205 0.938 1
1 297 . 2 1 1 A 26 26 VAL H H 26 7.086 7.887 -0.801 1
1 298 . 2 1 1 A 26 26 VAL HA H 26 3.198 3.604 -0.406 1
1 306 . 2 1 1 A 26 26 VAL C C 26 176.670 178.071 -1.401 1
1 307 . 2 1 1 A 26 26 VAL CA C 26 64.809 66.640 -1.831 1
1 308 . 2 1 1 A 26 26 VAL CB C 26 31.274 31.508 -0.234 1
1 311 . 2 1 1 A 26 26 VAL N N 26 122.369 121.753 0.616 1
1 312 . 2 1 1 A 27 27 ALA H H 27 8.043 8.151 -0.108 1
1 313 . 2 1 1 A 27 27 ALA HA H 27 3.775 3.985 -0.210 1
1 317 . 2 1 1 A 27 27 ALA C C 27 178.948 179.414 -0.466 1
1 318 . 2 1 1 A 27 27 ALA CA C 27 55.507 55.588 -0.081 1
1 319 . 2 1 1 A 27 27 ALA CB C 27 17.412 17.677 -0.265 1
1 320 . 2 1 1 A 27 27 ALA N N 27 122.045 122.106 -0.061 1
1 321 . 2 1 1 A 28 28 GLN H H 28 8.089 7.906 0.183 1
1 322 . 2 1 1 A 28 28 GLN HA H 28 4.053 4.050 0.003 1
1 329 . 2 1 1 A 28 28 GLN C C 28 179.289 178.430 0.859 1
1 330 . 2 1 1 A 28 28 GLN CA C 28 58.625 58.751 -0.126 1
1 331 . 2 1 1 A 28 28 GLN CB C 28 28.155 28.182 -0.027 1
1 334 . 2 1 1 A 28 28 GLN N N 28 116.168 118.439 -2.271 1
1 336 . 2 1 1 A 29 29 HIS H H 29 7.454 7.840 -0.386 1
1 337 . 2 1 1 A 29 29 HIS HA H 29 4.209 4.072 0.137 1
1 342 . 2 1 1 A 29 29 HIS C C 29 175.895 176.834 -0.939 1
1 343 . 2 1 1 A 29 29 HIS CA C 29 59.132 59.283 -0.151 1
1 344 . 2 1 1 A 29 29 HIS CB C 29 28.947 29.641 -0.694 1
1 347 . 2 1 1 A 29 29 HIS N N 29 118.117 119.893 -1.776 1
1 348 . 2 1 1 A 30 30 VAL H H 30 7.309 7.028 0.281 1
1 349 . 2 1 1 A 30 30 VAL HA H 30 4.441 4.077 0.364 1
1 357 . 2 1 1 A 30 30 VAL C C 30 173.598 174.287 -0.689 1
1 358 . 2 1 1 A 30 30 VAL CA C 30 59.948 60.485 -0.537 1
1 359 . 2 1 1 A 30 30 VAL CB C 30 31.067 30.922 0.145 1
1 362 . 2 1 1 A 30 30 VAL N N 30 106.791 109.339 -2.548 1
1 363 . 2 1 1 A 31 31 CYS H H 31 7.837 7.964 -0.127 1
1 364 . 2 1 1 A 31 31 CYS HA H 31 3.929 4.111 -0.182 1
1 367 . 2 1 1 A 31 31 CYS C C 31 173.679 173.319 0.360 1
1 368 . 2 1 1 A 31 31 CYS CA C 31 59.814 60.418 -0.604 1
1 369 . 2 1 1 A 31 31 CYS CB C 31 24.898 25.936 -1.038 1
1 370 . 2 1 1 A 31 31 CYS N N 31 116.363 117.078 -0.715 1
1 371 . 2 1 1 A 32 32 LEU H H 32 8.061 7.863 0.198 1
1 372 . 2 1 1 A 32 32 LEU HA H 32 4.871 4.843 0.028 1
1 382 . 2 1 1 A 32 32 LEU C C 32 176.243 175.322 0.921 1
1 383 . 2 1 1 A 32 32 LEU CA C 32 52.555 53.372 -0.817 1
1 384 . 2 1 1 A 32 32 LEU CB C 32 48.238 45.952 2.286 1
1 388 . 2 1 1 A 32 32 LEU N N 32 118.159 120.270 -2.111 1
1 389 . 2 1 1 A 33 33 SER H H 33 8.221 8.721 -0.500 1
1 390 . 2 1 1 A 33 33 SER N N 33 116.259 118.693 -2.434 1
1 391 . 2 1 1 A 34 34 PRO HA H 34 3.951 4.382 -0.431 1
1 398 . 2 1 1 A 34 34 PRO C C 34 178.473 177.884 0.589 1
1 399 . 2 1 1 A 34 34 PRO CA C 34 66.404 64.862 1.542 1
1 400 . 2 1 1 A 34 34 PRO CB C 34 31.712 32.057 -0.345 1
1 403 . 2 1 1 A 35 35 SER H H 35 8.343 8.245 0.098 1
1 404 . 2 1 1 A 35 35 SER HA H 35 4.192 4.251 -0.059 1
1 406 . 2 1 1 A 35 35 SER C C 35 177.361 177.368 -0.007 1
1 407 . 2 1 1 A 35 35 SER CA C 35 61.358 61.394 -0.036 1
1 408 . 2 1 1 A 35 35 SER CB C 35 62.140 62.940 -0.800 1
1 409 . 2 1 1 A 35 35 SER N N 35 111.653 112.355 -0.702 1
1 410 . 2 1 1 A 36 36 ARG H H 36 7.868 7.911 -0.043 1
1 411 . 2 1 1 A 36 36 ARG HA H 36 4.243 4.081 0.162 1
1 418 . 2 1 1 A 36 36 ARG C C 36 178.850 179.112 -0.262 1
1 419 . 2 1 1 A 36 36 ARG CA C 36 58.714 58.889 -0.175 1
1 420 . 2 1 1 A 36 36 ARG CB C 36 29.804 29.974 -0.170 1
1 423 . 2 1 1 A 36 36 ARG N N 36 124.303 121.744 2.559 1
1 424 . 2 1 1 A 37 37 LEU H H 37 8.593 8.101 0.492 1
1 425 . 2 1 1 A 37 37 LEU HA H 37 4.052 4.126 -0.074 1
1 435 . 2 1 1 A 37 37 LEU C C 37 177.894 178.446 -0.552 1
1 436 . 2 1 1 A 37 37 LEU CA C 37 58.289 58.462 -0.173 1
1 437 . 2 1 1 A 37 37 LEU CB C 37 40.775 41.861 -1.086 1
1 441 . 2 1 1 A 37 37 LEU N N 37 119.319 122.141 -2.822 1
1 442 . 2 1 1 A 38 38 SER H H 38 8.478 8.480 -0.002 1
1 443 . 2 1 1 A 38 38 SER HA H 38 4.066 4.228 -0.162 1
1 444 . 2 1 1 A 38 38 SER C C 38 176.577 176.901 -0.324 1
1 445 . 2 1 1 A 38 38 SER CA C 38 62.824 60.966 1.858 1
1 446 . 2 1 1 A 38 38 SER N N 38 113.612 115.044 -1.432 1
1 447 . 2 1 1 A 39 39 HIS H H 39 7.983 7.628 0.355 1
1 448 . 2 1 1 A 39 39 HIS HA H 39 4.403 4.272 0.131 1
1 453 . 2 1 1 A 39 39 HIS C C 39 177.138 176.773 0.365 1
1 454 . 2 1 1 A 39 39 HIS CA C 39 59.316 60.034 -0.718 1
1 455 . 2 1 1 A 39 39 HIS CB C 39 29.226 30.148 -0.922 1
1 458 . 2 1 1 A 39 39 HIS N N 39 119.938 121.535 -1.597 1
1 459 . 2 1 1 A 40 40 LEU H H 40 8.432 8.245 0.187 1
1 460 . 2 1 1 A 40 40 LEU HA H 40 4.045 4.015 0.030 1
1 470 . 2 1 1 A 40 40 LEU C C 40 178.876 179.169 -0.293 1
1 471 . 2 1 1 A 40 40 LEU CA C 40 57.990 57.846 0.144 1
1 472 . 2 1 1 A 40 40 LEU CB C 40 42.609 41.816 0.793 1
1 476 . 2 1 1 A 40 40 LEU N N 40 120.053 118.887 1.166 1
1 477 . 2 1 1 A 41 41 PHE H H 41 8.937 8.734 0.203 1
1 478 . 2 1 1 A 41 41 PHE HA H 41 3.736 3.935 -0.199 1
1 486 . 2 1 1 A 41 41 PHE C C 41 178.022 177.597 0.425 1
1 487 . 2 1 1 A 41 41 PHE CA C 41 62.523 62.045 0.478 1
1 488 . 2 1 1 A 41 41 PHE CB C 41 39.534 39.069 0.465 1
1 494 . 2 1 1 A 41 41 PHE N N 41 120.491 119.650 0.841 1
1 495 . 2 1 1 A 42 42 ARG H H 42 8.009 7.992 0.017 1
1 496 . 2 1 1 A 42 42 ARG HA H 42 4.021 4.367 -0.346 1
1 502 . 2 1 1 A 42 42 ARG C C 42 179.850 178.256 1.594 1
1 503 . 2 1 1 A 42 42 ARG CA C 42 59.243 58.918 0.325 1
1 504 . 2 1 1 A 42 42 ARG CB C 42 29.748 29.573 0.175 1
1 507 . 2 1 1 A 42 42 ARG N N 42 117.688 118.599 -0.911 1
1 508 . 2 1 1 A 43 43 GLN H H 43 8.286 7.409 0.877 1
1 509 . 2 1 1 A 43 43 GLN HA H 43 4.006 3.990 0.016 1
1 516 . 2 1 1 A 43 43 GLN C C 43 177.917 178.259 -0.342 1
1 517 . 2 1 1 A 43 43 GLN CA C 43 58.715 58.904 -0.189 1
1 518 . 2 1 1 A 43 43 GLN CB C 43 29.345 28.688 0.657 1
1 521 . 2 1 1 A 43 43 GLN N N 43 118.179 118.730 -0.551 1
1 523 . 2 1 1 A 44 44 GLN H H 44 8.296 8.199 0.097 1
1 524 . 2 1 1 A 44 44 GLN HA H 44 4.208 4.105 0.103 1
1 531 . 2 1 1 A 44 44 GLN C C 44 177.314 177.457 -0.143 1
1 532 . 2 1 1 A 44 44 GLN CA C 44 57.913 58.096 -0.183 1
1 533 . 2 1 1 A 44 44 GLN CB C 44 29.027 28.713 0.314 1
1 536 . 2 1 1 A 44 44 GLN N N 44 114.928 118.035 -3.107 1
1 538 . 2 1 1 A 45 45 LEU H H 45 8.463 8.000 0.463 1
1 539 . 2 1 1 A 45 45 LEU HA H 45 4.567 4.236 0.331 1
1 549 . 2 1 1 A 45 45 LEU C C 45 178.381 177.059 1.322 1
1 550 . 2 1 1 A 45 45 LEU CA C 45 54.564 55.115 -0.551 1
1 551 . 2 1 1 A 45 45 LEU CB C 45 43.031 42.316 0.715 1
1 555 . 2 1 1 A 45 45 LEU N N 45 117.028 116.867 0.161 1
1 556 . 2 1 1 A 46 46 GLY H H 46 7.852 8.899 -1.047 1
1 557 . 2 1 1 A 46 46 GLY HA2 H 46 4.005 3.876 0.129 1
1 558 . 2 1 1 A 46 46 GLY HA3 H 46 4.167 3.883 0.284 1
1 559 . 2 1 1 A 46 46 GLY C C 46 173.114 173.463 -0.349 1
1 560 . 2 1 1 A 46 46 GLY CA C 46 46.080 45.960 0.120 1
1 561 . 2 1 1 A 46 46 GLY N N 46 108.569 106.626 1.943 1
1 562 . 2 1 1 A 47 47 ILE H H 47 7.281 7.534 -0.253 1
1 563 . 2 1 1 A 47 47 ILE HA H 47 4.735 4.889 -0.154 1
1 573 . 2 1 1 A 47 47 ILE C C 47 172.231 174.780 -2.549 1
1 574 . 2 1 1 A 47 47 ILE CA C 47 59.240 58.905 0.335 1
1 575 . 2 1 1 A 47 47 ILE CB C 47 42.470 42.166 0.304 1
1 579 . 2 1 1 A 47 47 ILE N N 47 115.396 115.881 -0.485 1
1 580 . 2 1 1 A 48 48 SER H H 48 8.298 8.908 -0.610 1
1 581 . 2 1 1 A 48 48 SER HA H 48 4.725 4.769 -0.044 1
1 584 . 2 1 1 A 48 48 SER C C 48 174.600 176.126 -1.526 1
1 585 . 2 1 1 A 48 48 SER CA C 48 57.092 57.597 -0.505 1
1 586 . 2 1 1 A 48 48 SER CB C 48 65.286 64.589 0.697 1
1 587 . 2 1 1 A 48 48 SER N N 48 115.685 117.946 -2.261 1
1 588 . 2 1 1 A 49 49 VAL H H 49 8.296 8.851 -0.555 1
1 589 . 2 1 1 A 49 49 VAL HA H 49 3.081 3.988 -0.907 1
1 597 . 2 1 1 A 49 49 VAL C C 49 177.888 177.339 0.549 1
1 598 . 2 1 1 A 49 49 VAL CA C 49 65.881 65.810 0.071 1
1 599 . 2 1 1 A 49 49 VAL CB C 49 31.149 31.600 -0.451 1
1 602 . 2 1 1 A 49 49 VAL N N 49 120.175 120.328 -0.153 1
1 603 . 2 1 1 A 50 50 LEU H H 50 8.138 8.155 -0.017 1
1 604 . 2 1 1 A 50 50 LEU HA H 50 4.011 4.128 -0.117 1
1 614 . 2 1 1 A 50 50 LEU C C 50 180.412 179.811 0.601 1
1 615 . 2 1 1 A 50 50 LEU CA C 50 57.962 58.146 -0.184 1
1 616 . 2 1 1 A 50 50 LEU CB C 50 41.224 41.492 -0.268 1
1 620 . 2 1 1 A 50 50 LEU N N 50 116.998 120.861 -3.863 1
1 621 . 2 1 1 A 51 51 SER H H 51 8.087 8.042 0.045 1
1 622 . 2 1 1 A 51 51 SER HA H 51 4.279 4.282 -0.003 1
1 624 . 2 1 1 A 51 51 SER C C 51 176.081 176.892 -0.811 1
1 625 . 2 1 1 A 51 51 SER CA C 51 62.174 61.301 0.873 1
1 626 . 2 1 1 A 51 51 SER N N 51 117.207 114.189 3.018 1
1 627 . 2 1 1 A 52 52 TRP H H 52 8.913 8.419 0.494 1
1 628 . 2 1 1 A 52 52 TRP HA H 52 4.067 4.294 -0.227 1
1 637 . 2 1 1 A 52 52 TRP C C 52 178.579 177.980 0.599 1
1 638 . 2 1 1 A 52 52 TRP CA C 52 63.288 61.221 2.067 1
1 639 . 2 1 1 A 52 52 TRP CB C 52 29.159 29.844 -0.685 1
1 645 . 2 1 1 A 52 52 TRP N N 52 124.958 123.511 1.447 1
1 647 . 2 1 1 A 53 53 ARG H H 53 8.547 8.369 0.178 1
1 648 . 2 1 1 A 53 53 ARG HA H 53 3.578 3.444 0.134 1
1 654 . 2 1 1 A 53 53 ARG C C 53 177.290 178.751 -1.461 1
1 655 . 2 1 1 A 53 53 ARG CA C 53 60.443 59.494 0.949 1
1 656 . 2 1 1 A 53 53 ARG CB C 53 30.001 29.713 0.288 1
1 659 . 2 1 1 A 53 53 ARG N N 53 118.356 118.936 -0.580 1
1 660 . 2 1 1 A 54 54 GLU H H 54 8.002 7.665 0.337 1
1 661 . 2 1 1 A 54 54 GLU HA H 54 4.016 4.059 -0.043 1
1 666 . 2 1 1 A 54 54 GLU C C 54 178.460 178.080 0.380 1
1 667 . 2 1 1 A 54 54 GLU CA C 54 59.982 59.513 0.469 1
1 668 . 2 1 1 A 54 54 GLU CB C 54 29.759 29.184 0.575 1
1 670 . 2 1 1 A 54 54 GLU N N 54 118.818 119.101 -0.283 1
1 671 . 2 1 1 A 55 55 ASP H H 55 8.111 8.833 -0.722 1
1 672 . 2 1 1 A 55 55 ASP HA H 55 4.289 4.307 -0.018 1
1 675 . 2 1 1 A 55 55 ASP C C 55 179.313 178.271 1.042 1
1 676 . 2 1 1 A 55 55 ASP CA C 55 57.131 57.776 -0.645 1
1 677 . 2 1 1 A 55 55 ASP CB C 55 40.227 42.389 -2.162 1
1 678 . 2 1 1 A 55 55 ASP N N 55 119.156 120.273 -1.117 1
1 679 . 2 1 1 A 56 56 GLN H H 56 8.099 7.623 0.476 1
1 680 . 2 1 1 A 56 56 GLN HA H 56 3.781 3.923 -0.142 1
1 687 . 2 1 1 A 56 56 GLN C C 56 178.700 178.230 0.470 1
1 688 . 2 1 1 A 56 56 GLN CA C 56 57.487 58.733 -1.246 1
1 689 . 2 1 1 A 56 56 GLN CB C 56 27.430 27.830 -0.400 1
1 692 . 2 1 1 A 56 56 GLN N N 56 119.807 117.813 1.994 1
1 694 . 2 1 1 A 57 57 ARG H H 57 8.240 7.725 0.515 1
1 695 . 2 1 1 A 57 57 ARG HA H 57 3.898 3.950 -0.052 1
1 702 . 2 1 1 A 57 57 ARG C C 57 178.185 178.352 -0.167 1
1 703 . 2 1 1 A 57 57 ARG CA C 57 60.671 59.054 1.617 1
1 704 . 2 1 1 A 57 57 ARG CB C 57 31.221 29.928 1.293 1
1 707 . 2 1 1 A 57 57 ARG N N 57 120.129 119.509 0.620 1
1 708 . 2 1 1 A 58 58 ILE H H 58 7.885 8.057 -0.172 1
1 709 . 2 1 1 A 58 58 ILE HA H 58 3.978 3.630 0.348 1
1 719 . 2 1 1 A 58 58 ILE C C 58 178.357 178.311 0.046 1
1 720 . 2 1 1 A 58 58 ILE CA C 58 61.684 65.217 -3.533 1
1 721 . 2 1 1 A 58 58 ILE CB C 58 34.538 37.678 -3.140 1
1 725 . 2 1 1 A 58 58 ILE N N 58 118.096 121.028 -2.932 1
1 726 . 2 1 1 A 59 59 SER H H 59 8.563 7.929 0.634 1
1 727 . 2 1 1 A 59 59 SER HA H 59 4.010 4.142 -0.132 1
1 728 . 2 1 1 A 59 59 SER C C 59 177.731 176.794 0.937 1
1 729 . 2 1 1 A 59 59 SER CA C 59 62.459 60.979 1.480 1
1 730 . 2 1 1 A 59 59 SER N N 59 117.208 116.079 1.129 1
1 731 . 2 1 1 A 60 60 GLN H H 60 8.471 8.083 0.388 1
1 732 . 2 1 1 A 60 60 GLN HA H 60 4.228 3.963 0.265 1
1 739 . 2 1 1 A 60 60 GLN C C 60 177.958 177.524 0.434 1
1 740 . 2 1 1 A 60 60 GLN CA C 60 58.233 58.390 -0.157 1
1 741 . 2 1 1 A 60 60 GLN CB C 60 27.288 28.741 -1.453 1
1 744 . 2 1 1 A 60 60 GLN N N 60 121.780 120.623 1.157 1
1 746 . 2 1 1 A 61 61 ALA H H 61 8.504 7.998 0.506 1
1 747 . 2 1 1 A 61 61 ALA HA H 61 3.947 3.887 0.060 1
1 751 . 2 1 1 A 61 61 ALA C C 61 179.360 179.485 -0.125 1
1 752 . 2 1 1 A 61 61 ALA CA C 61 55.413 54.677 0.736 1
1 753 . 2 1 1 A 61 61 ALA CB C 61 18.124 18.229 -0.105 1
1 754 . 2 1 1 A 61 61 ALA N N 61 122.352 122.096 0.256 1
1 755 . 2 1 1 A 62 62 LYS H H 62 8.776 7.562 1.214 1
1 756 . 2 1 1 A 62 62 LYS HA H 62 3.722 4.021 -0.299 1
1 765 . 2 1 1 A 62 62 LYS C C 62 179.330 179.534 -0.204 1
1 766 . 2 1 1 A 62 62 LYS CA C 62 60.632 59.681 0.951 1
1 767 . 2 1 1 A 62 62 LYS CB C 62 32.580 32.053 0.527 1
1 771 . 2 1 1 A 62 62 LYS N N 62 117.072 117.841 -0.769 1
1 772 . 2 1 1 A 63 63 LEU H H 63 7.670 7.578 0.092 1
1 773 . 2 1 1 A 63 63 LEU HA H 63 4.233 4.012 0.221 1
1 783 . 2 1 1 A 63 63 LEU C C 63 180.902 178.309 2.593 1
1 784 . 2 1 1 A 63 63 LEU CA C 63 58.446 58.015 0.431 1
1 785 . 2 1 1 A 63 63 LEU CB C 63 41.598 41.761 -0.163 1
1 789 . 2 1 1 A 63 63 LEU N N 63 121.196 121.735 -0.539 1
1 790 . 2 1 1 A 64 64 LEU H H 64 8.585 8.154 0.431 1
1 791 . 2 1 1 A 64 64 LEU HA H 64 4.088 3.973 0.115 1
1 801 . 2 1 1 A 64 64 LEU C C 64 180.869 179.268 1.601 1
1 802 . 2 1 1 A 64 64 LEU CA C 64 57.782 58.001 -0.219 1
1 803 . 2 1 1 A 64 64 LEU CB C 64 42.760 41.047 1.713 1
1 807 . 2 1 1 A 64 64 LEU N N 64 121.842 117.209 4.633 1
1 808 . 2 1 1 A 65 65 LEU H H 65 9.100 8.289 0.811 1
1 809 . 2 1 1 A 65 65 LEU HA H 65 4.346 4.125 0.221 1
1 819 . 2 1 1 A 65 65 LEU C C 65 178.659 178.877 -0.218 1
1 820 . 2 1 1 A 65 65 LEU CA C 65 57.408 57.526 -0.118 1
1 821 . 2 1 1 A 65 65 LEU CB C 65 43.013 40.853 2.160 1
1 825 . 2 1 1 A 65 65 LEU N N 65 119.872 120.113 -0.241 1
1 826 . 2 1 1 A 66 66 SER H H 66 8.303 7.653 0.650 1
1 827 . 2 1 1 A 66 66 SER HA H 66 4.211 4.247 -0.036 1
1 829 . 2 1 1 A 66 66 SER C C 66 176.580 176.005 0.575 1
1 830 . 2 1 1 A 66 66 SER CA C 66 60.155 60.737 -0.582 1
1 831 . 2 1 1 A 66 66 SER CB C 66 65.198 63.041 2.157 1
1 832 . 2 1 1 A 66 66 SER N N 66 110.490 114.192 -3.702 1
1 833 . 2 1 1 A 67 67 THR H H 67 7.901 7.762 0.139 1
1 834 . 2 1 1 A 67 67 THR HA H 67 4.812 4.414 0.398 1
1 839 . 2 1 1 A 67 67 THR C C 67 174.240 174.164 0.076 1
1 840 . 2 1 1 A 67 67 THR CA C 67 62.400 62.331 0.069 1
1 841 . 2 1 1 A 67 67 THR CB C 67 71.512 69.760 1.752 1
1 843 . 2 1 1 A 67 67 THR N N 67 108.414 113.529 -5.115 1
1 844 . 2 1 1 A 68 68 THR H H 68 7.507 7.350 0.157 1
1 845 . 2 1 1 A 68 68 THR HA H 68 5.096 4.810 0.286 1
1 850 . 2 1 1 A 68 68 THR C C 68 174.263 174.078 0.185 1
1 851 . 2 1 1 A 68 68 THR CA C 68 60.124 59.510 0.614 1
1 852 . 2 1 1 A 68 68 THR CB C 68 72.795 72.131 0.664 1
1 854 . 2 1 1 A 68 68 THR N N 68 111.673 111.631 0.042 1
1 855 . 2 1 1 A 69 69 ARG H H 69 8.767 8.381 0.386 1
1 856 . 2 1 1 A 69 69 ARG HA H 69 4.422 4.672 -0.250 1
1 863 . 2 1 1 A 69 69 ARG C C 69 176.568 176.562 0.006 1
1 864 . 2 1 1 A 69 69 ARG CA C 69 53.692 55.175 -1.483 1
1 865 . 2 1 1 A 69 69 ARG CB C 69 28.814 30.713 -1.899 1
1 868 . 2 1 1 A 69 69 ARG N N 69 118.034 119.446 -1.412 1
1 869 . 2 1 1 A 70 70 MET H H 70 7.996 7.556 0.440 1
1 870 . 2 1 1 A 70 70 MET HA H 70 4.470 4.519 -0.049 1
1 878 . 2 1 1 A 70 70 MET CA C 70 55.386 55.259 0.127 1
1 879 . 2 1 1 A 70 70 MET CB C 70 34.080 32.422 1.658 1
1 882 . 2 1 1 A 70 70 MET N N 70 122.491 121.313 1.178 1
1 883 . 2 1 1 A 71 71 PRO HA H 71 4.574 4.530 0.044 1
1 890 . 2 1 1 A 71 71 PRO C C 71 177.204 177.157 0.047 1
1 891 . 2 1 1 A 71 71 PRO CA C 71 62.915 62.430 0.485 1
1 892 . 2 1 1 A 71 71 PRO CB C 71 32.380 32.961 -0.581 1
1 895 . 2 1 1 A 72 72 ILE H H 72 8.782 8.408 0.374 1
1 896 . 2 1 1 A 72 72 ILE HA H 72 3.407 3.797 -0.390 1
1 906 . 2 1 1 A 72 72 ILE C C 72 177.760 178.171 -0.411 1
1 907 . 2 1 1 A 72 72 ILE CA C 72 65.627 64.561 1.066 1
1 908 . 2 1 1 A 72 72 ILE CB C 72 36.771 37.690 -0.919 1
1 912 . 2 1 1 A 72 72 ILE N N 72 124.417 122.364 2.053 1
1 913 . 2 1 1 A 73 73 ALA H H 73 9.109 8.223 0.886 1
1 914 . 2 1 1 A 73 73 ALA HA H 73 3.974 4.050 -0.076 1
1 918 . 2 1 1 A 73 73 ALA C C 73 180.248 179.733 0.515 1
1 919 . 2 1 1 A 73 73 ALA CA C 73 55.232 55.283 -0.051 1
1 920 . 2 1 1 A 73 73 ALA CB C 73 18.338 18.312 0.026 1
1 921 . 2 1 1 A 73 73 ALA N N 73 119.077 123.826 -4.749 1
1 922 . 2 1 1 A 74 74 THR H H 74 7.112 7.952 -0.840 1
1 923 . 2 1 1 A 74 74 THR HA H 74 3.875 3.918 -0.043 1
1 928 . 2 1 1 A 74 74 THR C C 74 175.761 176.391 -0.630 1
1 929 . 2 1 1 A 74 74 THR CA C 74 65.841 66.481 -0.640 1
1 930 . 2 1 1 A 74 74 THR CB C 74 68.248 68.007 0.241 1
1 932 . 2 1 1 A 74 74 THR N N 74 114.866 114.767 0.099 1
1 933 . 2 1 1 A 75 75 VAL H H 75 8.087 8.086 0.001 1
1 934 . 2 1 1 A 75 75 VAL HA H 75 3.305 3.471 -0.166 1
1 942 . 2 1 1 A 75 75 VAL C C 75 177.048 177.406 -0.358 1
1 943 . 2 1 1 A 75 75 VAL CA C 75 67.681 66.406 1.275 1
1 944 . 2 1 1 A 75 75 VAL CB C 75 30.831 31.163 -0.332 1
1 947 . 2 1 1 A 75 75 VAL N N 75 123.901 121.383 2.518 1
1 948 . 2 1 1 A 76 76 GLY H H 76 7.673 7.955 -0.282 1
1 949 . 2 1 1 A 76 76 GLY HA2 H 76 2.235 3.230 -0.995 1
1 950 . 2 1 1 A 76 76 GLY HA3 H 76 3.003 3.616 -0.613 1
1 951 . 2 1 1 A 76 76 GLY C C 76 176.562 175.711 0.851 1
1 952 . 2 1 1 A 76 76 GLY CA C 76 46.293 46.907 -0.614 1
1 953 . 2 1 1 A 76 76 GLY N N 76 102.438 107.284 -4.846 1
1 954 . 2 1 1 A 77 77 ARG H H 77 7.760 7.516 0.244 1
1 955 . 2 1 1 A 77 77 ARG HA H 77 3.982 4.025 -0.043 1
1 962 . 2 1 1 A 77 77 ARG C C 77 180.332 178.803 1.529 1
1 963 . 2 1 1 A 77 77 ARG CA C 77 59.550 59.291 0.259 1
1 964 . 2 1 1 A 77 77 ARG CB C 77 30.085 29.976 0.109 1
1 967 . 2 1 1 A 77 77 ARG N N 77 122.228 121.621 0.607 1
1 968 . 2 1 1 A 78 78 ASN H H 78 8.230 7.783 0.447 1
1 969 . 2 1 1 A 78 78 ASN HA H 78 4.397 4.459 -0.062 1
1 974 . 2 1 1 A 78 78 ASN C C 78 176.105 176.924 -0.819 1
1 975 . 2 1 1 A 78 78 ASN CA C 78 55.615 55.890 -0.275 1
1 976 . 2 1 1 A 78 78 ASN CB C 78 38.806 38.733 0.073 1
1 978 . 2 1 1 A 78 78 ASN N N 78 119.139 117.079 2.060 1
1 980 . 2 1 1 A 79 79 VAL H H 79 7.323 7.161 0.162 1
1 981 . 2 1 1 A 79 79 VAL HA H 79 4.438 4.372 0.066 1
1 989 . 2 1 1 A 79 79 VAL C C 79 174.220 175.813 -1.593 1
1 990 . 2 1 1 A 79 79 VAL CA C 79 59.911 60.565 -0.654 1
1 991 . 2 1 1 A 79 79 VAL CB C 79 31.400 30.934 0.466 1
1 994 . 2 1 1 A 79 79 VAL N N 79 108.664 110.973 -2.309 1
1 995 . 2 1 1 A 80 80 GLY H H 80 7.286 7.915 -0.629 1
1 996 . 2 1 1 A 80 80 GLY HA2 H 80 3.540 3.981 -0.441 1
1 997 . 2 1 1 A 80 80 GLY HA3 H 80 4.023 4.020 0.003 1
1 998 . 2 1 1 A 80 80 GLY C C 80 174.383 174.599 -0.216 1
1 999 . 2 1 1 A 80 80 GLY CA C 80 45.739 45.854 -0.115 1
1 1000 . 2 1 1 A 80 80 GLY N N 80 104.635 110.045 -5.410 1
1 1001 . 2 1 1 A 81 81 PHE H H 81 8.535 8.169 0.366 1
1 1002 . 2 1 1 A 81 81 PHE HA H 81 4.845 4.501 0.344 1
1 1010 . 2 1 1 A 81 81 PHE C C 81 174.570 175.790 -1.220 1
1 1011 . 2 1 1 A 81 81 PHE CA C 81 56.375 58.842 -2.467 1
1 1012 . 2 1 1 A 81 81 PHE CB C 81 39.941 38.839 1.102 1
1 1018 . 2 1 1 A 81 81 PHE N N 81 119.772 119.465 0.307 1
1 1019 . 2 1 1 A 82 82 ASP H H 82 8.564 9.155 -0.591 1
1 1020 . 2 1 1 A 82 82 ASP HA H 82 4.491 4.601 -0.110 1
1 1023 . 2 1 1 A 82 82 ASP C C 82 175.170 175.485 -0.315 1
1 1024 . 2 1 1 A 82 82 ASP CA C 82 55.195 56.403 -1.208 1
1 1025 . 2 1 1 A 82 82 ASP CB C 82 41.010 41.819 -0.809 1
1 1026 . 2 1 1 A 82 82 ASP N N 82 123.028 126.056 -3.028 1
1 1027 . 2 1 1 A 83 83 ASP H H 83 7.789 7.920 -0.131 1
1 1028 . 2 1 1 A 83 83 ASP HA H 83 4.947 4.958 -0.011 1
1 1031 . 2 1 1 A 83 83 ASP C C 83 176.347 176.361 -0.014 1
1 1032 . 2 1 1 A 83 83 ASP CA C 83 52.690 53.935 -1.245 1
1 1033 . 2 1 1 A 83 83 ASP CB C 83 43.152 41.890 1.262 1
1 1034 . 2 1 1 A 83 83 ASP N N 83 118.576 118.487 0.089 1
1 1035 . 2 1 1 A 84 84 GLN H H 84 9.104 8.915 0.189 1
1 1036 . 2 1 1 A 84 84 GLN HA H 84 4.333 4.026 0.307 1
1 1043 . 2 1 1 A 84 84 GLN C C 84 177.986 177.660 0.326 1
1 1044 . 2 1 1 A 84 84 GLN CA C 84 58.909 58.944 -0.035 1
1 1045 . 2 1 1 A 84 84 GLN CB C 84 28.267 28.507 -0.240 1
1 1048 . 2 1 1 A 84 84 GLN N N 84 126.543 125.747 0.796 1
1 1050 . 2 1 1 A 85 85 LEU H H 85 8.419 8.188 0.231 1
1 1051 . 2 1 1 A 85 85 LEU HA H 85 4.210 4.206 0.004 1
1 1061 . 2 1 1 A 85 85 LEU C C 85 179.472 179.014 0.458 1
1 1062 . 2 1 1 A 85 85 LEU CA C 85 57.958 57.648 0.310 1
1 1063 . 2 1 1 A 85 85 LEU CB C 85 40.678 41.919 -1.241 1
1 1067 . 2 1 1 A 85 85 LEU N N 85 123.486 119.681 3.805 1
1 1068 . 2 1 1 A 86 86 TYR H H 86 8.042 8.542 -0.500 1
1 1069 . 2 1 1 A 86 86 TYR HA H 86 4.288 4.162 0.126 1
1 1076 . 2 1 1 A 86 86 TYR C C 86 177.195 177.466 -0.271 1
1 1077 . 2 1 1 A 86 86 TYR CA C 86 60.367 61.847 -1.480 1
1 1078 . 2 1 1 A 86 86 TYR CB C 86 38.184 38.467 -0.283 1
1 1083 . 2 1 1 A 86 86 TYR N N 86 122.679 120.261 2.418 1
1 1084 . 2 1 1 A 87 87 PHE H H 87 8.219 8.191 0.028 1
1 1085 . 2 1 1 A 87 87 PHE HA H 87 3.261 3.937 -0.676 1
1 1093 . 2 1 1 A 87 87 PHE C C 87 175.875 177.209 -1.334 1
1 1094 . 2 1 1 A 87 87 PHE CA C 87 58.536 61.909 -3.373 1
1 1095 . 2 1 1 A 87 87 PHE CB C 87 38.124 39.236 -1.112 1
1 1101 . 2 1 1 A 87 87 PHE N N 87 116.536 119.249 -2.713 1
1 1102 . 2 1 1 A 88 88 SER H H 88 8.082 7.939 0.143 1
1 1103 . 2 1 1 A 88 88 SER HA H 88 3.951 4.116 -0.165 1
1 1105 . 2 1 1 A 88 88 SER C C 88 175.926 176.468 -0.542 1
1 1106 . 2 1 1 A 88 88 SER CA C 88 62.398 61.611 0.787 1
1 1107 . 2 1 1 A 88 88 SER N N 88 112.937 115.627 -2.690 1
1 1108 . 2 1 1 A 89 89 ARG H H 89 7.843 8.225 -0.382 1
1 1109 . 2 1 1 A 89 89 ARG HA H 89 3.975 4.116 -0.141 1
1 1116 . 2 1 1 A 89 89 ARG C C 89 179.414 179.181 0.233 1
1 1117 . 2 1 1 A 89 89 ARG CA C 89 59.452 59.249 0.203 1
1 1118 . 2 1 1 A 89 89 ARG CB C 89 30.242 30.089 0.153 1
1 1121 . 2 1 1 A 89 89 ARG N N 89 121.621 121.649 -0.028 1
1 1122 . 2 1 1 A 90 90 VAL H H 90 8.235 8.126 0.109 1
1 1123 . 2 1 1 A 90 90 VAL HA H 90 3.530 3.755 -0.225 1
1 1131 . 2 1 1 A 90 90 VAL C C 90 177.752 177.730 0.022 1
1 1132 . 2 1 1 A 90 90 VAL CA C 90 66.208 65.014 1.194 1
1 1133 . 2 1 1 A 90 90 VAL CB C 90 31.649 31.440 0.209 1
1 1136 . 2 1 1 A 90 90 VAL N N 90 122.095 119.206 2.889 1
1 1137 . 2 1 1 A 91 91 PHE H H 91 8.763 8.549 0.214 1
1 1138 . 2 1 1 A 91 91 PHE HA H 91 3.584 3.800 -0.216 1
1 1141 . 2 1 1 A 91 91 PHE C C 91 178.386 177.212 1.174 1
1 1142 . 2 1 1 A 91 91 PHE CA C 91 62.523 60.682 1.841 1
1 1143 . 2 1 1 A 91 91 PHE CB C 91 39.528 38.397 1.131 1
1 1144 . 2 1 1 A 91 91 PHE N N 91 121.769 122.059 -0.290 1
1 1145 . 2 1 1 A 92 92 LYS H H 92 8.237 8.390 -0.153 1
1 1146 . 2 1 1 A 92 92 LYS HA H 92 4.217 4.052 0.165 1
1 1153 . 2 1 1 A 92 92 LYS C C 92 179.621 179.298 0.323 1
1 1154 . 2 1 1 A 92 92 LYS CA C 92 58.597 59.934 -1.337 1
1 1155 . 2 1 1 A 92 92 LYS CB C 92 32.290 32.560 -0.270 1
1 1159 . 2 1 1 A 92 92 LYS N N 92 121.441 118.210 3.231 1
1 1160 . 2 1 1 A 93 93 LYS H H 93 8.013 7.584 0.429 1
1 1161 . 2 1 1 A 93 93 LYS HA H 93 3.956 4.059 -0.103 1
1 1169 . 2 1 1 A 93 93 LYS C C 93 178.611 179.297 -0.686 1
1 1170 . 2 1 1 A 93 93 LYS CA C 93 59.356 58.983 0.373 1
1 1171 . 2 1 1 A 93 93 LYS CB C 93 31.785 31.745 0.040 1
1 1175 . 2 1 1 A 93 93 LYS N N 93 122.286 118.221 4.065 1
1 1176 . 2 1 1 A 94 94 CYS H H 94 7.818 7.831 -0.013 1
1 1177 . 2 1 1 A 94 94 CYS HA H 94 4.224 4.108 0.116 1
1 1180 . 2 1 1 A 94 94 CYS C C 94 176.440 176.290 0.150 1
1 1181 . 2 1 1 A 94 94 CYS CA C 94 62.517 62.708 -0.191 1
1 1182 . 2 1 1 A 94 94 CYS CB C 94 28.104 27.148 0.956 1
1 1183 . 2 1 1 A 94 94 CYS N N 94 113.581 118.565 -4.984 1
1 1184 . 2 1 1 A 95 95 THR H H 95 8.038 7.249 0.789 1
1 1185 . 2 1 1 A 95 95 THR HA H 95 4.397 4.383 0.014 1
1 1190 . 2 1 1 A 95 95 THR C C 95 176.237 175.783 0.454 1
1 1191 . 2 1 1 A 95 95 THR CA C 95 62.507 61.707 0.800 1
1 1192 . 2 1 1 A 95 95 THR CB C 95 71.481 70.374 1.107 1
1 1194 . 2 1 1 A 95 95 THR N N 95 106.903 108.439 -1.536 1
1 1195 . 2 1 1 A 96 96 GLY H H 96 8.526 8.879 -0.353 1
1 1196 . 2 1 1 A 96 96 GLY HA2 H 96 3.724 3.825 -0.101 1
1 1197 . 2 1 1 A 96 96 GLY HA3 H 96 4.374 3.834 0.540 1
1 1198 . 2 1 1 A 96 96 GLY C C 96 172.550 173.272 -0.722 1
1 1199 . 2 1 1 A 96 96 GLY CA C 96 45.264 45.258 0.006 1
1 1200 . 2 1 1 A 96 96 GLY N N 96 112.762 111.438 1.324 1
1 1201 . 2 1 1 A 97 97 ALA H H 97 8.560 6.884 1.676 1
1 1202 . 2 1 1 A 97 97 ALA HA H 97 4.841 4.748 0.093 1
1 1206 . 2 1 1 A 97 97 ALA C C 97 175.280 176.060 -0.780 1
1 1207 . 2 1 1 A 97 97 ALA CA C 97 50.176 51.019 -0.843 1
1 1208 . 2 1 1 A 97 97 ALA CB C 97 22.551 22.698 -0.147 1
1 1209 . 2 1 1 A 97 97 ALA N N 97 125.656 120.807 4.849 1
1 1210 . 2 1 1 A 98 98 SER H H 98 8.817 8.576 0.241 1
1 1211 . 2 1 1 A 98 98 SER HA H 98 4.656 4.606 0.050 1
1 1212 . 2 1 1 A 98 98 SER CA C 98 56.612 56.748 -0.136 1
1 1213 . 2 1 1 A 98 98 SER N N 98 114.919 114.810 0.109 1
1 1214 . 2 1 1 A 99 99 PRO HA H 99 3.500 4.771 -1.271 1
1 1220 . 2 1 1 A 99 99 PRO C C 99 177.585 178.060 -0.475 1
1 1221 . 2 1 1 A 99 99 PRO CA C 99 66.202 64.819 1.383 1
1 1222 . 2 1 1 A 99 99 PRO CB C 99 32.030 32.294 -0.264 1
1 1225 . 2 1 1 A 100 100 SER H H 100 8.254 8.284 -0.030 1
1 1226 . 2 1 1 A 100 100 SER HA H 100 4.029 4.334 -0.305 1
1 1227 . 2 1 1 A 100 100 SER C C 100 177.441 177.035 0.406 1
1 1228 . 2 1 1 A 100 100 SER CA C 100 61.891 61.036 0.855 1
1 1229 . 2 1 1 A 100 100 SER N N 100 111.230 112.281 -1.051 1
1 1230 . 2 1 1 A 101 101 GLU H H 101 7.848 7.911 -0.063 1
1 1231 . 2 1 1 A 101 101 GLU HA H 101 4.021 4.073 -0.052 1
1 1236 . 2 1 1 A 101 101 GLU C C 101 179.288 178.701 0.587 1
1 1237 . 2 1 1 A 101 101 GLU CA C 101 58.822 59.368 -0.546 1
1 1238 . 2 1 1 A 101 101 GLU CB C 101 29.846 29.675 0.171 1
1 1240 . 2 1 1 A 101 101 GLU N N 101 125.150 121.630 3.520 1
1 1241 . 2 1 1 A 102 102 PHE H H 102 8.923 8.102 0.821 1
1 1242 . 2 1 1 A 102 102 PHE HA H 102 4.155 4.100 0.055 1
1 1245 . 2 1 1 A 102 102 PHE C C 102 178.343 177.724 0.619 1
1 1246 . 2 1 1 A 102 102 PHE CA C 102 61.315 61.709 -0.394 1
1 1247 . 2 1 1 A 102 102 PHE CB C 102 40.083 39.275 0.808 1
1 1248 . 2 1 1 A 102 102 PHE N N 102 121.281 120.692 0.589 1
1 1249 . 2 1 1 A 103 103 ARG H H 103 8.210 8.295 -0.085 1
1 1250 . 2 1 1 A 103 103 ARG HA H 103 3.830 4.012 -0.182 1
1 1257 . 2 1 1 A 103 103 ARG C C 103 177.602 178.988 -1.386 1
1 1258 . 2 1 1 A 103 103 ARG CA C 103 59.235 59.774 -0.539 1
1 1261 . 2 1 1 A 103 103 ARG N N 103 119.223 118.601 0.622 1
1 1262 . 2 1 1 A 104 104 ALA H H 104 7.905 7.164 0.741 1
1 1263 . 2 1 1 A 104 104 ALA HA H 104 4.186 4.221 -0.035 1
1 1267 . 2 1 1 A 104 104 ALA C C 104 179.126 178.047 1.079 1
1 1268 . 2 1 1 A 104 104 ALA CA C 104 54.188 52.911 1.277 1
1 1269 . 2 1 1 A 104 104 ALA CB C 104 18.254 19.562 -1.308 1
1 1270 . 2 1 1 A 104 104 ALA N N 104 120.546 119.092 1.454 1
1 1271 . 2 1 1 A 105 105 GLY H H 105 7.676 7.658 0.018 1
1 1272 . 2 1 1 A 105 105 GLY HA2 H 105 3.849 3.742 0.107 1
1 1273 . 2 1 1 A 105 105 GLY HA3 H 105 4.052 3.843 0.209 1
1 1274 . 2 1 1 A 105 105 GLY C C 105 174.515 174.603 -0.088 1
1 1275 . 2 1 1 A 105 105 GLY CA C 105 45.317 45.081 0.236 1
1 1276 . 2 1 1 A 105 105 GLY N N 105 104.677 107.003 -2.326 1
1 1277 . 2 1 1 A 106 106 CYS H H 106 7.599 7.981 -0.382 1
1 1278 . 2 1 1 A 106 106 CYS HA H 106 4.447 4.422 0.025 1
1 1281 . 2 1 1 A 106 106 CYS C C 106 173.823 174.484 -0.661 1
1 1282 . 2 1 1 A 106 106 CYS CA C 106 59.123 59.482 -0.359 1
1 1283 . 2 1 1 A 106 106 CYS CB C 106 28.004 28.341 -0.337 1
1 1284 . 2 1 1 A 106 106 CYS N N 106 118.321 119.780 -1.459 1
1 14 . 3 1 1 A 2 2 ASP H H 2 8.989 8.412 0.577 1
1 15 . 3 1 1 A 2 2 ASP HA H 2 4.662 4.944 -0.282 1
1 18 . 3 1 1 A 2 2 ASP C C 2 177.024 176.882 0.142 1
1 19 . 3 1 1 A 2 2 ASP CA C 2 54.092 53.641 0.451 1
1 20 . 3 1 1 A 2 2 ASP CB C 2 42.743 43.000 -0.257 1
1 21 . 3 1 1 A 2 2 ASP N N 2 126.287 124.254 2.033 1
1 22 . 3 1 1 A 3 3 ASN H H 3 9.165 9.124 0.041 1
1 23 . 3 1 1 A 3 3 ASN HA H 3 4.446 4.320 0.126 1
1 28 . 3 1 1 A 3 3 ASN C C 3 177.306 176.919 0.387 1
1 29 . 3 1 1 A 3 3 ASN CA C 3 56.355 56.495 -0.140 1
1 30 . 3 1 1 A 3 3 ASN CB C 3 38.382 38.089 0.293 1
1 32 . 3 1 1 A 3 3 ASN N N 3 124.055 123.872 0.183 1
1 34 . 3 1 1 A 4 4 ARG H H 4 9.092 7.895 1.197 1
1 35 . 3 1 1 A 4 4 ARG HA H 4 4.183 4.016 0.167 1
1 42 . 3 1 1 A 4 4 ARG C C 4 178.824 178.987 -0.163 1
1 43 . 3 1 1 A 4 4 ARG CA C 4 59.401 59.568 -0.167 1
1 44 . 3 1 1 A 4 4 ARG CB C 4 29.437 30.486 -1.049 1
1 47 . 3 1 1 A 4 4 ARG N N 4 119.970 119.117 0.853 1
1 48 . 3 1 1 A 5 5 VAL H H 5 7.588 7.729 -0.141 1
1 49 . 3 1 1 A 5 5 VAL HA H 5 3.458 3.796 -0.338 1
1 57 . 3 1 1 A 5 5 VAL C C 5 177.573 177.690 -0.117 1
1 58 . 3 1 1 A 5 5 VAL CA C 5 66.543 65.708 0.835 1
1 59 . 3 1 1 A 5 5 VAL CB C 5 31.294 31.089 0.205 1
1 62 . 3 1 1 A 5 5 VAL N N 5 119.312 116.484 2.828 1
1 63 . 3 1 1 A 6 6 ARG H H 6 7.920 8.227 -0.307 1
1 64 . 3 1 1 A 6 6 ARG HA H 6 3.860 3.809 0.051 1
1 71 . 3 1 1 A 6 6 ARG C C 6 179.380 178.608 0.772 1
1 72 . 3 1 1 A 6 6 ARG CA C 6 60.197 59.508 0.689 1
1 73 . 3 1 1 A 6 6 ARG CB C 6 29.818 29.616 0.202 1
1 76 . 3 1 1 A 6 6 ARG N N 6 120.863 121.764 -0.901 1
1 77 . 3 1 1 A 7 7 GLU H H 7 8.262 8.004 0.258 1
1 78 . 3 1 1 A 7 7 GLU HA H 7 4.241 4.171 0.070 1
1 83 . 3 1 1 A 7 7 GLU C C 7 179.131 178.702 0.429 1
1 84 . 3 1 1 A 7 7 GLU CA C 7 58.770 59.538 -0.768 1
1 85 . 3 1 1 A 7 7 GLU CB C 7 28.883 29.300 -0.417 1
1 87 . 3 1 1 A 7 7 GLU N N 7 119.166 119.487 -0.321 1
1 88 . 3 1 1 A 8 8 ALA H H 8 8.421 7.905 0.516 1
1 89 . 3 1 1 A 8 8 ALA HA H 8 4.046 4.418 -0.372 1
1 93 . 3 1 1 A 8 8 ALA C C 8 179.202 180.523 -1.321 1
1 94 . 3 1 1 A 8 8 ALA CA C 8 55.610 55.274 0.336 1
1 95 . 3 1 1 A 8 8 ALA CB C 8 18.512 18.584 -0.072 1
1 96 . 3 1 1 A 8 8 ALA N N 8 123.947 121.269 2.678 1
1 97 . 3 1 1 A 9 9 CYS H H 9 8.490 7.906 0.584 1
1 98 . 3 1 1 A 9 9 CYS HA H 9 3.767 4.339 -0.572 1
1 101 . 3 1 1 A 9 9 CYS C C 9 176.858 177.492 -0.634 1
1 102 . 3 1 1 A 9 9 CYS CA C 9 64.480 63.232 1.248 1
1 103 . 3 1 1 A 9 9 CYS CB C 9 26.690 27.340 -0.650 1
1 104 . 3 1 1 A 9 9 CYS N N 9 116.232 116.515 -0.283 1
1 105 . 3 1 1 A 10 10 GLN H H 10 8.088 8.245 -0.157 1
1 106 . 3 1 1 A 10 10 GLN HA H 10 4.022 4.227 -0.205 1
1 113 . 3 1 1 A 10 10 GLN C C 10 177.140 178.013 -0.873 1
1 114 . 3 1 1 A 10 10 GLN CA C 10 58.804 58.759 0.045 1
1 115 . 3 1 1 A 10 10 GLN CB C 10 28.299 28.796 -0.497 1
1 118 . 3 1 1 A 10 10 GLN N N 10 120.817 121.516 -0.699 1
1 120 . 3 1 1 A 11 11 TYR H H 11 8.367 7.756 0.611 1
1 121 . 3 1 1 A 11 11 TYR HA H 11 4.308 4.162 0.146 1
1 128 . 3 1 1 A 11 11 TYR C C 11 178.986 177.186 1.800 1
1 129 . 3 1 1 A 11 11 TYR CA C 11 61.850 61.496 0.354 1
1 130 . 3 1 1 A 11 11 TYR CB C 11 38.653 38.510 0.143 1
1 135 . 3 1 1 A 11 11 TYR N N 11 120.419 120.794 -0.375 1
1 136 . 3 1 1 A 12 12 ILE H H 12 8.886 8.404 0.482 1
1 137 . 3 1 1 A 12 12 ILE HA H 12 3.700 3.341 0.359 1
1 147 . 3 1 1 A 12 12 ILE C C 12 179.352 177.951 1.401 1
1 148 . 3 1 1 A 12 12 ILE CA C 12 65.621 65.202 0.419 1
1 149 . 3 1 1 A 12 12 ILE CB C 12 38.203 38.277 -0.074 1
1 153 . 3 1 1 A 12 12 ILE N N 12 119.720 121.661 -1.941 1
1 154 . 3 1 1 A 13 13 SER H H 13 8.740 8.484 0.256 1
1 155 . 3 1 1 A 13 13 SER HA H 13 4.753 3.993 0.760 1
1 158 . 3 1 1 A 13 13 SER C C 13 176.355 176.520 -0.165 1
1 159 . 3 1 1 A 13 13 SER CA C 13 62.551 62.245 0.306 1
1 160 . 3 1 1 A 13 13 SER CB C 13 62.468 62.881 -0.413 1
1 161 . 3 1 1 A 13 13 SER N N 13 116.217 115.935 0.282 1
1 162 . 3 1 1 A 14 14 ASP H H 14 8.426 7.986 0.440 1
1 163 . 3 1 1 A 14 14 ASP HA H 14 4.438 4.429 0.009 1
1 166 . 3 1 1 A 14 14 ASP C C 14 176.838 177.850 -1.012 1
1 167 . 3 1 1 A 14 14 ASP CA C 14 55.988 57.286 -1.298 1
1 168 . 3 1 1 A 14 14 ASP CB C 14 40.500 40.417 0.083 1
1 169 . 3 1 1 A 14 14 ASP N N 14 121.201 122.345 -1.144 1
1 170 . 3 1 1 A 15 15 HIS H H 15 7.530 7.431 0.099 1
1 171 . 3 1 1 A 15 15 HIS HA H 15 4.661 4.612 0.049 1
1 176 . 3 1 1 A 15 15 HIS C C 15 175.451 175.530 -0.079 1
1 177 . 3 1 1 A 15 15 HIS CA C 15 55.320 55.581 -0.261 1
1 178 . 3 1 1 A 15 15 HIS CB C 15 28.275 29.082 -0.807 1
1 181 . 3 1 1 A 15 15 HIS N N 15 116.777 114.995 1.782 1
1 182 . 3 1 1 A 16 16 LEU H H 16 7.271 7.436 -0.165 1
1 183 . 3 1 1 A 16 16 LEU HA H 16 3.812 3.803 0.009 1
1 193 . 3 1 1 A 16 16 LEU C C 16 176.627 178.326 -1.699 1
1 194 . 3 1 1 A 16 16 LEU CA C 16 58.076 57.622 0.454 1
1 195 . 3 1 1 A 16 16 LEU CB C 16 42.531 41.279 1.252 1
1 199 . 3 1 1 A 16 16 LEU N N 16 122.531 122.449 0.082 1
1 200 . 3 1 1 A 17 17 ALA H H 17 8.243 7.207 1.036 1
1 201 . 3 1 1 A 17 17 ALA HA H 17 3.937 4.310 -0.373 1
1 205 . 3 1 1 A 17 17 ALA C C 17 177.131 177.016 0.115 1
1 206 . 3 1 1 A 17 17 ALA CA C 17 51.802 51.939 -0.137 1
1 207 . 3 1 1 A 17 17 ALA CB C 17 18.473 20.010 -1.537 1
1 208 . 3 1 1 A 17 17 ALA N N 17 116.354 119.469 -3.115 1
1 209 . 3 1 1 A 18 18 ASP H H 18 7.488 7.539 -0.051 1
1 210 . 3 1 1 A 18 18 ASP HA H 18 4.455 4.517 -0.062 1
1 213 . 3 1 1 A 18 18 ASP C C 18 177.370 176.120 1.250 1
1 214 . 3 1 1 A 18 18 ASP CA C 18 54.571 54.605 -0.034 1
1 215 . 3 1 1 A 18 18 ASP CB C 18 40.521 41.046 -0.525 1
1 216 . 3 1 1 A 18 18 ASP N N 18 119.230 118.999 0.231 1
1 217 . 3 1 1 A 19 19 SER H H 19 8.793 8.976 -0.183 1
1 218 . 3 1 1 A 19 19 SER HA H 19 4.424 4.436 -0.012 1
1 221 . 3 1 1 A 19 19 SER C C 19 174.779 174.667 0.112 1
1 222 . 3 1 1 A 19 19 SER CA C 19 59.706 61.289 -1.583 1
1 223 . 3 1 1 A 19 19 SER CB C 19 63.351 63.412 -0.061 1
1 224 . 3 1 1 A 19 19 SER N N 19 119.892 118.606 1.286 1
1 225 . 3 1 1 A 20 20 ASN H H 20 8.520 8.053 0.467 1
1 226 . 3 1 1 A 20 20 ASN HA H 20 4.869 4.923 -0.054 1
1 231 . 3 1 1 A 20 20 ASN C C 20 173.838 174.641 -0.803 1
1 232 . 3 1 1 A 20 20 ASN CA C 20 52.586 53.679 -1.093 1
1 233 . 3 1 1 A 20 20 ASN CB C 20 38.799 38.539 0.260 1
1 235 . 3 1 1 A 20 20 ASN N N 20 119.769 118.196 1.573 1
1 237 . 3 1 1 A 21 21 PHE H H 21 8.082 9.007 -0.925 1
1 238 . 3 1 1 A 21 21 PHE HA H 21 4.397 5.370 -0.973 1
1 246 . 3 1 1 A 21 21 PHE C C 21 173.520 173.216 0.304 1
1 247 . 3 1 1 A 21 21 PHE CA C 21 58.672 56.210 2.462 1
1 248 . 3 1 1 A 21 21 PHE CB C 21 40.704 42.335 -1.631 1
1 254 . 3 1 1 A 21 21 PHE N N 21 121.875 125.918 -4.043 1
1 255 . 3 1 1 A 22 22 ASP H H 22 7.570 8.610 -1.040 1
1 256 . 3 1 1 A 22 22 ASP HA H 22 4.563 4.828 -0.265 1
1 259 . 3 1 1 A 22 22 ASP C C 22 175.674 175.958 -0.284 1
1 260 . 3 1 1 A 22 22 ASP CA C 22 52.049 52.334 -0.285 1
1 261 . 3 1 1 A 22 22 ASP CB C 22 43.023 42.125 0.898 1
1 262 . 3 1 1 A 22 22 ASP N N 22 126.780 128.076 -1.296 1
1 263 . 3 1 1 A 23 23 ILE H H 23 8.720 8.442 0.278 1
1 264 . 3 1 1 A 23 23 ILE HA H 23 3.555 3.585 -0.030 1
1 274 . 3 1 1 A 23 23 ILE C C 23 176.441 177.307 -0.866 1
1 275 . 3 1 1 A 23 23 ILE CA C 23 63.650 63.465 0.185 1
1 276 . 3 1 1 A 23 23 ILE CB C 23 37.741 37.872 -0.131 1
1 280 . 3 1 1 A 23 23 ILE N N 23 124.815 126.996 -2.181 1
1 281 . 3 1 1 A 24 24 ALA H H 24 8.543 8.166 0.377 1
1 282 . 3 1 1 A 24 24 ALA HA H 24 3.917 4.049 -0.132 1
1 286 . 3 1 1 A 24 24 ALA C C 24 180.227 179.593 0.634 1
1 287 . 3 1 1 A 24 24 ALA CA C 24 55.413 55.325 0.088 1
1 288 . 3 1 1 A 24 24 ALA CB C 24 17.760 17.726 0.034 1
1 289 . 3 1 1 A 24 24 ALA N N 24 123.943 124.186 -0.243 1
1 290 . 3 1 1 A 25 25 SER H H 25 7.844 7.927 -0.083 1
1 291 . 3 1 1 A 25 25 SER HA H 25 4.246 4.048 0.198 1
1 293 . 3 1 1 A 25 25 SER C C 25 176.667 176.390 0.277 1
1 294 . 3 1 1 A 25 25 SER CA C 25 61.238 61.567 -0.329 1
1 295 . 3 1 1 A 25 25 SER CB C 25 62.402 62.980 -0.578 1
1 296 . 3 1 1 A 25 25 SER N N 25 114.143 113.426 0.717 1
1 297 . 3 1 1 A 26 26 VAL H H 26 7.086 7.978 -0.892 1
1 298 . 3 1 1 A 26 26 VAL HA H 26 3.198 3.756 -0.558 1
1 306 . 3 1 1 A 26 26 VAL C C 26 176.670 178.153 -1.483 1
1 307 . 3 1 1 A 26 26 VAL CA C 26 64.809 66.826 -2.017 1
1 308 . 3 1 1 A 26 26 VAL CB C 26 31.274 31.555 -0.281 1
1 311 . 3 1 1 A 26 26 VAL N N 26 122.369 122.309 0.060 1
1 312 . 3 1 1 A 27 27 ALA H H 27 8.043 7.829 0.214 1
1 313 . 3 1 1 A 27 27 ALA HA H 27 3.775 3.985 -0.210 1
1 317 . 3 1 1 A 27 27 ALA C C 27 178.948 179.411 -0.463 1
1 318 . 3 1 1 A 27 27 ALA CA C 27 55.507 55.561 -0.054 1
1 319 . 3 1 1 A 27 27 ALA CB C 27 17.412 17.718 -0.306 1
1 320 . 3 1 1 A 27 27 ALA N N 27 122.045 121.894 0.151 1
1 321 . 3 1 1 A 28 28 GLN H H 28 8.089 8.144 -0.055 1
1 322 . 3 1 1 A 28 28 GLN HA H 28 4.053 4.045 0.008 1
1 329 . 3 1 1 A 28 28 GLN C C 28 179.289 178.429 0.860 1
1 330 . 3 1 1 A 28 28 GLN CA C 28 58.625 58.742 -0.117 1
1 331 . 3 1 1 A 28 28 GLN CB C 28 28.155 28.228 -0.073 1
1 334 . 3 1 1 A 28 28 GLN N N 28 116.168 118.491 -2.323 1
1 336 . 3 1 1 A 29 29 HIS H H 29 7.454 8.054 -0.600 1
1 337 . 3 1 1 A 29 29 HIS HA H 29 4.209 4.059 0.150 1
1 342 . 3 1 1 A 29 29 HIS C C 29 175.895 176.916 -1.021 1
1 343 . 3 1 1 A 29 29 HIS CA C 29 59.132 59.288 -0.156 1
1 344 . 3 1 1 A 29 29 HIS CB C 29 28.947 29.646 -0.699 1
1 347 . 3 1 1 A 29 29 HIS N N 29 118.117 120.008 -1.891 1
1 348 . 3 1 1 A 30 30 VAL H H 30 7.309 7.339 -0.030 1
1 349 . 3 1 1 A 30 30 VAL HA H 30 4.441 4.067 0.374 1
1 357 . 3 1 1 A 30 30 VAL C C 30 173.598 174.425 -0.827 1
1 358 . 3 1 1 A 30 30 VAL CA C 30 59.948 60.617 -0.669 1
1 359 . 3 1 1 A 30 30 VAL CB C 30 31.067 31.052 0.015 1
1 362 . 3 1 1 A 30 30 VAL N N 30 106.791 109.754 -2.963 1
1 363 . 3 1 1 A 31 31 CYS H H 31 7.837 7.996 -0.159 1
1 364 . 3 1 1 A 31 31 CYS HA H 31 3.929 4.111 -0.182 1
1 367 . 3 1 1 A 31 31 CYS C C 31 173.679 173.531 0.148 1
1 368 . 3 1 1 A 31 31 CYS CA C 31 59.814 60.420 -0.606 1
1 369 . 3 1 1 A 31 31 CYS CB C 31 24.898 25.940 -1.042 1
1 370 . 3 1 1 A 31 31 CYS N N 31 116.363 117.189 -0.826 1
1 371 . 3 1 1 A 32 32 LEU H H 32 8.061 7.630 0.431 1
1 372 . 3 1 1 A 32 32 LEU HA H 32 4.871 4.802 0.069 1
1 382 . 3 1 1 A 32 32 LEU C C 32 176.243 175.903 0.340 1
1 383 . 3 1 1 A 32 32 LEU CA C 32 52.555 53.303 -0.748 1
1 384 . 3 1 1 A 32 32 LEU CB C 32 48.238 46.419 1.819 1
1 388 . 3 1 1 A 32 32 LEU N N 32 118.159 120.647 -2.488 1
1 389 . 3 1 1 A 33 33 SER H H 33 8.221 8.690 -0.469 1
1 390 . 3 1 1 A 33 33 SER N N 33 116.259 117.478 -1.219 1
1 391 . 3 1 1 A 34 34 PRO HA H 34 3.951 4.347 -0.396 1
1 398 . 3 1 1 A 34 34 PRO C C 34 178.473 179.011 -0.538 1
1 399 . 3 1 1 A 34 34 PRO CA C 34 66.404 65.010 1.394 1
1 400 . 3 1 1 A 34 34 PRO CB C 34 31.712 32.001 -0.289 1
1 403 . 3 1 1 A 35 35 SER H H 35 8.343 8.307 0.036 1
1 404 . 3 1 1 A 35 35 SER HA H 35 4.192 4.314 -0.122 1
1 406 . 3 1 1 A 35 35 SER C C 35 177.361 176.082 1.279 1
1 407 . 3 1 1 A 35 35 SER CA C 35 61.358 61.760 -0.402 1
1 408 . 3 1 1 A 35 35 SER CB C 35 62.140 62.643 -0.503 1
1 409 . 3 1 1 A 35 35 SER N N 35 111.653 114.250 -2.597 1
1 410 . 3 1 1 A 36 36 ARG H H 36 7.868 7.838 0.030 1
1 411 . 3 1 1 A 36 36 ARG HA H 36 4.243 4.221 0.022 1
1 418 . 3 1 1 A 36 36 ARG C C 36 178.850 178.577 0.273 1
1 419 . 3 1 1 A 36 36 ARG CA C 36 58.714 58.312 0.402 1
1 420 . 3 1 1 A 36 36 ARG CB C 36 29.804 29.957 -0.153 1
1 423 . 3 1 1 A 36 36 ARG N N 36 124.303 121.557 2.746 1
1 424 . 3 1 1 A 37 37 LEU H H 37 8.593 7.899 0.694 1
1 425 . 3 1 1 A 37 37 LEU HA H 37 4.052 4.130 -0.078 1
1 435 . 3 1 1 A 37 37 LEU C C 37 177.894 178.497 -0.603 1
1 436 . 3 1 1 A 37 37 LEU CA C 37 58.289 58.513 -0.224 1
1 437 . 3 1 1 A 37 37 LEU CB C 37 40.775 42.014 -1.239 1
1 441 . 3 1 1 A 37 37 LEU N N 37 119.319 121.819 -2.500 1
1 442 . 3 1 1 A 38 38 SER H H 38 8.478 8.554 -0.076 1
1 443 . 3 1 1 A 38 38 SER HA H 38 4.066 4.216 -0.150 1
1 444 . 3 1 1 A 38 38 SER C C 38 176.577 176.400 0.177 1
1 445 . 3 1 1 A 38 38 SER CA C 38 62.824 61.657 1.167 1
1 446 . 3 1 1 A 38 38 SER N N 38 113.612 115.028 -1.416 1
1 447 . 3 1 1 A 39 39 HIS H H 39 7.983 7.711 0.272 1
1 448 . 3 1 1 A 39 39 HIS HA H 39 4.403 4.276 0.127 1
1 453 . 3 1 1 A 39 39 HIS C C 39 177.138 176.777 0.361 1
1 454 . 3 1 1 A 39 39 HIS CA C 39 59.316 60.056 -0.740 1
1 455 . 3 1 1 A 39 39 HIS CB C 39 29.226 30.199 -0.973 1
1 458 . 3 1 1 A 39 39 HIS N N 39 119.938 122.007 -2.069 1
1 459 . 3 1 1 A 40 40 LEU H H 40 8.432 8.192 0.240 1
1 460 . 3 1 1 A 40 40 LEU HA H 40 4.045 4.004 0.041 1
1 470 . 3 1 1 A 40 40 LEU C C 40 178.876 179.161 -0.285 1
1 471 . 3 1 1 A 40 40 LEU CA C 40 57.990 57.813 0.177 1
1 472 . 3 1 1 A 40 40 LEU CB C 40 42.609 41.863 0.746 1
1 476 . 3 1 1 A 40 40 LEU N N 40 120.053 118.876 1.177 1
1 477 . 3 1 1 A 41 41 PHE H H 41 8.937 8.808 0.129 1
1 478 . 3 1 1 A 41 41 PHE HA H 41 3.736 3.988 -0.252 1
1 486 . 3 1 1 A 41 41 PHE C C 41 178.022 177.718 0.304 1
1 487 . 3 1 1 A 41 41 PHE CA C 41 62.523 62.231 0.292 1
1 488 . 3 1 1 A 41 41 PHE CB C 41 39.534 39.124 0.410 1
1 494 . 3 1 1 A 41 41 PHE N N 41 120.491 119.663 0.828 1
1 495 . 3 1 1 A 42 42 ARG H H 42 8.009 8.122 -0.113 1
1 496 . 3 1 1 A 42 42 ARG HA H 42 4.021 4.400 -0.379 1
1 502 . 3 1 1 A 42 42 ARG C C 42 179.850 179.133 0.717 1
1 503 . 3 1 1 A 42 42 ARG CA C 42 59.243 59.130 0.113 1
1 504 . 3 1 1 A 42 42 ARG CB C 42 29.748 29.697 0.051 1
1 507 . 3 1 1 A 42 42 ARG N N 42 117.688 118.278 -0.590 1
1 508 . 3 1 1 A 43 43 GLN H H 43 8.286 7.532 0.754 1
1 509 . 3 1 1 A 43 43 GLN HA H 43 4.006 4.086 -0.080 1
1 516 . 3 1 1 A 43 43 GLN C C 43 177.917 178.267 -0.350 1
1 517 . 3 1 1 A 43 43 GLN CA C 43 58.715 58.533 0.182 1
1 518 . 3 1 1 A 43 43 GLN CB C 43 29.345 28.628 0.717 1
1 521 . 3 1 1 A 43 43 GLN N N 43 118.179 117.715 0.464 1
1 523 . 3 1 1 A 44 44 GLN H H 44 8.296 8.179 0.117 1
1 524 . 3 1 1 A 44 44 GLN HA H 44 4.208 4.107 0.101 1
1 531 . 3 1 1 A 44 44 GLN C C 44 177.314 177.464 -0.150 1
1 532 . 3 1 1 A 44 44 GLN CA C 44 57.913 58.099 -0.186 1
1 533 . 3 1 1 A 44 44 GLN CB C 44 29.027 28.690 0.337 1
1 536 . 3 1 1 A 44 44 GLN N N 44 114.928 118.262 -3.334 1
1 538 . 3 1 1 A 45 45 LEU H H 45 8.463 8.021 0.442 1
1 539 . 3 1 1 A 45 45 LEU HA H 45 4.567 4.252 0.315 1
1 549 . 3 1 1 A 45 45 LEU C C 45 178.381 177.116 1.265 1
1 550 . 3 1 1 A 45 45 LEU CA C 45 54.564 55.129 -0.565 1
1 551 . 3 1 1 A 45 45 LEU CB C 45 43.031 42.406 0.625 1
1 555 . 3 1 1 A 45 45 LEU N N 45 117.028 116.886 0.142 1
1 556 . 3 1 1 A 46 46 GLY H H 46 7.852 8.892 -1.040 1
1 557 . 3 1 1 A 46 46 GLY HA2 H 46 4.005 3.878 0.127 1
1 558 . 3 1 1 A 46 46 GLY HA3 H 46 4.167 3.886 0.281 1
1 559 . 3 1 1 A 46 46 GLY C C 46 173.114 173.473 -0.359 1
1 560 . 3 1 1 A 46 46 GLY CA C 46 46.080 45.970 0.110 1
1 561 . 3 1 1 A 46 46 GLY N N 46 108.569 106.738 1.831 1
1 562 . 3 1 1 A 47 47 ILE H H 47 7.281 7.561 -0.280 1
1 563 . 3 1 1 A 47 47 ILE HA H 47 4.735 4.889 -0.154 1
1 573 . 3 1 1 A 47 47 ILE C C 47 172.231 174.778 -2.547 1
1 574 . 3 1 1 A 47 47 ILE CA C 47 59.240 58.780 0.460 1
1 575 . 3 1 1 A 47 47 ILE CB C 47 42.470 42.137 0.333 1
1 579 . 3 1 1 A 47 47 ILE N N 47 115.396 115.880 -0.484 1
1 580 . 3 1 1 A 48 48 SER H H 48 8.298 8.906 -0.608 1
1 581 . 3 1 1 A 48 48 SER HA H 48 4.725 4.749 -0.024 1
1 584 . 3 1 1 A 48 48 SER C C 48 174.600 176.296 -1.696 1
1 585 . 3 1 1 A 48 48 SER CA C 48 57.092 57.539 -0.447 1
1 586 . 3 1 1 A 48 48 SER CB C 48 65.286 64.669 0.617 1
1 587 . 3 1 1 A 48 48 SER N N 48 115.685 117.940 -2.255 1
1 588 . 3 1 1 A 49 49 VAL H H 49 8.296 8.815 -0.519 1
1 589 . 3 1 1 A 49 49 VAL HA H 49 3.081 3.824 -0.743 1
1 597 . 3 1 1 A 49 49 VAL C C 49 177.888 177.426 0.462 1
1 598 . 3 1 1 A 49 49 VAL CA C 49 65.881 67.479 -1.598 1
1 599 . 3 1 1 A 49 49 VAL CB C 49 31.149 31.665 -0.516 1
1 602 . 3 1 1 A 49 49 VAL N N 49 120.175 122.535 -2.360 1
1 603 . 3 1 1 A 50 50 LEU H H 50 8.138 8.271 -0.133 1
1 604 . 3 1 1 A 50 50 LEU HA H 50 4.011 4.096 -0.085 1
1 614 . 3 1 1 A 50 50 LEU C C 50 180.412 179.665 0.747 1
1 615 . 3 1 1 A 50 50 LEU CA C 50 57.962 58.005 -0.043 1
1 616 . 3 1 1 A 50 50 LEU CB C 50 41.224 41.293 -0.069 1
1 620 . 3 1 1 A 50 50 LEU N N 50 116.998 119.107 -2.109 1
1 621 . 3 1 1 A 51 51 SER H H 51 8.087 7.970 0.117 1
1 622 . 3 1 1 A 51 51 SER HA H 51 4.279 4.245 0.034 1
1 624 . 3 1 1 A 51 51 SER C C 51 176.081 176.865 -0.784 1
1 625 . 3 1 1 A 51 51 SER CA C 51 62.174 61.344 0.830 1
1 626 . 3 1 1 A 51 51 SER N N 51 117.207 114.797 2.410 1
1 627 . 3 1 1 A 52 52 TRP H H 52 8.913 8.302 0.611 1
1 628 . 3 1 1 A 52 52 TRP HA H 52 4.067 4.290 -0.223 1
1 637 . 3 1 1 A 52 52 TRP C C 52 178.579 178.016 0.563 1
1 638 . 3 1 1 A 52 52 TRP CA C 52 63.288 61.197 2.091 1
1 639 . 3 1 1 A 52 52 TRP CB C 52 29.159 29.790 -0.631 1
1 645 . 3 1 1 A 52 52 TRP N N 52 124.958 123.834 1.124 1
1 647 . 3 1 1 A 53 53 ARG H H 53 8.547 8.386 0.161 1
1 648 . 3 1 1 A 53 53 ARG HA H 53 3.578 3.488 0.090 1
1 654 . 3 1 1 A 53 53 ARG C C 53 177.290 178.843 -1.553 1
1 655 . 3 1 1 A 53 53 ARG CA C 53 60.443 59.476 0.967 1
1 656 . 3 1 1 A 53 53 ARG CB C 53 30.001 29.771 0.230 1
1 659 . 3 1 1 A 53 53 ARG N N 53 118.356 119.025 -0.669 1
1 660 . 3 1 1 A 54 54 GLU H H 54 8.002 7.724 0.278 1
1 661 . 3 1 1 A 54 54 GLU HA H 54 4.016 4.079 -0.063 1
1 666 . 3 1 1 A 54 54 GLU C C 54 178.460 178.197 0.263 1
1 667 . 3 1 1 A 54 54 GLU CA C 54 59.982 59.501 0.481 1
1 668 . 3 1 1 A 54 54 GLU CB C 54 29.759 29.092 0.667 1
1 670 . 3 1 1 A 54 54 GLU N N 54 118.818 119.007 -0.189 1
1 671 . 3 1 1 A 55 55 ASP H H 55 8.111 8.696 -0.585 1
1 672 . 3 1 1 A 55 55 ASP HA H 55 4.289 4.275 0.014 1
1 675 . 3 1 1 A 55 55 ASP C C 55 179.313 178.311 1.002 1
1 676 . 3 1 1 A 55 55 ASP CA C 55 57.131 57.601 -0.470 1
1 677 . 3 1 1 A 55 55 ASP CB C 55 40.227 42.042 -1.815 1
1 678 . 3 1 1 A 55 55 ASP N N 55 119.156 119.894 -0.738 1
1 679 . 3 1 1 A 56 56 GLN H H 56 8.099 7.436 0.663 1
1 680 . 3 1 1 A 56 56 GLN HA H 56 3.781 3.887 -0.106 1
1 687 . 3 1 1 A 56 56 GLN C C 56 178.700 178.448 0.252 1
1 688 . 3 1 1 A 56 56 GLN CA C 56 57.487 58.733 -1.246 1
1 689 . 3 1 1 A 56 56 GLN CB C 56 27.430 27.797 -0.367 1
1 692 . 3 1 1 A 56 56 GLN N N 56 119.807 118.119 1.688 1
1 694 . 3 1 1 A 57 57 ARG H H 57 8.240 7.753 0.487 1
1 695 . 3 1 1 A 57 57 ARG HA H 57 3.898 3.941 -0.043 1
1 702 . 3 1 1 A 57 57 ARG C C 57 178.185 178.580 -0.395 1
1 703 . 3 1 1 A 57 57 ARG CA C 57 60.671 58.975 1.696 1
1 704 . 3 1 1 A 57 57 ARG CB C 57 31.221 29.714 1.507 1
1 707 . 3 1 1 A 57 57 ARG N N 57 120.129 119.380 0.749 1
1 708 . 3 1 1 A 58 58 ILE H H 58 7.885 7.835 0.050 1
1 709 . 3 1 1 A 58 58 ILE HA H 58 3.978 3.929 0.049 1
1 719 . 3 1 1 A 58 58 ILE C C 58 178.357 178.044 0.313 1
1 720 . 3 1 1 A 58 58 ILE CA C 58 61.684 64.751 -3.067 1
1 721 . 3 1 1 A 58 58 ILE CB C 58 34.538 37.399 -2.861 1
1 725 . 3 1 1 A 58 58 ILE N N 58 118.096 120.979 -2.883 1
1 726 . 3 1 1 A 59 59 SER H H 59 8.563 7.966 0.597 1
1 727 . 3 1 1 A 59 59 SER HA H 59 4.010 4.142 -0.132 1
1 728 . 3 1 1 A 59 59 SER C C 59 177.731 176.724 1.007 1
1 729 . 3 1 1 A 59 59 SER CA C 59 62.459 61.596 0.863 1
1 730 . 3 1 1 A 59 59 SER N N 59 117.208 115.539 1.669 1
1 731 . 3 1 1 A 60 60 GLN H H 60 8.471 8.018 0.453 1
1 732 . 3 1 1 A 60 60 GLN HA H 60 4.228 3.996 0.232 1
1 739 . 3 1 1 A 60 60 GLN C C 60 177.958 177.717 0.241 1
1 740 . 3 1 1 A 60 60 GLN CA C 60 58.233 58.523 -0.290 1
1 741 . 3 1 1 A 60 60 GLN CB C 60 27.288 28.635 -1.347 1
1 744 . 3 1 1 A 60 60 GLN N N 60 121.780 121.525 0.255 1
1 746 . 3 1 1 A 61 61 ALA H H 61 8.504 7.896 0.608 1
1 747 . 3 1 1 A 61 61 ALA HA H 61 3.947 3.903 0.044 1
1 751 . 3 1 1 A 61 61 ALA C C 61 179.360 179.619 -0.259 1
1 752 . 3 1 1 A 61 61 ALA CA C 61 55.413 55.399 0.014 1
1 753 . 3 1 1 A 61 61 ALA CB C 61 18.124 18.134 -0.010 1
1 754 . 3 1 1 A 61 61 ALA N N 61 122.352 122.111 0.241 1
1 755 . 3 1 1 A 62 62 LYS H H 62 8.776 8.000 0.776 1
1 756 . 3 1 1 A 62 62 LYS HA H 62 3.722 4.177 -0.455 1
1 765 . 3 1 1 A 62 62 LYS C C 62 179.330 178.726 0.604 1
1 766 . 3 1 1 A 62 62 LYS CA C 62 60.632 59.248 1.384 1
1 767 . 3 1 1 A 62 62 LYS CB C 62 32.580 31.966 0.614 1
1 771 . 3 1 1 A 62 62 LYS N N 62 117.072 116.715 0.357 1
1 772 . 3 1 1 A 63 63 LEU H H 63 7.670 7.810 -0.140 1
1 773 . 3 1 1 A 63 63 LEU HA H 63 4.233 4.048 0.185 1
1 783 . 3 1 1 A 63 63 LEU C C 63 180.902 178.342 2.560 1
1 784 . 3 1 1 A 63 63 LEU CA C 63 58.446 58.059 0.387 1
1 785 . 3 1 1 A 63 63 LEU CB C 63 41.598 41.793 -0.195 1
1 789 . 3 1 1 A 63 63 LEU N N 63 121.196 121.459 -0.263 1
1 790 . 3 1 1 A 64 64 LEU H H 64 8.585 8.118 0.467 1
1 791 . 3 1 1 A 64 64 LEU HA H 64 4.088 3.995 0.093 1
1 801 . 3 1 1 A 64 64 LEU C C 64 180.869 179.331 1.538 1
1 802 . 3 1 1 A 64 64 LEU CA C 64 57.782 58.026 -0.244 1
1 803 . 3 1 1 A 64 64 LEU CB C 64 42.760 41.084 1.676 1
1 807 . 3 1 1 A 64 64 LEU N N 64 121.842 117.283 4.559 1
1 808 . 3 1 1 A 65 65 LEU H H 65 9.100 8.331 0.769 1
1 809 . 3 1 1 A 65 65 LEU HA H 65 4.346 4.235 0.111 1
1 819 . 3 1 1 A 65 65 LEU C C 65 178.659 179.515 -0.856 1
1 820 . 3 1 1 A 65 65 LEU CA C 65 57.408 57.626 -0.218 1
1 821 . 3 1 1 A 65 65 LEU CB C 65 43.013 41.274 1.739 1
1 825 . 3 1 1 A 65 65 LEU N N 65 119.872 120.355 -0.483 1
1 826 . 3 1 1 A 66 66 SER H H 66 8.303 7.679 0.624 1
1 827 . 3 1 1 A 66 66 SER HA H 66 4.211 4.309 -0.098 1
1 829 . 3 1 1 A 66 66 SER C C 66 176.580 174.995 1.585 1
1 830 . 3 1 1 A 66 66 SER CA C 66 60.155 61.603 -1.448 1
1 831 . 3 1 1 A 66 66 SER CB C 66 65.198 63.344 1.854 1
1 832 . 3 1 1 A 66 66 SER N N 66 110.490 115.552 -5.062 1
1 833 . 3 1 1 A 67 67 THR H H 67 7.901 7.911 -0.010 1
1 834 . 3 1 1 A 67 67 THR HA H 67 4.812 4.427 0.385 1
1 839 . 3 1 1 A 67 67 THR C C 67 174.240 174.161 0.079 1
1 840 . 3 1 1 A 67 67 THR CA C 67 62.400 62.175 0.225 1
1 841 . 3 1 1 A 67 67 THR CB C 67 71.512 69.382 2.130 1
1 843 . 3 1 1 A 67 67 THR N N 67 108.414 113.384 -4.970 1
1 844 . 3 1 1 A 68 68 THR H H 68 7.507 7.323 0.184 1
1 845 . 3 1 1 A 68 68 THR HA H 68 5.096 4.792 0.304 1
1 850 . 3 1 1 A 68 68 THR C C 68 174.263 173.996 0.267 1
1 851 . 3 1 1 A 68 68 THR CA C 68 60.124 59.488 0.636 1
1 852 . 3 1 1 A 68 68 THR CB C 68 72.795 71.964 0.831 1
1 854 . 3 1 1 A 68 68 THR N N 68 111.673 111.888 -0.215 1
1 855 . 3 1 1 A 69 69 ARG H H 69 8.767 8.708 0.059 1
1 856 . 3 1 1 A 69 69 ARG HA H 69 4.422 4.583 -0.161 1
1 863 . 3 1 1 A 69 69 ARG C C 69 176.568 176.109 0.459 1
1 864 . 3 1 1 A 69 69 ARG CA C 69 53.692 55.233 -1.541 1
1 865 . 3 1 1 A 69 69 ARG CB C 69 28.814 30.812 -1.998 1
1 868 . 3 1 1 A 69 69 ARG N N 69 118.034 122.621 -4.587 1
1 869 . 3 1 1 A 70 70 MET H H 70 7.996 7.557 0.439 1
1 870 . 3 1 1 A 70 70 MET HA H 70 4.470 4.509 -0.039 1
1 878 . 3 1 1 A 70 70 MET CA C 70 55.386 55.235 0.151 1
1 879 . 3 1 1 A 70 70 MET CB C 70 34.080 32.469 1.611 1
1 882 . 3 1 1 A 70 70 MET N N 70 122.491 120.035 2.456 1
1 883 . 3 1 1 A 71 71 PRO HA H 71 4.574 4.523 0.051 1
1 890 . 3 1 1 A 71 71 PRO C C 71 177.204 177.136 0.068 1
1 891 . 3 1 1 A 71 71 PRO CA C 71 62.915 62.424 0.491 1
1 892 . 3 1 1 A 71 71 PRO CB C 71 32.380 32.953 -0.573 1
1 895 . 3 1 1 A 72 72 ILE H H 72 8.782 8.402 0.380 1
1 896 . 3 1 1 A 72 72 ILE HA H 72 3.407 3.833 -0.426 1
1 906 . 3 1 1 A 72 72 ILE C C 72 177.760 178.288 -0.528 1
1 907 . 3 1 1 A 72 72 ILE CA C 72 65.627 64.628 0.999 1
1 908 . 3 1 1 A 72 72 ILE CB C 72 36.771 37.764 -0.993 1
1 912 . 3 1 1 A 72 72 ILE N N 72 124.417 122.483 1.934 1
1 913 . 3 1 1 A 73 73 ALA H H 73 9.109 8.137 0.972 1
1 914 . 3 1 1 A 73 73 ALA HA H 73 3.974 4.078 -0.104 1
1 918 . 3 1 1 A 73 73 ALA C C 73 180.248 179.643 0.605 1
1 919 . 3 1 1 A 73 73 ALA CA C 73 55.232 55.267 -0.035 1
1 920 . 3 1 1 A 73 73 ALA CB C 73 18.338 18.248 0.090 1
1 921 . 3 1 1 A 73 73 ALA N N 73 119.077 123.632 -4.555 1
1 922 . 3 1 1 A 74 74 THR H H 74 7.112 8.035 -0.923 1
1 923 . 3 1 1 A 74 74 THR HA H 74 3.875 3.931 -0.056 1
1 928 . 3 1 1 A 74 74 THR C C 74 175.761 176.433 -0.672 1
1 929 . 3 1 1 A 74 74 THR CA C 74 65.841 66.852 -1.011 1
1 930 . 3 1 1 A 74 74 THR CB C 74 68.248 68.128 0.120 1
1 932 . 3 1 1 A 74 74 THR N N 74 114.866 114.953 -0.087 1
1 933 . 3 1 1 A 75 75 VAL H H 75 8.087 8.065 0.022 1
1 934 . 3 1 1 A 75 75 VAL HA H 75 3.305 3.489 -0.184 1
1 942 . 3 1 1 A 75 75 VAL C C 75 177.048 177.457 -0.409 1
1 943 . 3 1 1 A 75 75 VAL CA C 75 67.681 66.442 1.239 1
1 944 . 3 1 1 A 75 75 VAL CB C 75 30.831 31.192 -0.361 1
1 947 . 3 1 1 A 75 75 VAL N N 75 123.901 121.521 2.380 1
1 948 . 3 1 1 A 76 76 GLY H H 76 7.673 8.014 -0.341 1
1 949 . 3 1 1 A 76 76 GLY HA2 H 76 2.235 3.249 -1.014 1
1 950 . 3 1 1 A 76 76 GLY HA3 H 76 3.003 3.664 -0.661 1
1 951 . 3 1 1 A 76 76 GLY C C 76 176.562 175.699 0.863 1
1 952 . 3 1 1 A 76 76 GLY CA C 76 46.293 46.894 -0.601 1
1 953 . 3 1 1 A 76 76 GLY N N 76 102.438 107.376 -4.938 1
1 954 . 3 1 1 A 77 77 ARG H H 77 7.760 7.550 0.210 1
1 955 . 3 1 1 A 77 77 ARG HA H 77 3.982 4.017 -0.035 1
1 962 . 3 1 1 A 77 77 ARG C C 77 180.332 178.676 1.656 1
1 963 . 3 1 1 A 77 77 ARG CA C 77 59.550 59.257 0.293 1
1 964 . 3 1 1 A 77 77 ARG CB C 77 30.085 30.048 0.037 1
1 967 . 3 1 1 A 77 77 ARG N N 77 122.228 121.763 0.465 1
1 968 . 3 1 1 A 78 78 ASN H H 78 8.230 7.707 0.523 1
1 969 . 3 1 1 A 78 78 ASN HA H 78 4.397 4.460 -0.063 1
1 974 . 3 1 1 A 78 78 ASN C C 78 176.105 176.878 -0.773 1
1 975 . 3 1 1 A 78 78 ASN CA C 78 55.615 55.968 -0.353 1
1 976 . 3 1 1 A 78 78 ASN CB C 78 38.806 38.416 0.390 1
1 978 . 3 1 1 A 78 78 ASN N N 78 119.139 117.293 1.846 1
1 980 . 3 1 1 A 79 79 VAL H H 79 7.323 7.169 0.154 1
1 981 . 3 1 1 A 79 79 VAL HA H 79 4.438 4.349 0.089 1
1 989 . 3 1 1 A 79 79 VAL C C 79 174.220 175.779 -1.559 1
1 990 . 3 1 1 A 79 79 VAL CA C 79 59.911 60.631 -0.720 1
1 991 . 3 1 1 A 79 79 VAL CB C 79 31.400 30.902 0.498 1
1 994 . 3 1 1 A 79 79 VAL N N 79 108.664 110.985 -2.321 1
1 995 . 3 1 1 A 80 80 GLY H H 80 7.286 7.769 -0.483 1
1 996 . 3 1 1 A 80 80 GLY HA2 H 80 3.540 3.956 -0.416 1
1 997 . 3 1 1 A 80 80 GLY HA3 H 80 4.023 3.992 0.031 1
1 998 . 3 1 1 A 80 80 GLY C C 80 174.383 174.789 -0.406 1
1 999 . 3 1 1 A 80 80 GLY CA C 80 45.739 45.995 -0.256 1
1 1000 . 3 1 1 A 80 80 GLY N N 80 104.635 110.092 -5.457 1
1 1001 . 3 1 1 A 81 81 PHE H H 81 8.535 8.221 0.314 1
1 1002 . 3 1 1 A 81 81 PHE HA H 81 4.845 4.489 0.356 1
1 1010 . 3 1 1 A 81 81 PHE C C 81 174.570 175.627 -1.057 1
1 1011 . 3 1 1 A 81 81 PHE CA C 81 56.375 58.855 -2.480 1
1 1012 . 3 1 1 A 81 81 PHE CB C 81 39.941 38.858 1.083 1
1 1018 . 3 1 1 A 81 81 PHE N N 81 119.772 119.482 0.290 1
1 1019 . 3 1 1 A 82 82 ASP H H 82 8.564 8.953 -0.389 1
1 1020 . 3 1 1 A 82 82 ASP HA H 82 4.491 4.663 -0.172 1
1 1023 . 3 1 1 A 82 82 ASP C C 82 175.170 176.227 -1.057 1
1 1024 . 3 1 1 A 82 82 ASP CA C 82 55.195 56.494 -1.299 1
1 1025 . 3 1 1 A 82 82 ASP CB C 82 41.010 42.170 -1.160 1
1 1026 . 3 1 1 A 82 82 ASP N N 82 123.028 124.729 -1.701 1
1 1027 . 3 1 1 A 83 83 ASP H H 83 7.789 7.905 -0.116 1
1 1028 . 3 1 1 A 83 83 ASP HA H 83 4.947 4.999 -0.052 1
1 1031 . 3 1 1 A 83 83 ASP C C 83 176.347 176.959 -0.612 1
1 1032 . 3 1 1 A 83 83 ASP CA C 83 52.690 53.906 -1.216 1
1 1033 . 3 1 1 A 83 83 ASP CB C 83 43.152 42.036 1.116 1
1 1034 . 3 1 1 A 83 83 ASP N N 83 118.576 119.374 -0.798 1
1 1035 . 3 1 1 A 84 84 GLN H H 84 9.104 8.779 0.325 1
1 1036 . 3 1 1 A 84 84 GLN HA H 84 4.333 4.195 0.138 1
1 1043 . 3 1 1 A 84 84 GLN C C 84 177.986 178.323 -0.337 1
1 1044 . 3 1 1 A 84 84 GLN CA C 84 58.909 58.864 0.045 1
1 1045 . 3 1 1 A 84 84 GLN CB C 84 28.267 27.865 0.402 1
1 1048 . 3 1 1 A 84 84 GLN N N 84 126.543 124.582 1.961 1
1 1050 . 3 1 1 A 85 85 LEU H H 85 8.419 8.201 0.218 1
1 1051 . 3 1 1 A 85 85 LEU HA H 85 4.210 4.170 0.040 1
1 1061 . 3 1 1 A 85 85 LEU C C 85 179.472 179.009 0.463 1
1 1062 . 3 1 1 A 85 85 LEU CA C 85 57.958 57.653 0.305 1
1 1063 . 3 1 1 A 85 85 LEU CB C 85 40.678 41.942 -1.264 1
1 1067 . 3 1 1 A 85 85 LEU N N 85 123.486 121.574 1.912 1
1 1068 . 3 1 1 A 86 86 TYR H H 86 8.042 8.536 -0.494 1
1 1069 . 3 1 1 A 86 86 TYR HA H 86 4.288 4.193 0.095 1
1 1076 . 3 1 1 A 86 86 TYR C C 86 177.195 177.661 -0.466 1
1 1077 . 3 1 1 A 86 86 TYR CA C 86 60.367 61.806 -1.439 1
1 1078 . 3 1 1 A 86 86 TYR CB C 86 38.184 38.470 -0.286 1
1 1083 . 3 1 1 A 86 86 TYR N N 86 122.679 120.149 2.530 1
1 1084 . 3 1 1 A 87 87 PHE H H 87 8.219 8.176 0.043 1
1 1085 . 3 1 1 A 87 87 PHE HA H 87 3.261 4.024 -0.763 1
1 1093 . 3 1 1 A 87 87 PHE C C 87 175.875 177.794 -1.919 1
1 1094 . 3 1 1 A 87 87 PHE CA C 87 58.536 62.209 -3.673 1
1 1095 . 3 1 1 A 87 87 PHE CB C 87 38.124 39.296 -1.172 1
1 1101 . 3 1 1 A 87 87 PHE N N 87 116.536 121.077 -4.541 1
1 1102 . 3 1 1 A 88 88 SER H H 88 8.082 8.213 -0.131 1
1 1103 . 3 1 1 A 88 88 SER HA H 88 3.951 3.887 0.064 1
1 1105 . 3 1 1 A 88 88 SER C C 88 175.926 177.062 -1.136 1
1 1106 . 3 1 1 A 88 88 SER CA C 88 62.398 61.521 0.877 1
1 1107 . 3 1 1 A 88 88 SER N N 88 112.937 113.864 -0.927 1
1 1108 . 3 1 1 A 89 89 ARG H H 89 7.843 8.115 -0.272 1
1 1109 . 3 1 1 A 89 89 ARG HA H 89 3.975 4.116 -0.141 1
1 1116 . 3 1 1 A 89 89 ARG C C 89 179.414 178.897 0.517 1
1 1117 . 3 1 1 A 89 89 ARG CA C 89 59.452 59.258 0.194 1
1 1118 . 3 1 1 A 89 89 ARG CB C 89 30.242 30.193 0.049 1
1 1121 . 3 1 1 A 89 89 ARG N N 89 121.621 122.243 -0.622 1
1 1122 . 3 1 1 A 90 90 VAL H H 90 8.235 7.846 0.389 1
1 1123 . 3 1 1 A 90 90 VAL HA H 90 3.530 3.591 -0.061 1
1 1131 . 3 1 1 A 90 90 VAL C C 90 177.752 178.034 -0.282 1
1 1132 . 3 1 1 A 90 90 VAL CA C 90 66.208 66.282 -0.074 1
1 1133 . 3 1 1 A 90 90 VAL CB C 90 31.649 31.896 -0.247 1
1 1136 . 3 1 1 A 90 90 VAL N N 90 122.095 119.954 2.141 1
1 1137 . 3 1 1 A 91 91 PHE H H 91 8.763 8.662 0.101 1
1 1138 . 3 1 1 A 91 91 PHE HA H 91 3.584 3.915 -0.331 1
1 1141 . 3 1 1 A 91 91 PHE C C 91 178.386 177.330 1.056 1
1 1142 . 3 1 1 A 91 91 PHE CA C 91 62.523 60.458 2.065 1
1 1143 . 3 1 1 A 91 91 PHE CB C 91 39.528 38.330 1.198 1
1 1144 . 3 1 1 A 91 91 PHE N N 91 121.769 120.073 1.696 1
1 1145 . 3 1 1 A 92 92 LYS H H 92 8.237 8.408 -0.171 1
1 1146 . 3 1 1 A 92 92 LYS HA H 92 4.217 4.317 -0.100 1
1 1153 . 3 1 1 A 92 92 LYS C C 92 179.621 179.352 0.269 1
1 1154 . 3 1 1 A 92 92 LYS CA C 92 58.597 60.127 -1.530 1
1 1155 . 3 1 1 A 92 92 LYS CB C 92 32.290 32.700 -0.410 1
1 1159 . 3 1 1 A 92 92 LYS N N 92 121.441 118.249 3.192 1
1 1160 . 3 1 1 A 93 93 LYS H H 93 8.013 7.418 0.595 1
1 1161 . 3 1 1 A 93 93 LYS HA H 93 3.956 4.079 -0.123 1
1 1169 . 3 1 1 A 93 93 LYS C C 93 178.611 179.380 -0.769 1
1 1170 . 3 1 1 A 93 93 LYS CA C 93 59.356 59.001 0.355 1
1 1171 . 3 1 1 A 93 93 LYS CB C 93 31.785 31.733 0.052 1
1 1175 . 3 1 1 A 93 93 LYS N N 93 122.286 118.722 3.564 1
1 1176 . 3 1 1 A 94 94 CYS H H 94 7.818 7.627 0.191 1
1 1177 . 3 1 1 A 94 94 CYS HA H 94 4.224 3.916 0.308 1
1 1180 . 3 1 1 A 94 94 CYS C C 94 176.440 175.916 0.524 1
1 1181 . 3 1 1 A 94 94 CYS CA C 94 62.517 62.276 0.241 1
1 1182 . 3 1 1 A 94 94 CYS CB C 94 28.104 26.108 1.996 1
1 1183 . 3 1 1 A 94 94 CYS N N 94 113.581 118.852 -5.271 1
1 1184 . 3 1 1 A 95 95 THR H H 95 8.038 7.211 0.827 1
1 1185 . 3 1 1 A 95 95 THR HA H 95 4.397 4.333 0.064 1
1 1190 . 3 1 1 A 95 95 THR C C 95 176.237 175.839 0.398 1
1 1191 . 3 1 1 A 95 95 THR CA C 95 62.507 61.706 0.801 1
1 1192 . 3 1 1 A 95 95 THR CB C 95 71.481 70.426 1.055 1
1 1194 . 3 1 1 A 95 95 THR N N 95 106.903 108.262 -1.359 1
1 1195 . 3 1 1 A 96 96 GLY H H 96 8.526 8.930 -0.404 1
1 1196 . 3 1 1 A 96 96 GLY HA2 H 96 3.724 3.852 -0.128 1
1 1197 . 3 1 1 A 96 96 GLY HA3 H 96 4.374 3.852 0.522 1
1 1198 . 3 1 1 A 96 96 GLY C C 96 172.550 173.348 -0.798 1
1 1199 . 3 1 1 A 96 96 GLY CA C 96 45.264 45.291 -0.027 1
1 1200 . 3 1 1 A 96 96 GLY N N 96 112.762 111.560 1.202 1
1 1201 . 3 1 1 A 97 97 ALA H H 97 8.560 7.115 1.445 1
1 1202 . 3 1 1 A 97 97 ALA HA H 97 4.841 4.808 0.033 1
1 1206 . 3 1 1 A 97 97 ALA C C 97 175.280 175.591 -0.311 1
1 1207 . 3 1 1 A 97 97 ALA CA C 97 50.176 51.050 -0.874 1
1 1208 . 3 1 1 A 97 97 ALA CB C 97 22.551 22.919 -0.368 1
1 1209 . 3 1 1 A 97 97 ALA N N 97 125.656 120.903 4.753 1
1 1210 . 3 1 1 A 98 98 SER H H 98 8.817 8.847 -0.030 1
1 1211 . 3 1 1 A 98 98 SER HA H 98 4.656 4.594 0.062 1
1 1212 . 3 1 1 A 98 98 SER CA C 98 56.612 57.315 -0.703 1
1 1213 . 3 1 1 A 98 98 SER N N 98 114.919 115.852 -0.933 1
1 1214 . 3 1 1 A 99 99 PRO HA H 99 3.500 4.385 -0.885 1
1 1220 . 3 1 1 A 99 99 PRO C C 99 177.585 178.067 -0.482 1
1 1221 . 3 1 1 A 99 99 PRO CA C 99 66.202 64.523 1.679 1
1 1222 . 3 1 1 A 99 99 PRO CB C 99 32.030 31.846 0.184 1
1 1225 . 3 1 1 A 100 100 SER H H 100 8.254 8.222 0.032 1
1 1226 . 3 1 1 A 100 100 SER HA H 100 4.029 4.238 -0.209 1
1 1227 . 3 1 1 A 100 100 SER C C 100 177.441 176.820 0.621 1
1 1228 . 3 1 1 A 100 100 SER CA C 100 61.891 61.006 0.885 1
1 1229 . 3 1 1 A 100 100 SER N N 100 111.230 112.238 -1.008 1
1 1230 . 3 1 1 A 101 101 GLU H H 101 7.848 7.886 -0.038 1
1 1231 . 3 1 1 A 101 101 GLU HA H 101 4.021 4.072 -0.051 1
1 1236 . 3 1 1 A 101 101 GLU C C 101 179.288 178.714 0.574 1
1 1237 . 3 1 1 A 101 101 GLU CA C 101 58.822 59.367 -0.545 1
1 1238 . 3 1 1 A 101 101 GLU CB C 101 29.846 29.655 0.191 1
1 1240 . 3 1 1 A 101 101 GLU N N 101 125.150 122.409 2.741 1
1 1241 . 3 1 1 A 102 102 PHE H H 102 8.923 8.082 0.841 1
1 1242 . 3 1 1 A 102 102 PHE HA H 102 4.155 4.119 0.036 1
1 1245 . 3 1 1 A 102 102 PHE C C 102 178.343 177.441 0.902 1
1 1246 . 3 1 1 A 102 102 PHE CA C 102 61.315 61.765 -0.450 1
1 1247 . 3 1 1 A 102 102 PHE CB C 102 40.083 39.358 0.725 1
1 1248 . 3 1 1 A 102 102 PHE N N 102 121.281 120.757 0.524 1
1 1249 . 3 1 1 A 103 103 ARG H H 103 8.210 8.251 -0.041 1
1 1250 . 3 1 1 A 103 103 ARG HA H 103 3.830 3.918 -0.088 1
1 1257 . 3 1 1 A 103 103 ARG C C 103 177.602 178.456 -0.854 1
1 1258 . 3 1 1 A 103 103 ARG CA C 103 59.235 59.354 -0.119 1
1 1261 . 3 1 1 A 103 103 ARG N N 103 119.223 118.404 0.819 1
1 1262 . 3 1 1 A 104 104 ALA H H 104 7.905 7.053 0.852 1
1 1263 . 3 1 1 A 104 104 ALA HA H 104 4.186 4.210 -0.024 1
1 1267 . 3 1 1 A 104 104 ALA C C 104 179.126 177.973 1.153 1
1 1268 . 3 1 1 A 104 104 ALA CA C 104 54.188 52.592 1.596 1
1 1269 . 3 1 1 A 104 104 ALA CB C 104 18.254 19.624 -1.370 1
1 1270 . 3 1 1 A 104 104 ALA N N 104 120.546 119.095 1.451 1
1 1271 . 3 1 1 A 105 105 GLY H H 105 7.676 7.890 -0.214 1
1 1272 . 3 1 1 A 105 105 GLY HA2 H 105 3.849 3.758 0.091 1
1 1273 . 3 1 1 A 105 105 GLY HA3 H 105 4.052 3.846 0.206 1
1 1274 . 3 1 1 A 105 105 GLY C C 105 174.515 174.071 0.444 1
1 1275 . 3 1 1 A 105 105 GLY CA C 105 45.317 45.467 -0.150 1
1 1276 . 3 1 1 A 105 105 GLY N N 105 104.677 107.081 -2.404 1
1 1277 . 3 1 1 A 106 106 CYS H H 106 7.599 7.987 -0.388 1
1 1278 . 3 1 1 A 106 106 CYS HA H 106 4.447 4.551 -0.104 1
1 1281 . 3 1 1 A 106 106 CYS C C 106 173.823 175.408 -1.585 1
1 1282 . 3 1 1 A 106 106 CYS CA C 106 59.123 58.569 0.554 1
1 1283 . 3 1 1 A 106 106 CYS CB C 106 28.004 28.407 -0.403 1
1 1284 . 3 1 1 A 106 106 CYS N N 106 118.321 119.748 -1.427 1
1 14 . 4 1 1 A 2 2 ASP H H 2 8.989 8.389 0.600 1
1 15 . 4 1 1 A 2 2 ASP HA H 2 4.662 4.629 0.033 1
1 18 . 4 1 1 A 2 2 ASP C C 2 177.024 177.190 -0.166 1
1 19 . 4 1 1 A 2 2 ASP CA C 2 54.092 54.353 -0.261 1
1 20 . 4 1 1 A 2 2 ASP CB C 2 42.743 42.820 -0.077 1
1 21 . 4 1 1 A 2 2 ASP N N 2 126.287 124.049 2.238 1
1 22 . 4 1 1 A 3 3 ASN H H 3 9.165 8.749 0.416 1
1 23 . 4 1 1 A 3 3 ASN HA H 3 4.446 4.335 0.111 1
1 28 . 4 1 1 A 3 3 ASN C C 3 177.306 177.120 0.186 1
1 29 . 4 1 1 A 3 3 ASN CA C 3 56.355 56.974 -0.619 1
1 30 . 4 1 1 A 3 3 ASN CB C 3 38.382 38.013 0.369 1
1 32 . 4 1 1 A 3 3 ASN N N 3 124.055 123.336 0.719 1
1 34 . 4 1 1 A 4 4 ARG H H 4 9.092 7.385 1.707 1
1 35 . 4 1 1 A 4 4 ARG HA H 4 4.183 4.021 0.162 1
1 42 . 4 1 1 A 4 4 ARG C C 4 178.824 178.326 0.498 1
1 43 . 4 1 1 A 4 4 ARG CA C 4 59.401 59.385 0.016 1
1 44 . 4 1 1 A 4 4 ARG CB C 4 29.437 30.371 -0.934 1
1 47 . 4 1 1 A 4 4 ARG N N 4 119.970 119.477 0.493 1
1 48 . 4 1 1 A 5 5 VAL H H 5 7.588 8.124 -0.536 1
1 49 . 4 1 1 A 5 5 VAL HA H 5 3.458 3.609 -0.151 1
1 57 . 4 1 1 A 5 5 VAL C C 5 177.573 178.038 -0.465 1
1 58 . 4 1 1 A 5 5 VAL CA C 5 66.543 66.816 -0.273 1
1 59 . 4 1 1 A 5 5 VAL CB C 5 31.294 31.046 0.248 1
1 62 . 4 1 1 A 5 5 VAL N N 5 119.312 119.810 -0.498 1
1 63 . 4 1 1 A 6 6 ARG H H 6 7.920 8.272 -0.352 1
1 64 . 4 1 1 A 6 6 ARG HA H 6 3.860 3.875 -0.015 1
1 71 . 4 1 1 A 6 6 ARG C C 6 179.380 178.686 0.694 1
1 72 . 4 1 1 A 6 6 ARG CA C 6 60.197 59.489 0.708 1
1 73 . 4 1 1 A 6 6 ARG CB C 6 29.818 29.541 0.277 1
1 76 . 4 1 1 A 6 6 ARG N N 6 120.863 119.768 1.095 1
1 77 . 4 1 1 A 7 7 GLU H H 7 8.262 7.903 0.359 1
1 78 . 4 1 1 A 7 7 GLU HA H 7 4.241 4.137 0.104 1
1 83 . 4 1 1 A 7 7 GLU C C 7 179.131 178.803 0.328 1
1 84 . 4 1 1 A 7 7 GLU CA C 7 58.770 59.267 -0.497 1
1 85 . 4 1 1 A 7 7 GLU CB C 7 28.883 29.037 -0.154 1
1 87 . 4 1 1 A 7 7 GLU N N 7 119.166 119.551 -0.385 1
1 88 . 4 1 1 A 8 8 ALA H H 8 8.421 7.940 0.481 1
1 89 . 4 1 1 A 8 8 ALA HA H 8 4.046 4.471 -0.425 1
1 93 . 4 1 1 A 8 8 ALA C C 8 179.202 179.657 -0.455 1
1 94 . 4 1 1 A 8 8 ALA CA C 8 55.610 55.298 0.312 1
1 95 . 4 1 1 A 8 8 ALA CB C 8 18.512 18.716 -0.204 1
1 96 . 4 1 1 A 8 8 ALA N N 8 123.947 120.933 3.014 1
1 97 . 4 1 1 A 9 9 CYS H H 9 8.490 8.208 0.282 1
1 98 . 4 1 1 A 9 9 CYS HA H 9 3.767 4.440 -0.673 1
1 101 . 4 1 1 A 9 9 CYS C C 9 176.858 177.703 -0.845 1
1 102 . 4 1 1 A 9 9 CYS CA C 9 64.480 62.569 1.911 1
1 103 . 4 1 1 A 9 9 CYS CB C 9 26.690 27.312 -0.622 1
1 104 . 4 1 1 A 9 9 CYS N N 9 116.232 118.248 -2.016 1
1 105 . 4 1 1 A 10 10 GLN H H 10 8.088 7.790 0.298 1
1 106 . 4 1 1 A 10 10 GLN HA H 10 4.022 4.146 -0.124 1
1 113 . 4 1 1 A 10 10 GLN C C 10 177.140 178.260 -1.120 1
1 114 . 4 1 1 A 10 10 GLN CA C 10 58.804 59.272 -0.468 1
1 115 . 4 1 1 A 10 10 GLN CB C 10 28.299 28.711 -0.412 1
1 118 . 4 1 1 A 10 10 GLN N N 10 120.817 119.976 0.841 1
1 120 . 4 1 1 A 11 11 TYR H H 11 8.367 7.737 0.630 1
1 121 . 4 1 1 A 11 11 TYR HA H 11 4.308 4.160 0.148 1
1 128 . 4 1 1 A 11 11 TYR C C 11 178.986 177.180 1.806 1
1 129 . 4 1 1 A 11 11 TYR CA C 11 61.850 61.460 0.390 1
1 130 . 4 1 1 A 11 11 TYR CB C 11 38.653 38.464 0.189 1
1 135 . 4 1 1 A 11 11 TYR N N 11 120.419 120.833 -0.414 1
1 136 . 4 1 1 A 12 12 ILE H H 12 8.886 8.691 0.195 1
1 137 . 4 1 1 A 12 12 ILE HA H 12 3.700 3.306 0.394 1
1 147 . 4 1 1 A 12 12 ILE C C 12 179.352 177.867 1.485 1
1 148 . 4 1 1 A 12 12 ILE CA C 12 65.621 65.314 0.307 1
1 149 . 4 1 1 A 12 12 ILE CB C 12 38.203 38.038 0.165 1
1 153 . 4 1 1 A 12 12 ILE N N 12 119.720 121.469 -1.749 1
1 154 . 4 1 1 A 13 13 SER H H 13 8.740 8.366 0.374 1
1 155 . 4 1 1 A 13 13 SER HA H 13 4.753 4.039 0.714 1
1 158 . 4 1 1 A 13 13 SER C C 13 176.355 177.042 -0.687 1
1 159 . 4 1 1 A 13 13 SER CA C 13 62.551 61.622 0.929 1
1 160 . 4 1 1 A 13 13 SER CB C 13 62.468 62.766 -0.298 1
1 161 . 4 1 1 A 13 13 SER N N 13 116.217 116.402 -0.185 1
1 162 . 4 1 1 A 14 14 ASP H H 14 8.426 8.099 0.327 1
1 163 . 4 1 1 A 14 14 ASP HA H 14 4.438 4.528 -0.090 1
1 166 . 4 1 1 A 14 14 ASP C C 14 176.838 177.672 -0.834 1
1 167 . 4 1 1 A 14 14 ASP CA C 14 55.988 56.601 -0.613 1
1 168 . 4 1 1 A 14 14 ASP CB C 14 40.500 40.706 -0.206 1
1 169 . 4 1 1 A 14 14 ASP N N 14 121.201 121.735 -0.534 1
1 170 . 4 1 1 A 15 15 HIS H H 15 7.530 7.593 -0.063 1
1 171 . 4 1 1 A 15 15 HIS HA H 15 4.661 4.756 -0.095 1
1 176 . 4 1 1 A 15 15 HIS C C 15 175.451 175.593 -0.142 1
1 177 . 4 1 1 A 15 15 HIS CA C 15 55.320 55.293 0.027 1
1 178 . 4 1 1 A 15 15 HIS CB C 15 28.275 29.324 -1.049 1
1 181 . 4 1 1 A 15 15 HIS N N 15 116.777 115.699 1.078 1
1 182 . 4 1 1 A 16 16 LEU H H 16 7.271 7.500 -0.229 1
1 183 . 4 1 1 A 16 16 LEU HA H 16 3.812 3.818 -0.006 1
1 193 . 4 1 1 A 16 16 LEU C C 16 176.627 178.234 -1.607 1
1 194 . 4 1 1 A 16 16 LEU CA C 16 58.076 57.739 0.337 1
1 195 . 4 1 1 A 16 16 LEU CB C 16 42.531 41.314 1.217 1
1 199 . 4 1 1 A 16 16 LEU N N 16 122.531 122.478 0.053 1
1 200 . 4 1 1 A 17 17 ALA H H 17 8.243 7.270 0.973 1
1 201 . 4 1 1 A 17 17 ALA HA H 17 3.937 4.364 -0.427 1
1 205 . 4 1 1 A 17 17 ALA C C 17 177.131 176.957 0.174 1
1 206 . 4 1 1 A 17 17 ALA CA C 17 51.802 51.870 -0.068 1
1 207 . 4 1 1 A 17 17 ALA CB C 17 18.473 20.172 -1.699 1
1 208 . 4 1 1 A 17 17 ALA N N 17 116.354 119.308 -2.954 1
1 209 . 4 1 1 A 18 18 ASP H H 18 7.488 7.567 -0.079 1
1 210 . 4 1 1 A 18 18 ASP HA H 18 4.455 4.553 -0.098 1
1 213 . 4 1 1 A 18 18 ASP C C 18 177.370 175.446 1.924 1
1 214 . 4 1 1 A 18 18 ASP CA C 18 54.571 54.513 0.058 1
1 215 . 4 1 1 A 18 18 ASP CB C 18 40.521 41.068 -0.547 1
1 216 . 4 1 1 A 18 18 ASP N N 18 119.230 119.065 0.165 1
1 217 . 4 1 1 A 19 19 SER H H 19 8.793 8.784 0.009 1
1 218 . 4 1 1 A 19 19 SER HA H 19 4.424 4.629 -0.205 1
1 221 . 4 1 1 A 19 19 SER C C 19 174.779 174.699 0.080 1
1 222 . 4 1 1 A 19 19 SER CA C 19 59.706 60.613 -0.907 1
1 223 . 4 1 1 A 19 19 SER CB C 19 63.351 64.256 -0.905 1
1 224 . 4 1 1 A 19 19 SER N N 19 119.892 116.504 3.388 1
1 225 . 4 1 1 A 20 20 ASN H H 20 8.520 8.094 0.426 1
1 226 . 4 1 1 A 20 20 ASN HA H 20 4.869 4.932 -0.063 1
1 231 . 4 1 1 A 20 20 ASN C C 20 173.838 174.654 -0.816 1
1 232 . 4 1 1 A 20 20 ASN CA C 20 52.586 53.609 -1.023 1
1 233 . 4 1 1 A 20 20 ASN CB C 20 38.799 38.524 0.275 1
1 235 . 4 1 1 A 20 20 ASN N N 20 119.769 118.957 0.812 1
1 237 . 4 1 1 A 21 21 PHE H H 21 8.082 9.031 -0.949 1
1 238 . 4 1 1 A 21 21 PHE HA H 21 4.397 5.400 -1.003 1
1 246 . 4 1 1 A 21 21 PHE C C 21 173.520 173.240 0.280 1
1 247 . 4 1 1 A 21 21 PHE CA C 21 58.672 56.274 2.398 1
1 248 . 4 1 1 A 21 21 PHE CB C 21 40.704 42.368 -1.664 1
1 254 . 4 1 1 A 21 21 PHE N N 21 121.875 126.095 -4.220 1
1 255 . 4 1 1 A 22 22 ASP H H 22 7.570 8.601 -1.031 1
1 256 . 4 1 1 A 22 22 ASP HA H 22 4.563 4.823 -0.260 1
1 259 . 4 1 1 A 22 22 ASP C C 22 175.674 175.972 -0.298 1
1 260 . 4 1 1 A 22 22 ASP CA C 22 52.049 52.354 -0.305 1
1 261 . 4 1 1 A 22 22 ASP CB C 22 43.023 42.054 0.969 1
1 262 . 4 1 1 A 22 22 ASP N N 22 126.780 128.089 -1.309 1
1 263 . 4 1 1 A 23 23 ILE H H 23 8.720 8.472 0.248 1
1 264 . 4 1 1 A 23 23 ILE HA H 23 3.555 3.583 -0.028 1
1 274 . 4 1 1 A 23 23 ILE C C 23 176.441 177.303 -0.862 1
1 275 . 4 1 1 A 23 23 ILE CA C 23 63.650 63.427 0.223 1
1 276 . 4 1 1 A 23 23 ILE CB C 23 37.741 37.856 -0.115 1
1 280 . 4 1 1 A 23 23 ILE N N 23 124.815 127.021 -2.206 1
1 281 . 4 1 1 A 24 24 ALA H H 24 8.543 8.119 0.424 1
1 282 . 4 1 1 A 24 24 ALA HA H 24 3.917 4.066 -0.149 1
1 286 . 4 1 1 A 24 24 ALA C C 24 180.227 179.599 0.628 1
1 287 . 4 1 1 A 24 24 ALA CA C 24 55.413 55.349 0.064 1
1 288 . 4 1 1 A 24 24 ALA CB C 24 17.760 17.773 -0.013 1
1 289 . 4 1 1 A 24 24 ALA N N 24 123.943 124.194 -0.251 1
1 290 . 4 1 1 A 25 25 SER H H 25 7.844 7.895 -0.051 1
1 291 . 4 1 1 A 25 25 SER HA H 25 4.246 4.068 0.178 1
1 293 . 4 1 1 A 25 25 SER C C 25 176.667 176.263 0.404 1
1 294 . 4 1 1 A 25 25 SER CA C 25 61.238 61.708 -0.470 1
1 295 . 4 1 1 A 25 25 SER CB C 25 62.402 62.969 -0.567 1
1 296 . 4 1 1 A 25 25 SER N N 25 114.143 113.426 0.717 1
1 297 . 4 1 1 A 26 26 VAL H H 26 7.086 7.865 -0.779 1
1 298 . 4 1 1 A 26 26 VAL HA H 26 3.198 3.768 -0.570 1
1 306 . 4 1 1 A 26 26 VAL C C 26 176.670 178.011 -1.341 1
1 307 . 4 1 1 A 26 26 VAL CA C 26 64.809 66.612 -1.803 1
1 308 . 4 1 1 A 26 26 VAL CB C 26 31.274 31.641 -0.367 1
1 311 . 4 1 1 A 26 26 VAL N N 26 122.369 122.064 0.305 1
1 312 . 4 1 1 A 27 27 ALA H H 27 8.043 7.875 0.168 1
1 313 . 4 1 1 A 27 27 ALA HA H 27 3.775 4.004 -0.229 1
1 317 . 4 1 1 A 27 27 ALA C C 27 178.948 179.262 -0.314 1
1 318 . 4 1 1 A 27 27 ALA CA C 27 55.507 55.710 -0.203 1
1 319 . 4 1 1 A 27 27 ALA CB C 27 17.412 18.105 -0.693 1
1 320 . 4 1 1 A 27 27 ALA N N 27 122.045 122.136 -0.091 1
1 321 . 4 1 1 A 28 28 GLN H H 28 8.089 8.001 0.088 1
1 322 . 4 1 1 A 28 28 GLN HA H 28 4.053 4.052 0.001 1
1 329 . 4 1 1 A 28 28 GLN C C 28 179.289 178.260 1.029 1
1 330 . 4 1 1 A 28 28 GLN CA C 28 58.625 58.318 0.307 1
1 331 . 4 1 1 A 28 28 GLN CB C 28 28.155 28.320 -0.165 1
1 334 . 4 1 1 A 28 28 GLN N N 28 116.168 116.289 -0.121 1
1 336 . 4 1 1 A 29 29 HIS H H 29 7.454 7.978 -0.524 1
1 337 . 4 1 1 A 29 29 HIS HA H 29 4.209 4.103 0.106 1
1 342 . 4 1 1 A 29 29 HIS C C 29 175.895 176.924 -1.029 1
1 343 . 4 1 1 A 29 29 HIS CA C 29 59.132 59.303 -0.171 1
1 344 . 4 1 1 A 29 29 HIS CB C 29 28.947 29.662 -0.715 1
1 347 . 4 1 1 A 29 29 HIS N N 29 118.117 119.663 -1.546 1
1 348 . 4 1 1 A 30 30 VAL H H 30 7.309 7.039 0.270 1
1 349 . 4 1 1 A 30 30 VAL HA H 30 4.441 4.110 0.331 1
1 357 . 4 1 1 A 30 30 VAL C C 30 173.598 174.462 -0.864 1
1 358 . 4 1 1 A 30 30 VAL CA C 30 59.948 60.696 -0.748 1
1 359 . 4 1 1 A 30 30 VAL CB C 30 31.067 31.136 -0.069 1
1 362 . 4 1 1 A 30 30 VAL N N 30 106.791 109.764 -2.973 1
1 363 . 4 1 1 A 31 31 CYS H H 31 7.837 8.026 -0.189 1
1 364 . 4 1 1 A 31 31 CYS HA H 31 3.929 4.117 -0.188 1
1 367 . 4 1 1 A 31 31 CYS C C 31 173.679 173.076 0.603 1
1 368 . 4 1 1 A 31 31 CYS CA C 31 59.814 60.426 -0.612 1
1 369 . 4 1 1 A 31 31 CYS CB C 31 24.898 26.003 -1.105 1
1 370 . 4 1 1 A 31 31 CYS N N 31 116.363 117.463 -1.100 1
1 371 . 4 1 1 A 32 32 LEU H H 32 8.061 7.849 0.212 1
1 372 . 4 1 1 A 32 32 LEU HA H 32 4.871 4.781 0.090 1
1 382 . 4 1 1 A 32 32 LEU C C 32 176.243 175.269 0.974 1
1 383 . 4 1 1 A 32 32 LEU CA C 32 52.555 53.821 -1.266 1
1 384 . 4 1 1 A 32 32 LEU CB C 32 48.238 45.891 2.347 1
1 388 . 4 1 1 A 32 32 LEU N N 32 118.159 120.164 -2.005 1
1 389 . 4 1 1 A 33 33 SER H H 33 8.221 8.653 -0.432 1
1 390 . 4 1 1 A 33 33 SER N N 33 116.259 120.131 -3.872 1
1 391 . 4 1 1 A 34 34 PRO HA H 34 3.951 4.349 -0.398 1
1 398 . 4 1 1 A 34 34 PRO C C 34 178.473 178.020 0.453 1
1 399 . 4 1 1 A 34 34 PRO CA C 34 66.404 65.043 1.361 1
1 400 . 4 1 1 A 34 34 PRO CB C 34 31.712 32.002 -0.290 1
1 403 . 4 1 1 A 35 35 SER H H 35 8.343 8.247 0.096 1
1 404 . 4 1 1 A 35 35 SER HA H 35 4.192 4.257 -0.065 1
1 406 . 4 1 1 A 35 35 SER C C 35 177.361 177.605 -0.244 1
1 407 . 4 1 1 A 35 35 SER CA C 35 61.358 61.380 -0.022 1
1 408 . 4 1 1 A 35 35 SER CB C 35 62.140 62.917 -0.777 1
1 409 . 4 1 1 A 35 35 SER N N 35 111.653 112.277 -0.624 1
1 410 . 4 1 1 A 36 36 ARG H H 36 7.868 7.842 0.026 1
1 411 . 4 1 1 A 36 36 ARG HA H 36 4.243 4.249 -0.006 1
1 418 . 4 1 1 A 36 36 ARG C C 36 178.850 178.474 0.376 1
1 419 . 4 1 1 A 36 36 ARG CA C 36 58.714 58.298 0.416 1
1 420 . 4 1 1 A 36 36 ARG CB C 36 29.804 29.837 -0.033 1
1 423 . 4 1 1 A 36 36 ARG N N 36 124.303 122.485 1.818 1
1 424 . 4 1 1 A 37 37 LEU H H 37 8.593 8.074 0.519 1
1 425 . 4 1 1 A 37 37 LEU HA H 37 4.052 4.127 -0.075 1
1 435 . 4 1 1 A 37 37 LEU C C 37 177.894 178.934 -1.040 1
1 436 . 4 1 1 A 37 37 LEU CA C 37 58.289 58.511 -0.222 1
1 437 . 4 1 1 A 37 37 LEU CB C 37 40.775 42.022 -1.247 1
1 441 . 4 1 1 A 37 37 LEU N N 37 119.319 121.721 -2.402 1
1 442 . 4 1 1 A 38 38 SER H H 38 8.478 8.304 0.174 1
1 443 . 4 1 1 A 38 38 SER HA H 38 4.066 4.167 -0.101 1
1 444 . 4 1 1 A 38 38 SER C C 38 176.577 175.904 0.673 1
1 445 . 4 1 1 A 38 38 SER CA C 38 62.824 62.970 -0.146 1
1 446 . 4 1 1 A 38 38 SER N N 38 113.612 116.639 -3.027 1
1 447 . 4 1 1 A 39 39 HIS H H 39 7.983 7.642 0.341 1
1 448 . 4 1 1 A 39 39 HIS HA H 39 4.403 4.276 0.127 1
1 453 . 4 1 1 A 39 39 HIS C C 39 177.138 176.773 0.365 1
1 454 . 4 1 1 A 39 39 HIS CA C 39 59.316 60.045 -0.729 1
1 455 . 4 1 1 A 39 39 HIS CB C 39 29.226 30.198 -0.972 1
1 458 . 4 1 1 A 39 39 HIS N N 39 119.938 122.445 -2.507 1
1 459 . 4 1 1 A 40 40 LEU H H 40 8.432 8.192 0.240 1
1 460 . 4 1 1 A 40 40 LEU HA H 40 4.045 4.018 0.027 1
1 470 . 4 1 1 A 40 40 LEU C C 40 178.876 179.149 -0.273 1
1 471 . 4 1 1 A 40 40 LEU CA C 40 57.990 57.818 0.172 1
1 472 . 4 1 1 A 40 40 LEU CB C 40 42.609 41.827 0.782 1
1 476 . 4 1 1 A 40 40 LEU N N 40 120.053 118.885 1.168 1
1 477 . 4 1 1 A 41 41 PHE H H 41 8.937 8.817 0.120 1
1 478 . 4 1 1 A 41 41 PHE HA H 41 3.736 3.933 -0.197 1
1 486 . 4 1 1 A 41 41 PHE C C 41 178.022 177.643 0.379 1
1 487 . 4 1 1 A 41 41 PHE CA C 41 62.523 62.122 0.401 1
1 488 . 4 1 1 A 41 41 PHE CB C 41 39.534 38.993 0.541 1
1 494 . 4 1 1 A 41 41 PHE N N 41 120.491 119.675 0.816 1
1 495 . 4 1 1 A 42 42 ARG H H 42 8.009 8.276 -0.267 1
1 496 . 4 1 1 A 42 42 ARG HA H 42 4.021 4.466 -0.445 1
1 502 . 4 1 1 A 42 42 ARG C C 42 179.850 178.629 1.221 1
1 503 . 4 1 1 A 42 42 ARG CA C 42 59.243 59.210 0.033 1
1 504 . 4 1 1 A 42 42 ARG CB C 42 29.748 29.961 -0.213 1
1 507 . 4 1 1 A 42 42 ARG N N 42 117.688 117.722 -0.034 1
1 508 . 4 1 1 A 43 43 GLN H H 43 8.286 7.456 0.830 1
1 509 . 4 1 1 A 43 43 GLN HA H 43 4.006 3.992 0.014 1
1 516 . 4 1 1 A 43 43 GLN C C 43 177.917 178.264 -0.347 1
1 517 . 4 1 1 A 43 43 GLN CA C 43 58.715 58.904 -0.189 1
1 518 . 4 1 1 A 43 43 GLN CB C 43 29.345 28.734 0.611 1
1 521 . 4 1 1 A 43 43 GLN N N 43 118.179 119.641 -1.462 1
1 523 . 4 1 1 A 44 44 GLN H H 44 8.296 8.193 0.103 1
1 524 . 4 1 1 A 44 44 GLN HA H 44 4.208 4.112 0.096 1
1 531 . 4 1 1 A 44 44 GLN C C 44 177.314 177.470 -0.156 1
1 532 . 4 1 1 A 44 44 GLN CA C 44 57.913 58.106 -0.193 1
1 533 . 4 1 1 A 44 44 GLN CB C 44 29.027 28.722 0.305 1
1 536 . 4 1 1 A 44 44 GLN N N 44 114.928 118.051 -3.123 1
1 538 . 4 1 1 A 45 45 LEU H H 45 8.463 8.031 0.432 1
1 539 . 4 1 1 A 45 45 LEU HA H 45 4.567 4.258 0.309 1
1 549 . 4 1 1 A 45 45 LEU C C 45 178.381 177.075 1.306 1
1 550 . 4 1 1 A 45 45 LEU CA C 45 54.564 55.164 -0.600 1
1 551 . 4 1 1 A 45 45 LEU CB C 45 43.031 42.370 0.661 1
1 555 . 4 1 1 A 45 45 LEU N N 45 117.028 116.887 0.141 1
1 556 . 4 1 1 A 46 46 GLY H H 46 7.852 8.909 -1.057 1
1 557 . 4 1 1 A 46 46 GLY HA2 H 46 4.005 3.878 0.127 1
1 558 . 4 1 1 A 46 46 GLY HA3 H 46 4.167 3.884 0.283 1
1 559 . 4 1 1 A 46 46 GLY C C 46 173.114 173.471 -0.357 1
1 560 . 4 1 1 A 46 46 GLY CA C 46 46.080 45.964 0.116 1
1 561 . 4 1 1 A 46 46 GLY N N 46 108.569 106.749 1.820 1
1 562 . 4 1 1 A 47 47 ILE H H 47 7.281 7.543 -0.262 1
1 563 . 4 1 1 A 47 47 ILE HA H 47 4.735 4.886 -0.151 1
1 573 . 4 1 1 A 47 47 ILE C C 47 172.231 174.333 -2.102 1
1 574 . 4 1 1 A 47 47 ILE CA C 47 59.240 58.817 0.423 1
1 575 . 4 1 1 A 47 47 ILE CB C 47 42.470 42.084 0.386 1
1 579 . 4 1 1 A 47 47 ILE N N 47 115.396 115.882 -0.486 1
1 580 . 4 1 1 A 48 48 SER H H 48 8.298 8.825 -0.527 1
1 581 . 4 1 1 A 48 48 SER HA H 48 4.725 4.622 0.103 1
1 584 . 4 1 1 A 48 48 SER C C 48 174.600 175.805 -1.205 1
1 585 . 4 1 1 A 48 48 SER CA C 48 57.092 58.954 -1.862 1
1 586 . 4 1 1 A 48 48 SER CB C 48 65.286 63.698 1.588 1
1 587 . 4 1 1 A 48 48 SER N N 48 115.685 118.903 -3.218 1
1 588 . 4 1 1 A 49 49 VAL H H 49 8.296 8.790 -0.494 1
1 589 . 4 1 1 A 49 49 VAL HA H 49 3.081 3.834 -0.753 1
1 597 . 4 1 1 A 49 49 VAL C C 49 177.888 177.790 0.098 1
1 598 . 4 1 1 A 49 49 VAL CA C 49 65.881 67.528 -1.647 1
1 599 . 4 1 1 A 49 49 VAL CB C 49 31.149 31.563 -0.414 1
1 602 . 4 1 1 A 49 49 VAL N N 49 120.175 124.046 -3.871 1
1 603 . 4 1 1 A 50 50 LEU H H 50 8.138 8.338 -0.200 1
1 604 . 4 1 1 A 50 50 LEU HA H 50 4.011 4.086 -0.075 1
1 614 . 4 1 1 A 50 50 LEU C C 50 180.412 179.008 1.404 1
1 615 . 4 1 1 A 50 50 LEU CA C 50 57.962 57.927 0.035 1
1 616 . 4 1 1 A 50 50 LEU CB C 50 41.224 41.480 -0.256 1
1 620 . 4 1 1 A 50 50 LEU N N 50 116.998 120.414 -3.416 1
1 621 . 4 1 1 A 51 51 SER H H 51 8.087 8.181 -0.094 1
1 622 . 4 1 1 A 51 51 SER HA H 51 4.279 4.195 0.084 1
1 624 . 4 1 1 A 51 51 SER C C 51 176.081 175.950 0.131 1
1 625 . 4 1 1 A 51 51 SER CA C 51 62.174 62.677 -0.503 1
1 626 . 4 1 1 A 51 51 SER N N 51 117.207 116.377 0.830 1
1 627 . 4 1 1 A 52 52 TRP H H 52 8.913 8.339 0.574 1
1 628 . 4 1 1 A 52 52 TRP HA H 52 4.067 4.235 -0.168 1
1 637 . 4 1 1 A 52 52 TRP C C 52 178.579 178.041 0.538 1
1 638 . 4 1 1 A 52 52 TRP CA C 52 63.288 61.201 2.087 1
1 639 . 4 1 1 A 52 52 TRP CB C 52 29.159 29.820 -0.661 1
1 645 . 4 1 1 A 52 52 TRP N N 52 124.958 124.262 0.696 1
1 647 . 4 1 1 A 53 53 ARG H H 53 8.547 8.306 0.241 1
1 648 . 4 1 1 A 53 53 ARG HA H 53 3.578 3.504 0.074 1
1 654 . 4 1 1 A 53 53 ARG C C 53 177.290 179.147 -1.857 1
1 655 . 4 1 1 A 53 53 ARG CA C 53 60.443 59.477 0.966 1
1 656 . 4 1 1 A 53 53 ARG CB C 53 30.001 29.795 0.206 1
1 659 . 4 1 1 A 53 53 ARG N N 53 118.356 118.770 -0.414 1
1 660 . 4 1 1 A 54 54 GLU H H 54 8.002 7.772 0.230 1
1 661 . 4 1 1 A 54 54 GLU HA H 54 4.016 4.064 -0.048 1
1 666 . 4 1 1 A 54 54 GLU C C 54 178.460 178.976 -0.516 1
1 667 . 4 1 1 A 54 54 GLU CA C 54 59.982 59.405 0.577 1
1 668 . 4 1 1 A 54 54 GLU CB C 54 29.759 29.314 0.445 1
1 670 . 4 1 1 A 54 54 GLU N N 54 118.818 118.271 0.547 1
1 671 . 4 1 1 A 55 55 ASP H H 55 8.111 8.277 -0.166 1
1 672 . 4 1 1 A 55 55 ASP HA H 55 4.289 4.282 0.007 1
1 675 . 4 1 1 A 55 55 ASP C C 55 179.313 178.543 0.770 1
1 676 . 4 1 1 A 55 55 ASP CA C 55 57.131 57.381 -0.250 1
1 677 . 4 1 1 A 55 55 ASP CB C 55 40.227 41.125 -0.898 1
1 678 . 4 1 1 A 55 55 ASP N N 55 119.156 119.466 -0.310 1
1 679 . 4 1 1 A 56 56 GLN H H 56 8.099 7.797 0.302 1
1 680 . 4 1 1 A 56 56 GLN HA H 56 3.781 3.802 -0.021 1
1 687 . 4 1 1 A 56 56 GLN C C 56 178.700 178.590 0.110 1
1 688 . 4 1 1 A 56 56 GLN CA C 56 57.487 58.669 -1.182 1
1 689 . 4 1 1 A 56 56 GLN CB C 56 27.430 27.866 -0.436 1
1 692 . 4 1 1 A 56 56 GLN N N 56 119.807 118.169 1.638 1
1 694 . 4 1 1 A 57 57 ARG H H 57 8.240 7.696 0.544 1
1 695 . 4 1 1 A 57 57 ARG HA H 57 3.898 3.983 -0.085 1
1 702 . 4 1 1 A 57 57 ARG C C 57 178.185 178.753 -0.568 1
1 703 . 4 1 1 A 57 57 ARG CA C 57 60.671 58.722 1.949 1
1 704 . 4 1 1 A 57 57 ARG CB C 57 31.221 29.802 1.419 1
1 707 . 4 1 1 A 57 57 ARG N N 57 120.129 118.571 1.558 1
1 708 . 4 1 1 A 58 58 ILE H H 58 7.885 8.245 -0.360 1
1 709 . 4 1 1 A 58 58 ILE HA H 58 3.978 3.771 0.207 1
1 719 . 4 1 1 A 58 58 ILE C C 58 178.357 178.447 -0.090 1
1 720 . 4 1 1 A 58 58 ILE CA C 58 61.684 65.251 -3.567 1
1 721 . 4 1 1 A 58 58 ILE CB C 58 34.538 37.724 -3.186 1
1 725 . 4 1 1 A 58 58 ILE N N 58 118.096 121.350 -3.254 1
1 726 . 4 1 1 A 59 59 SER H H 59 8.563 8.299 0.264 1
1 727 . 4 1 1 A 59 59 SER HA H 59 4.010 4.209 -0.199 1
1 728 . 4 1 1 A 59 59 SER C C 59 177.731 176.794 0.937 1
1 729 . 4 1 1 A 59 59 SER CA C 59 62.459 60.964 1.495 1
1 730 . 4 1 1 A 59 59 SER N N 59 117.208 116.292 0.916 1
1 731 . 4 1 1 A 60 60 GLN H H 60 8.471 7.884 0.587 1
1 732 . 4 1 1 A 60 60 GLN HA H 60 4.228 4.003 0.225 1
1 739 . 4 1 1 A 60 60 GLN C C 60 177.958 177.870 0.088 1
1 740 . 4 1 1 A 60 60 GLN CA C 60 58.233 58.462 -0.229 1
1 741 . 4 1 1 A 60 60 GLN CB C 60 27.288 28.728 -1.440 1
1 744 . 4 1 1 A 60 60 GLN N N 60 121.780 120.831 0.949 1
1 746 . 4 1 1 A 61 61 ALA H H 61 8.504 8.019 0.485 1
1 747 . 4 1 1 A 61 61 ALA HA H 61 3.947 3.924 0.023 1
1 751 . 4 1 1 A 61 61 ALA C C 61 179.360 179.500 -0.140 1
1 752 . 4 1 1 A 61 61 ALA CA C 61 55.413 55.342 0.071 1
1 753 . 4 1 1 A 61 61 ALA CB C 61 18.124 18.010 0.114 1
1 754 . 4 1 1 A 61 61 ALA N N 61 122.352 122.301 0.051 1
1 755 . 4 1 1 A 62 62 LYS H H 62 8.776 7.840 0.936 1
1 756 . 4 1 1 A 62 62 LYS HA H 62 3.722 4.122 -0.400 1
1 765 . 4 1 1 A 62 62 LYS C C 62 179.330 178.877 0.453 1
1 766 . 4 1 1 A 62 62 LYS CA C 62 60.632 59.230 1.402 1
1 767 . 4 1 1 A 62 62 LYS CB C 62 32.580 31.924 0.656 1
1 771 . 4 1 1 A 62 62 LYS N N 62 117.072 116.689 0.383 1
1 772 . 4 1 1 A 63 63 LEU H H 63 7.670 8.068 -0.398 1
1 773 . 4 1 1 A 63 63 LEU HA H 63 4.233 4.035 0.198 1
1 783 . 4 1 1 A 63 63 LEU C C 63 180.902 178.239 2.663 1
1 784 . 4 1 1 A 63 63 LEU CA C 63 58.446 58.292 0.154 1
1 785 . 4 1 1 A 63 63 LEU CB C 63 41.598 41.596 0.002 1
1 789 . 4 1 1 A 63 63 LEU N N 63 121.196 120.859 0.337 1
1 790 . 4 1 1 A 64 64 LEU H H 64 8.585 7.674 0.911 1
1 791 . 4 1 1 A 64 64 LEU HA H 64 4.088 3.995 0.093 1
1 801 . 4 1 1 A 64 64 LEU C C 64 180.869 178.730 2.139 1
1 802 . 4 1 1 A 64 64 LEU CA C 64 57.782 58.016 -0.234 1
1 803 . 4 1 1 A 64 64 LEU CB C 64 42.760 41.047 1.713 1
1 807 . 4 1 1 A 64 64 LEU N N 64 121.842 116.524 5.318 1
1 808 . 4 1 1 A 65 65 LEU H H 65 9.100 7.726 1.374 1
1 809 . 4 1 1 A 65 65 LEU HA H 65 4.346 4.239 0.107 1
1 819 . 4 1 1 A 65 65 LEU C C 65 178.659 178.695 -0.036 1
1 820 . 4 1 1 A 65 65 LEU CA C 65 57.408 57.571 -0.163 1
1 821 . 4 1 1 A 65 65 LEU CB C 65 43.013 41.226 1.787 1
1 825 . 4 1 1 A 65 65 LEU N N 65 119.872 121.967 -2.095 1
1 826 . 4 1 1 A 66 66 SER H H 66 8.303 7.811 0.492 1
1 827 . 4 1 1 A 66 66 SER HA H 66 4.211 4.218 -0.007 1
1 829 . 4 1 1 A 66 66 SER C C 66 176.580 176.249 0.331 1
1 830 . 4 1 1 A 66 66 SER CA C 66 60.155 60.941 -0.786 1
1 831 . 4 1 1 A 66 66 SER CB C 66 65.198 63.133 2.065 1
1 832 . 4 1 1 A 66 66 SER N N 66 110.490 114.880 -4.390 1
1 833 . 4 1 1 A 67 67 THR H H 67 7.901 7.733 0.168 1
1 834 . 4 1 1 A 67 67 THR HA H 67 4.812 4.407 0.405 1
1 839 . 4 1 1 A 67 67 THR C C 67 174.240 174.213 0.027 1
1 840 . 4 1 1 A 67 67 THR CA C 67 62.400 62.545 -0.145 1
1 841 . 4 1 1 A 67 67 THR CB C 67 71.512 69.366 2.146 1
1 843 . 4 1 1 A 67 67 THR N N 67 108.414 113.310 -4.896 1
1 844 . 4 1 1 A 68 68 THR H H 68 7.507 7.232 0.275 1
1 845 . 4 1 1 A 68 68 THR HA H 68 5.096 4.806 0.290 1
1 850 . 4 1 1 A 68 68 THR C C 68 174.263 174.095 0.168 1
1 851 . 4 1 1 A 68 68 THR CA C 68 60.124 59.497 0.627 1
1 852 . 4 1 1 A 68 68 THR CB C 68 72.795 72.034 0.761 1
1 854 . 4 1 1 A 68 68 THR N N 68 111.673 111.840 -0.167 1
1 855 . 4 1 1 A 69 69 ARG H H 69 8.767 8.378 0.389 1
1 856 . 4 1 1 A 69 69 ARG HA H 69 4.422 4.652 -0.230 1
1 863 . 4 1 1 A 69 69 ARG C C 69 176.568 176.550 0.018 1
1 864 . 4 1 1 A 69 69 ARG CA C 69 53.692 55.159 -1.467 1
1 865 . 4 1 1 A 69 69 ARG CB C 69 28.814 30.760 -1.946 1
1 868 . 4 1 1 A 69 69 ARG N N 69 118.034 119.131 -1.097 1
1 869 . 4 1 1 A 70 70 MET H H 70 7.996 7.543 0.453 1
1 870 . 4 1 1 A 70 70 MET HA H 70 4.470 4.494 -0.024 1
1 878 . 4 1 1 A 70 70 MET CA C 70 55.386 55.216 0.170 1
1 879 . 4 1 1 A 70 70 MET CB C 70 34.080 32.449 1.631 1
1 882 . 4 1 1 A 70 70 MET N N 70 122.491 121.190 1.301 1
1 883 . 4 1 1 A 71 71 PRO HA H 71 4.574 4.502 0.072 1
1 890 . 4 1 1 A 71 71 PRO C C 71 177.204 177.109 0.095 1
1 891 . 4 1 1 A 71 71 PRO CA C 71 62.915 62.401 0.514 1
1 892 . 4 1 1 A 71 71 PRO CB C 71 32.380 32.929 -0.549 1
1 895 . 4 1 1 A 72 72 ILE H H 72 8.782 8.369 0.413 1
1 896 . 4 1 1 A 72 72 ILE HA H 72 3.407 3.694 -0.287 1
1 906 . 4 1 1 A 72 72 ILE C C 72 177.760 178.099 -0.339 1
1 907 . 4 1 1 A 72 72 ILE CA C 72 65.627 64.493 1.134 1
1 908 . 4 1 1 A 72 72 ILE CB C 72 36.771 37.649 -0.878 1
1 912 . 4 1 1 A 72 72 ILE N N 72 124.417 122.338 2.079 1
1 913 . 4 1 1 A 73 73 ALA H H 73 9.109 8.156 0.953 1
1 914 . 4 1 1 A 73 73 ALA HA H 73 3.974 4.021 -0.047 1
1 918 . 4 1 1 A 73 73 ALA C C 73 180.248 179.640 0.608 1
1 919 . 4 1 1 A 73 73 ALA CA C 73 55.232 55.263 -0.031 1
1 920 . 4 1 1 A 73 73 ALA CB C 73 18.338 18.299 0.039 1
1 921 . 4 1 1 A 73 73 ALA N N 73 119.077 123.806 -4.729 1
1 922 . 4 1 1 A 74 74 THR H H 74 7.112 8.050 -0.938 1
1 923 . 4 1 1 A 74 74 THR HA H 74 3.875 3.887 -0.012 1
1 928 . 4 1 1 A 74 74 THR C C 74 175.761 176.256 -0.495 1
1 929 . 4 1 1 A 74 74 THR CA C 74 65.841 66.877 -1.036 1
1 930 . 4 1 1 A 74 74 THR CB C 74 68.248 68.271 -0.023 1
1 932 . 4 1 1 A 74 74 THR N N 74 114.866 114.958 -0.092 1
1 933 . 4 1 1 A 75 75 VAL H H 75 8.087 7.871 0.216 1
1 934 . 4 1 1 A 75 75 VAL HA H 75 3.305 3.448 -0.143 1
1 942 . 4 1 1 A 75 75 VAL C C 75 177.048 177.612 -0.564 1
1 943 . 4 1 1 A 75 75 VAL CA C 75 67.681 66.350 1.331 1
1 944 . 4 1 1 A 75 75 VAL CB C 75 30.831 31.099 -0.268 1
1 947 . 4 1 1 A 75 75 VAL N N 75 123.901 121.283 2.618 1
1 948 . 4 1 1 A 76 76 GLY H H 76 7.673 7.902 -0.229 1
1 949 . 4 1 1 A 76 76 GLY HA2 H 76 2.235 3.278 -1.043 1
1 950 . 4 1 1 A 76 76 GLY HA3 H 76 3.003 3.592 -0.589 1
1 951 . 4 1 1 A 76 76 GLY C C 76 176.562 175.626 0.936 1
1 952 . 4 1 1 A 76 76 GLY CA C 76 46.293 46.924 -0.631 1
1 953 . 4 1 1 A 76 76 GLY N N 76 102.438 106.960 -4.522 1
1 954 . 4 1 1 A 77 77 ARG H H 77 7.760 7.619 0.141 1
1 955 . 4 1 1 A 77 77 ARG HA H 77 3.982 4.024 -0.042 1
1 962 . 4 1 1 A 77 77 ARG C C 77 180.332 178.825 1.507 1
1 963 . 4 1 1 A 77 77 ARG CA C 77 59.550 59.260 0.290 1
1 964 . 4 1 1 A 77 77 ARG CB C 77 30.085 29.998 0.087 1
1 967 . 4 1 1 A 77 77 ARG N N 77 122.228 121.741 0.487 1
1 968 . 4 1 1 A 78 78 ASN H H 78 8.230 7.725 0.505 1
1 969 . 4 1 1 A 78 78 ASN HA H 78 4.397 4.486 -0.089 1
1 974 . 4 1 1 A 78 78 ASN C C 78 176.105 176.912 -0.807 1
1 975 . 4 1 1 A 78 78 ASN CA C 78 55.615 55.790 -0.175 1
1 976 . 4 1 1 A 78 78 ASN CB C 78 38.806 38.743 0.063 1
1 978 . 4 1 1 A 78 78 ASN N N 78 119.139 117.093 2.046 1
1 980 . 4 1 1 A 79 79 VAL H H 79 7.323 7.252 0.071 1
1 981 . 4 1 1 A 79 79 VAL HA H 79 4.438 4.409 0.029 1
1 989 . 4 1 1 A 79 79 VAL C C 79 174.220 175.849 -1.629 1
1 990 . 4 1 1 A 79 79 VAL CA C 79 59.911 60.642 -0.731 1
1 991 . 4 1 1 A 79 79 VAL CB C 79 31.400 31.063 0.337 1
1 994 . 4 1 1 A 79 79 VAL N N 79 108.664 110.952 -2.288 1
1 995 . 4 1 1 A 80 80 GLY H H 80 7.286 7.840 -0.554 1
1 996 . 4 1 1 A 80 80 GLY HA2 H 80 3.540 3.976 -0.436 1
1 997 . 4 1 1 A 80 80 GLY HA3 H 80 4.023 4.019 0.004 1
1 998 . 4 1 1 A 80 80 GLY C C 80 174.383 174.818 -0.435 1
1 999 . 4 1 1 A 80 80 GLY CA C 80 45.739 46.023 -0.284 1
1 1000 . 4 1 1 A 80 80 GLY N N 80 104.635 110.127 -5.492 1
1 1001 . 4 1 1 A 81 81 PHE H H 81 8.535 8.270 0.265 1
1 1002 . 4 1 1 A 81 81 PHE HA H 81 4.845 4.515 0.330 1
1 1010 . 4 1 1 A 81 81 PHE C C 81 174.570 175.698 -1.128 1
1 1011 . 4 1 1 A 81 81 PHE CA C 81 56.375 58.885 -2.510 1
1 1012 . 4 1 1 A 81 81 PHE CB C 81 39.941 38.654 1.287 1
1 1018 . 4 1 1 A 81 81 PHE N N 81 119.772 119.537 0.235 1
1 1019 . 4 1 1 A 82 82 ASP H H 82 8.564 8.968 -0.404 1
1 1020 . 4 1 1 A 82 82 ASP HA H 82 4.491 4.628 -0.137 1
1 1023 . 4 1 1 A 82 82 ASP C C 82 175.170 175.134 0.036 1
1 1024 . 4 1 1 A 82 82 ASP CA C 82 55.195 55.404 -0.209 1
1 1025 . 4 1 1 A 82 82 ASP CB C 82 41.010 41.551 -0.541 1
1 1026 . 4 1 1 A 82 82 ASP N N 82 123.028 123.554 -0.526 1
1 1027 . 4 1 1 A 83 83 ASP H H 83 7.789 7.794 -0.005 1
1 1028 . 4 1 1 A 83 83 ASP HA H 83 4.947 4.815 0.132 1
1 1031 . 4 1 1 A 83 83 ASP C C 83 176.347 176.201 0.146 1
1 1032 . 4 1 1 A 83 83 ASP CA C 83 52.690 53.678 -0.988 1
1 1033 . 4 1 1 A 83 83 ASP CB C 83 43.152 42.413 0.739 1
1 1034 . 4 1 1 A 83 83 ASP N N 83 118.576 119.572 -0.996 1
1 1035 . 4 1 1 A 84 84 GLN H H 84 9.104 8.930 0.174 1
1 1036 . 4 1 1 A 84 84 GLN HA H 84 4.333 3.980 0.353 1
1 1043 . 4 1 1 A 84 84 GLN C C 84 177.986 177.676 0.310 1
1 1044 . 4 1 1 A 84 84 GLN CA C 84 58.909 58.958 -0.049 1
1 1045 . 4 1 1 A 84 84 GLN CB C 84 28.267 28.347 -0.080 1
1 1048 . 4 1 1 A 84 84 GLN N N 84 126.543 127.118 -0.575 1
1 1050 . 4 1 1 A 85 85 LEU H H 85 8.419 7.979 0.440 1
1 1051 . 4 1 1 A 85 85 LEU HA H 85 4.210 4.147 0.063 1
1 1061 . 4 1 1 A 85 85 LEU C C 85 179.472 179.020 0.452 1
1 1062 . 4 1 1 A 85 85 LEU CA C 85 57.958 57.773 0.185 1
1 1063 . 4 1 1 A 85 85 LEU CB C 85 40.678 41.654 -0.976 1
1 1067 . 4 1 1 A 85 85 LEU N N 85 123.486 119.791 3.695 1
1 1068 . 4 1 1 A 86 86 TYR H H 86 8.042 8.517 -0.475 1
1 1069 . 4 1 1 A 86 86 TYR HA H 86 4.288 4.170 0.118 1
1 1076 . 4 1 1 A 86 86 TYR C C 86 177.195 177.595 -0.400 1
1 1077 . 4 1 1 A 86 86 TYR CA C 86 60.367 61.772 -1.405 1
1 1078 . 4 1 1 A 86 86 TYR CB C 86 38.184 38.404 -0.220 1
1 1083 . 4 1 1 A 86 86 TYR N N 86 122.679 120.053 2.626 1
1 1084 . 4 1 1 A 87 87 PHE H H 87 8.219 8.213 0.006 1
1 1085 . 4 1 1 A 87 87 PHE HA H 87 3.261 4.083 -0.822 1
1 1093 . 4 1 1 A 87 87 PHE C C 87 175.875 177.256 -1.381 1
1 1094 . 4 1 1 A 87 87 PHE CA C 87 58.536 62.224 -3.688 1
1 1095 . 4 1 1 A 87 87 PHE CB C 87 38.124 39.347 -1.223 1
1 1101 . 4 1 1 A 87 87 PHE N N 87 116.536 120.970 -4.434 1
1 1102 . 4 1 1 A 88 88 SER H H 88 8.082 7.990 0.092 1
1 1103 . 4 1 1 A 88 88 SER HA H 88 3.951 4.124 -0.173 1
1 1105 . 4 1 1 A 88 88 SER C C 88 175.926 176.658 -0.732 1
1 1106 . 4 1 1 A 88 88 SER CA C 88 62.398 61.679 0.719 1
1 1107 . 4 1 1 A 88 88 SER N N 88 112.937 115.717 -2.780 1
1 1108 . 4 1 1 A 89 89 ARG H H 89 7.843 8.212 -0.369 1
1 1109 . 4 1 1 A 89 89 ARG HA H 89 3.975 4.132 -0.157 1
1 1116 . 4 1 1 A 89 89 ARG C C 89 179.414 178.892 0.522 1
1 1117 . 4 1 1 A 89 89 ARG CA C 89 59.452 59.261 0.191 1
1 1118 . 4 1 1 A 89 89 ARG CB C 89 30.242 30.123 0.119 1
1 1121 . 4 1 1 A 89 89 ARG N N 89 121.621 122.160 -0.539 1
1 1122 . 4 1 1 A 90 90 VAL H H 90 8.235 7.889 0.346 1
1 1123 . 4 1 1 A 90 90 VAL HA H 90 3.530 3.566 -0.036 1
1 1131 . 4 1 1 A 90 90 VAL C C 90 177.752 177.994 -0.242 1
1 1132 . 4 1 1 A 90 90 VAL CA C 90 66.208 66.235 -0.027 1
1 1133 . 4 1 1 A 90 90 VAL CB C 90 31.649 31.849 -0.200 1
1 1136 . 4 1 1 A 90 90 VAL N N 90 122.095 119.928 2.167 1
1 1137 . 4 1 1 A 91 91 PHE H H 91 8.763 8.583 0.180 1
1 1138 . 4 1 1 A 91 91 PHE HA H 91 3.584 3.840 -0.256 1
1 1141 . 4 1 1 A 91 91 PHE C C 91 178.386 177.329 1.057 1
1 1142 . 4 1 1 A 91 91 PHE CA C 91 62.523 60.397 2.126 1
1 1143 . 4 1 1 A 91 91 PHE CB C 91 39.528 38.294 1.234 1
1 1144 . 4 1 1 A 91 91 PHE N N 91 121.769 120.022 1.747 1
1 1145 . 4 1 1 A 92 92 LYS H H 92 8.237 8.419 -0.182 1
1 1146 . 4 1 1 A 92 92 LYS HA H 92 4.217 4.228 -0.011 1
1 1153 . 4 1 1 A 92 92 LYS C C 92 179.621 179.328 0.293 1
1 1154 . 4 1 1 A 92 92 LYS CA C 92 58.597 60.041 -1.444 1
1 1155 . 4 1 1 A 92 92 LYS CB C 92 32.290 32.627 -0.337 1
1 1159 . 4 1 1 A 92 92 LYS N N 92 121.441 118.243 3.198 1
1 1160 . 4 1 1 A 93 93 LYS H H 93 8.013 7.594 0.419 1
1 1161 . 4 1 1 A 93 93 LYS HA H 93 3.956 4.051 -0.095 1
1 1169 . 4 1 1 A 93 93 LYS C C 93 178.611 179.219 -0.608 1
1 1170 . 4 1 1 A 93 93 LYS CA C 93 59.356 58.972 0.384 1
1 1171 . 4 1 1 A 93 93 LYS CB C 93 31.785 31.716 0.069 1
1 1175 . 4 1 1 A 93 93 LYS N N 93 122.286 118.233 4.053 1
1 1176 . 4 1 1 A 94 94 CYS H H 94 7.818 7.834 -0.016 1
1 1177 . 4 1 1 A 94 94 CYS HA H 94 4.224 4.043 0.181 1
1 1180 . 4 1 1 A 94 94 CYS C C 94 176.440 176.203 0.237 1
1 1181 . 4 1 1 A 94 94 CYS CA C 94 62.517 62.618 -0.101 1
1 1182 . 4 1 1 A 94 94 CYS CB C 94 28.104 27.113 0.991 1
1 1183 . 4 1 1 A 94 94 CYS N N 94 113.581 118.770 -5.189 1
1 1184 . 4 1 1 A 95 95 THR H H 95 8.038 7.156 0.882 1
1 1185 . 4 1 1 A 95 95 THR HA H 95 4.397 4.293 0.104 1
1 1190 . 4 1 1 A 95 95 THR C C 95 176.237 175.773 0.464 1
1 1191 . 4 1 1 A 95 95 THR CA C 95 62.507 61.628 0.879 1
1 1192 . 4 1 1 A 95 95 THR CB C 95 71.481 70.276 1.205 1
1 1194 . 4 1 1 A 95 95 THR N N 95 106.903 108.333 -1.430 1
1 1195 . 4 1 1 A 96 96 GLY H H 96 8.526 8.851 -0.325 1
1 1196 . 4 1 1 A 96 96 GLY HA2 H 96 3.724 3.813 -0.089 1
1 1197 . 4 1 1 A 96 96 GLY HA3 H 96 4.374 3.815 0.559 1
1 1198 . 4 1 1 A 96 96 GLY C C 96 172.550 173.301 -0.751 1
1 1199 . 4 1 1 A 96 96 GLY CA C 96 45.264 45.244 0.020 1
1 1200 . 4 1 1 A 96 96 GLY N N 96 112.762 111.485 1.277 1
1 1201 . 4 1 1 A 97 97 ALA H H 97 8.560 6.911 1.649 1
1 1202 . 4 1 1 A 97 97 ALA HA H 97 4.841 4.786 0.055 1
1 1206 . 4 1 1 A 97 97 ALA C C 97 175.280 176.137 -0.857 1
1 1207 . 4 1 1 A 97 97 ALA CA C 97 50.176 51.012 -0.836 1
1 1208 . 4 1 1 A 97 97 ALA CB C 97 22.551 22.719 -0.168 1
1 1209 . 4 1 1 A 97 97 ALA N N 97 125.656 120.833 4.823 1
1 1210 . 4 1 1 A 98 98 SER H H 98 8.817 8.703 0.114 1
1 1211 . 4 1 1 A 98 98 SER HA H 98 4.656 4.806 -0.150 1
1 1212 . 4 1 1 A 98 98 SER CA C 98 56.612 56.839 -0.227 1
1 1213 . 4 1 1 A 98 98 SER N N 98 114.919 115.043 -0.124 1
1 1214 . 4 1 1 A 99 99 PRO HA H 99 3.500 4.551 -1.051 1
1 1220 . 4 1 1 A 99 99 PRO C C 99 177.585 178.479 -0.894 1
1 1221 . 4 1 1 A 99 99 PRO CA C 99 66.202 64.646 1.556 1
1 1222 . 4 1 1 A 99 99 PRO CB C 99 32.030 31.923 0.107 1
1 1225 . 4 1 1 A 100 100 SER H H 100 8.254 8.463 -0.209 1
1 1226 . 4 1 1 A 100 100 SER HA H 100 4.029 4.227 -0.198 1
1 1227 . 4 1 1 A 100 100 SER C C 100 177.441 176.354 1.087 1
1 1228 . 4 1 1 A 100 100 SER CA C 100 61.891 61.503 0.388 1
1 1229 . 4 1 1 A 100 100 SER N N 100 111.230 114.475 -3.245 1
1 1230 . 4 1 1 A 101 101 GLU H H 101 7.848 7.989 -0.141 1
1 1231 . 4 1 1 A 101 101 GLU HA H 101 4.021 4.096 -0.075 1
1 1236 . 4 1 1 A 101 101 GLU C C 101 179.288 178.747 0.541 1
1 1237 . 4 1 1 A 101 101 GLU CA C 101 58.822 59.397 -0.575 1
1 1238 . 4 1 1 A 101 101 GLU CB C 101 29.846 29.705 0.141 1
1 1240 . 4 1 1 A 101 101 GLU N N 101 125.150 121.889 3.261 1
1 1241 . 4 1 1 A 102 102 PHE H H 102 8.923 8.096 0.827 1
1 1242 . 4 1 1 A 102 102 PHE HA H 102 4.155 4.142 0.013 1
1 1245 . 4 1 1 A 102 102 PHE C C 102 178.343 177.780 0.563 1
1 1246 . 4 1 1 A 102 102 PHE CA C 102 61.315 61.607 -0.292 1
1 1247 . 4 1 1 A 102 102 PHE CB C 102 40.083 39.602 0.481 1
1 1248 . 4 1 1 A 102 102 PHE N N 102 121.281 120.812 0.469 1
1 1249 . 4 1 1 A 103 103 ARG H H 103 8.210 8.381 -0.171 1
1 1250 . 4 1 1 A 103 103 ARG HA H 103 3.830 3.991 -0.161 1
1 1257 . 4 1 1 A 103 103 ARG C C 103 177.602 178.047 -0.445 1
1 1258 . 4 1 1 A 103 103 ARG CA C 103 59.235 59.412 -0.177 1
1 1261 . 4 1 1 A 103 103 ARG N N 103 119.223 118.798 0.425 1
1 1262 . 4 1 1 A 104 104 ALA H H 104 7.905 7.171 0.734 1
1 1263 . 4 1 1 A 104 104 ALA HA H 104 4.186 4.256 -0.070 1
1 1267 . 4 1 1 A 104 104 ALA C C 104 179.126 178.157 0.969 1
1 1268 . 4 1 1 A 104 104 ALA CA C 104 54.188 52.646 1.542 1
1 1269 . 4 1 1 A 104 104 ALA CB C 104 18.254 19.762 -1.508 1
1 1270 . 4 1 1 A 104 104 ALA N N 104 120.546 118.934 1.612 1
1 1271 . 4 1 1 A 105 105 GLY H H 105 7.676 8.127 -0.451 1
1 1272 . 4 1 1 A 105 105 GLY HA2 H 105 3.849 3.852 -0.003 1
1 1273 . 4 1 1 A 105 105 GLY HA3 H 105 4.052 3.877 0.175 1
1 1274 . 4 1 1 A 105 105 GLY C C 105 174.515 174.476 0.039 1
1 1275 . 4 1 1 A 105 105 GLY CA C 105 45.317 45.486 -0.169 1
1 1276 . 4 1 1 A 105 105 GLY N N 105 104.677 107.048 -2.371 1
1 1277 . 4 1 1 A 106 106 CYS H H 106 7.599 8.040 -0.441 1
1 1278 . 4 1 1 A 106 106 CYS HA H 106 4.447 4.463 -0.016 1
1 1281 . 4 1 1 A 106 106 CYS C C 106 173.823 175.186 -1.363 1
1 1282 . 4 1 1 A 106 106 CYS CA C 106 59.123 59.531 -0.408 1
1 1283 . 4 1 1 A 106 106 CYS CB C 106 28.004 28.415 -0.411 1
1 1284 . 4 1 1 A 106 106 CYS N N 106 118.321 120.121 -1.800 1
1 14 . 5 1 1 A 2 2 ASP H H 2 8.989 8.690 0.299 1
1 15 . 5 1 1 A 2 2 ASP HA H 2 4.662 4.632 0.030 1
1 18 . 5 1 1 A 2 2 ASP C C 2 177.024 177.572 -0.548 1
1 19 . 5 1 1 A 2 2 ASP CA C 2 54.092 54.201 -0.109 1
1 20 . 5 1 1 A 2 2 ASP CB C 2 42.743 41.347 1.396 1
1 21 . 5 1 1 A 2 2 ASP N N 2 126.287 124.034 2.253 1
1 22 . 5 1 1 A 3 3 ASN H H 3 9.165 8.790 0.375 1
1 23 . 5 1 1 A 3 3 ASN HA H 3 4.446 4.340 0.106 1
1 28 . 5 1 1 A 3 3 ASN C C 3 177.306 177.311 -0.005 1
1 29 . 5 1 1 A 3 3 ASN CA C 3 56.355 56.985 -0.630 1
1 30 . 5 1 1 A 3 3 ASN CB C 3 38.382 38.020 0.362 1
1 32 . 5 1 1 A 3 3 ASN N N 3 124.055 120.813 3.242 1
1 34 . 5 1 1 A 4 4 ARG H H 4 9.092 7.881 1.211 1
1 35 . 5 1 1 A 4 4 ARG HA H 4 4.183 4.021 0.162 1
1 42 . 5 1 1 A 4 4 ARG C C 4 178.824 178.291 0.533 1
1 43 . 5 1 1 A 4 4 ARG CA C 4 59.401 59.549 -0.148 1
1 44 . 5 1 1 A 4 4 ARG CB C 4 29.437 30.595 -1.158 1
1 47 . 5 1 1 A 4 4 ARG N N 4 119.970 119.612 0.358 1
1 48 . 5 1 1 A 5 5 VAL H H 5 7.588 8.232 -0.644 1
1 49 . 5 1 1 A 5 5 VAL HA H 5 3.458 3.634 -0.176 1
1 57 . 5 1 1 A 5 5 VAL C C 5 177.573 178.021 -0.448 1
1 58 . 5 1 1 A 5 5 VAL CA C 5 66.543 66.794 -0.251 1
1 59 . 5 1 1 A 5 5 VAL CB C 5 31.294 31.164 0.130 1
1 62 . 5 1 1 A 5 5 VAL N N 5 119.312 119.634 -0.322 1
1 63 . 5 1 1 A 6 6 ARG H H 6 7.920 8.281 -0.361 1
1 64 . 5 1 1 A 6 6 ARG HA H 6 3.860 3.933 -0.073 1
1 71 . 5 1 1 A 6 6 ARG C C 6 179.380 178.888 0.492 1
1 72 . 5 1 1 A 6 6 ARG CA C 6 60.197 59.456 0.741 1
1 73 . 5 1 1 A 6 6 ARG CB C 6 29.818 29.732 0.086 1
1 76 . 5 1 1 A 6 6 ARG N N 6 120.863 119.604 1.259 1
1 77 . 5 1 1 A 7 7 GLU H H 7 8.262 8.245 0.017 1
1 78 . 5 1 1 A 7 7 GLU HA H 7 4.241 4.138 0.103 1
1 83 . 5 1 1 A 7 7 GLU C C 7 179.131 178.932 0.199 1
1 84 . 5 1 1 A 7 7 GLU CA C 7 58.770 59.264 -0.494 1
1 85 . 5 1 1 A 7 7 GLU CB C 7 28.883 29.767 -0.884 1
1 87 . 5 1 1 A 7 7 GLU N N 7 119.166 119.300 -0.134 1
1 88 . 5 1 1 A 8 8 ALA H H 8 8.421 7.951 0.470 1
1 89 . 5 1 1 A 8 8 ALA HA H 8 4.046 4.414 -0.368 1
1 93 . 5 1 1 A 8 8 ALA C C 8 179.202 180.598 -1.396 1
1 94 . 5 1 1 A 8 8 ALA CA C 8 55.610 55.306 0.304 1
1 95 . 5 1 1 A 8 8 ALA CB C 8 18.512 18.645 -0.133 1
1 96 . 5 1 1 A 8 8 ALA N N 8 123.947 122.864 1.083 1
1 97 . 5 1 1 A 9 9 CYS H H 9 8.490 7.940 0.550 1
1 98 . 5 1 1 A 9 9 CYS HA H 9 3.767 4.508 -0.741 1
1 101 . 5 1 1 A 9 9 CYS C C 9 176.858 177.499 -0.641 1
1 102 . 5 1 1 A 9 9 CYS CA C 9 64.480 63.409 1.071 1
1 103 . 5 1 1 A 9 9 CYS CB C 9 26.690 27.638 -0.948 1
1 104 . 5 1 1 A 9 9 CYS N N 9 116.232 116.568 -0.336 1
1 105 . 5 1 1 A 10 10 GLN H H 10 8.088 8.197 -0.109 1
1 106 . 5 1 1 A 10 10 GLN HA H 10 4.022 4.219 -0.197 1
1 113 . 5 1 1 A 10 10 GLN C C 10 177.140 178.270 -1.130 1
1 114 . 5 1 1 A 10 10 GLN CA C 10 58.804 58.785 0.019 1
1 115 . 5 1 1 A 10 10 GLN CB C 10 28.299 28.538 -0.239 1
1 118 . 5 1 1 A 10 10 GLN N N 10 120.817 121.267 -0.450 1
1 120 . 5 1 1 A 11 11 TYR H H 11 8.367 7.848 0.519 1
1 121 . 5 1 1 A 11 11 TYR HA H 11 4.308 4.136 0.172 1
1 128 . 5 1 1 A 11 11 TYR C C 11 178.986 177.078 1.908 1
1 129 . 5 1 1 A 11 11 TYR CA C 11 61.850 61.455 0.395 1
1 130 . 5 1 1 A 11 11 TYR CB C 11 38.653 38.476 0.177 1
1 135 . 5 1 1 A 11 11 TYR N N 11 120.419 121.307 -0.888 1
1 136 . 5 1 1 A 12 12 ILE H H 12 8.886 8.440 0.446 1
1 137 . 5 1 1 A 12 12 ILE HA H 12 3.700 3.610 0.090 1
1 147 . 5 1 1 A 12 12 ILE C C 12 179.352 178.023 1.329 1
1 148 . 5 1 1 A 12 12 ILE CA C 12 65.621 65.165 0.456 1
1 149 . 5 1 1 A 12 12 ILE CB C 12 38.203 38.179 0.024 1
1 153 . 5 1 1 A 12 12 ILE N N 12 119.720 121.600 -1.880 1
1 154 . 5 1 1 A 13 13 SER H H 13 8.740 8.491 0.249 1
1 155 . 5 1 1 A 13 13 SER HA H 13 4.753 4.129 0.624 1
1 158 . 5 1 1 A 13 13 SER C C 13 176.355 177.183 -0.828 1
1 159 . 5 1 1 A 13 13 SER CA C 13 62.551 61.424 1.127 1
1 160 . 5 1 1 A 13 13 SER CB C 13 62.468 62.291 0.177 1
1 161 . 5 1 1 A 13 13 SER N N 13 116.217 115.621 0.596 1
1 162 . 5 1 1 A 14 14 ASP H H 14 8.426 8.159 0.267 1
1 163 . 5 1 1 A 14 14 ASP HA H 14 4.438 4.509 -0.071 1
1 166 . 5 1 1 A 14 14 ASP C C 14 176.838 177.867 -1.029 1
1 167 . 5 1 1 A 14 14 ASP CA C 14 55.988 57.091 -1.103 1
1 168 . 5 1 1 A 14 14 ASP CB C 14 40.500 40.655 -0.155 1
1 169 . 5 1 1 A 14 14 ASP N N 14 121.201 122.313 -1.112 1
1 170 . 5 1 1 A 15 15 HIS H H 15 7.530 7.444 0.086 1
1 171 . 5 1 1 A 15 15 HIS HA H 15 4.661 4.803 -0.142 1
1 176 . 5 1 1 A 15 15 HIS C C 15 175.451 175.583 -0.132 1
1 177 . 5 1 1 A 15 15 HIS CA C 15 55.320 55.633 -0.313 1
1 178 . 5 1 1 A 15 15 HIS CB C 15 28.275 29.124 -0.849 1
1 181 . 5 1 1 A 15 15 HIS N N 15 116.777 115.654 1.123 1
1 182 . 5 1 1 A 16 16 LEU H H 16 7.271 7.493 -0.222 1
1 183 . 5 1 1 A 16 16 LEU HA H 16 3.812 3.857 -0.045 1
1 193 . 5 1 1 A 16 16 LEU C C 16 176.627 178.236 -1.609 1
1 194 . 5 1 1 A 16 16 LEU CA C 16 58.076 57.684 0.392 1
1 195 . 5 1 1 A 16 16 LEU CB C 16 42.531 41.327 1.204 1
1 199 . 5 1 1 A 16 16 LEU N N 16 122.531 122.477 0.054 1
1 200 . 5 1 1 A 17 17 ALA H H 17 8.243 7.285 0.958 1
1 201 . 5 1 1 A 17 17 ALA HA H 17 3.937 4.342 -0.405 1
1 205 . 5 1 1 A 17 17 ALA C C 17 177.131 177.015 0.116 1
1 206 . 5 1 1 A 17 17 ALA CA C 17 51.802 51.885 -0.083 1
1 207 . 5 1 1 A 17 17 ALA CB C 17 18.473 20.085 -1.612 1
1 208 . 5 1 1 A 17 17 ALA N N 17 116.354 119.590 -3.236 1
1 209 . 5 1 1 A 18 18 ASP H H 18 7.488 7.567 -0.079 1
1 210 . 5 1 1 A 18 18 ASP HA H 18 4.455 4.510 -0.055 1
1 213 . 5 1 1 A 18 18 ASP C C 18 177.370 175.923 1.447 1
1 214 . 5 1 1 A 18 18 ASP CA C 18 54.571 54.585 -0.014 1
1 215 . 5 1 1 A 18 18 ASP CB C 18 40.521 40.917 -0.396 1
1 216 . 5 1 1 A 18 18 ASP N N 18 119.230 119.026 0.204 1
1 217 . 5 1 1 A 19 19 SER H H 19 8.793 8.786 0.007 1
1 218 . 5 1 1 A 19 19 SER HA H 19 4.424 4.454 -0.030 1
1 221 . 5 1 1 A 19 19 SER C C 19 174.779 174.392 0.387 1
1 222 . 5 1 1 A 19 19 SER CA C 19 59.706 61.112 -1.406 1
1 223 . 5 1 1 A 19 19 SER CB C 19 63.351 63.423 -0.072 1
1 224 . 5 1 1 A 19 19 SER N N 19 119.892 118.392 1.500 1
1 225 . 5 1 1 A 20 20 ASN H H 20 8.520 8.044 0.476 1
1 226 . 5 1 1 A 20 20 ASN HA H 20 4.869 4.944 -0.075 1
1 231 . 5 1 1 A 20 20 ASN C C 20 173.838 174.516 -0.678 1
1 232 . 5 1 1 A 20 20 ASN CA C 20 52.586 53.506 -0.920 1
1 233 . 5 1 1 A 20 20 ASN CB C 20 38.799 38.668 0.131 1
1 235 . 5 1 1 A 20 20 ASN N N 20 119.769 118.874 0.895 1
1 237 . 5 1 1 A 21 21 PHE H H 21 8.082 9.065 -0.983 1
1 238 . 5 1 1 A 21 21 PHE HA H 21 4.397 5.361 -0.964 1
1 246 . 5 1 1 A 21 21 PHE C C 21 173.520 173.297 0.223 1
1 247 . 5 1 1 A 21 21 PHE CA C 21 58.672 56.116 2.556 1
1 248 . 5 1 1 A 21 21 PHE CB C 21 40.704 41.940 -1.236 1
1 254 . 5 1 1 A 21 21 PHE N N 21 121.875 125.943 -4.068 1
1 255 . 5 1 1 A 22 22 ASP H H 22 7.570 8.577 -1.007 1
1 256 . 5 1 1 A 22 22 ASP HA H 22 4.563 4.876 -0.313 1
1 259 . 5 1 1 A 22 22 ASP C C 22 175.674 176.009 -0.335 1
1 260 . 5 1 1 A 22 22 ASP CA C 22 52.049 52.324 -0.275 1
1 261 . 5 1 1 A 22 22 ASP CB C 22 43.023 42.264 0.759 1
1 262 . 5 1 1 A 22 22 ASP N N 22 126.780 128.183 -1.403 1
1 263 . 5 1 1 A 23 23 ILE H H 23 8.720 8.519 0.201 1
1 264 . 5 1 1 A 23 23 ILE HA H 23 3.555 3.653 -0.098 1
1 274 . 5 1 1 A 23 23 ILE C C 23 176.441 177.334 -0.893 1
1 275 . 5 1 1 A 23 23 ILE CA C 23 63.650 63.505 0.145 1
1 276 . 5 1 1 A 23 23 ILE CB C 23 37.741 37.943 -0.202 1
1 280 . 5 1 1 A 23 23 ILE N N 23 124.815 127.138 -2.323 1
1 281 . 5 1 1 A 24 24 ALA H H 24 8.543 8.084 0.459 1
1 282 . 5 1 1 A 24 24 ALA HA H 24 3.917 3.973 -0.056 1
1 286 . 5 1 1 A 24 24 ALA C C 24 180.227 179.690 0.537 1
1 287 . 5 1 1 A 24 24 ALA CA C 24 55.413 55.396 0.017 1
1 288 . 5 1 1 A 24 24 ALA CB C 24 17.760 18.146 -0.386 1
1 289 . 5 1 1 A 24 24 ALA N N 24 123.943 124.301 -0.358 1
1 290 . 5 1 1 A 25 25 SER H H 25 7.844 7.858 -0.014 1
1 291 . 5 1 1 A 25 25 SER HA H 25 4.246 4.052 0.194 1
1 293 . 5 1 1 A 25 25 SER C C 25 176.667 177.325 -0.658 1
1 294 . 5 1 1 A 25 25 SER CA C 25 61.238 61.226 0.012 1
1 295 . 5 1 1 A 25 25 SER CB C 25 62.402 62.700 -0.298 1
1 296 . 5 1 1 A 25 25 SER N N 25 114.143 113.436 0.707 1
1 297 . 5 1 1 A 26 26 VAL H H 26 7.086 7.919 -0.833 1
1 298 . 5 1 1 A 26 26 VAL HA H 26 3.198 3.545 -0.347 1
1 306 . 5 1 1 A 26 26 VAL C C 26 176.670 178.308 -1.638 1
1 307 . 5 1 1 A 26 26 VAL CA C 26 64.809 66.647 -1.838 1
1 308 . 5 1 1 A 26 26 VAL CB C 26 31.274 31.521 -0.247 1
1 311 . 5 1 1 A 26 26 VAL N N 26 122.369 122.782 -0.413 1
1 312 . 5 1 1 A 27 27 ALA H H 27 8.043 7.828 0.215 1
1 313 . 5 1 1 A 27 27 ALA HA H 27 3.775 3.943 -0.168 1
1 317 . 5 1 1 A 27 27 ALA C C 27 178.948 179.828 -0.880 1
1 318 . 5 1 1 A 27 27 ALA CA C 27 55.507 55.355 0.152 1
1 319 . 5 1 1 A 27 27 ALA CB C 27 17.412 18.136 -0.724 1
1 320 . 5 1 1 A 27 27 ALA N N 27 122.045 121.835 0.210 1
1 321 . 5 1 1 A 28 28 GLN H H 28 8.089 7.959 0.130 1
1 322 . 5 1 1 A 28 28 GLN HA H 28 4.053 4.035 0.018 1
1 329 . 5 1 1 A 28 28 GLN C C 28 179.289 178.478 0.811 1
1 330 . 5 1 1 A 28 28 GLN CA C 28 58.625 58.783 -0.158 1
1 331 . 5 1 1 A 28 28 GLN CB C 28 28.155 28.153 0.002 1
1 334 . 5 1 1 A 28 28 GLN N N 28 116.168 118.090 -1.922 1
1 336 . 5 1 1 A 29 29 HIS H H 29 7.454 7.916 -0.462 1
1 337 . 5 1 1 A 29 29 HIS HA H 29 4.209 4.062 0.147 1
1 342 . 5 1 1 A 29 29 HIS C C 29 175.895 176.996 -1.101 1
1 343 . 5 1 1 A 29 29 HIS CA C 29 59.132 59.313 -0.181 1
1 344 . 5 1 1 A 29 29 HIS CB C 29 28.947 29.524 -0.577 1
1 347 . 5 1 1 A 29 29 HIS N N 29 118.117 120.137 -2.020 1
1 348 . 5 1 1 A 30 30 VAL H H 30 7.309 6.848 0.461 1
1 349 . 5 1 1 A 30 30 VAL HA H 30 4.441 3.950 0.491 1
1 357 . 5 1 1 A 30 30 VAL C C 30 173.598 174.457 -0.859 1
1 358 . 5 1 1 A 30 30 VAL CA C 30 59.948 60.823 -0.875 1
1 359 . 5 1 1 A 30 30 VAL CB C 30 31.067 31.251 -0.184 1
1 362 . 5 1 1 A 30 30 VAL N N 30 106.791 110.089 -3.298 1
1 363 . 5 1 1 A 31 31 CYS H H 31 7.837 7.872 -0.035 1
1 364 . 5 1 1 A 31 31 CYS HA H 31 3.929 4.095 -0.166 1
1 367 . 5 1 1 A 31 31 CYS C C 31 173.679 173.393 0.286 1
1 368 . 5 1 1 A 31 31 CYS CA C 31 59.814 60.413 -0.599 1
1 369 . 5 1 1 A 31 31 CYS CB C 31 24.898 25.989 -1.091 1
1 370 . 5 1 1 A 31 31 CYS N N 31 116.363 117.429 -1.066 1
1 371 . 5 1 1 A 32 32 LEU H H 32 8.061 7.599 0.462 1
1 372 . 5 1 1 A 32 32 LEU HA H 32 4.871 4.801 0.070 1
1 382 . 5 1 1 A 32 32 LEU C C 32 176.243 175.904 0.339 1
1 383 . 5 1 1 A 32 32 LEU CA C 32 52.555 53.236 -0.681 1
1 384 . 5 1 1 A 32 32 LEU CB C 32 48.238 46.155 2.083 1
1 388 . 5 1 1 A 32 32 LEU N N 32 118.159 120.847 -2.688 1
1 389 . 5 1 1 A 33 33 SER H H 33 8.221 8.661 -0.440 1
1 390 . 5 1 1 A 33 33 SER N N 33 116.259 116.938 -0.679 1
1 391 . 5 1 1 A 34 34 PRO HA H 34 3.951 4.345 -0.394 1
1 398 . 5 1 1 A 34 34 PRO C C 34 178.473 179.012 -0.539 1
1 399 . 5 1 1 A 34 34 PRO CA C 34 66.404 65.005 1.399 1
1 400 . 5 1 1 A 34 34 PRO CB C 34 31.712 32.003 -0.291 1
1 403 . 5 1 1 A 35 35 SER H H 35 8.343 8.310 0.033 1
1 404 . 5 1 1 A 35 35 SER HA H 35 4.192 4.214 -0.022 1
1 406 . 5 1 1 A 35 35 SER C C 35 177.361 176.020 1.341 1
1 407 . 5 1 1 A 35 35 SER CA C 35 61.358 61.766 -0.408 1
1 408 . 5 1 1 A 35 35 SER CB C 35 62.140 62.673 -0.533 1
1 409 . 5 1 1 A 35 35 SER N N 35 111.653 114.263 -2.610 1
1 410 . 5 1 1 A 36 36 ARG H H 36 7.868 7.877 -0.009 1
1 411 . 5 1 1 A 36 36 ARG HA H 36 4.243 4.206 0.037 1
1 418 . 5 1 1 A 36 36 ARG C C 36 178.850 178.383 0.467 1
1 419 . 5 1 1 A 36 36 ARG CA C 36 58.714 58.622 0.092 1
1 420 . 5 1 1 A 36 36 ARG CB C 36 29.804 29.900 -0.096 1
1 423 . 5 1 1 A 36 36 ARG N N 36 124.303 121.359 2.944 1
1 424 . 5 1 1 A 37 37 LEU H H 37 8.593 7.722 0.871 1
1 425 . 5 1 1 A 37 37 LEU HA H 37 4.052 4.125 -0.073 1
1 435 . 5 1 1 A 37 37 LEU C C 37 177.894 178.487 -0.593 1
1 436 . 5 1 1 A 37 37 LEU CA C 37 58.289 58.522 -0.233 1
1 437 . 5 1 1 A 37 37 LEU CB C 37 40.775 42.065 -1.290 1
1 441 . 5 1 1 A 37 37 LEU N N 37 119.319 121.731 -2.412 1
1 442 . 5 1 1 A 38 38 SER H H 38 8.478 8.466 0.012 1
1 443 . 5 1 1 A 38 38 SER HA H 38 4.066 4.253 -0.187 1
1 444 . 5 1 1 A 38 38 SER C C 38 176.577 176.889 -0.312 1
1 445 . 5 1 1 A 38 38 SER CA C 38 62.824 60.693 2.131 1
1 446 . 5 1 1 A 38 38 SER N N 38 113.612 115.058 -1.446 1
1 447 . 5 1 1 A 39 39 HIS H H 39 7.983 7.773 0.210 1
1 448 . 5 1 1 A 39 39 HIS HA H 39 4.403 4.276 0.127 1
1 453 . 5 1 1 A 39 39 HIS C C 39 177.138 176.869 0.269 1
1 454 . 5 1 1 A 39 39 HIS CA C 39 59.316 60.059 -0.743 1
1 455 . 5 1 1 A 39 39 HIS CB C 39 29.226 30.202 -0.976 1
1 458 . 5 1 1 A 39 39 HIS N N 39 119.938 121.629 -1.691 1
1 459 . 5 1 1 A 40 40 LEU H H 40 8.432 8.187 0.245 1
1 460 . 5 1 1 A 40 40 LEU HA H 40 4.045 4.004 0.041 1
1 470 . 5 1 1 A 40 40 LEU C C 40 178.876 179.167 -0.291 1
1 471 . 5 1 1 A 40 40 LEU CA C 40 57.990 57.811 0.179 1
1 472 . 5 1 1 A 40 40 LEU CB C 40 42.609 41.753 0.856 1
1 476 . 5 1 1 A 40 40 LEU N N 40 120.053 118.872 1.181 1
1 477 . 5 1 1 A 41 41 PHE H H 41 8.937 8.774 0.163 1
1 478 . 5 1 1 A 41 41 PHE HA H 41 3.736 3.987 -0.251 1
1 486 . 5 1 1 A 41 41 PHE C C 41 178.022 177.603 0.419 1
1 487 . 5 1 1 A 41 41 PHE CA C 41 62.523 61.995 0.528 1
1 488 . 5 1 1 A 41 41 PHE CB C 41 39.534 39.094 0.440 1
1 494 . 5 1 1 A 41 41 PHE N N 41 120.491 119.654 0.837 1
1 495 . 5 1 1 A 42 42 ARG H H 42 8.009 8.039 -0.030 1
1 496 . 5 1 1 A 42 42 ARG HA H 42 4.021 4.386 -0.365 1
1 502 . 5 1 1 A 42 42 ARG C C 42 179.850 178.970 0.880 1
1 503 . 5 1 1 A 42 42 ARG CA C 42 59.243 59.004 0.239 1
1 504 . 5 1 1 A 42 42 ARG CB C 42 29.748 29.578 0.170 1
1 507 . 5 1 1 A 42 42 ARG N N 42 117.688 118.256 -0.568 1
1 508 . 5 1 1 A 43 43 GLN H H 43 8.286 7.487 0.799 1
1 509 . 5 1 1 A 43 43 GLN HA H 43 4.006 4.097 -0.091 1
1 516 . 5 1 1 A 43 43 GLN C C 43 177.917 178.288 -0.371 1
1 517 . 5 1 1 A 43 43 GLN CA C 43 58.715 58.545 0.170 1
1 518 . 5 1 1 A 43 43 GLN CB C 43 29.345 28.655 0.690 1
1 521 . 5 1 1 A 43 43 GLN N N 43 118.179 118.065 0.114 1
1 523 . 5 1 1 A 44 44 GLN H H 44 8.296 8.150 0.146 1
1 524 . 5 1 1 A 44 44 GLN HA H 44 4.208 4.100 0.108 1
1 531 . 5 1 1 A 44 44 GLN C C 44 177.314 177.451 -0.137 1
1 532 . 5 1 1 A 44 44 GLN CA C 44 57.913 58.091 -0.178 1
1 533 . 5 1 1 A 44 44 GLN CB C 44 29.027 28.707 0.320 1
1 536 . 5 1 1 A 44 44 GLN N N 44 114.928 118.264 -3.336 1
1 538 . 5 1 1 A 45 45 LEU H H 45 8.463 7.997 0.466 1
1 539 . 5 1 1 A 45 45 LEU HA H 45 4.567 4.217 0.350 1
1 549 . 5 1 1 A 45 45 LEU C C 45 178.381 177.094 1.287 1
1 550 . 5 1 1 A 45 45 LEU CA C 45 54.564 55.102 -0.538 1
1 551 . 5 1 1 A 45 45 LEU CB C 45 43.031 42.361 0.670 1
1 555 . 5 1 1 A 45 45 LEU N N 45 117.028 116.866 0.162 1
1 556 . 5 1 1 A 46 46 GLY H H 46 7.852 8.902 -1.050 1
1 557 . 5 1 1 A 46 46 GLY HA2 H 46 4.005 3.872 0.133 1
1 558 . 5 1 1 A 46 46 GLY HA3 H 46 4.167 3.877 0.290 1
1 559 . 5 1 1 A 46 46 GLY C C 46 173.114 173.466 -0.352 1
1 560 . 5 1 1 A 46 46 GLY CA C 46 46.080 45.959 0.121 1
1 561 . 5 1 1 A 46 46 GLY N N 46 108.569 106.718 1.851 1
1 562 . 5 1 1 A 47 47 ILE H H 47 7.281 7.548 -0.267 1
1 563 . 5 1 1 A 47 47 ILE HA H 47 4.735 4.884 -0.149 1
1 573 . 5 1 1 A 47 47 ILE C C 47 172.231 174.771 -2.540 1
1 574 . 5 1 1 A 47 47 ILE CA C 47 59.240 58.769 0.471 1
1 575 . 5 1 1 A 47 47 ILE CB C 47 42.470 42.143 0.327 1
1 579 . 5 1 1 A 47 47 ILE N N 47 115.396 115.873 -0.477 1
1 580 . 5 1 1 A 48 48 SER H H 48 8.298 8.902 -0.604 1
1 581 . 5 1 1 A 48 48 SER HA H 48 4.725 4.765 -0.040 1
1 584 . 5 1 1 A 48 48 SER C C 48 174.600 176.295 -1.695 1
1 585 . 5 1 1 A 48 48 SER CA C 48 57.092 57.551 -0.459 1
1 586 . 5 1 1 A 48 48 SER CB C 48 65.286 64.625 0.661 1
1 587 . 5 1 1 A 48 48 SER N N 48 115.685 117.892 -2.207 1
1 588 . 5 1 1 A 49 49 VAL H H 49 8.296 8.795 -0.499 1
1 589 . 5 1 1 A 49 49 VAL HA H 49 3.081 3.857 -0.776 1
1 597 . 5 1 1 A 49 49 VAL C C 49 177.888 177.425 0.463 1
1 598 . 5 1 1 A 49 49 VAL CA C 49 65.881 67.551 -1.670 1
1 599 . 5 1 1 A 49 49 VAL CB C 49 31.149 31.614 -0.465 1
1 602 . 5 1 1 A 49 49 VAL N N 49 120.175 122.599 -2.424 1
1 603 . 5 1 1 A 50 50 LEU H H 50 8.138 8.259 -0.121 1
1 604 . 5 1 1 A 50 50 LEU HA H 50 4.011 4.059 -0.048 1
1 614 . 5 1 1 A 50 50 LEU C C 50 180.412 179.714 0.698 1
1 615 . 5 1 1 A 50 50 LEU CA C 50 57.962 58.089 -0.127 1
1 616 . 5 1 1 A 50 50 LEU CB C 50 41.224 41.278 -0.054 1
1 620 . 5 1 1 A 50 50 LEU N N 50 116.998 119.256 -2.258 1
1 621 . 5 1 1 A 51 51 SER H H 51 8.087 7.963 0.124 1
1 622 . 5 1 1 A 51 51 SER HA H 51 4.279 4.231 0.048 1
1 624 . 5 1 1 A 51 51 SER C C 51 176.081 176.803 -0.722 1
1 625 . 5 1 1 A 51 51 SER CA C 51 62.174 61.329 0.845 1
1 626 . 5 1 1 A 51 51 SER N N 51 117.207 114.818 2.389 1
1 627 . 5 1 1 A 52 52 TRP H H 52 8.913 8.323 0.590 1
1 628 . 5 1 1 A 52 52 TRP HA H 52 4.067 4.231 -0.164 1
1 637 . 5 1 1 A 52 52 TRP C C 52 178.579 177.961 0.618 1
1 638 . 5 1 1 A 52 52 TRP CA C 52 63.288 61.245 2.043 1
1 639 . 5 1 1 A 52 52 TRP CB C 52 29.159 29.891 -0.732 1
1 645 . 5 1 1 A 52 52 TRP N N 52 124.958 123.466 1.492 1
1 647 . 5 1 1 A 53 53 ARG H H 53 8.547 8.280 0.267 1
1 648 . 5 1 1 A 53 53 ARG HA H 53 3.578 3.458 0.120 1
1 654 . 5 1 1 A 53 53 ARG C C 53 177.290 179.112 -1.822 1
1 655 . 5 1 1 A 53 53 ARG CA C 53 60.443 59.480 0.963 1
1 656 . 5 1 1 A 53 53 ARG CB C 53 30.001 29.667 0.334 1
1 659 . 5 1 1 A 53 53 ARG N N 53 118.356 119.031 -0.675 1
1 660 . 5 1 1 A 54 54 GLU H H 54 8.002 7.846 0.156 1
1 661 . 5 1 1 A 54 54 GLU HA H 54 4.016 4.056 -0.040 1
1 666 . 5 1 1 A 54 54 GLU C C 54 178.460 178.701 -0.241 1
1 667 . 5 1 1 A 54 54 GLU CA C 54 59.982 59.165 0.817 1
1 668 . 5 1 1 A 54 54 GLU CB C 54 29.759 29.489 0.270 1
1 670 . 5 1 1 A 54 54 GLU N N 54 118.818 118.431 0.387 1
1 671 . 5 1 1 A 55 55 ASP H H 55 8.111 8.650 -0.539 1
1 672 . 5 1 1 A 55 55 ASP HA H 55 4.289 4.383 -0.094 1
1 675 . 5 1 1 A 55 55 ASP C C 55 179.313 178.917 0.396 1
1 676 . 5 1 1 A 55 55 ASP CA C 55 57.131 56.581 0.550 1
1 677 . 5 1 1 A 55 55 ASP CB C 55 40.227 40.632 -0.405 1
1 678 . 5 1 1 A 55 55 ASP N N 55 119.156 120.314 -1.158 1
1 679 . 5 1 1 A 56 56 GLN H H 56 8.099 7.811 0.288 1
1 680 . 5 1 1 A 56 56 GLN HA H 56 3.781 3.880 -0.099 1
1 687 . 5 1 1 A 56 56 GLN C C 56 178.700 178.518 0.182 1
1 688 . 5 1 1 A 56 56 GLN CA C 56 57.487 58.671 -1.184 1
1 689 . 5 1 1 A 56 56 GLN CB C 56 27.430 27.714 -0.284 1
1 692 . 5 1 1 A 56 56 GLN N N 56 119.807 119.596 0.211 1
1 694 . 5 1 1 A 57 57 ARG H H 57 8.240 7.594 0.646 1
1 695 . 5 1 1 A 57 57 ARG HA H 57 3.898 4.026 -0.128 1
1 702 . 5 1 1 A 57 57 ARG C C 57 178.185 178.565 -0.380 1
1 703 . 5 1 1 A 57 57 ARG CA C 57 60.671 58.986 1.685 1
1 704 . 5 1 1 A 57 57 ARG CB C 57 31.221 29.692 1.529 1
1 707 . 5 1 1 A 57 57 ARG N N 57 120.129 119.426 0.703 1
1 708 . 5 1 1 A 58 58 ILE H H 58 7.885 7.578 0.307 1
1 709 . 5 1 1 A 58 58 ILE HA H 58 3.978 3.765 0.213 1
1 719 . 5 1 1 A 58 58 ILE C C 58 178.357 178.386 -0.029 1
1 720 . 5 1 1 A 58 58 ILE CA C 58 61.684 65.092 -3.408 1
1 721 . 5 1 1 A 58 58 ILE CB C 58 34.538 37.555 -3.017 1
1 725 . 5 1 1 A 58 58 ILE N N 58 118.096 121.402 -3.306 1
1 726 . 5 1 1 A 59 59 SER H H 59 8.563 7.958 0.605 1
1 727 . 5 1 1 A 59 59 SER HA H 59 4.010 4.176 -0.166 1
1 728 . 5 1 1 A 59 59 SER C C 59 177.731 176.831 0.900 1
1 729 . 5 1 1 A 59 59 SER CA C 59 62.459 61.033 1.426 1
1 730 . 5 1 1 A 59 59 SER N N 59 117.208 116.061 1.147 1
1 731 . 5 1 1 A 60 60 GLN H H 60 8.471 8.171 0.300 1
1 732 . 5 1 1 A 60 60 GLN HA H 60 4.228 3.992 0.236 1
1 739 . 5 1 1 A 60 60 GLN C C 60 177.958 177.449 0.509 1
1 740 . 5 1 1 A 60 60 GLN CA C 60 58.233 58.464 -0.231 1
1 741 . 5 1 1 A 60 60 GLN CB C 60 27.288 28.841 -1.553 1
1 744 . 5 1 1 A 60 60 GLN N N 60 121.780 120.897 0.883 1
1 746 . 5 1 1 A 61 61 ALA H H 61 8.504 8.180 0.324 1
1 747 . 5 1 1 A 61 61 ALA HA H 61 3.947 3.940 0.007 1
1 751 . 5 1 1 A 61 61 ALA C C 61 179.360 179.695 -0.335 1
1 752 . 5 1 1 A 61 61 ALA CA C 61 55.413 54.978 0.435 1
1 753 . 5 1 1 A 61 61 ALA CB C 61 18.124 18.452 -0.328 1
1 754 . 5 1 1 A 61 61 ALA N N 61 122.352 122.191 0.161 1
1 755 . 5 1 1 A 62 62 LYS H H 62 8.776 7.670 1.106 1
1 756 . 5 1 1 A 62 62 LYS HA H 62 3.722 3.977 -0.255 1
1 765 . 5 1 1 A 62 62 LYS C C 62 179.330 179.286 0.044 1
1 766 . 5 1 1 A 62 62 LYS CA C 62 60.632 59.257 1.375 1
1 767 . 5 1 1 A 62 62 LYS CB C 62 32.580 32.667 -0.087 1
1 771 . 5 1 1 A 62 62 LYS N N 62 117.072 117.604 -0.532 1
1 772 . 5 1 1 A 63 63 LEU H H 63 7.670 7.398 0.272 1
1 773 . 5 1 1 A 63 63 LEU HA H 63 4.233 4.043 0.190 1
1 783 . 5 1 1 A 63 63 LEU C C 63 180.902 178.398 2.504 1
1 784 . 5 1 1 A 63 63 LEU CA C 63 58.446 58.052 0.394 1
1 785 . 5 1 1 A 63 63 LEU CB C 63 41.598 41.377 0.221 1
1 789 . 5 1 1 A 63 63 LEU N N 63 121.196 121.603 -0.407 1
1 790 . 5 1 1 A 64 64 LEU H H 64 8.585 7.667 0.918 1
1 791 . 5 1 1 A 64 64 LEU HA H 64 4.088 4.051 0.037 1
1 801 . 5 1 1 A 64 64 LEU C C 64 180.869 178.969 1.900 1
1 802 . 5 1 1 A 64 64 LEU CA C 64 57.782 57.671 0.111 1
1 803 . 5 1 1 A 64 64 LEU CB C 64 42.760 41.399 1.361 1
1 807 . 5 1 1 A 64 64 LEU N N 64 121.842 118.174 3.668 1
1 808 . 5 1 1 A 65 65 LEU H H 65 9.100 8.405 0.695 1
1 809 . 5 1 1 A 65 65 LEU HA H 65 4.346 4.079 0.267 1
1 819 . 5 1 1 A 65 65 LEU C C 65 178.659 178.095 0.564 1
1 820 . 5 1 1 A 65 65 LEU CA C 65 57.408 57.291 0.117 1
1 821 . 5 1 1 A 65 65 LEU CB C 65 43.013 40.814 2.199 1
1 825 . 5 1 1 A 65 65 LEU N N 65 119.872 119.350 0.522 1
1 826 . 5 1 1 A 66 66 SER H H 66 8.303 8.030 0.273 1
1 827 . 5 1 1 A 66 66 SER HA H 66 4.211 4.421 -0.210 1
1 829 . 5 1 1 A 66 66 SER C C 66 176.580 176.887 -0.307 1
1 830 . 5 1 1 A 66 66 SER CA C 66 60.155 60.949 -0.794 1
1 831 . 5 1 1 A 66 66 SER CB C 66 65.198 63.329 1.869 1
1 832 . 5 1 1 A 66 66 SER N N 66 110.490 114.440 -3.950 1
1 833 . 5 1 1 A 67 67 THR H H 67 7.901 7.779 0.122 1
1 834 . 5 1 1 A 67 67 THR HA H 67 4.812 4.349 0.463 1
1 839 . 5 1 1 A 67 67 THR C C 67 174.240 174.341 -0.101 1
1 840 . 5 1 1 A 67 67 THR CA C 67 62.400 63.611 -1.211 1
1 841 . 5 1 1 A 67 67 THR CB C 67 71.512 69.600 1.912 1
1 843 . 5 1 1 A 67 67 THR N N 67 108.414 114.817 -6.403 1
1 844 . 5 1 1 A 68 68 THR H H 68 7.507 7.711 -0.204 1
1 845 . 5 1 1 A 68 68 THR HA H 68 5.096 4.793 0.303 1
1 850 . 5 1 1 A 68 68 THR C C 68 174.263 174.077 0.186 1
1 851 . 5 1 1 A 68 68 THR CA C 68 60.124 59.596 0.528 1
1 852 . 5 1 1 A 68 68 THR CB C 68 72.795 72.205 0.590 1
1 854 . 5 1 1 A 68 68 THR N N 68 111.673 110.611 1.062 1
1 855 . 5 1 1 A 69 69 ARG H H 69 8.767 8.336 0.431 1
1 856 . 5 1 1 A 69 69 ARG HA H 69 4.422 4.632 -0.210 1
1 863 . 5 1 1 A 69 69 ARG C C 69 176.568 176.484 0.084 1
1 864 . 5 1 1 A 69 69 ARG CA C 69 53.692 55.163 -1.471 1
1 865 . 5 1 1 A 69 69 ARG CB C 69 28.814 30.547 -1.733 1
1 868 . 5 1 1 A 69 69 ARG N N 69 118.034 119.631 -1.597 1
1 869 . 5 1 1 A 70 70 MET H H 70 7.996 7.159 0.837 1
1 870 . 5 1 1 A 70 70 MET HA H 70 4.470 4.500 -0.030 1
1 878 . 5 1 1 A 70 70 MET CA C 70 55.386 55.251 0.135 1
1 879 . 5 1 1 A 70 70 MET CB C 70 34.080 32.448 1.632 1
1 882 . 5 1 1 A 70 70 MET N N 70 122.491 121.303 1.188 1
1 883 . 5 1 1 A 71 71 PRO HA H 71 4.574 4.511 0.063 1
1 890 . 5 1 1 A 71 71 PRO C C 71 177.204 177.087 0.117 1
1 891 . 5 1 1 A 71 71 PRO CA C 71 62.915 62.369 0.546 1
1 892 . 5 1 1 A 71 71 PRO CB C 71 32.380 32.763 -0.383 1
1 895 . 5 1 1 A 72 72 ILE H H 72 8.782 8.360 0.422 1
1 896 . 5 1 1 A 72 72 ILE HA H 72 3.407 3.688 -0.281 1
1 906 . 5 1 1 A 72 72 ILE C C 72 177.760 178.182 -0.422 1
1 907 . 5 1 1 A 72 72 ILE CA C 72 65.627 64.532 1.095 1
1 908 . 5 1 1 A 72 72 ILE CB C 72 36.771 37.704 -0.933 1
1 912 . 5 1 1 A 72 72 ILE N N 72 124.417 122.529 1.888 1
1 913 . 5 1 1 A 73 73 ALA H H 73 9.109 8.171 0.938 1
1 914 . 5 1 1 A 73 73 ALA HA H 73 3.974 4.036 -0.062 1
1 918 . 5 1 1 A 73 73 ALA C C 73 180.248 179.733 0.515 1
1 919 . 5 1 1 A 73 73 ALA CA C 73 55.232 55.252 -0.020 1
1 920 . 5 1 1 A 73 73 ALA CB C 73 18.338 18.306 0.032 1
1 921 . 5 1 1 A 73 73 ALA N N 73 119.077 123.447 -4.370 1
1 922 . 5 1 1 A 74 74 THR H H 74 7.112 7.832 -0.720 1
1 923 . 5 1 1 A 74 74 THR HA H 74 3.875 3.945 -0.070 1
1 928 . 5 1 1 A 74 74 THR C C 74 175.761 176.575 -0.814 1
1 929 . 5 1 1 A 74 74 THR CA C 74 65.841 66.352 -0.511 1
1 930 . 5 1 1 A 74 74 THR CB C 74 68.248 68.127 0.121 1
1 932 . 5 1 1 A 74 74 THR N N 74 114.866 114.564 0.302 1
1 933 . 5 1 1 A 75 75 VAL H H 75 8.087 8.054 0.033 1
1 934 . 5 1 1 A 75 75 VAL HA H 75 3.305 3.441 -0.136 1
1 942 . 5 1 1 A 75 75 VAL C C 75 177.048 177.496 -0.448 1
1 943 . 5 1 1 A 75 75 VAL CA C 75 67.681 66.336 1.345 1
1 944 . 5 1 1 A 75 75 VAL CB C 75 30.831 31.078 -0.247 1
1 947 . 5 1 1 A 75 75 VAL N N 75 123.901 121.422 2.479 1
1 948 . 5 1 1 A 76 76 GLY H H 76 7.673 7.776 -0.103 1
1 949 . 5 1 1 A 76 76 GLY HA2 H 76 2.235 3.212 -0.977 1
1 950 . 5 1 1 A 76 76 GLY HA3 H 76 3.003 3.601 -0.598 1
1 951 . 5 1 1 A 76 76 GLY C C 76 176.562 175.661 0.901 1
1 952 . 5 1 1 A 76 76 GLY CA C 76 46.293 46.913 -0.620 1
1 953 . 5 1 1 A 76 76 GLY N N 76 102.438 107.300 -4.862 1
1 954 . 5 1 1 A 77 77 ARG H H 77 7.760 7.688 0.072 1
1 955 . 5 1 1 A 77 77 ARG HA H 77 3.982 4.010 -0.028 1
1 962 . 5 1 1 A 77 77 ARG C C 77 180.332 178.800 1.532 1
1 963 . 5 1 1 A 77 77 ARG CA C 77 59.550 59.249 0.301 1
1 964 . 5 1 1 A 77 77 ARG CB C 77 30.085 30.018 0.067 1
1 967 . 5 1 1 A 77 77 ARG N N 77 122.228 121.747 0.481 1
1 968 . 5 1 1 A 78 78 ASN H H 78 8.230 7.724 0.506 1
1 969 . 5 1 1 A 78 78 ASN HA H 78 4.397 4.470 -0.073 1
1 974 . 5 1 1 A 78 78 ASN C C 78 176.105 176.834 -0.729 1
1 975 . 5 1 1 A 78 78 ASN CA C 78 55.615 55.995 -0.380 1
1 976 . 5 1 1 A 78 78 ASN CB C 78 38.806 38.611 0.195 1
1 978 . 5 1 1 A 78 78 ASN N N 78 119.139 117.311 1.828 1
1 980 . 5 1 1 A 79 79 VAL H H 79 7.323 7.169 0.154 1
1 981 . 5 1 1 A 79 79 VAL HA H 79 4.438 4.429 0.009 1
1 989 . 5 1 1 A 79 79 VAL C C 79 174.220 175.865 -1.645 1
1 990 . 5 1 1 A 79 79 VAL CA C 79 59.911 60.669 -0.758 1
1 991 . 5 1 1 A 79 79 VAL CB C 79 31.400 31.057 0.343 1
1 994 . 5 1 1 A 79 79 VAL N N 79 108.664 110.994 -2.330 1
1 995 . 5 1 1 A 80 80 GLY H H 80 7.286 7.891 -0.605 1
1 996 . 5 1 1 A 80 80 GLY HA2 H 80 3.540 3.971 -0.431 1
1 997 . 5 1 1 A 80 80 GLY HA3 H 80 4.023 4.012 0.011 1
1 998 . 5 1 1 A 80 80 GLY C C 80 174.383 174.802 -0.419 1
1 999 . 5 1 1 A 80 80 GLY CA C 80 45.739 46.003 -0.264 1
1 1000 . 5 1 1 A 80 80 GLY N N 80 104.635 110.117 -5.482 1
1 1001 . 5 1 1 A 81 81 PHE H H 81 8.535 8.247 0.288 1
1 1002 . 5 1 1 A 81 81 PHE HA H 81 4.845 4.505 0.340 1
1 1010 . 5 1 1 A 81 81 PHE C C 81 174.570 176.060 -1.490 1
1 1011 . 5 1 1 A 81 81 PHE CA C 81 56.375 58.890 -2.515 1
1 1012 . 5 1 1 A 81 81 PHE CB C 81 39.941 38.746 1.195 1
1 1018 . 5 1 1 A 81 81 PHE N N 81 119.772 119.519 0.253 1
1 1019 . 5 1 1 A 82 82 ASP H H 82 8.564 8.937 -0.373 1
1 1020 . 5 1 1 A 82 82 ASP HA H 82 4.491 4.563 -0.072 1
1 1023 . 5 1 1 A 82 82 ASP C C 82 175.170 175.249 -0.079 1
1 1024 . 5 1 1 A 82 82 ASP CA C 82 55.195 55.653 -0.458 1
1 1025 . 5 1 1 A 82 82 ASP CB C 82 41.010 41.246 -0.236 1
1 1026 . 5 1 1 A 82 82 ASP N N 82 123.028 123.856 -0.828 1
1 1027 . 5 1 1 A 83 83 ASP H H 83 7.789 7.937 -0.148 1
1 1028 . 5 1 1 A 83 83 ASP HA H 83 4.947 4.822 0.125 1
1 1031 . 5 1 1 A 83 83 ASP C C 83 176.347 176.211 0.136 1
1 1032 . 5 1 1 A 83 83 ASP CA C 83 52.690 53.612 -0.922 1
1 1033 . 5 1 1 A 83 83 ASP CB C 83 43.152 42.177 0.975 1
1 1034 . 5 1 1 A 83 83 ASP N N 83 118.576 119.637 -1.061 1
1 1035 . 5 1 1 A 84 84 GLN H H 84 9.104 8.941 0.163 1
1 1036 . 5 1 1 A 84 84 GLN HA H 84 4.333 3.991 0.342 1
1 1043 . 5 1 1 A 84 84 GLN C C 84 177.986 177.671 0.315 1
1 1044 . 5 1 1 A 84 84 GLN CA C 84 58.909 58.947 -0.038 1
1 1045 . 5 1 1 A 84 84 GLN CB C 84 28.267 28.372 -0.105 1
1 1048 . 5 1 1 A 84 84 GLN N N 84 126.543 127.052 -0.509 1
1 1050 . 5 1 1 A 85 85 LEU H H 85 8.419 7.943 0.476 1
1 1051 . 5 1 1 A 85 85 LEU HA H 85 4.210 4.318 -0.108 1
1 1061 . 5 1 1 A 85 85 LEU C C 85 179.472 179.006 0.466 1
1 1062 . 5 1 1 A 85 85 LEU CA C 85 57.958 57.781 0.177 1
1 1063 . 5 1 1 A 85 85 LEU CB C 85 40.678 41.627 -0.949 1
1 1067 . 5 1 1 A 85 85 LEU N N 85 123.486 119.754 3.732 1
1 1068 . 5 1 1 A 86 86 TYR H H 86 8.042 8.553 -0.511 1
1 1069 . 5 1 1 A 86 86 TYR HA H 86 4.288 4.174 0.114 1
1 1076 . 5 1 1 A 86 86 TYR C C 86 177.195 177.618 -0.423 1
1 1077 . 5 1 1 A 86 86 TYR CA C 86 60.367 61.834 -1.467 1
1 1078 . 5 1 1 A 86 86 TYR CB C 86 38.184 38.403 -0.219 1
1 1083 . 5 1 1 A 86 86 TYR N N 86 122.679 120.040 2.639 1
1 1084 . 5 1 1 A 87 87 PHE H H 87 8.219 8.232 -0.013 1
1 1085 . 5 1 1 A 87 87 PHE HA H 87 3.261 4.005 -0.744 1
1 1093 . 5 1 1 A 87 87 PHE C C 87 175.875 177.664 -1.789 1
1 1094 . 5 1 1 A 87 87 PHE CA C 87 58.536 62.000 -3.464 1
1 1095 . 5 1 1 A 87 87 PHE CB C 87 38.124 39.260 -1.136 1
1 1101 . 5 1 1 A 87 87 PHE N N 87 116.536 120.913 -4.377 1
1 1102 . 5 1 1 A 88 88 SER H H 88 8.082 8.460 -0.378 1
1 1103 . 5 1 1 A 88 88 SER HA H 88 3.951 4.125 -0.174 1
1 1105 . 5 1 1 A 88 88 SER C C 88 175.926 177.132 -1.206 1
1 1106 . 5 1 1 A 88 88 SER CA C 88 62.398 61.677 0.721 1
1 1107 . 5 1 1 A 88 88 SER N N 88 112.937 113.647 -0.710 1
1 1108 . 5 1 1 A 89 89 ARG H H 89 7.843 8.222 -0.379 1
1 1109 . 5 1 1 A 89 89 ARG HA H 89 3.975 4.127 -0.152 1
1 1116 . 5 1 1 A 89 89 ARG C C 89 179.414 178.881 0.533 1
1 1117 . 5 1 1 A 89 89 ARG CA C 89 59.452 59.265 0.187 1
1 1118 . 5 1 1 A 89 89 ARG CB C 89 30.242 30.194 0.048 1
1 1121 . 5 1 1 A 89 89 ARG N N 89 121.621 122.274 -0.653 1
1 1122 . 5 1 1 A 90 90 VAL H H 90 8.235 7.878 0.357 1
1 1123 . 5 1 1 A 90 90 VAL HA H 90 3.530 3.548 -0.018 1
1 1131 . 5 1 1 A 90 90 VAL C C 90 177.752 177.975 -0.223 1
1 1132 . 5 1 1 A 90 90 VAL CA C 90 66.208 66.219 -0.011 1
1 1133 . 5 1 1 A 90 90 VAL CB C 90 31.649 31.797 -0.148 1
1 1136 . 5 1 1 A 90 90 VAL N N 90 122.095 119.913 2.182 1
1 1137 . 5 1 1 A 91 91 PHE H H 91 8.763 8.568 0.195 1
1 1138 . 5 1 1 A 91 91 PHE HA H 91 3.584 3.828 -0.244 1
1 1141 . 5 1 1 A 91 91 PHE C C 91 178.386 177.529 0.857 1
1 1142 . 5 1 1 A 91 91 PHE CA C 91 62.523 60.422 2.101 1
1 1143 . 5 1 1 A 91 91 PHE CB C 91 39.528 38.309 1.219 1
1 1144 . 5 1 1 A 91 91 PHE N N 91 121.769 119.886 1.883 1
1 1145 . 5 1 1 A 92 92 LYS H H 92 8.237 8.340 -0.103 1
1 1146 . 5 1 1 A 92 92 LYS HA H 92 4.217 4.249 -0.032 1
1 1153 . 5 1 1 A 92 92 LYS C C 92 179.621 178.792 0.829 1
1 1154 . 5 1 1 A 92 92 LYS CA C 92 58.597 59.873 -1.276 1
1 1155 . 5 1 1 A 92 92 LYS CB C 92 32.290 32.009 0.281 1
1 1159 . 5 1 1 A 92 92 LYS N N 92 121.441 118.115 3.326 1
1 1160 . 5 1 1 A 93 93 LYS H H 93 8.013 7.774 0.239 1
1 1161 . 5 1 1 A 93 93 LYS HA H 93 3.956 4.059 -0.103 1
1 1169 . 5 1 1 A 93 93 LYS C C 93 178.611 179.097 -0.486 1
1 1170 . 5 1 1 A 93 93 LYS CA C 93 59.356 58.950 0.406 1
1 1171 . 5 1 1 A 93 93 LYS CB C 93 31.785 31.814 -0.029 1
1 1175 . 5 1 1 A 93 93 LYS N N 93 122.286 118.561 3.725 1
1 1176 . 5 1 1 A 94 94 CYS H H 94 7.818 7.633 0.185 1
1 1177 . 5 1 1 A 94 94 CYS HA H 94 4.224 3.925 0.299 1
1 1180 . 5 1 1 A 94 94 CYS C C 94 176.440 175.907 0.533 1
1 1181 . 5 1 1 A 94 94 CYS CA C 94 62.517 62.126 0.391 1
1 1182 . 5 1 1 A 94 94 CYS CB C 94 28.104 26.228 1.876 1
1 1183 . 5 1 1 A 94 94 CYS N N 94 113.581 118.701 -5.120 1
1 1184 . 5 1 1 A 95 95 THR H H 95 8.038 6.958 1.080 1
1 1185 . 5 1 1 A 95 95 THR HA H 95 4.397 4.321 0.076 1
1 1190 . 5 1 1 A 95 95 THR C C 95 176.237 175.978 0.259 1
1 1191 . 5 1 1 A 95 95 THR CA C 95 62.507 61.780 0.727 1
1 1192 . 5 1 1 A 95 95 THR CB C 95 71.481 70.511 0.970 1
1 1194 . 5 1 1 A 95 95 THR N N 95 106.903 108.637 -1.734 1
1 1195 . 5 1 1 A 96 96 GLY H H 96 8.526 8.996 -0.470 1
1 1196 . 5 1 1 A 96 96 GLY HA2 H 96 3.724 3.861 -0.137 1
1 1197 . 5 1 1 A 96 96 GLY HA3 H 96 4.374 3.872 0.502 1
1 1198 . 5 1 1 A 96 96 GLY C C 96 172.550 173.320 -0.770 1
1 1199 . 5 1 1 A 96 96 GLY CA C 96 45.264 45.280 -0.016 1
1 1200 . 5 1 1 A 96 96 GLY N N 96 112.762 111.503 1.259 1
1 1201 . 5 1 1 A 97 97 ALA H H 97 8.560 7.133 1.427 1
1 1202 . 5 1 1 A 97 97 ALA HA H 97 4.841 4.831 0.010 1
1 1206 . 5 1 1 A 97 97 ALA C C 97 175.280 175.610 -0.330 1
1 1207 . 5 1 1 A 97 97 ALA CA C 97 50.176 51.029 -0.853 1
1 1208 . 5 1 1 A 97 97 ALA CB C 97 22.551 22.633 -0.082 1
1 1209 . 5 1 1 A 97 97 ALA N N 97 125.656 120.868 4.788 1
1 1210 . 5 1 1 A 98 98 SER H H 98 8.817 8.697 0.120 1
1 1211 . 5 1 1 A 98 98 SER HA H 98 4.656 4.645 0.011 1
1 1212 . 5 1 1 A 98 98 SER CA C 98 56.612 57.465 -0.853 1
1 1213 . 5 1 1 A 98 98 SER N N 98 114.919 115.292 -0.373 1
1 1214 . 5 1 1 A 99 99 PRO HA H 99 3.500 4.632 -1.132 1
1 1220 . 5 1 1 A 99 99 PRO C C 99 177.585 177.907 -0.322 1
1 1221 . 5 1 1 A 99 99 PRO CA C 99 66.202 64.486 1.716 1
1 1222 . 5 1 1 A 99 99 PRO CB C 99 32.030 32.010 0.020 1
1 1225 . 5 1 1 A 100 100 SER H H 100 8.254 8.298 -0.044 1
1 1226 . 5 1 1 A 100 100 SER HA H 100 4.029 4.282 -0.253 1
1 1227 . 5 1 1 A 100 100 SER C C 100 177.441 176.854 0.587 1
1 1228 . 5 1 1 A 100 100 SER CA C 100 61.891 61.046 0.845 1
1 1229 . 5 1 1 A 100 100 SER N N 100 111.230 112.489 -1.259 1
1 1230 . 5 1 1 A 101 101 GLU H H 101 7.848 7.980 -0.132 1
1 1231 . 5 1 1 A 101 101 GLU HA H 101 4.021 4.080 -0.059 1
1 1236 . 5 1 1 A 101 101 GLU C C 101 179.288 178.712 0.576 1
1 1237 . 5 1 1 A 101 101 GLU CA C 101 58.822 59.364 -0.542 1
1 1238 . 5 1 1 A 101 101 GLU CB C 101 29.846 29.603 0.243 1
1 1240 . 5 1 1 A 101 101 GLU N N 101 125.150 122.439 2.711 1
1 1241 . 5 1 1 A 102 102 PHE H H 102 8.923 7.975 0.948 1
1 1242 . 5 1 1 A 102 102 PHE HA H 102 4.155 4.114 0.041 1
1 1245 . 5 1 1 A 102 102 PHE C C 102 178.343 177.867 0.476 1
1 1246 . 5 1 1 A 102 102 PHE CA C 102 61.315 61.705 -0.390 1
1 1247 . 5 1 1 A 102 102 PHE CB C 102 40.083 39.348 0.735 1
1 1248 . 5 1 1 A 102 102 PHE N N 102 121.281 120.812 0.469 1
1 1249 . 5 1 1 A 103 103 ARG H H 103 8.210 8.352 -0.142 1
1 1250 . 5 1 1 A 103 103 ARG HA H 103 3.830 4.014 -0.184 1
1 1257 . 5 1 1 A 103 103 ARG C C 103 177.602 178.063 -0.461 1
1 1258 . 5 1 1 A 103 103 ARG CA C 103 59.235 59.479 -0.244 1
1 1261 . 5 1 1 A 103 103 ARG N N 103 119.223 118.565 0.658 1
1 1262 . 5 1 1 A 104 104 ALA H H 104 7.905 7.521 0.384 1
1 1263 . 5 1 1 A 104 104 ALA HA H 104 4.186 4.205 -0.019 1
1 1267 . 5 1 1 A 104 104 ALA C C 104 179.126 178.071 1.055 1
1 1268 . 5 1 1 A 104 104 ALA CA C 104 54.188 52.657 1.531 1
1 1269 . 5 1 1 A 104 104 ALA CB C 104 18.254 19.577 -1.323 1
1 1270 . 5 1 1 A 104 104 ALA N N 104 120.546 119.472 1.074 1
1 1271 . 5 1 1 A 105 105 GLY H H 105 7.676 7.793 -0.117 1
1 1272 . 5 1 1 A 105 105 GLY HA2 H 105 3.849 3.711 0.138 1
1 1273 . 5 1 1 A 105 105 GLY HA3 H 105 4.052 3.813 0.239 1
1 1274 . 5 1 1 A 105 105 GLY C C 105 174.515 174.415 0.100 1
1 1275 . 5 1 1 A 105 105 GLY CA C 105 45.317 45.579 -0.262 1
1 1276 . 5 1 1 A 105 105 GLY N N 105 104.677 107.048 -2.371 1
1 1277 . 5 1 1 A 106 106 CYS H H 106 7.599 7.868 -0.269 1
1 1278 . 5 1 1 A 106 106 CYS HA H 106 4.447 4.481 -0.034 1
1 1281 . 5 1 1 A 106 106 CYS C C 106 173.823 174.321 -0.498 1
1 1282 . 5 1 1 A 106 106 CYS CA C 106 59.123 59.533 -0.410 1
1 1283 . 5 1 1 A 106 106 CYS CB C 106 28.004 28.196 -0.192 1
1 1284 . 5 1 1 A 106 106 CYS N N 106 118.321 119.787 -1.466 1
1 14 . 6 1 1 A 2 2 ASP H H 2 8.989 8.518 0.471 1
1 15 . 6 1 1 A 2 2 ASP HA H 2 4.662 4.641 0.021 1
1 18 . 6 1 1 A 2 2 ASP C C 2 177.024 177.110 -0.086 1
1 19 . 6 1 1 A 2 2 ASP CA C 2 54.092 54.436 -0.344 1
1 20 . 6 1 1 A 2 2 ASP CB C 2 42.743 42.873 -0.130 1
1 21 . 6 1 1 A 2 2 ASP N N 2 126.287 126.067 0.220 1
1 22 . 6 1 1 A 3 3 ASN H H 3 9.165 8.759 0.406 1
1 23 . 6 1 1 A 3 3 ASN HA H 3 4.446 4.337 0.109 1
1 28 . 6 1 1 A 3 3 ASN C C 3 177.306 177.188 0.118 1
1 29 . 6 1 1 A 3 3 ASN CA C 3 56.355 56.634 -0.279 1
1 30 . 6 1 1 A 3 3 ASN CB C 3 38.382 38.109 0.273 1
1 32 . 6 1 1 A 3 3 ASN N N 3 124.055 123.391 0.664 1
1 34 . 6 1 1 A 4 4 ARG H H 4 9.092 7.870 1.222 1
1 35 . 6 1 1 A 4 4 ARG HA H 4 4.183 4.010 0.173 1
1 42 . 6 1 1 A 4 4 ARG C C 4 178.824 178.374 0.450 1
1 43 . 6 1 1 A 4 4 ARG CA C 4 59.401 59.642 -0.241 1
1 44 . 6 1 1 A 4 4 ARG CB C 4 29.437 30.845 -1.408 1
1 47 . 6 1 1 A 4 4 ARG N N 4 119.970 119.993 -0.023 1
1 48 . 6 1 1 A 5 5 VAL H H 5 7.588 8.108 -0.520 1
1 49 . 6 1 1 A 5 5 VAL HA H 5 3.458 3.684 -0.226 1
1 57 . 6 1 1 A 5 5 VAL C C 5 177.573 177.963 -0.390 1
1 58 . 6 1 1 A 5 5 VAL CA C 5 66.543 66.871 -0.328 1
1 59 . 6 1 1 A 5 5 VAL CB C 5 31.294 31.151 0.143 1
1 62 . 6 1 1 A 5 5 VAL N N 5 119.312 119.506 -0.194 1
1 63 . 6 1 1 A 6 6 ARG H H 6 7.920 8.336 -0.416 1
1 64 . 6 1 1 A 6 6 ARG HA H 6 3.860 3.837 0.023 1
1 71 . 6 1 1 A 6 6 ARG C C 6 179.380 179.013 0.367 1
1 72 . 6 1 1 A 6 6 ARG CA C 6 60.197 59.661 0.536 1
1 73 . 6 1 1 A 6 6 ARG CB C 6 29.818 29.521 0.297 1
1 76 . 6 1 1 A 6 6 ARG N N 6 120.863 119.693 1.170 1
1 77 . 6 1 1 A 7 7 GLU H H 7 8.262 8.163 0.099 1
1 78 . 6 1 1 A 7 7 GLU HA H 7 4.241 4.081 0.160 1
1 83 . 6 1 1 A 7 7 GLU C C 7 179.131 179.281 -0.150 1
1 84 . 6 1 1 A 7 7 GLU CA C 7 58.770 59.432 -0.662 1
1 85 . 6 1 1 A 7 7 GLU CB C 7 28.883 29.392 -0.509 1
1 87 . 6 1 1 A 7 7 GLU N N 7 119.166 119.104 0.062 1
1 88 . 6 1 1 A 8 8 ALA H H 8 8.421 8.038 0.383 1
1 89 . 6 1 1 A 8 8 ALA HA H 8 4.046 4.419 -0.373 1
1 93 . 6 1 1 A 8 8 ALA C C 8 179.202 180.687 -1.485 1
1 94 . 6 1 1 A 8 8 ALA CA C 8 55.610 55.304 0.306 1
1 95 . 6 1 1 A 8 8 ALA CB C 8 18.512 18.615 -0.103 1
1 96 . 6 1 1 A 8 8 ALA N N 8 123.947 122.312 1.635 1
1 97 . 6 1 1 A 9 9 CYS H H 9 8.490 7.809 0.681 1
1 98 . 6 1 1 A 9 9 CYS HA H 9 3.767 4.441 -0.674 1
1 101 . 6 1 1 A 9 9 CYS C C 9 176.858 177.534 -0.676 1
1 102 . 6 1 1 A 9 9 CYS CA C 9 64.480 63.286 1.194 1
1 103 . 6 1 1 A 9 9 CYS CB C 9 26.690 27.506 -0.816 1
1 104 . 6 1 1 A 9 9 CYS N N 9 116.232 116.524 -0.292 1
1 105 . 6 1 1 A 10 10 GLN H H 10 8.088 7.854 0.234 1
1 106 . 6 1 1 A 10 10 GLN HA H 10 4.022 4.150 -0.128 1
1 113 . 6 1 1 A 10 10 GLN C C 10 177.140 178.589 -1.449 1
1 114 . 6 1 1 A 10 10 GLN CA C 10 58.804 59.383 -0.579 1
1 115 . 6 1 1 A 10 10 GLN CB C 10 28.299 28.416 -0.117 1
1 118 . 6 1 1 A 10 10 GLN N N 10 120.817 119.575 1.242 1
1 120 . 6 1 1 A 11 11 TYR H H 11 8.367 7.750 0.617 1
1 121 . 6 1 1 A 11 11 TYR HA H 11 4.308 4.160 0.148 1
1 128 . 6 1 1 A 11 11 TYR C C 11 178.986 177.115 1.871 1
1 129 . 6 1 1 A 11 11 TYR CA C 11 61.850 61.526 0.324 1
1 130 . 6 1 1 A 11 11 TYR CB C 11 38.653 38.495 0.158 1
1 135 . 6 1 1 A 11 11 TYR N N 11 120.419 120.901 -0.482 1
1 136 . 6 1 1 A 12 12 ILE H H 12 8.886 8.370 0.516 1
1 137 . 6 1 1 A 12 12 ILE HA H 12 3.700 3.449 0.251 1
1 147 . 6 1 1 A 12 12 ILE C C 12 179.352 177.947 1.405 1
1 148 . 6 1 1 A 12 12 ILE CA C 12 65.621 65.217 0.404 1
1 149 . 6 1 1 A 12 12 ILE CB C 12 38.203 38.121 0.082 1
1 153 . 6 1 1 A 12 12 ILE N N 12 119.720 121.525 -1.805 1
1 154 . 6 1 1 A 13 13 SER H H 13 8.740 8.461 0.279 1
1 155 . 6 1 1 A 13 13 SER HA H 13 4.753 4.155 0.598 1
1 158 . 6 1 1 A 13 13 SER C C 13 176.355 176.797 -0.442 1
1 159 . 6 1 1 A 13 13 SER CA C 13 62.551 61.576 0.975 1
1 160 . 6 1 1 A 13 13 SER CB C 13 62.468 62.242 0.226 1
1 161 . 6 1 1 A 13 13 SER N N 13 116.217 115.514 0.703 1
1 162 . 6 1 1 A 14 14 ASP H H 14 8.426 7.942 0.484 1
1 163 . 6 1 1 A 14 14 ASP HA H 14 4.438 4.470 -0.032 1
1 166 . 6 1 1 A 14 14 ASP C C 14 176.838 177.331 -0.493 1
1 167 . 6 1 1 A 14 14 ASP CA C 14 55.988 56.447 -0.459 1
1 168 . 6 1 1 A 14 14 ASP CB C 14 40.500 40.905 -0.405 1
1 169 . 6 1 1 A 14 14 ASP N N 14 121.201 121.340 -0.139 1
1 170 . 6 1 1 A 15 15 HIS H H 15 7.530 7.679 -0.149 1
1 171 . 6 1 1 A 15 15 HIS HA H 15 4.661 4.772 -0.111 1
1 176 . 6 1 1 A 15 15 HIS C C 15 175.451 175.656 -0.205 1
1 177 . 6 1 1 A 15 15 HIS CA C 15 55.320 55.149 0.171 1
1 178 . 6 1 1 A 15 15 HIS CB C 15 28.275 29.788 -1.513 1
1 181 . 6 1 1 A 15 15 HIS N N 15 116.777 116.069 0.708 1
1 182 . 6 1 1 A 16 16 LEU H H 16 7.271 7.510 -0.239 1
1 183 . 6 1 1 A 16 16 LEU HA H 16 3.812 3.703 0.109 1
1 193 . 6 1 1 A 16 16 LEU C C 16 176.627 178.331 -1.704 1
1 194 . 6 1 1 A 16 16 LEU CA C 16 58.076 57.928 0.148 1
1 195 . 6 1 1 A 16 16 LEU CB C 16 42.531 41.450 1.081 1
1 199 . 6 1 1 A 16 16 LEU N N 16 122.531 122.491 0.040 1
1 200 . 6 1 1 A 17 17 ALA H H 17 8.243 7.270 0.973 1
1 201 . 6 1 1 A 17 17 ALA HA H 17 3.937 4.151 -0.214 1
1 205 . 6 1 1 A 17 17 ALA C C 17 177.131 177.100 0.031 1
1 206 . 6 1 1 A 17 17 ALA CA C 17 51.802 52.614 -0.812 1
1 207 . 6 1 1 A 17 17 ALA CB C 17 18.473 19.637 -1.164 1
1 208 . 6 1 1 A 17 17 ALA N N 17 116.354 119.467 -3.113 1
1 209 . 6 1 1 A 18 18 ASP H H 18 7.488 7.430 0.058 1
1 210 . 6 1 1 A 18 18 ASP HA H 18 4.455 4.457 -0.002 1
1 213 . 6 1 1 A 18 18 ASP C C 18 177.370 175.627 1.743 1
1 214 . 6 1 1 A 18 18 ASP CA C 18 54.571 54.358 0.213 1
1 215 . 6 1 1 A 18 18 ASP CB C 18 40.521 42.385 -1.864 1
1 216 . 6 1 1 A 18 18 ASP N N 18 119.230 118.765 0.465 1
1 217 . 6 1 1 A 19 19 SER H H 19 8.793 8.863 -0.070 1
1 218 . 6 1 1 A 19 19 SER HA H 19 4.424 4.612 -0.188 1
1 221 . 6 1 1 A 19 19 SER C C 19 174.779 174.605 0.174 1
1 222 . 6 1 1 A 19 19 SER CA C 19 59.706 60.268 -0.562 1
1 223 . 6 1 1 A 19 19 SER CB C 19 63.351 64.385 -1.034 1
1 224 . 6 1 1 A 19 19 SER N N 19 119.892 117.611 2.281 1
1 225 . 6 1 1 A 20 20 ASN H H 20 8.520 7.989 0.531 1
1 226 . 6 1 1 A 20 20 ASN HA H 20 4.869 4.932 -0.063 1
1 231 . 6 1 1 A 20 20 ASN C C 20 173.838 174.599 -0.761 1
1 232 . 6 1 1 A 20 20 ASN CA C 20 52.586 53.420 -0.834 1
1 233 . 6 1 1 A 20 20 ASN CB C 20 38.799 38.646 0.153 1
1 235 . 6 1 1 A 20 20 ASN N N 20 119.769 118.621 1.148 1
1 237 . 6 1 1 A 21 21 PHE H H 21 8.082 9.078 -0.996 1
1 238 . 6 1 1 A 21 21 PHE HA H 21 4.397 4.906 -0.509 1
1 246 . 6 1 1 A 21 21 PHE C C 21 173.520 173.740 -0.220 1
1 247 . 6 1 1 A 21 21 PHE CA C 21 58.672 57.605 1.067 1
1 248 . 6 1 1 A 21 21 PHE CB C 21 40.704 40.659 0.045 1
1 254 . 6 1 1 A 21 21 PHE N N 21 121.875 126.346 -4.471 1
1 255 . 6 1 1 A 22 22 ASP H H 22 7.570 8.387 -0.817 1
1 256 . 6 1 1 A 22 22 ASP HA H 22 4.563 4.746 -0.183 1
1 259 . 6 1 1 A 22 22 ASP C C 22 175.674 175.823 -0.149 1
1 260 . 6 1 1 A 22 22 ASP CA C 22 52.049 52.427 -0.378 1
1 261 . 6 1 1 A 22 22 ASP CB C 22 43.023 41.679 1.344 1
1 262 . 6 1 1 A 22 22 ASP N N 22 126.780 127.600 -0.820 1
1 263 . 6 1 1 A 23 23 ILE H H 23 8.720 8.196 0.524 1
1 264 . 6 1 1 A 23 23 ILE HA H 23 3.555 3.557 -0.002 1
1 274 . 6 1 1 A 23 23 ILE C C 23 176.441 177.421 -0.980 1
1 275 . 6 1 1 A 23 23 ILE CA C 23 63.650 63.093 0.557 1
1 276 . 6 1 1 A 23 23 ILE CB C 23 37.741 37.935 -0.194 1
1 280 . 6 1 1 A 23 23 ILE N N 23 124.815 126.363 -1.548 1
1 281 . 6 1 1 A 24 24 ALA H H 24 8.543 8.273 0.270 1
1 282 . 6 1 1 A 24 24 ALA HA H 24 3.917 3.996 -0.079 1
1 286 . 6 1 1 A 24 24 ALA C C 24 180.227 179.694 0.533 1
1 287 . 6 1 1 A 24 24 ALA CA C 24 55.413 55.357 0.056 1
1 288 . 6 1 1 A 24 24 ALA CB C 24 17.760 17.895 -0.135 1
1 289 . 6 1 1 A 24 24 ALA N N 24 123.943 124.245 -0.302 1
1 290 . 6 1 1 A 25 25 SER H H 25 7.844 7.991 -0.147 1
1 291 . 6 1 1 A 25 25 SER HA H 25 4.246 3.987 0.259 1
1 293 . 6 1 1 A 25 25 SER C C 25 176.667 176.150 0.517 1
1 294 . 6 1 1 A 25 25 SER CA C 25 61.238 61.504 -0.266 1
1 295 . 6 1 1 A 25 25 SER CB C 25 62.402 62.679 -0.277 1
1 296 . 6 1 1 A 25 25 SER N N 25 114.143 113.425 0.718 1
1 297 . 6 1 1 A 26 26 VAL H H 26 7.086 7.470 -0.384 1
1 298 . 6 1 1 A 26 26 VAL HA H 26 3.198 3.634 -0.436 1
1 306 . 6 1 1 A 26 26 VAL C C 26 176.670 178.123 -1.453 1
1 307 . 6 1 1 A 26 26 VAL CA C 26 64.809 66.742 -1.933 1
1 308 . 6 1 1 A 26 26 VAL CB C 26 31.274 31.604 -0.330 1
1 311 . 6 1 1 A 26 26 VAL N N 26 122.369 122.067 0.302 1
1 312 . 6 1 1 A 27 27 ALA H H 27 8.043 7.887 0.156 1
1 313 . 6 1 1 A 27 27 ALA HA H 27 3.775 3.967 -0.192 1
1 317 . 6 1 1 A 27 27 ALA C C 27 178.948 179.354 -0.406 1
1 318 . 6 1 1 A 27 27 ALA CA C 27 55.507 55.562 -0.055 1
1 319 . 6 1 1 A 27 27 ALA CB C 27 17.412 17.897 -0.485 1
1 320 . 6 1 1 A 27 27 ALA N N 27 122.045 121.946 0.099 1
1 321 . 6 1 1 A 28 28 GLN H H 28 8.089 8.149 -0.060 1
1 322 . 6 1 1 A 28 28 GLN HA H 28 4.053 4.031 0.022 1
1 329 . 6 1 1 A 28 28 GLN C C 28 179.289 178.286 1.003 1
1 330 . 6 1 1 A 28 28 GLN CA C 28 58.625 58.739 -0.114 1
1 331 . 6 1 1 A 28 28 GLN CB C 28 28.155 28.138 0.017 1
1 334 . 6 1 1 A 28 28 GLN N N 28 116.168 118.372 -2.204 1
1 336 . 6 1 1 A 29 29 HIS H H 29 7.454 8.103 -0.649 1
1 337 . 6 1 1 A 29 29 HIS HA H 29 4.209 4.079 0.130 1
1 342 . 6 1 1 A 29 29 HIS C C 29 175.895 176.827 -0.932 1
1 343 . 6 1 1 A 29 29 HIS CA C 29 59.132 59.283 -0.151 1
1 344 . 6 1 1 A 29 29 HIS CB C 29 28.947 29.893 -0.946 1
1 347 . 6 1 1 A 29 29 HIS N N 29 118.117 119.906 -1.789 1
1 348 . 6 1 1 A 30 30 VAL H H 30 7.309 7.021 0.288 1
1 349 . 6 1 1 A 30 30 VAL HA H 30 4.441 4.096 0.345 1
1 357 . 6 1 1 A 30 30 VAL C C 30 173.598 174.340 -0.742 1
1 358 . 6 1 1 A 30 30 VAL CA C 30 59.948 60.412 -0.464 1
1 359 . 6 1 1 A 30 30 VAL CB C 30 31.067 30.799 0.268 1
1 362 . 6 1 1 A 30 30 VAL N N 30 106.791 109.344 -2.553 1
1 363 . 6 1 1 A 31 31 CYS H H 31 7.837 7.994 -0.157 1
1 364 . 6 1 1 A 31 31 CYS HA H 31 3.929 4.104 -0.175 1
1 367 . 6 1 1 A 31 31 CYS C C 31 173.679 173.346 0.333 1
1 368 . 6 1 1 A 31 31 CYS CA C 31 59.814 60.417 -0.603 1
1 369 . 6 1 1 A 31 31 CYS CB C 31 24.898 25.931 -1.033 1
1 370 . 6 1 1 A 31 31 CYS N N 31 116.363 117.034 -0.671 1
1 371 . 6 1 1 A 32 32 LEU H H 32 8.061 7.820 0.241 1
1 372 . 6 1 1 A 32 32 LEU HA H 32 4.871 4.871 0.000 1
1 382 . 6 1 1 A 32 32 LEU C C 32 176.243 175.273 0.970 1
1 383 . 6 1 1 A 32 32 LEU CA C 32 52.555 53.515 -0.960 1
1 384 . 6 1 1 A 32 32 LEU CB C 32 48.238 45.943 2.295 1
1 388 . 6 1 1 A 32 32 LEU N N 32 118.159 120.120 -1.961 1
1 389 . 6 1 1 A 33 33 SER H H 33 8.221 8.710 -0.489 1
1 390 . 6 1 1 A 33 33 SER N N 33 116.259 118.644 -2.385 1
1 391 . 6 1 1 A 34 34 PRO HA H 34 3.951 4.347 -0.396 1
1 398 . 6 1 1 A 34 34 PRO C C 34 178.473 177.968 0.505 1
1 399 . 6 1 1 A 34 34 PRO CA C 34 66.404 64.947 1.457 1
1 400 . 6 1 1 A 34 34 PRO CB C 34 31.712 32.029 -0.317 1
1 403 . 6 1 1 A 35 35 SER H H 35 8.343 8.248 0.095 1
1 404 . 6 1 1 A 35 35 SER HA H 35 4.192 4.257 -0.065 1
1 406 . 6 1 1 A 35 35 SER C C 35 177.361 177.407 -0.046 1
1 407 . 6 1 1 A 35 35 SER CA C 35 61.358 61.403 -0.045 1
1 408 . 6 1 1 A 35 35 SER CB C 35 62.140 62.945 -0.805 1
1 409 . 6 1 1 A 35 35 SER N N 35 111.653 112.196 -0.543 1
1 410 . 6 1 1 A 36 36 ARG H H 36 7.868 7.940 -0.072 1
1 411 . 6 1 1 A 36 36 ARG HA H 36 4.243 4.090 0.153 1
1 418 . 6 1 1 A 36 36 ARG C C 36 178.850 179.187 -0.337 1
1 419 . 6 1 1 A 36 36 ARG CA C 36 58.714 59.021 -0.307 1
1 420 . 6 1 1 A 36 36 ARG CB C 36 29.804 30.016 -0.212 1
1 423 . 6 1 1 A 36 36 ARG N N 36 124.303 121.750 2.553 1
1 424 . 6 1 1 A 37 37 LEU H H 37 8.593 8.082 0.511 1
1 425 . 6 1 1 A 37 37 LEU HA H 37 4.052 4.130 -0.078 1
1 435 . 6 1 1 A 37 37 LEU C C 37 177.894 178.452 -0.558 1
1 436 . 6 1 1 A 37 37 LEU CA C 37 58.289 58.464 -0.175 1
1 437 . 6 1 1 A 37 37 LEU CB C 37 40.775 41.845 -1.070 1
1 441 . 6 1 1 A 37 37 LEU N N 37 119.319 122.107 -2.788 1
1 442 . 6 1 1 A 38 38 SER H H 38 8.478 8.535 -0.057 1
1 443 . 6 1 1 A 38 38 SER HA H 38 4.066 4.247 -0.181 1
1 444 . 6 1 1 A 38 38 SER C C 38 176.577 176.938 -0.361 1
1 445 . 6 1 1 A 38 38 SER CA C 38 62.824 60.856 1.968 1
1 446 . 6 1 1 A 38 38 SER N N 38 113.612 115.043 -1.431 1
1 447 . 6 1 1 A 39 39 HIS H H 39 7.983 7.630 0.353 1
1 448 . 6 1 1 A 39 39 HIS HA H 39 4.403 4.278 0.125 1
1 453 . 6 1 1 A 39 39 HIS C C 39 177.138 176.776 0.362 1
1 454 . 6 1 1 A 39 39 HIS CA C 39 59.316 60.049 -0.733 1
1 455 . 6 1 1 A 39 39 HIS CB C 39 29.226 30.192 -0.966 1
1 458 . 6 1 1 A 39 39 HIS N N 39 119.938 121.637 -1.699 1
1 459 . 6 1 1 A 40 40 LEU H H 40 8.432 8.195 0.237 1
1 460 . 6 1 1 A 40 40 LEU HA H 40 4.045 4.019 0.026 1
1 470 . 6 1 1 A 40 40 LEU C C 40 178.876 179.156 -0.280 1
1 471 . 6 1 1 A 40 40 LEU CA C 40 57.990 57.854 0.136 1
1 472 . 6 1 1 A 40 40 LEU CB C 40 42.609 41.840 0.769 1
1 476 . 6 1 1 A 40 40 LEU N N 40 120.053 118.888 1.165 1
1 477 . 6 1 1 A 41 41 PHE H H 41 8.937 8.844 0.093 1
1 478 . 6 1 1 A 41 41 PHE HA H 41 3.736 3.992 -0.256 1
1 486 . 6 1 1 A 41 41 PHE C C 41 178.022 177.596 0.426 1
1 487 . 6 1 1 A 41 41 PHE CA C 41 62.523 62.140 0.383 1
1 488 . 6 1 1 A 41 41 PHE CB C 41 39.534 39.019 0.515 1
1 494 . 6 1 1 A 41 41 PHE N N 41 120.491 119.677 0.814 1
1 495 . 6 1 1 A 42 42 ARG H H 42 8.009 8.090 -0.081 1
1 496 . 6 1 1 A 42 42 ARG HA H 42 4.021 4.393 -0.372 1
1 502 . 6 1 1 A 42 42 ARG C C 42 179.850 178.330 1.520 1
1 503 . 6 1 1 A 42 42 ARG CA C 42 59.243 59.018 0.225 1
1 504 . 6 1 1 A 42 42 ARG CB C 42 29.748 29.587 0.161 1
1 507 . 6 1 1 A 42 42 ARG N N 42 117.688 118.645 -0.957 1
1 508 . 6 1 1 A 43 43 GLN H H 43 8.286 7.449 0.837 1
1 509 . 6 1 1 A 43 43 GLN HA H 43 4.006 3.980 0.026 1
1 516 . 6 1 1 A 43 43 GLN C C 43 177.917 178.264 -0.347 1
1 517 . 6 1 1 A 43 43 GLN CA C 43 58.715 58.905 -0.190 1
1 518 . 6 1 1 A 43 43 GLN CB C 43 29.345 28.732 0.613 1
1 521 . 6 1 1 A 43 43 GLN N N 43 118.179 118.728 -0.549 1
1 523 . 6 1 1 A 44 44 GLN H H 44 8.296 8.189 0.107 1
1 524 . 6 1 1 A 44 44 GLN HA H 44 4.208 4.110 0.098 1
1 531 . 6 1 1 A 44 44 GLN C C 44 177.314 177.467 -0.153 1
1 532 . 6 1 1 A 44 44 GLN CA C 44 57.913 58.103 -0.190 1
1 533 . 6 1 1 A 44 44 GLN CB C 44 29.027 28.691 0.336 1
1 536 . 6 1 1 A 44 44 GLN N N 44 114.928 118.058 -3.130 1
1 538 . 6 1 1 A 45 45 LEU H H 45 8.463 8.024 0.439 1
1 539 . 6 1 1 A 45 45 LEU HA H 45 4.567 4.251 0.316 1
1 549 . 6 1 1 A 45 45 LEU C C 45 178.381 177.070 1.311 1
1 550 . 6 1 1 A 45 45 LEU CA C 45 54.564 55.136 -0.572 1
1 551 . 6 1 1 A 45 45 LEU CB C 45 43.031 42.341 0.690 1
1 555 . 6 1 1 A 45 45 LEU N N 45 117.028 116.878 0.150 1
1 556 . 6 1 1 A 46 46 GLY H H 46 7.852 8.912 -1.060 1
1 557 . 6 1 1 A 46 46 GLY HA2 H 46 4.005 3.879 0.126 1
1 558 . 6 1 1 A 46 46 GLY HA3 H 46 4.167 3.885 0.282 1
1 559 . 6 1 1 A 46 46 GLY C C 46 173.114 173.470 -0.356 1
1 560 . 6 1 1 A 46 46 GLY CA C 46 46.080 45.964 0.116 1
1 561 . 6 1 1 A 46 46 GLY N N 46 108.569 106.631 1.938 1
1 562 . 6 1 1 A 47 47 ILE H H 47 7.281 7.560 -0.279 1
1 563 . 6 1 1 A 47 47 ILE HA H 47 4.735 4.889 -0.154 1
1 573 . 6 1 1 A 47 47 ILE C C 47 172.231 174.666 -2.435 1
1 574 . 6 1 1 A 47 47 ILE CA C 47 59.240 58.776 0.464 1
1 575 . 6 1 1 A 47 47 ILE CB C 47 42.470 42.149 0.321 1
1 579 . 6 1 1 A 47 47 ILE N N 47 115.396 115.877 -0.481 1
1 580 . 6 1 1 A 48 48 SER H H 48 8.298 8.710 -0.412 1
1 581 . 6 1 1 A 48 48 SER HA H 48 4.725 4.671 0.054 1
1 584 . 6 1 1 A 48 48 SER C C 48 174.600 175.558 -0.958 1
1 585 . 6 1 1 A 48 48 SER CA C 48 57.092 58.517 -1.425 1
1 586 . 6 1 1 A 48 48 SER CB C 48 65.286 64.041 1.245 1
1 587 . 6 1 1 A 48 48 SER N N 48 115.685 118.703 -3.018 1
1 588 . 6 1 1 A 49 49 VAL H H 49 8.296 8.819 -0.523 1
1 589 . 6 1 1 A 49 49 VAL HA H 49 3.081 3.825 -0.744 1
1 597 . 6 1 1 A 49 49 VAL C C 49 177.888 177.433 0.455 1
1 598 . 6 1 1 A 49 49 VAL CA C 49 65.881 67.520 -1.639 1
1 599 . 6 1 1 A 49 49 VAL CB C 49 31.149 31.674 -0.525 1
1 602 . 6 1 1 A 49 49 VAL N N 49 120.175 127.470 -7.295 1
1 603 . 6 1 1 A 50 50 LEU H H 50 8.138 8.294 -0.156 1
1 604 . 6 1 1 A 50 50 LEU HA H 50 4.011 4.057 -0.046 1
1 614 . 6 1 1 A 50 50 LEU C C 50 180.412 179.646 0.766 1
1 615 . 6 1 1 A 50 50 LEU CA C 50 57.962 57.912 0.050 1
1 616 . 6 1 1 A 50 50 LEU CB C 50 41.224 40.957 0.267 1
1 620 . 6 1 1 A 50 50 LEU N N 50 116.998 119.020 -2.022 1
1 621 . 6 1 1 A 51 51 SER H H 51 8.087 7.932 0.155 1
1 622 . 6 1 1 A 51 51 SER HA H 51 4.279 4.238 0.041 1
1 624 . 6 1 1 A 51 51 SER C C 51 176.081 176.807 -0.726 1
1 625 . 6 1 1 A 51 51 SER CA C 51 62.174 61.338 0.836 1
1 626 . 6 1 1 A 51 51 SER N N 51 117.207 114.916 2.291 1
1 627 . 6 1 1 A 52 52 TRP H H 52 8.913 8.284 0.629 1
1 628 . 6 1 1 A 52 52 TRP HA H 52 4.067 4.232 -0.165 1
1 637 . 6 1 1 A 52 52 TRP C C 52 178.579 177.960 0.619 1
1 638 . 6 1 1 A 52 52 TRP CA C 52 63.288 61.144 2.144 1
1 639 . 6 1 1 A 52 52 TRP CB C 52 29.159 29.854 -0.695 1
1 645 . 6 1 1 A 52 52 TRP N N 52 124.958 123.797 1.161 1
1 647 . 6 1 1 A 53 53 ARG H H 53 8.547 8.255 0.292 1
1 648 . 6 1 1 A 53 53 ARG HA H 53 3.578 3.479 0.099 1
1 654 . 6 1 1 A 53 53 ARG C C 53 177.290 178.728 -1.438 1
1 655 . 6 1 1 A 53 53 ARG CA C 53 60.443 59.468 0.975 1
1 656 . 6 1 1 A 53 53 ARG CB C 53 30.001 29.554 0.447 1
1 659 . 6 1 1 A 53 53 ARG N N 53 118.356 119.225 -0.869 1
1 660 . 6 1 1 A 54 54 GLU H H 54 8.002 7.632 0.370 1
1 661 . 6 1 1 A 54 54 GLU HA H 54 4.016 4.097 -0.081 1
1 666 . 6 1 1 A 54 54 GLU C C 54 178.460 178.511 -0.051 1
1 667 . 6 1 1 A 54 54 GLU CA C 54 59.982 59.526 0.456 1
1 668 . 6 1 1 A 54 54 GLU CB C 54 29.759 29.208 0.551 1
1 670 . 6 1 1 A 54 54 GLU N N 54 118.818 119.051 -0.233 1
1 671 . 6 1 1 A 55 55 ASP H H 55 8.111 8.498 -0.387 1
1 672 . 6 1 1 A 55 55 ASP HA H 55 4.289 4.354 -0.065 1
1 675 . 6 1 1 A 55 55 ASP C C 55 179.313 178.533 0.780 1
1 676 . 6 1 1 A 55 55 ASP CA C 55 57.131 57.576 -0.445 1
1 677 . 6 1 1 A 55 55 ASP CB C 55 40.227 41.328 -1.101 1
1 678 . 6 1 1 A 55 55 ASP N N 55 119.156 120.070 -0.914 1
1 679 . 6 1 1 A 56 56 GLN H H 56 8.099 7.802 0.297 1
1 680 . 6 1 1 A 56 56 GLN HA H 56 3.781 3.892 -0.111 1
1 687 . 6 1 1 A 56 56 GLN C C 56 178.700 178.522 0.178 1
1 688 . 6 1 1 A 56 56 GLN CA C 56 57.487 58.648 -1.161 1
1 689 . 6 1 1 A 56 56 GLN CB C 56 27.430 27.686 -0.256 1
1 692 . 6 1 1 A 56 56 GLN N N 56 119.807 117.977 1.830 1
1 694 . 6 1 1 A 57 57 ARG H H 57 8.240 7.651 0.589 1
1 695 . 6 1 1 A 57 57 ARG HA H 57 3.898 3.960 -0.062 1
1 702 . 6 1 1 A 57 57 ARG C C 57 178.185 178.884 -0.699 1
1 703 . 6 1 1 A 57 57 ARG CA C 57 60.671 59.030 1.641 1
1 704 . 6 1 1 A 57 57 ARG CB C 57 31.221 29.789 1.432 1
1 707 . 6 1 1 A 57 57 ARG N N 57 120.129 119.460 0.669 1
1 708 . 6 1 1 A 58 58 ILE H H 58 7.885 7.596 0.289 1
1 709 . 6 1 1 A 58 58 ILE HA H 58 3.978 4.064 -0.086 1
1 719 . 6 1 1 A 58 58 ILE C C 58 178.357 178.094 0.263 1
1 720 . 6 1 1 A 58 58 ILE CA C 58 61.684 65.083 -3.399 1
1 721 . 6 1 1 A 58 58 ILE CB C 58 34.538 37.900 -3.362 1
1 725 . 6 1 1 A 58 58 ILE N N 58 118.096 121.507 -3.411 1
1 726 . 6 1 1 A 59 59 SER H H 59 8.563 8.050 0.513 1
1 727 . 6 1 1 A 59 59 SER HA H 59 4.010 4.088 -0.078 1
1 728 . 6 1 1 A 59 59 SER C C 59 177.731 177.306 0.425 1
1 729 . 6 1 1 A 59 59 SER CA C 59 62.459 61.346 1.113 1
1 730 . 6 1 1 A 59 59 SER N N 59 117.208 115.745 1.463 1
1 731 . 6 1 1 A 60 60 GLN H H 60 8.471 7.883 0.588 1
1 732 . 6 1 1 A 60 60 GLN HA H 60 4.228 4.002 0.226 1
1 739 . 6 1 1 A 60 60 GLN C C 60 177.958 177.475 0.483 1
1 740 . 6 1 1 A 60 60 GLN CA C 60 58.233 58.526 -0.293 1
1 741 . 6 1 1 A 60 60 GLN CB C 60 27.288 28.718 -1.430 1
1 744 . 6 1 1 A 60 60 GLN N N 60 121.780 120.532 1.248 1
1 746 . 6 1 1 A 61 61 ALA H H 61 8.504 8.068 0.436 1
1 747 . 6 1 1 A 61 61 ALA HA H 61 3.947 3.948 -0.001 1
1 751 . 6 1 1 A 61 61 ALA C C 61 179.360 179.706 -0.346 1
1 752 . 6 1 1 A 61 61 ALA CA C 61 55.413 55.156 0.257 1
1 753 . 6 1 1 A 61 61 ALA CB C 61 18.124 18.408 -0.284 1
1 754 . 6 1 1 A 61 61 ALA N N 61 122.352 122.314 0.038 1
1 755 . 6 1 1 A 62 62 LYS H H 62 8.776 7.937 0.839 1
1 756 . 6 1 1 A 62 62 LYS HA H 62 3.722 4.102 -0.380 1
1 765 . 6 1 1 A 62 62 LYS C C 62 179.330 179.551 -0.221 1
1 766 . 6 1 1 A 62 62 LYS CA C 62 60.632 59.545 1.087 1
1 767 . 6 1 1 A 62 62 LYS CB C 62 32.580 32.203 0.377 1
1 771 . 6 1 1 A 62 62 LYS N N 62 117.072 117.481 -0.409 1
1 772 . 6 1 1 A 63 63 LEU H H 63 7.670 7.359 0.311 1
1 773 . 6 1 1 A 63 63 LEU HA H 63 4.233 4.014 0.219 1
1 783 . 6 1 1 A 63 63 LEU C C 63 180.902 178.348 2.554 1
1 784 . 6 1 1 A 63 63 LEU CA C 63 58.446 58.117 0.329 1
1 785 . 6 1 1 A 63 63 LEU CB C 63 41.598 41.950 -0.352 1
1 789 . 6 1 1 A 63 63 LEU N N 63 121.196 121.606 -0.410 1
1 790 . 6 1 1 A 64 64 LEU H H 64 8.585 7.561 1.024 1
1 791 . 6 1 1 A 64 64 LEU HA H 64 4.088 4.015 0.073 1
1 801 . 6 1 1 A 64 64 LEU C C 64 180.869 178.661 2.208 1
1 802 . 6 1 1 A 64 64 LEU CA C 64 57.782 58.039 -0.257 1
1 803 . 6 1 1 A 64 64 LEU CB C 64 42.760 41.114 1.646 1
1 807 . 6 1 1 A 64 64 LEU N N 64 121.842 117.161 4.681 1
1 808 . 6 1 1 A 65 65 LEU H H 65 9.100 8.333 0.767 1
1 809 . 6 1 1 A 65 65 LEU HA H 65 4.346 4.133 0.213 1
1 819 . 6 1 1 A 65 65 LEU C C 65 178.659 178.573 0.086 1
1 820 . 6 1 1 A 65 65 LEU CA C 65 57.408 57.597 -0.189 1
1 821 . 6 1 1 A 65 65 LEU CB C 65 43.013 40.859 2.154 1
1 825 . 6 1 1 A 65 65 LEU N N 65 119.872 122.079 -2.207 1
1 826 . 6 1 1 A 66 66 SER H H 66 8.303 7.877 0.426 1
1 827 . 6 1 1 A 66 66 SER HA H 66 4.211 4.268 -0.057 1
1 829 . 6 1 1 A 66 66 SER C C 66 176.580 176.107 0.473 1
1 830 . 6 1 1 A 66 66 SER CA C 66 60.155 60.849 -0.694 1
1 831 . 6 1 1 A 66 66 SER CB C 66 65.198 62.996 2.202 1
1 832 . 6 1 1 A 66 66 SER N N 66 110.490 114.683 -4.193 1
1 833 . 6 1 1 A 67 67 THR H H 67 7.901 7.648 0.253 1
1 834 . 6 1 1 A 67 67 THR HA H 67 4.812 4.434 0.378 1
1 839 . 6 1 1 A 67 67 THR C C 67 174.240 174.149 0.091 1
1 840 . 6 1 1 A 67 67 THR CA C 67 62.400 62.321 0.079 1
1 841 . 6 1 1 A 67 67 THR CB C 67 71.512 69.561 1.951 1
1 843 . 6 1 1 A 67 67 THR N N 67 108.414 113.925 -5.511 1
1 844 . 6 1 1 A 68 68 THR H H 68 7.507 7.299 0.208 1
1 845 . 6 1 1 A 68 68 THR HA H 68 5.096 4.770 0.326 1
1 850 . 6 1 1 A 68 68 THR C C 68 174.263 174.504 -0.241 1
1 851 . 6 1 1 A 68 68 THR CA C 68 60.124 59.663 0.461 1
1 852 . 6 1 1 A 68 68 THR CB C 68 72.795 72.039 0.756 1
1 854 . 6 1 1 A 68 68 THR N N 68 111.673 111.414 0.259 1
1 855 . 6 1 1 A 69 69 ARG H H 69 8.767 8.788 -0.021 1
1 856 . 6 1 1 A 69 69 ARG HA H 69 4.422 4.620 -0.198 1
1 863 . 6 1 1 A 69 69 ARG C C 69 176.568 176.391 0.177 1
1 864 . 6 1 1 A 69 69 ARG CA C 69 53.692 55.368 -1.676 1
1 865 . 6 1 1 A 69 69 ARG CB C 69 28.814 30.071 -1.257 1
1 868 . 6 1 1 A 69 69 ARG N N 69 118.034 120.577 -2.543 1
1 869 . 6 1 1 A 70 70 MET H H 70 7.996 7.578 0.418 1
1 870 . 6 1 1 A 70 70 MET HA H 70 4.470 4.531 -0.061 1
1 878 . 6 1 1 A 70 70 MET CA C 70 55.386 55.284 0.102 1
1 879 . 6 1 1 A 70 70 MET CB C 70 34.080 32.495 1.585 1
1 882 . 6 1 1 A 70 70 MET N N 70 122.491 121.003 1.488 1
1 883 . 6 1 1 A 71 71 PRO HA H 71 4.574 4.565 0.009 1
1 890 . 6 1 1 A 71 71 PRO C C 71 177.204 177.392 -0.188 1
1 891 . 6 1 1 A 71 71 PRO CA C 71 62.915 62.584 0.331 1
1 892 . 6 1 1 A 71 71 PRO CB C 71 32.380 32.659 -0.279 1
1 895 . 6 1 1 A 72 72 ILE H H 72 8.782 8.409 0.373 1
1 896 . 6 1 1 A 72 72 ILE HA H 72 3.407 3.709 -0.302 1
1 906 . 6 1 1 A 72 72 ILE C C 72 177.760 178.071 -0.311 1
1 907 . 6 1 1 A 72 72 ILE CA C 72 65.627 64.725 0.902 1
1 908 . 6 1 1 A 72 72 ILE CB C 72 36.771 37.715 -0.944 1
1 912 . 6 1 1 A 72 72 ILE N N 72 124.417 123.254 1.163 1
1 913 . 6 1 1 A 73 73 ALA H H 73 9.109 8.142 0.967 1
1 914 . 6 1 1 A 73 73 ALA HA H 73 3.974 4.022 -0.048 1
1 918 . 6 1 1 A 73 73 ALA C C 73 180.248 179.707 0.541 1
1 919 . 6 1 1 A 73 73 ALA CA C 73 55.232 55.257 -0.025 1
1 920 . 6 1 1 A 73 73 ALA CB C 73 18.338 18.269 0.069 1
1 921 . 6 1 1 A 73 73 ALA N N 73 119.077 123.144 -4.067 1
1 922 . 6 1 1 A 74 74 THR H H 74 7.112 7.750 -0.638 1
1 923 . 6 1 1 A 74 74 THR HA H 74 3.875 3.891 -0.016 1
1 928 . 6 1 1 A 74 74 THR C C 74 175.761 176.411 -0.650 1
1 929 . 6 1 1 A 74 74 THR CA C 74 65.841 66.897 -1.056 1
1 930 . 6 1 1 A 74 74 THR CB C 74 68.248 68.449 -0.201 1
1 932 . 6 1 1 A 74 74 THR N N 74 114.866 114.932 -0.066 1
1 933 . 6 1 1 A 75 75 VAL H H 75 8.087 8.042 0.045 1
1 934 . 6 1 1 A 75 75 VAL HA H 75 3.305 3.550 -0.245 1
1 942 . 6 1 1 A 75 75 VAL C C 75 177.048 178.037 -0.989 1
1 943 . 6 1 1 A 75 75 VAL CA C 75 67.681 66.499 1.182 1
1 944 . 6 1 1 A 75 75 VAL CB C 75 30.831 31.129 -0.298 1
1 947 . 6 1 1 A 75 75 VAL N N 75 123.901 121.573 2.328 1
1 948 . 6 1 1 A 76 76 GLY H H 76 7.673 8.287 -0.614 1
1 949 . 6 1 1 A 76 76 GLY HA2 H 76 2.235 3.391 -1.156 1
1 950 . 6 1 1 A 76 76 GLY HA3 H 76 3.003 3.695 -0.692 1
1 951 . 6 1 1 A 76 76 GLY C C 76 176.562 175.402 1.160 1
1 952 . 6 1 1 A 76 76 GLY CA C 76 46.293 46.877 -0.584 1
1 953 . 6 1 1 A 76 76 GLY N N 76 102.438 107.797 -5.359 1
1 954 . 6 1 1 A 77 77 ARG H H 77 7.760 7.717 0.043 1
1 955 . 6 1 1 A 77 77 ARG HA H 77 3.982 4.044 -0.062 1
1 962 . 6 1 1 A 77 77 ARG C C 77 180.332 178.603 1.729 1
1 963 . 6 1 1 A 77 77 ARG CA C 77 59.550 58.208 1.342 1
1 964 . 6 1 1 A 77 77 ARG CB C 77 30.085 29.653 0.432 1
1 967 . 6 1 1 A 77 77 ARG N N 77 122.228 121.756 0.472 1
1 968 . 6 1 1 A 78 78 ASN H H 78 8.230 7.813 0.417 1
1 969 . 6 1 1 A 78 78 ASN HA H 78 4.397 4.397 0.000 1
1 974 . 6 1 1 A 78 78 ASN C C 78 176.105 176.839 -0.734 1
1 975 . 6 1 1 A 78 78 ASN CA C 78 55.615 56.076 -0.461 1
1 976 . 6 1 1 A 78 78 ASN CB C 78 38.806 38.730 0.076 1
1 978 . 6 1 1 A 78 78 ASN N N 78 119.139 118.569 0.570 1
1 980 . 6 1 1 A 79 79 VAL H H 79 7.323 7.248 0.075 1
1 981 . 6 1 1 A 79 79 VAL HA H 79 4.438 4.083 0.355 1
1 989 . 6 1 1 A 79 79 VAL C C 79 174.220 175.676 -1.456 1
1 990 . 6 1 1 A 79 79 VAL CA C 79 59.911 60.970 -1.059 1
1 991 . 6 1 1 A 79 79 VAL CB C 79 31.400 31.200 0.200 1
1 994 . 6 1 1 A 79 79 VAL N N 79 108.664 111.456 -2.792 1
1 995 . 6 1 1 A 80 80 GLY H H 80 7.286 7.822 -0.536 1
1 996 . 6 1 1 A 80 80 GLY HA2 H 80 3.540 3.685 -0.145 1
1 997 . 6 1 1 A 80 80 GLY HA3 H 80 4.023 3.788 0.235 1
1 998 . 6 1 1 A 80 80 GLY C C 80 174.383 174.259 0.124 1
1 999 . 6 1 1 A 80 80 GLY CA C 80 45.739 45.334 0.405 1
1 1000 . 6 1 1 A 80 80 GLY N N 80 104.635 109.862 -5.227 1
1 1001 . 6 1 1 A 81 81 PHE H H 81 8.535 7.670 0.865 1
1 1002 . 6 1 1 A 81 81 PHE HA H 81 4.845 4.338 0.507 1
1 1010 . 6 1 1 A 81 81 PHE C C 81 174.570 175.630 -1.060 1
1 1011 . 6 1 1 A 81 81 PHE CA C 81 56.375 58.506 -2.131 1
1 1012 . 6 1 1 A 81 81 PHE CB C 81 39.941 39.401 0.540 1
1 1018 . 6 1 1 A 81 81 PHE N N 81 119.772 119.056 0.716 1
1 1019 . 6 1 1 A 82 82 ASP H H 82 8.564 8.894 -0.330 1
1 1020 . 6 1 1 A 82 82 ASP HA H 82 4.491 4.547 -0.056 1
1 1023 . 6 1 1 A 82 82 ASP C C 82 175.170 175.937 -0.767 1
1 1024 . 6 1 1 A 82 82 ASP CA C 82 55.195 55.521 -0.326 1
1 1025 . 6 1 1 A 82 82 ASP CB C 82 41.010 41.379 -0.369 1
1 1026 . 6 1 1 A 82 82 ASP N N 82 123.028 123.322 -0.294 1
1 1027 . 6 1 1 A 83 83 ASP H H 83 7.789 7.628 0.161 1
1 1028 . 6 1 1 A 83 83 ASP HA H 83 4.947 4.825 0.122 1
1 1031 . 6 1 1 A 83 83 ASP C C 83 176.347 177.115 -0.768 1
1 1032 . 6 1 1 A 83 83 ASP CA C 83 52.690 54.131 -1.441 1
1 1033 . 6 1 1 A 83 83 ASP CB C 83 43.152 41.468 1.684 1
1 1034 . 6 1 1 A 83 83 ASP N N 83 118.576 120.550 -1.974 1
1 1035 . 6 1 1 A 84 84 GLN H H 84 9.104 8.743 0.361 1
1 1036 . 6 1 1 A 84 84 GLN HA H 84 4.333 4.154 0.179 1
1 1043 . 6 1 1 A 84 84 GLN C C 84 177.986 178.156 -0.170 1
1 1044 . 6 1 1 A 84 84 GLN CA C 84 58.909 58.727 0.182 1
1 1045 . 6 1 1 A 84 84 GLN CB C 84 28.267 27.867 0.400 1
1 1048 . 6 1 1 A 84 84 GLN N N 84 126.543 124.419 2.124 1
1 1050 . 6 1 1 A 85 85 LEU H H 85 8.419 8.161 0.258 1
1 1051 . 6 1 1 A 85 85 LEU HA H 85 4.210 4.123 0.087 1
1 1061 . 6 1 1 A 85 85 LEU C C 85 179.472 178.897 0.575 1
1 1062 . 6 1 1 A 85 85 LEU CA C 85 57.958 57.632 0.326 1
1 1063 . 6 1 1 A 85 85 LEU CB C 85 40.678 41.969 -1.291 1
1 1067 . 6 1 1 A 85 85 LEU N N 85 123.486 121.531 1.955 1
1 1068 . 6 1 1 A 86 86 TYR H H 86 8.042 8.432 -0.390 1
1 1069 . 6 1 1 A 86 86 TYR HA H 86 4.288 3.988 0.300 1
1 1076 . 6 1 1 A 86 86 TYR C C 86 177.195 177.023 0.172 1
1 1077 . 6 1 1 A 86 86 TYR CA C 86 60.367 61.616 -1.249 1
1 1078 . 6 1 1 A 86 86 TYR CB C 86 38.184 38.226 -0.042 1
1 1083 . 6 1 1 A 86 86 TYR N N 86 122.679 119.929 2.750 1
1 1084 . 6 1 1 A 87 87 PHE H H 87 8.219 8.076 0.143 1
1 1085 . 6 1 1 A 87 87 PHE HA H 87 3.261 3.851 -0.590 1
1 1093 . 6 1 1 A 87 87 PHE C C 87 175.875 177.908 -2.033 1
1 1094 . 6 1 1 A 87 87 PHE CA C 87 58.536 62.108 -3.572 1
1 1095 . 6 1 1 A 87 87 PHE CB C 87 38.124 39.432 -1.308 1
1 1101 . 6 1 1 A 87 87 PHE N N 87 116.536 118.447 -1.911 1
1 1102 . 6 1 1 A 88 88 SER H H 88 8.082 8.300 -0.218 1
1 1103 . 6 1 1 A 88 88 SER HA H 88 3.951 4.029 -0.078 1
1 1105 . 6 1 1 A 88 88 SER C C 88 175.926 177.019 -1.093 1
1 1106 . 6 1 1 A 88 88 SER CA C 88 62.398 61.577 0.821 1
1 1107 . 6 1 1 A 88 88 SER N N 88 112.937 113.952 -1.015 1
1 1108 . 6 1 1 A 89 89 ARG H H 89 7.843 7.957 -0.114 1
1 1109 . 6 1 1 A 89 89 ARG HA H 89 3.975 4.005 -0.030 1
1 1116 . 6 1 1 A 89 89 ARG C C 89 179.414 178.722 0.692 1
1 1117 . 6 1 1 A 89 89 ARG CA C 89 59.452 59.096 0.356 1
1 1118 . 6 1 1 A 89 89 ARG CB C 89 30.242 29.937 0.305 1
1 1121 . 6 1 1 A 89 89 ARG N N 89 121.621 122.108 -0.487 1
1 1122 . 6 1 1 A 90 90 VAL H H 90 8.235 7.571 0.664 1
1 1123 . 6 1 1 A 90 90 VAL HA H 90 3.530 3.411 0.119 1
1 1131 . 6 1 1 A 90 90 VAL C C 90 177.752 177.944 -0.192 1
1 1132 . 6 1 1 A 90 90 VAL CA C 90 66.208 66.101 0.107 1
1 1133 . 6 1 1 A 90 90 VAL CB C 90 31.649 31.688 -0.039 1
1 1136 . 6 1 1 A 90 90 VAL N N 90 122.095 119.751 2.344 1
1 1137 . 6 1 1 A 91 91 PHE H H 91 8.763 8.554 0.209 1
1 1138 . 6 1 1 A 91 91 PHE HA H 91 3.584 3.895 -0.311 1
1 1141 . 6 1 1 A 91 91 PHE C C 91 178.386 177.337 1.049 1
1 1142 . 6 1 1 A 91 91 PHE CA C 91 62.523 60.416 2.107 1
1 1143 . 6 1 1 A 91 91 PHE CB C 91 39.528 38.328 1.200 1
1 1144 . 6 1 1 A 91 91 PHE N N 91 121.769 119.983 1.786 1
1 1145 . 6 1 1 A 92 92 LYS H H 92 8.237 8.381 -0.144 1
1 1146 . 6 1 1 A 92 92 LYS HA H 92 4.217 4.231 -0.014 1
1 1153 . 6 1 1 A 92 92 LYS C C 92 179.621 179.324 0.297 1
1 1154 . 6 1 1 A 92 92 LYS CA C 92 58.597 59.988 -1.391 1
1 1155 . 6 1 1 A 92 92 LYS CB C 92 32.290 32.600 -0.310 1
1 1159 . 6 1 1 A 92 92 LYS N N 92 121.441 118.239 3.202 1
1 1160 . 6 1 1 A 93 93 LYS H H 93 8.013 7.572 0.441 1
1 1161 . 6 1 1 A 93 93 LYS HA H 93 3.956 4.042 -0.086 1
1 1169 . 6 1 1 A 93 93 LYS C C 93 178.611 179.264 -0.653 1
1 1170 . 6 1 1 A 93 93 LYS CA C 93 59.356 58.957 0.399 1
1 1171 . 6 1 1 A 93 93 LYS CB C 93 31.785 31.701 0.084 1
1 1175 . 6 1 1 A 93 93 LYS N N 93 122.286 118.175 4.111 1
1 1176 . 6 1 1 A 94 94 CYS H H 94 7.818 7.823 -0.005 1
1 1177 . 6 1 1 A 94 94 CYS HA H 94 4.224 4.054 0.170 1
1 1180 . 6 1 1 A 94 94 CYS C C 94 176.440 176.241 0.199 1
1 1181 . 6 1 1 A 94 94 CYS CA C 94 62.517 62.644 -0.127 1
1 1182 . 6 1 1 A 94 94 CYS CB C 94 28.104 27.152 0.952 1
1 1183 . 6 1 1 A 94 94 CYS N N 94 113.581 118.514 -4.933 1
1 1184 . 6 1 1 A 95 95 THR H H 95 8.038 7.208 0.830 1
1 1185 . 6 1 1 A 95 95 THR HA H 95 4.397 4.371 0.026 1
1 1190 . 6 1 1 A 95 95 THR C C 95 176.237 175.839 0.398 1
1 1191 . 6 1 1 A 95 95 THR CA C 95 62.507 61.711 0.796 1
1 1192 . 6 1 1 A 95 95 THR CB C 95 71.481 70.424 1.057 1
1 1194 . 6 1 1 A 95 95 THR N N 95 106.903 108.390 -1.487 1
1 1195 . 6 1 1 A 96 96 GLY H H 96 8.526 8.887 -0.361 1
1 1196 . 6 1 1 A 96 96 GLY HA2 H 96 3.724 3.834 -0.110 1
1 1197 . 6 1 1 A 96 96 GLY HA3 H 96 4.374 3.849 0.525 1
1 1198 . 6 1 1 A 96 96 GLY C C 96 172.550 173.332 -0.782 1
1 1199 . 6 1 1 A 96 96 GLY CA C 96 45.264 45.276 -0.012 1
1 1200 . 6 1 1 A 96 96 GLY N N 96 112.762 111.536 1.226 1
1 1201 . 6 1 1 A 97 97 ALA H H 97 8.560 7.042 1.518 1
1 1202 . 6 1 1 A 97 97 ALA HA H 97 4.841 4.805 0.036 1
1 1206 . 6 1 1 A 97 97 ALA C C 97 175.280 176.170 -0.890 1
1 1207 . 6 1 1 A 97 97 ALA CA C 97 50.176 51.050 -0.874 1
1 1208 . 6 1 1 A 97 97 ALA CB C 97 22.551 22.937 -0.386 1
1 1209 . 6 1 1 A 97 97 ALA N N 97 125.656 120.857 4.799 1
1 1210 . 6 1 1 A 98 98 SER H H 98 8.817 8.673 0.144 1
1 1211 . 6 1 1 A 98 98 SER HA H 98 4.656 4.799 -0.143 1
1 1212 . 6 1 1 A 98 98 SER CA C 98 56.612 56.900 -0.288 1
1 1213 . 6 1 1 A 98 98 SER N N 98 114.919 115.059 -0.140 1
1 1214 . 6 1 1 A 99 99 PRO HA H 99 3.500 4.497 -0.997 1
1 1220 . 6 1 1 A 99 99 PRO C C 99 177.585 178.470 -0.885 1
1 1221 . 6 1 1 A 99 99 PRO CA C 99 66.202 64.608 1.594 1
1 1222 . 6 1 1 A 99 99 PRO CB C 99 32.030 31.880 0.150 1
1 1225 . 6 1 1 A 100 100 SER H H 100 8.254 8.449 -0.195 1
1 1226 . 6 1 1 A 100 100 SER HA H 100 4.029 4.233 -0.204 1
1 1227 . 6 1 1 A 100 100 SER C C 100 177.441 176.357 1.084 1
1 1228 . 6 1 1 A 100 100 SER CA C 100 61.891 61.503 0.388 1
1 1229 . 6 1 1 A 100 100 SER N N 100 111.230 114.458 -3.228 1
1 1230 . 6 1 1 A 101 101 GLU H H 101 7.848 7.933 -0.085 1
1 1231 . 6 1 1 A 101 101 GLU HA H 101 4.021 4.084 -0.063 1
1 1236 . 6 1 1 A 101 101 GLU C C 101 179.288 178.735 0.553 1
1 1237 . 6 1 1 A 101 101 GLU CA C 101 58.822 59.384 -0.562 1
1 1238 . 6 1 1 A 101 101 GLU CB C 101 29.846 29.691 0.155 1
1 1240 . 6 1 1 A 101 101 GLU N N 101 125.150 121.878 3.272 1
1 1241 . 6 1 1 A 102 102 PHE H H 102 8.923 8.139 0.784 1
1 1242 . 6 1 1 A 102 102 PHE HA H 102 4.155 4.143 0.012 1
1 1245 . 6 1 1 A 102 102 PHE C C 102 178.343 177.831 0.512 1
1 1246 . 6 1 1 A 102 102 PHE CA C 102 61.315 61.708 -0.393 1
1 1247 . 6 1 1 A 102 102 PHE CB C 102 40.083 39.526 0.557 1
1 1248 . 6 1 1 A 102 102 PHE N N 102 121.281 120.739 0.542 1
1 1249 . 6 1 1 A 103 103 ARG H H 103 8.210 8.420 -0.210 1
1 1250 . 6 1 1 A 103 103 ARG HA H 103 3.830 4.187 -0.357 1
1 1257 . 6 1 1 A 103 103 ARG C C 103 177.602 178.272 -0.670 1
1 1258 . 6 1 1 A 103 103 ARG CA C 103 59.235 59.555 -0.320 1
1 1261 . 6 1 1 A 103 103 ARG N N 103 119.223 119.340 -0.117 1
1 1262 . 6 1 1 A 104 104 ALA H H 104 7.905 7.262 0.643 1
1 1263 . 6 1 1 A 104 104 ALA HA H 104 4.186 4.311 -0.125 1
1 1267 . 6 1 1 A 104 104 ALA C C 104 179.126 177.873 1.253 1
1 1268 . 6 1 1 A 104 104 ALA CA C 104 54.188 52.339 1.849 1
1 1269 . 6 1 1 A 104 104 ALA CB C 104 18.254 19.634 -1.380 1
1 1270 . 6 1 1 A 104 104 ALA N N 104 120.546 118.870 1.676 1
1 1271 . 6 1 1 A 105 105 GLY H H 105 7.676 7.981 -0.305 1
1 1272 . 6 1 1 A 105 105 GLY HA2 H 105 3.849 3.791 0.058 1
1 1273 . 6 1 1 A 105 105 GLY HA3 H 105 4.052 3.860 0.192 1
1 1274 . 6 1 1 A 105 105 GLY C C 105 174.515 174.372 0.143 1
1 1275 . 6 1 1 A 105 105 GLY CA C 105 45.317 45.506 -0.189 1
1 1276 . 6 1 1 A 105 105 GLY N N 105 104.677 107.019 -2.342 1
1 1277 . 6 1 1 A 106 106 CYS H H 106 7.599 7.630 -0.031 1
1 1278 . 6 1 1 A 106 106 CYS HA H 106 4.447 4.472 -0.025 1
1 1281 . 6 1 1 A 106 106 CYS C C 106 173.823 173.959 -0.136 1
1 1282 . 6 1 1 A 106 106 CYS CA C 106 59.123 59.461 -0.338 1
1 1283 . 6 1 1 A 106 106 CYS CB C 106 28.004 28.474 -0.470 1
1 1284 . 6 1 1 A 106 106 CYS N N 106 118.321 119.800 -1.479 1
1 14 . 7 1 1 A 2 2 ASP H H 2 8.989 8.749 0.240 1
1 15 . 7 1 1 A 2 2 ASP HA H 2 4.662 4.774 -0.112 1
1 18 . 7 1 1 A 2 2 ASP C C 2 177.024 177.039 -0.015 1
1 19 . 7 1 1 A 2 2 ASP CA C 2 54.092 53.648 0.444 1
1 20 . 7 1 1 A 2 2 ASP CB C 2 42.743 41.823 0.920 1
1 21 . 7 1 1 A 2 2 ASP N N 2 126.287 124.931 1.356 1
1 22 . 7 1 1 A 3 3 ASN H H 3 9.165 8.998 0.167 1
1 23 . 7 1 1 A 3 3 ASN HA H 3 4.446 4.346 0.100 1
1 28 . 7 1 1 A 3 3 ASN C C 3 177.306 177.597 -0.291 1
1 29 . 7 1 1 A 3 3 ASN CA C 3 56.355 55.745 0.610 1
1 30 . 7 1 1 A 3 3 ASN CB C 3 38.382 37.490 0.892 1
1 32 . 7 1 1 A 3 3 ASN N N 3 124.055 119.591 4.464 1
1 34 . 7 1 1 A 4 4 ARG H H 4 9.092 7.871 1.221 1
1 35 . 7 1 1 A 4 4 ARG HA H 4 4.183 4.012 0.171 1
1 42 . 7 1 1 A 4 4 ARG C C 4 178.824 178.837 -0.013 1
1 43 . 7 1 1 A 4 4 ARG CA C 4 59.401 59.578 -0.177 1
1 44 . 7 1 1 A 4 4 ARG CB C 4 29.437 30.267 -0.830 1
1 47 . 7 1 1 A 4 4 ARG N N 4 119.970 119.294 0.676 1
1 48 . 7 1 1 A 5 5 VAL H H 5 7.588 7.971 -0.383 1
1 49 . 7 1 1 A 5 5 VAL HA H 5 3.458 3.561 -0.103 1
1 57 . 7 1 1 A 5 5 VAL C C 5 177.573 177.735 -0.162 1
1 58 . 7 1 1 A 5 5 VAL CA C 5 66.543 66.597 -0.054 1
1 59 . 7 1 1 A 5 5 VAL CB C 5 31.294 31.314 -0.020 1
1 62 . 7 1 1 A 5 5 VAL N N 5 119.312 119.307 0.005 1
1 63 . 7 1 1 A 6 6 ARG H H 6 7.920 8.344 -0.424 1
1 64 . 7 1 1 A 6 6 ARG HA H 6 3.860 3.821 0.039 1
1 71 . 7 1 1 A 6 6 ARG C C 6 179.380 179.096 0.284 1
1 72 . 7 1 1 A 6 6 ARG CA C 6 60.197 59.849 0.348 1
1 73 . 7 1 1 A 6 6 ARG CB C 6 29.818 29.735 0.083 1
1 76 . 7 1 1 A 6 6 ARG N N 6 120.863 119.723 1.140 1
1 77 . 7 1 1 A 7 7 GLU H H 7 8.262 8.065 0.197 1
1 78 . 7 1 1 A 7 7 GLU HA H 7 4.241 4.140 0.101 1
1 83 . 7 1 1 A 7 7 GLU C C 7 179.131 179.013 0.118 1
1 84 . 7 1 1 A 7 7 GLU CA C 7 58.770 59.326 -0.556 1
1 85 . 7 1 1 A 7 7 GLU CB C 7 28.883 29.895 -1.012 1
1 87 . 7 1 1 A 7 7 GLU N N 7 119.166 118.688 0.478 1
1 88 . 7 1 1 A 8 8 ALA H H 8 8.421 7.890 0.531 1
1 89 . 7 1 1 A 8 8 ALA HA H 8 4.046 4.418 -0.372 1
1 93 . 7 1 1 A 8 8 ALA C C 8 179.202 180.541 -1.339 1
1 94 . 7 1 1 A 8 8 ALA CA C 8 55.610 55.274 0.336 1
1 95 . 7 1 1 A 8 8 ALA CB C 8 18.512 18.593 -0.081 1
1 96 . 7 1 1 A 8 8 ALA N N 8 123.947 122.987 0.960 1
1 97 . 7 1 1 A 9 9 CYS H H 9 8.490 8.157 0.333 1
1 98 . 7 1 1 A 9 9 CYS HA H 9 3.767 4.454 -0.687 1
1 101 . 7 1 1 A 9 9 CYS C C 9 176.858 177.557 -0.699 1
1 102 . 7 1 1 A 9 9 CYS CA C 9 64.480 63.442 1.038 1
1 103 . 7 1 1 A 9 9 CYS CB C 9 26.690 27.457 -0.767 1
1 104 . 7 1 1 A 9 9 CYS N N 9 116.232 116.554 -0.322 1
1 105 . 7 1 1 A 10 10 GLN H H 10 8.088 7.835 0.253 1
1 106 . 7 1 1 A 10 10 GLN HA H 10 4.022 4.181 -0.159 1
1 113 . 7 1 1 A 10 10 GLN C C 10 177.140 178.384 -1.244 1
1 114 . 7 1 1 A 10 10 GLN CA C 10 58.804 59.288 -0.484 1
1 115 . 7 1 1 A 10 10 GLN CB C 10 28.299 28.412 -0.113 1
1 118 . 7 1 1 A 10 10 GLN N N 10 120.817 119.634 1.183 1
1 120 . 7 1 1 A 11 11 TYR H H 11 8.367 7.948 0.419 1
1 121 . 7 1 1 A 11 11 TYR HA H 11 4.308 4.207 0.101 1
1 128 . 7 1 1 A 11 11 TYR C C 11 178.986 177.115 1.871 1
1 129 . 7 1 1 A 11 11 TYR CA C 11 61.850 61.345 0.505 1
1 130 . 7 1 1 A 11 11 TYR CB C 11 38.653 38.856 -0.203 1
1 135 . 7 1 1 A 11 11 TYR N N 11 120.419 122.485 -2.066 1
1 136 . 7 1 1 A 12 12 ILE H H 12 8.886 8.334 0.552 1
1 137 . 7 1 1 A 12 12 ILE HA H 12 3.700 3.582 0.118 1
1 147 . 7 1 1 A 12 12 ILE C C 12 179.352 178.077 1.275 1
1 148 . 7 1 1 A 12 12 ILE CA C 12 65.621 65.304 0.317 1
1 149 . 7 1 1 A 12 12 ILE CB C 12 38.203 38.077 0.126 1
1 153 . 7 1 1 A 12 12 ILE N N 12 119.720 121.543 -1.823 1
1 154 . 7 1 1 A 13 13 SER H H 13 8.740 7.944 0.796 1
1 155 . 7 1 1 A 13 13 SER HA H 13 4.753 4.036 0.717 1
1 158 . 7 1 1 A 13 13 SER C C 13 176.355 176.821 -0.466 1
1 159 . 7 1 1 A 13 13 SER CA C 13 62.551 61.270 1.281 1
1 160 . 7 1 1 A 13 13 SER CB C 13 62.468 63.159 -0.691 1
1 161 . 7 1 1 A 13 13 SER N N 13 116.217 116.680 -0.463 1
1 162 . 7 1 1 A 14 14 ASP H H 14 8.426 7.968 0.458 1
1 163 . 7 1 1 A 14 14 ASP HA H 14 4.438 4.321 0.117 1
1 166 . 7 1 1 A 14 14 ASP C C 14 176.838 177.641 -0.803 1
1 167 . 7 1 1 A 14 14 ASP CA C 14 55.988 56.963 -0.975 1
1 168 . 7 1 1 A 14 14 ASP CB C 14 40.500 40.959 -0.459 1
1 169 . 7 1 1 A 14 14 ASP N N 14 121.201 121.491 -0.290 1
1 170 . 7 1 1 A 15 15 HIS H H 15 7.530 7.387 0.143 1
1 171 . 7 1 1 A 15 15 HIS HA H 15 4.661 4.615 0.046 1
1 176 . 7 1 1 A 15 15 HIS C C 15 175.451 175.508 -0.057 1
1 177 . 7 1 1 A 15 15 HIS CA C 15 55.320 55.712 -0.392 1
1 178 . 7 1 1 A 15 15 HIS CB C 15 28.275 29.279 -1.004 1
1 181 . 7 1 1 A 15 15 HIS N N 15 116.777 115.179 1.598 1
1 182 . 7 1 1 A 16 16 LEU H H 16 7.271 7.435 -0.164 1
1 183 . 7 1 1 A 16 16 LEU HA H 16 3.812 3.797 0.015 1
1 193 . 7 1 1 A 16 16 LEU C C 16 176.627 178.191 -1.564 1
1 194 . 7 1 1 A 16 16 LEU CA C 16 58.076 57.666 0.410 1
1 195 . 7 1 1 A 16 16 LEU CB C 16 42.531 41.410 1.121 1
1 199 . 7 1 1 A 16 16 LEU N N 16 122.531 122.404 0.127 1
1 200 . 7 1 1 A 17 17 ALA H H 17 8.243 7.228 1.015 1
1 201 . 7 1 1 A 17 17 ALA HA H 17 3.937 4.234 -0.297 1
1 205 . 7 1 1 A 17 17 ALA C C 17 177.131 177.023 0.108 1
1 206 . 7 1 1 A 17 17 ALA CA C 17 51.802 51.794 0.008 1
1 207 . 7 1 1 A 17 17 ALA CB C 17 18.473 20.102 -1.629 1
1 208 . 7 1 1 A 17 17 ALA N N 17 116.354 119.408 -3.054 1
1 209 . 7 1 1 A 18 18 ASP H H 18 7.488 7.480 0.008 1
1 210 . 7 1 1 A 18 18 ASP HA H 18 4.455 4.419 0.036 1
1 213 . 7 1 1 A 18 18 ASP C C 18 177.370 176.176 1.194 1
1 214 . 7 1 1 A 18 18 ASP CA C 18 54.571 54.429 0.142 1
1 215 . 7 1 1 A 18 18 ASP CB C 18 40.521 42.811 -2.290 1
1 216 . 7 1 1 A 18 18 ASP N N 18 119.230 118.791 0.439 1
1 217 . 7 1 1 A 19 19 SER H H 19 8.793 8.744 0.049 1
1 218 . 7 1 1 A 19 19 SER HA H 19 4.424 4.550 -0.126 1
1 221 . 7 1 1 A 19 19 SER C C 19 174.779 174.961 -0.182 1
1 222 . 7 1 1 A 19 19 SER CA C 19 59.706 60.840 -1.134 1
1 223 . 7 1 1 A 19 19 SER CB C 19 63.351 63.733 -0.382 1
1 224 . 7 1 1 A 19 19 SER N N 19 119.892 118.243 1.649 1
1 225 . 7 1 1 A 20 20 ASN H H 20 8.520 7.964 0.556 1
1 226 . 7 1 1 A 20 20 ASN HA H 20 4.869 4.951 -0.082 1
1 231 . 7 1 1 A 20 20 ASN C C 20 173.838 174.179 -0.341 1
1 232 . 7 1 1 A 20 20 ASN CA C 20 52.586 53.027 -0.441 1
1 233 . 7 1 1 A 20 20 ASN CB C 20 38.799 38.585 0.214 1
1 235 . 7 1 1 A 20 20 ASN N N 20 119.769 118.460 1.309 1
1 237 . 7 1 1 A 21 21 PHE H H 21 8.082 9.138 -1.056 1
1 238 . 7 1 1 A 21 21 PHE HA H 21 4.397 4.867 -0.470 1
1 246 . 7 1 1 A 21 21 PHE C C 21 173.520 173.830 -0.310 1
1 247 . 7 1 1 A 21 21 PHE CA C 21 58.672 57.968 0.704 1
1 248 . 7 1 1 A 21 21 PHE CB C 21 40.704 40.477 0.227 1
1 254 . 7 1 1 A 21 21 PHE N N 21 121.875 126.484 -4.609 1
1 255 . 7 1 1 A 22 22 ASP H H 22 7.570 8.194 -0.624 1
1 256 . 7 1 1 A 22 22 ASP HA H 22 4.563 4.606 -0.043 1
1 259 . 7 1 1 A 22 22 ASP C C 22 175.674 175.538 0.136 1
1 260 . 7 1 1 A 22 22 ASP CA C 22 52.049 51.974 0.075 1
1 261 . 7 1 1 A 22 22 ASP CB C 22 43.023 41.381 1.642 1
1 262 . 7 1 1 A 22 22 ASP N N 22 126.780 127.061 -0.281 1
1 263 . 7 1 1 A 23 23 ILE H H 23 8.720 7.950 0.770 1
1 264 . 7 1 1 A 23 23 ILE HA H 23 3.555 3.571 -0.016 1
1 274 . 7 1 1 A 23 23 ILE C C 23 176.441 177.336 -0.895 1
1 275 . 7 1 1 A 23 23 ILE CA C 23 63.650 63.170 0.480 1
1 276 . 7 1 1 A 23 23 ILE CB C 23 37.741 37.949 -0.208 1
1 280 . 7 1 1 A 23 23 ILE N N 23 124.815 125.989 -1.174 1
1 281 . 7 1 1 A 24 24 ALA H H 24 8.543 8.202 0.341 1
1 282 . 7 1 1 A 24 24 ALA HA H 24 3.917 3.995 -0.078 1
1 286 . 7 1 1 A 24 24 ALA C C 24 180.227 179.591 0.636 1
1 287 . 7 1 1 A 24 24 ALA CA C 24 55.413 55.347 0.066 1
1 288 . 7 1 1 A 24 24 ALA CB C 24 17.760 17.962 -0.202 1
1 289 . 7 1 1 A 24 24 ALA N N 24 123.943 124.399 -0.456 1
1 290 . 7 1 1 A 25 25 SER H H 25 7.844 7.712 0.132 1
1 291 . 7 1 1 A 25 25 SER HA H 25 4.246 4.009 0.237 1
1 293 . 7 1 1 A 25 25 SER C C 25 176.667 176.120 0.547 1
1 294 . 7 1 1 A 25 25 SER CA C 25 61.238 61.509 -0.271 1
1 295 . 7 1 1 A 25 25 SER CB C 25 62.402 62.758 -0.356 1
1 296 . 7 1 1 A 25 25 SER N N 25 114.143 113.402 0.741 1
1 297 . 7 1 1 A 26 26 VAL H H 26 7.086 7.901 -0.815 1
1 298 . 7 1 1 A 26 26 VAL HA H 26 3.198 3.472 -0.274 1
1 306 . 7 1 1 A 26 26 VAL C C 26 176.670 178.065 -1.395 1
1 307 . 7 1 1 A 26 26 VAL CA C 26 64.809 66.636 -1.827 1
1 308 . 7 1 1 A 26 26 VAL CB C 26 31.274 31.585 -0.311 1
1 311 . 7 1 1 A 26 26 VAL N N 26 122.369 121.999 0.370 1
1 312 . 7 1 1 A 27 27 ALA H H 27 8.043 7.800 0.243 1
1 313 . 7 1 1 A 27 27 ALA HA H 27 3.775 3.972 -0.197 1
1 317 . 7 1 1 A 27 27 ALA C C 27 178.948 179.460 -0.512 1
1 318 . 7 1 1 A 27 27 ALA CA C 27 55.507 55.548 -0.041 1
1 319 . 7 1 1 A 27 27 ALA CB C 27 17.412 17.784 -0.372 1
1 320 . 7 1 1 A 27 27 ALA N N 27 122.045 121.935 0.110 1
1 321 . 7 1 1 A 28 28 GLN H H 28 8.089 8.018 0.071 1
1 322 . 7 1 1 A 28 28 GLN HA H 28 4.053 4.037 0.016 1
1 329 . 7 1 1 A 28 28 GLN C C 28 179.289 178.419 0.870 1
1 330 . 7 1 1 A 28 28 GLN CA C 28 58.625 58.732 -0.107 1
1 331 . 7 1 1 A 28 28 GLN CB C 28 28.155 28.216 -0.061 1
1 334 . 7 1 1 A 28 28 GLN N N 28 116.168 118.499 -2.331 1
1 336 . 7 1 1 A 29 29 HIS H H 29 7.454 8.044 -0.590 1
1 337 . 7 1 1 A 29 29 HIS HA H 29 4.209 4.077 0.132 1
1 342 . 7 1 1 A 29 29 HIS C C 29 175.895 176.832 -0.937 1
1 343 . 7 1 1 A 29 29 HIS CA C 29 59.132 59.280 -0.148 1
1 344 . 7 1 1 A 29 29 HIS CB C 29 28.947 29.620 -0.673 1
1 347 . 7 1 1 A 29 29 HIS N N 29 118.117 120.059 -1.942 1
1 348 . 7 1 1 A 30 30 VAL H H 30 7.309 6.994 0.315 1
1 349 . 7 1 1 A 30 30 VAL HA H 30 4.441 4.073 0.368 1
1 357 . 7 1 1 A 30 30 VAL C C 30 173.598 174.401 -0.803 1
1 358 . 7 1 1 A 30 30 VAL CA C 30 59.948 60.505 -0.557 1
1 359 . 7 1 1 A 30 30 VAL CB C 30 31.067 30.974 0.093 1
1 362 . 7 1 1 A 30 30 VAL N N 30 106.791 109.492 -2.701 1
1 363 . 7 1 1 A 31 31 CYS H H 31 7.837 7.978 -0.141 1
1 364 . 7 1 1 A 31 31 CYS HA H 31 3.929 4.110 -0.181 1
1 367 . 7 1 1 A 31 31 CYS C C 31 173.679 173.151 0.528 1
1 368 . 7 1 1 A 31 31 CYS CA C 31 59.814 60.418 -0.604 1
1 369 . 7 1 1 A 31 31 CYS CB C 31 24.898 25.938 -1.040 1
1 370 . 7 1 1 A 31 31 CYS N N 31 116.363 117.106 -0.743 1
1 371 . 7 1 1 A 32 32 LEU H H 32 8.061 7.930 0.131 1
1 372 . 7 1 1 A 32 32 LEU HA H 32 4.871 4.847 0.024 1
1 382 . 7 1 1 A 32 32 LEU C C 32 176.243 174.995 1.248 1
1 383 . 7 1 1 A 32 32 LEU CA C 32 52.555 53.497 -0.942 1
1 384 . 7 1 1 A 32 32 LEU CB C 32 48.238 46.062 2.176 1
1 388 . 7 1 1 A 32 32 LEU N N 32 118.159 120.327 -2.168 1
1 389 . 7 1 1 A 33 33 SER H H 33 8.221 8.736 -0.515 1
1 390 . 7 1 1 A 33 33 SER N N 33 116.259 119.518 -3.259 1
1 391 . 7 1 1 A 34 34 PRO HA H 34 3.951 4.358 -0.407 1
1 398 . 7 1 1 A 34 34 PRO C C 34 178.473 178.950 -0.477 1
1 399 . 7 1 1 A 34 34 PRO CA C 34 66.404 64.969 1.435 1
1 400 . 7 1 1 A 34 34 PRO CB C 34 31.712 32.011 -0.299 1
1 403 . 7 1 1 A 35 35 SER H H 35 8.343 8.315 0.028 1
1 404 . 7 1 1 A 35 35 SER HA H 35 4.192 4.295 -0.103 1
1 406 . 7 1 1 A 35 35 SER C C 35 177.361 176.778 0.583 1
1 407 . 7 1 1 A 35 35 SER CA C 35 61.358 61.683 -0.325 1
1 408 . 7 1 1 A 35 35 SER CB C 35 62.140 62.850 -0.710 1
1 409 . 7 1 1 A 35 35 SER N N 35 111.653 114.272 -2.619 1
1 410 . 7 1 1 A 36 36 ARG H H 36 7.868 7.981 -0.113 1
1 411 . 7 1 1 A 36 36 ARG HA H 36 4.243 4.097 0.146 1
1 418 . 7 1 1 A 36 36 ARG C C 36 178.850 179.218 -0.368 1
1 419 . 7 1 1 A 36 36 ARG CA C 36 58.714 59.090 -0.376 1
1 420 . 7 1 1 A 36 36 ARG CB C 36 29.804 30.033 -0.229 1
1 423 . 7 1 1 A 36 36 ARG N N 36 124.303 122.012 2.291 1
1 424 . 7 1 1 A 37 37 LEU H H 37 8.593 8.037 0.556 1
1 425 . 7 1 1 A 37 37 LEU HA H 37 4.052 4.132 -0.080 1
1 435 . 7 1 1 A 37 37 LEU C C 37 177.894 178.509 -0.615 1
1 436 . 7 1 1 A 37 37 LEU CA C 37 58.289 58.513 -0.224 1
1 437 . 7 1 1 A 37 37 LEU CB C 37 40.775 42.028 -1.253 1
1 441 . 7 1 1 A 37 37 LEU N N 37 119.319 121.902 -2.583 1
1 442 . 7 1 1 A 38 38 SER H H 38 8.478 8.574 -0.096 1
1 443 . 7 1 1 A 38 38 SER HA H 38 4.066 4.238 -0.172 1
1 444 . 7 1 1 A 38 38 SER C C 38 176.577 176.373 0.204 1
1 445 . 7 1 1 A 38 38 SER CA C 38 62.824 61.553 1.271 1
1 446 . 7 1 1 A 38 38 SER N N 38 113.612 115.038 -1.426 1
1 447 . 7 1 1 A 39 39 HIS H H 39 7.983 7.697 0.286 1
1 448 . 7 1 1 A 39 39 HIS HA H 39 4.403 4.280 0.123 1
1 453 . 7 1 1 A 39 39 HIS C C 39 177.138 176.776 0.362 1
1 454 . 7 1 1 A 39 39 HIS CA C 39 59.316 60.044 -0.728 1
1 455 . 7 1 1 A 39 39 HIS CB C 39 29.226 30.190 -0.964 1
1 458 . 7 1 1 A 39 39 HIS N N 39 119.938 121.928 -1.990 1
1 459 . 7 1 1 A 40 40 LEU H H 40 8.432 8.213 0.219 1
1 460 . 7 1 1 A 40 40 LEU HA H 40 4.045 4.008 0.037 1
1 470 . 7 1 1 A 40 40 LEU C C 40 178.876 179.145 -0.269 1
1 471 . 7 1 1 A 40 40 LEU CA C 40 57.990 57.842 0.148 1
1 472 . 7 1 1 A 40 40 LEU CB C 40 42.609 41.821 0.788 1
1 476 . 7 1 1 A 40 40 LEU N N 40 120.053 118.882 1.171 1
1 477 . 7 1 1 A 41 41 PHE H H 41 8.937 8.808 0.129 1
1 478 . 7 1 1 A 41 41 PHE HA H 41 3.736 3.982 -0.246 1
1 486 . 7 1 1 A 41 41 PHE C C 41 178.022 177.580 0.442 1
1 487 . 7 1 1 A 41 41 PHE CA C 41 62.523 61.913 0.610 1
1 488 . 7 1 1 A 41 41 PHE CB C 41 39.534 39.012 0.522 1
1 494 . 7 1 1 A 41 41 PHE N N 41 120.491 119.664 0.827 1
1 495 . 7 1 1 A 42 42 ARG H H 42 8.009 8.062 -0.053 1
1 496 . 7 1 1 A 42 42 ARG HA H 42 4.021 4.375 -0.354 1
1 502 . 7 1 1 A 42 42 ARG C C 42 179.850 178.970 0.880 1
1 503 . 7 1 1 A 42 42 ARG CA C 42 59.243 58.920 0.323 1
1 504 . 7 1 1 A 42 42 ARG CB C 42 29.748 29.576 0.172 1
1 507 . 7 1 1 A 42 42 ARG N N 42 117.688 118.639 -0.951 1
1 508 . 7 1 1 A 43 43 GLN H H 43 8.286 7.558 0.728 1
1 509 . 7 1 1 A 43 43 GLN HA H 43 4.006 4.083 -0.077 1
1 516 . 7 1 1 A 43 43 GLN C C 43 177.917 178.266 -0.349 1
1 517 . 7 1 1 A 43 43 GLN CA C 43 58.715 58.499 0.216 1
1 518 . 7 1 1 A 43 43 GLN CB C 43 29.345 28.624 0.721 1
1 521 . 7 1 1 A 43 43 GLN N N 43 118.179 118.062 0.117 1
1 523 . 7 1 1 A 44 44 GLN H H 44 8.296 8.190 0.106 1
1 524 . 7 1 1 A 44 44 GLN HA H 44 4.208 4.102 0.106 1
1 531 . 7 1 1 A 44 44 GLN C C 44 177.314 177.454 -0.140 1
1 532 . 7 1 1 A 44 44 GLN CA C 44 57.913 58.071 -0.158 1
1 533 . 7 1 1 A 44 44 GLN CB C 44 29.027 28.712 0.315 1
1 536 . 7 1 1 A 44 44 GLN N N 44 114.928 118.243 -3.315 1
1 538 . 7 1 1 A 45 45 LEU H H 45 8.463 8.003 0.460 1
1 539 . 7 1 1 A 45 45 LEU HA H 45 4.567 4.227 0.340 1
1 549 . 7 1 1 A 45 45 LEU C C 45 178.381 177.053 1.328 1
1 550 . 7 1 1 A 45 45 LEU CA C 45 54.564 55.112 -0.548 1
1 551 . 7 1 1 A 45 45 LEU CB C 45 43.031 42.306 0.725 1
1 555 . 7 1 1 A 45 45 LEU N N 45 117.028 116.860 0.168 1
1 556 . 7 1 1 A 46 46 GLY H H 46 7.852 8.894 -1.042 1
1 557 . 7 1 1 A 46 46 GLY HA2 H 46 4.005 3.870 0.135 1
1 558 . 7 1 1 A 46 46 GLY HA3 H 46 4.167 3.876 0.291 1
1 559 . 7 1 1 A 46 46 GLY C C 46 173.114 173.463 -0.349 1
1 560 . 7 1 1 A 46 46 GLY CA C 46 46.080 45.955 0.125 1
1 561 . 7 1 1 A 46 46 GLY N N 46 108.569 106.622 1.947 1
1 562 . 7 1 1 A 47 47 ILE H H 47 7.281 7.527 -0.246 1
1 563 . 7 1 1 A 47 47 ILE HA H 47 4.735 4.882 -0.147 1
1 573 . 7 1 1 A 47 47 ILE C C 47 172.231 174.767 -2.536 1
1 574 . 7 1 1 A 47 47 ILE CA C 47 59.240 58.810 0.430 1
1 575 . 7 1 1 A 47 47 ILE CB C 47 42.470 42.079 0.391 1
1 579 . 7 1 1 A 47 47 ILE N N 47 115.396 115.873 -0.477 1
1 580 . 7 1 1 A 48 48 SER H H 48 8.298 8.903 -0.605 1
1 581 . 7 1 1 A 48 48 SER HA H 48 4.725 4.757 -0.032 1
1 584 . 7 1 1 A 48 48 SER C C 48 174.600 176.275 -1.675 1
1 585 . 7 1 1 A 48 48 SER CA C 48 57.092 57.549 -0.457 1
1 586 . 7 1 1 A 48 48 SER CB C 48 65.286 64.596 0.690 1
1 587 . 7 1 1 A 48 48 SER N N 48 115.685 117.855 -2.170 1
1 588 . 7 1 1 A 49 49 VAL H H 49 8.296 8.782 -0.486 1
1 589 . 7 1 1 A 49 49 VAL HA H 49 3.081 3.814 -0.733 1
1 597 . 7 1 1 A 49 49 VAL C C 49 177.888 177.352 0.536 1
1 598 . 7 1 1 A 49 49 VAL CA C 49 65.881 67.477 -1.596 1
1 599 . 7 1 1 A 49 49 VAL CB C 49 31.149 31.525 -0.376 1
1 602 . 7 1 1 A 49 49 VAL N N 49 120.175 122.588 -2.413 1
1 603 . 7 1 1 A 50 50 LEU H H 50 8.138 8.205 -0.067 1
1 604 . 7 1 1 A 50 50 LEU HA H 50 4.011 3.912 0.099 1
1 614 . 7 1 1 A 50 50 LEU C C 50 180.412 179.688 0.724 1
1 615 . 7 1 1 A 50 50 LEU CA C 50 57.962 58.039 -0.077 1
1 616 . 7 1 1 A 50 50 LEU CB C 50 41.224 41.200 0.024 1
1 620 . 7 1 1 A 50 50 LEU N N 50 116.998 119.135 -2.137 1
1 621 . 7 1 1 A 51 51 SER H H 51 8.087 7.917 0.170 1
1 622 . 7 1 1 A 51 51 SER HA H 51 4.279 4.240 0.039 1
1 624 . 7 1 1 A 51 51 SER C C 51 176.081 176.785 -0.704 1
1 625 . 7 1 1 A 51 51 SER CA C 51 62.174 61.290 0.884 1
1 626 . 7 1 1 A 51 51 SER N N 51 117.207 114.771 2.436 1
1 627 . 7 1 1 A 52 52 TRP H H 52 8.913 8.391 0.522 1
1 628 . 7 1 1 A 52 52 TRP HA H 52 4.067 4.230 -0.163 1
1 637 . 7 1 1 A 52 52 TRP C C 52 178.579 178.140 0.439 1
1 638 . 7 1 1 A 52 52 TRP CA C 52 63.288 61.231 2.057 1
1 639 . 7 1 1 A 52 52 TRP CB C 52 29.159 29.921 -0.762 1
1 645 . 7 1 1 A 52 52 TRP N N 52 124.958 123.456 1.502 1
1 647 . 7 1 1 A 53 53 ARG H H 53 8.547 8.169 0.378 1
1 648 . 7 1 1 A 53 53 ARG HA H 53 3.578 3.502 0.076 1
1 654 . 7 1 1 A 53 53 ARG C C 53 177.290 178.703 -1.413 1
1 655 . 7 1 1 A 53 53 ARG CA C 53 60.443 59.452 0.991 1
1 656 . 7 1 1 A 53 53 ARG CB C 53 30.001 29.622 0.379 1
1 659 . 7 1 1 A 53 53 ARG N N 53 118.356 119.094 -0.738 1
1 660 . 7 1 1 A 54 54 GLU H H 54 8.002 7.614 0.388 1
1 661 . 7 1 1 A 54 54 GLU HA H 54 4.016 4.142 -0.126 1
1 666 . 7 1 1 A 54 54 GLU C C 54 178.460 178.669 -0.209 1
1 667 . 7 1 1 A 54 54 GLU CA C 54 59.982 59.547 0.435 1
1 668 . 7 1 1 A 54 54 GLU CB C 54 29.759 29.270 0.489 1
1 670 . 7 1 1 A 54 54 GLU N N 54 118.818 119.050 -0.232 1
1 671 . 7 1 1 A 55 55 ASP H H 55 8.111 8.597 -0.486 1
1 672 . 7 1 1 A 55 55 ASP HA H 55 4.289 4.449 -0.160 1
1 675 . 7 1 1 A 55 55 ASP C C 55 179.313 179.424 -0.111 1
1 676 . 7 1 1 A 55 55 ASP CA C 55 57.131 56.635 0.496 1
1 677 . 7 1 1 A 55 55 ASP CB C 55 40.227 40.136 0.091 1
1 678 . 7 1 1 A 55 55 ASP N N 55 119.156 120.551 -1.395 1
1 679 . 7 1 1 A 56 56 GLN H H 56 8.099 7.791 0.308 1
1 680 . 7 1 1 A 56 56 GLN HA H 56 3.781 3.919 -0.138 1
1 687 . 7 1 1 A 56 56 GLN C C 56 178.700 178.376 0.324 1
1 688 . 7 1 1 A 56 56 GLN CA C 56 57.487 58.707 -1.220 1
1 689 . 7 1 1 A 56 56 GLN CB C 56 27.430 27.812 -0.382 1
1 692 . 7 1 1 A 56 56 GLN N N 56 119.807 119.820 -0.013 1
1 694 . 7 1 1 A 57 57 ARG H H 57 8.240 7.725 0.515 1
1 695 . 7 1 1 A 57 57 ARG HA H 57 3.898 4.020 -0.122 1
1 702 . 7 1 1 A 57 57 ARG C C 57 178.185 178.596 -0.411 1
1 703 . 7 1 1 A 57 57 ARG CA C 57 60.671 59.040 1.631 1
1 704 . 7 1 1 A 57 57 ARG CB C 57 31.221 29.715 1.506 1
1 707 . 7 1 1 A 57 57 ARG N N 57 120.129 119.505 0.624 1
1 708 . 7 1 1 A 58 58 ILE H H 58 7.885 7.761 0.124 1
1 709 . 7 1 1 A 58 58 ILE HA H 58 3.978 4.118 -0.140 1
1 719 . 7 1 1 A 58 58 ILE C C 58 178.357 178.190 0.167 1
1 720 . 7 1 1 A 58 58 ILE CA C 58 61.684 65.398 -3.714 1
1 721 . 7 1 1 A 58 58 ILE CB C 58 34.538 37.862 -3.324 1
1 725 . 7 1 1 A 58 58 ILE N N 58 118.096 121.505 -3.409 1
1 726 . 7 1 1 A 59 59 SER H H 59 8.563 7.805 0.758 1
1 727 . 7 1 1 A 59 59 SER HA H 59 4.010 4.049 -0.039 1
1 728 . 7 1 1 A 59 59 SER C C 59 177.731 177.283 0.448 1
1 729 . 7 1 1 A 59 59 SER CA C 59 62.459 61.609 0.850 1
1 730 . 7 1 1 A 59 59 SER N N 59 117.208 116.331 0.877 1
1 731 . 7 1 1 A 60 60 GLN H H 60 8.471 7.561 0.910 1
1 732 . 7 1 1 A 60 60 GLN HA H 60 4.228 4.042 0.186 1
1 739 . 7 1 1 A 60 60 GLN C C 60 177.958 177.564 0.394 1
1 740 . 7 1 1 A 60 60 GLN CA C 60 58.233 58.487 -0.254 1
1 741 . 7 1 1 A 60 60 GLN CB C 60 27.288 28.762 -1.474 1
1 744 . 7 1 1 A 60 60 GLN N N 60 121.780 120.636 1.144 1
1 746 . 7 1 1 A 61 61 ALA H H 61 8.504 8.322 0.182 1
1 747 . 7 1 1 A 61 61 ALA HA H 61 3.947 4.041 -0.094 1
1 751 . 7 1 1 A 61 61 ALA C C 61 179.360 179.665 -0.305 1
1 752 . 7 1 1 A 61 61 ALA CA C 61 55.413 55.293 0.120 1
1 753 . 7 1 1 A 61 61 ALA CB C 61 18.124 18.372 -0.248 1
1 754 . 7 1 1 A 61 61 ALA N N 61 122.352 122.363 -0.011 1
1 755 . 7 1 1 A 62 62 LYS H H 62 8.776 8.140 0.636 1
1 756 . 7 1 1 A 62 62 LYS HA H 62 3.722 4.228 -0.506 1
1 765 . 7 1 1 A 62 62 LYS C C 62 179.330 178.719 0.611 1
1 766 . 7 1 1 A 62 62 LYS CA C 62 60.632 59.261 1.371 1
1 767 . 7 1 1 A 62 62 LYS CB C 62 32.580 31.901 0.679 1
1 771 . 7 1 1 A 62 62 LYS N N 62 117.072 116.715 0.357 1
1 772 . 7 1 1 A 63 63 LEU H H 63 7.670 7.613 0.057 1
1 773 . 7 1 1 A 63 63 LEU HA H 63 4.233 4.043 0.190 1
1 783 . 7 1 1 A 63 63 LEU C C 63 180.902 178.350 2.552 1
1 784 . 7 1 1 A 63 63 LEU CA C 63 58.446 58.064 0.382 1
1 785 . 7 1 1 A 63 63 LEU CB C 63 41.598 41.799 -0.201 1
1 789 . 7 1 1 A 63 63 LEU N N 63 121.196 121.461 -0.265 1
1 790 . 7 1 1 A 64 64 LEU H H 64 8.585 8.297 0.288 1
1 791 . 7 1 1 A 64 64 LEU HA H 64 4.088 4.006 0.082 1
1 801 . 7 1 1 A 64 64 LEU C C 64 180.869 179.182 1.687 1
1 802 . 7 1 1 A 64 64 LEU CA C 64 57.782 58.037 -0.255 1
1 803 . 7 1 1 A 64 64 LEU CB C 64 42.760 41.126 1.634 1
1 807 . 7 1 1 A 64 64 LEU N N 64 121.842 117.302 4.540 1
1 808 . 7 1 1 A 65 65 LEU H H 65 9.100 8.397 0.703 1
1 809 . 7 1 1 A 65 65 LEU HA H 65 4.346 4.307 0.039 1
1 819 . 7 1 1 A 65 65 LEU C C 65 178.659 179.991 -1.332 1
1 820 . 7 1 1 A 65 65 LEU CA C 65 57.408 57.657 -0.249 1
1 821 . 7 1 1 A 65 65 LEU CB C 65 43.013 41.186 1.827 1
1 825 . 7 1 1 A 65 65 LEU N N 65 119.872 120.382 -0.510 1
1 826 . 7 1 1 A 66 66 SER H H 66 8.303 7.699 0.604 1
1 827 . 7 1 1 A 66 66 SER HA H 66 4.211 4.361 -0.150 1
1 829 . 7 1 1 A 66 66 SER C C 66 176.580 175.387 1.193 1
1 830 . 7 1 1 A 66 66 SER CA C 66 60.155 61.943 -1.788 1
1 831 . 7 1 1 A 66 66 SER CB C 66 65.198 63.337 1.861 1
1 832 . 7 1 1 A 66 66 SER N N 66 110.490 115.589 -5.099 1
1 833 . 7 1 1 A 67 67 THR H H 67 7.901 7.694 0.207 1
1 834 . 7 1 1 A 67 67 THR HA H 67 4.812 4.466 0.346 1
1 839 . 7 1 1 A 67 67 THR C C 67 174.240 174.217 0.023 1
1 840 . 7 1 1 A 67 67 THR CA C 67 62.400 62.724 -0.324 1
1 841 . 7 1 1 A 67 67 THR CB C 67 71.512 69.310 2.202 1
1 843 . 7 1 1 A 67 67 THR N N 67 108.414 113.335 -4.921 1
1 844 . 7 1 1 A 68 68 THR H H 68 7.507 7.253 0.254 1
1 845 . 7 1 1 A 68 68 THR HA H 68 5.096 4.802 0.294 1
1 850 . 7 1 1 A 68 68 THR C C 68 174.263 174.041 0.222 1
1 851 . 7 1 1 A 68 68 THR CA C 68 60.124 59.622 0.502 1
1 852 . 7 1 1 A 68 68 THR CB C 68 72.795 71.876 0.919 1
1 854 . 7 1 1 A 68 68 THR N N 68 111.673 112.230 -0.557 1
1 855 . 7 1 1 A 69 69 ARG H H 69 8.767 8.392 0.375 1
1 856 . 7 1 1 A 69 69 ARG HA H 69 4.422 4.677 -0.255 1
1 863 . 7 1 1 A 69 69 ARG C C 69 176.568 176.613 -0.045 1
1 864 . 7 1 1 A 69 69 ARG CA C 69 53.692 55.184 -1.492 1
1 865 . 7 1 1 A 69 69 ARG CB C 69 28.814 30.748 -1.934 1
1 868 . 7 1 1 A 69 69 ARG N N 69 118.034 119.356 -1.322 1
1 869 . 7 1 1 A 70 70 MET H H 70 7.996 7.620 0.376 1
1 870 . 7 1 1 A 70 70 MET HA H 70 4.470 4.525 -0.055 1
1 878 . 7 1 1 A 70 70 MET CA C 70 55.386 55.212 0.174 1
1 879 . 7 1 1 A 70 70 MET CB C 70 34.080 32.260 1.820 1
1 882 . 7 1 1 A 70 70 MET N N 70 122.491 121.242 1.249 1
1 883 . 7 1 1 A 71 71 PRO HA H 71 4.574 4.524 0.050 1
1 890 . 7 1 1 A 71 71 PRO C C 71 177.204 177.103 0.101 1
1 891 . 7 1 1 A 71 71 PRO CA C 71 62.915 62.378 0.537 1
1 892 . 7 1 1 A 71 71 PRO CB C 71 32.380 32.756 -0.376 1
1 895 . 7 1 1 A 72 72 ILE H H 72 8.782 8.380 0.402 1
1 896 . 7 1 1 A 72 72 ILE HA H 72 3.407 3.760 -0.353 1
1 906 . 7 1 1 A 72 72 ILE C C 72 177.760 178.232 -0.472 1
1 907 . 7 1 1 A 72 72 ILE CA C 72 65.627 64.570 1.057 1
1 908 . 7 1 1 A 72 72 ILE CB C 72 36.771 37.744 -0.973 1
1 912 . 7 1 1 A 72 72 ILE N N 72 124.417 122.516 1.901 1
1 913 . 7 1 1 A 73 73 ALA H H 73 9.109 8.113 0.996 1
1 914 . 7 1 1 A 73 73 ALA HA H 73 3.974 4.043 -0.069 1
1 918 . 7 1 1 A 73 73 ALA C C 73 180.248 179.616 0.632 1
1 919 . 7 1 1 A 73 73 ALA CA C 73 55.232 55.236 -0.004 1
1 920 . 7 1 1 A 73 73 ALA CB C 73 18.338 18.226 0.112 1
1 921 . 7 1 1 A 73 73 ALA N N 73 119.077 123.643 -4.566 1
1 922 . 7 1 1 A 74 74 THR H H 74 7.112 8.004 -0.892 1
1 923 . 7 1 1 A 74 74 THR HA H 74 3.875 3.882 -0.007 1
1 928 . 7 1 1 A 74 74 THR C C 74 175.761 176.337 -0.576 1
1 929 . 7 1 1 A 74 74 THR CA C 74 65.841 66.929 -1.088 1
1 930 . 7 1 1 A 74 74 THR CB C 74 68.248 68.449 -0.201 1
1 932 . 7 1 1 A 74 74 THR N N 74 114.866 114.936 -0.070 1
1 933 . 7 1 1 A 75 75 VAL H H 75 8.087 8.023 0.064 1
1 934 . 7 1 1 A 75 75 VAL HA H 75 3.305 3.487 -0.182 1
1 942 . 7 1 1 A 75 75 VAL C C 75 177.048 177.927 -0.879 1
1 943 . 7 1 1 A 75 75 VAL CA C 75 67.681 66.408 1.273 1
1 944 . 7 1 1 A 75 75 VAL CB C 75 30.831 31.171 -0.340 1
1 947 . 7 1 1 A 75 75 VAL N N 75 123.901 121.399 2.502 1
1 948 . 7 1 1 A 76 76 GLY H H 76 7.673 8.023 -0.350 1
1 949 . 7 1 1 A 76 76 GLY HA2 H 76 2.235 3.467 -1.232 1
1 950 . 7 1 1 A 76 76 GLY HA3 H 76 3.003 3.730 -0.727 1
1 951 . 7 1 1 A 76 76 GLY C C 76 176.562 175.518 1.044 1
1 952 . 7 1 1 A 76 76 GLY CA C 76 46.293 46.910 -0.617 1
1 953 . 7 1 1 A 76 76 GLY N N 76 102.438 107.815 -5.377 1
1 954 . 7 1 1 A 77 77 ARG H H 77 7.760 7.852 -0.092 1
1 955 . 7 1 1 A 77 77 ARG HA H 77 3.982 3.980 0.002 1
1 962 . 7 1 1 A 77 77 ARG C C 77 180.332 178.530 1.802 1
1 963 . 7 1 1 A 77 77 ARG CA C 77 59.550 58.732 0.818 1
1 964 . 7 1 1 A 77 77 ARG CB C 77 30.085 29.610 0.475 1
1 967 . 7 1 1 A 77 77 ARG N N 77 122.228 121.840 0.388 1
1 968 . 7 1 1 A 78 78 ASN H H 78 8.230 7.752 0.478 1
1 969 . 7 1 1 A 78 78 ASN HA H 78 4.397 4.402 -0.005 1
1 974 . 7 1 1 A 78 78 ASN C C 78 176.105 176.940 -0.835 1
1 975 . 7 1 1 A 78 78 ASN CA C 78 55.615 56.083 -0.468 1
1 976 . 7 1 1 A 78 78 ASN CB C 78 38.806 38.743 0.063 1
1 978 . 7 1 1 A 78 78 ASN N N 78 119.139 117.518 1.621 1
1 980 . 7 1 1 A 79 79 VAL H H 79 7.323 6.787 0.536 1
1 981 . 7 1 1 A 79 79 VAL HA H 79 4.438 4.062 0.376 1
1 989 . 7 1 1 A 79 79 VAL C C 79 174.220 175.706 -1.486 1
1 990 . 7 1 1 A 79 79 VAL CA C 79 59.911 61.014 -1.103 1
1 991 . 7 1 1 A 79 79 VAL CB C 79 31.400 31.223 0.177 1
1 994 . 7 1 1 A 79 79 VAL N N 79 108.664 111.441 -2.777 1
1 995 . 7 1 1 A 80 80 GLY H H 80 7.286 7.802 -0.516 1
1 996 . 7 1 1 A 80 80 GLY HA2 H 80 3.540 3.704 -0.164 1
1 997 . 7 1 1 A 80 80 GLY HA3 H 80 4.023 3.814 0.209 1
1 998 . 7 1 1 A 80 80 GLY C C 80 174.383 174.232 0.151 1
1 999 . 7 1 1 A 80 80 GLY CA C 80 45.739 45.388 0.351 1
1 1000 . 7 1 1 A 80 80 GLY N N 80 104.635 109.678 -5.043 1
1 1001 . 7 1 1 A 81 81 PHE H H 81 8.535 7.641 0.894 1
1 1002 . 7 1 1 A 81 81 PHE HA H 81 4.845 4.319 0.526 1
1 1010 . 7 1 1 A 81 81 PHE C C 81 174.570 175.781 -1.211 1
1 1011 . 7 1 1 A 81 81 PHE CA C 81 56.375 58.467 -2.092 1
1 1012 . 7 1 1 A 81 81 PHE CB C 81 39.941 39.516 0.425 1
1 1018 . 7 1 1 A 81 81 PHE N N 81 119.772 118.972 0.800 1
1 1019 . 7 1 1 A 82 82 ASP H H 82 8.564 8.890 -0.326 1
1 1020 . 7 1 1 A 82 82 ASP HA H 82 4.491 4.536 -0.045 1
1 1023 . 7 1 1 A 82 82 ASP C C 82 175.170 175.991 -0.821 1
1 1024 . 7 1 1 A 82 82 ASP CA C 82 55.195 55.609 -0.414 1
1 1025 . 7 1 1 A 82 82 ASP CB C 82 41.010 41.180 -0.170 1
1 1026 . 7 1 1 A 82 82 ASP N N 82 123.028 123.741 -0.713 1
1 1027 . 7 1 1 A 83 83 ASP H H 83 7.789 7.635 0.154 1
1 1028 . 7 1 1 A 83 83 ASP HA H 83 4.947 4.814 0.133 1
1 1031 . 7 1 1 A 83 83 ASP C C 83 176.347 176.404 -0.057 1
1 1032 . 7 1 1 A 83 83 ASP CA C 83 52.690 54.140 -1.450 1
1 1033 . 7 1 1 A 83 83 ASP CB C 83 43.152 41.464 1.688 1
1 1034 . 7 1 1 A 83 83 ASP N N 83 118.576 120.705 -2.129 1
1 1035 . 7 1 1 A 84 84 GLN H H 84 9.104 8.900 0.204 1
1 1036 . 7 1 1 A 84 84 GLN HA H 84 4.333 3.996 0.337 1
1 1043 . 7 1 1 A 84 84 GLN C C 84 177.986 177.692 0.294 1
1 1044 . 7 1 1 A 84 84 GLN CA C 84 58.909 58.593 0.316 1
1 1045 . 7 1 1 A 84 84 GLN CB C 84 28.267 28.541 -0.274 1
1 1048 . 7 1 1 A 84 84 GLN N N 84 126.543 125.621 0.922 1
1 1050 . 7 1 1 A 85 85 LEU H H 85 8.419 8.209 0.210 1
1 1051 . 7 1 1 A 85 85 LEU HA H 85 4.210 4.108 0.102 1
1 1061 . 7 1 1 A 85 85 LEU C C 85 179.472 178.891 0.581 1
1 1062 . 7 1 1 A 85 85 LEU CA C 85 57.958 57.619 0.339 1
1 1063 . 7 1 1 A 85 85 LEU CB C 85 40.678 41.784 -1.106 1
1 1067 . 7 1 1 A 85 85 LEU N N 85 123.486 119.340 4.146 1
1 1068 . 7 1 1 A 86 86 TYR H H 86 8.042 8.379 -0.337 1
1 1069 . 7 1 1 A 86 86 TYR HA H 86 4.288 3.977 0.311 1
1 1076 . 7 1 1 A 86 86 TYR C C 86 177.195 177.081 0.114 1
1 1077 . 7 1 1 A 86 86 TYR CA C 86 60.367 61.575 -1.208 1
1 1078 . 7 1 1 A 86 86 TYR CB C 86 38.184 38.226 -0.042 1
1 1083 . 7 1 1 A 86 86 TYR N N 86 122.679 120.174 2.505 1
1 1084 . 7 1 1 A 87 87 PHE H H 87 8.219 8.008 0.211 1
1 1085 . 7 1 1 A 87 87 PHE HA H 87 3.261 4.107 -0.846 1
1 1093 . 7 1 1 A 87 87 PHE C C 87 175.875 177.700 -1.825 1
1 1094 . 7 1 1 A 87 87 PHE CA C 87 58.536 61.658 -3.122 1
1 1095 . 7 1 1 A 87 87 PHE CB C 87 38.124 39.015 -0.891 1
1 1101 . 7 1 1 A 87 87 PHE N N 87 116.536 119.305 -2.769 1
1 1102 . 7 1 1 A 88 88 SER H H 88 8.082 7.898 0.184 1
1 1103 . 7 1 1 A 88 88 SER HA H 88 3.951 4.078 -0.127 1
1 1105 . 7 1 1 A 88 88 SER C C 88 175.926 176.623 -0.697 1
1 1106 . 7 1 1 A 88 88 SER CA C 88 62.398 61.525 0.873 1
1 1107 . 7 1 1 A 88 88 SER N N 88 112.937 115.803 -2.866 1
1 1108 . 7 1 1 A 89 89 ARG H H 89 7.843 7.812 0.031 1
1 1109 . 7 1 1 A 89 89 ARG HA H 89 3.975 3.998 -0.023 1
1 1116 . 7 1 1 A 89 89 ARG C C 89 179.414 178.597 0.817 1
1 1117 . 7 1 1 A 89 89 ARG CA C 89 59.452 59.133 0.319 1
1 1118 . 7 1 1 A 89 89 ARG CB C 89 30.242 29.974 0.268 1
1 1121 . 7 1 1 A 89 89 ARG N N 89 121.621 121.904 -0.283 1
1 1122 . 7 1 1 A 90 90 VAL H H 90 8.235 7.490 0.745 1
1 1123 . 7 1 1 A 90 90 VAL HA H 90 3.530 3.467 0.063 1
1 1131 . 7 1 1 A 90 90 VAL C C 90 177.752 177.920 -0.168 1
1 1132 . 7 1 1 A 90 90 VAL CA C 90 66.208 66.066 0.142 1
1 1133 . 7 1 1 A 90 90 VAL CB C 90 31.649 31.819 -0.170 1
1 1136 . 7 1 1 A 90 90 VAL N N 90 122.095 119.759 2.336 1
1 1137 . 7 1 1 A 91 91 PHE H H 91 8.763 8.536 0.227 1
1 1138 . 7 1 1 A 91 91 PHE HA H 91 3.584 3.867 -0.283 1
1 1141 . 7 1 1 A 91 91 PHE C C 91 178.386 177.307 1.079 1
1 1142 . 7 1 1 A 91 91 PHE CA C 91 62.523 60.589 1.934 1
1 1143 . 7 1 1 A 91 91 PHE CB C 91 39.528 38.374 1.154 1
1 1144 . 7 1 1 A 91 91 PHE N N 91 121.769 120.287 1.482 1
1 1145 . 7 1 1 A 92 92 LYS H H 92 8.237 8.404 -0.167 1
1 1146 . 7 1 1 A 92 92 LYS HA H 92 4.217 4.301 -0.084 1
1 1153 . 7 1 1 A 92 92 LYS C C 92 179.621 179.056 0.565 1
1 1154 . 7 1 1 A 92 92 LYS CA C 92 58.597 60.097 -1.500 1
1 1155 . 7 1 1 A 92 92 LYS CB C 92 32.290 32.758 -0.468 1
1 1159 . 7 1 1 A 92 92 LYS N N 92 121.441 118.348 3.093 1
1 1160 . 7 1 1 A 93 93 LYS H H 93 8.013 7.538 0.475 1
1 1161 . 7 1 1 A 93 93 LYS HA H 93 3.956 4.008 -0.052 1
1 1169 . 7 1 1 A 93 93 LYS C C 93 178.611 178.848 -0.237 1
1 1170 . 7 1 1 A 93 93 LYS CA C 93 59.356 58.992 0.364 1
1 1171 . 7 1 1 A 93 93 LYS CB C 93 31.785 31.864 -0.079 1
1 1175 . 7 1 1 A 93 93 LYS N N 93 122.286 118.244 4.042 1
1 1176 . 7 1 1 A 94 94 CYS H H 94 7.818 7.730 0.088 1
1 1177 . 7 1 1 A 94 94 CYS HA H 94 4.224 3.902 0.322 1
1 1180 . 7 1 1 A 94 94 CYS C C 94 176.440 175.780 0.660 1
1 1181 . 7 1 1 A 94 94 CYS CA C 94 62.517 62.422 0.095 1
1 1182 . 7 1 1 A 94 94 CYS CB C 94 28.104 26.242 1.862 1
1 1183 . 7 1 1 A 94 94 CYS N N 94 113.581 118.848 -5.267 1
1 1184 . 7 1 1 A 95 95 THR H H 95 8.038 7.076 0.962 1
1 1185 . 7 1 1 A 95 95 THR HA H 95 4.397 4.408 -0.011 1
1 1190 . 7 1 1 A 95 95 THR C C 95 176.237 175.692 0.545 1
1 1191 . 7 1 1 A 95 95 THR CA C 95 62.507 61.737 0.770 1
1 1192 . 7 1 1 A 95 95 THR CB C 95 71.481 70.539 0.942 1
1 1194 . 7 1 1 A 95 95 THR N N 95 106.903 108.282 -1.379 1
1 1195 . 7 1 1 A 96 96 GLY H H 96 8.526 8.761 -0.235 1
1 1196 . 7 1 1 A 96 96 GLY HA2 H 96 3.724 3.863 -0.139 1
1 1197 . 7 1 1 A 96 96 GLY HA3 H 96 4.374 3.879 0.495 1
1 1198 . 7 1 1 A 96 96 GLY C C 96 172.550 173.365 -0.815 1
1 1199 . 7 1 1 A 96 96 GLY CA C 96 45.264 45.245 0.019 1
1 1200 . 7 1 1 A 96 96 GLY N N 96 112.762 111.470 1.292 1
1 1201 . 7 1 1 A 97 97 ALA H H 97 8.560 7.140 1.420 1
1 1202 . 7 1 1 A 97 97 ALA HA H 97 4.841 4.833 0.008 1
1 1206 . 7 1 1 A 97 97 ALA C C 97 175.280 176.283 -1.003 1
1 1207 . 7 1 1 A 97 97 ALA CA C 97 50.176 51.154 -0.978 1
1 1208 . 7 1 1 A 97 97 ALA CB C 97 22.551 22.912 -0.361 1
1 1209 . 7 1 1 A 97 97 ALA N N 97 125.656 120.927 4.729 1
1 1210 . 7 1 1 A 98 98 SER H H 98 8.817 8.648 0.169 1
1 1211 . 7 1 1 A 98 98 SER HA H 98 4.656 4.800 -0.144 1
1 1212 . 7 1 1 A 98 98 SER CA C 98 56.612 56.905 -0.293 1
1 1213 . 7 1 1 A 98 98 SER N N 98 114.919 115.220 -0.301 1
1 1214 . 7 1 1 A 99 99 PRO HA H 99 3.500 4.480 -0.980 1
1 1220 . 7 1 1 A 99 99 PRO C C 99 177.585 178.115 -0.530 1
1 1221 . 7 1 1 A 99 99 PRO CA C 99 66.202 64.572 1.630 1
1 1222 . 7 1 1 A 99 99 PRO CB C 99 32.030 31.821 0.209 1
1 1225 . 7 1 1 A 100 100 SER H H 100 8.254 8.270 -0.016 1
1 1226 . 7 1 1 A 100 100 SER HA H 100 4.029 4.269 -0.240 1
1 1227 . 7 1 1 A 100 100 SER C C 100 177.441 176.852 0.589 1
1 1228 . 7 1 1 A 100 100 SER CA C 100 61.891 61.041 0.850 1
1 1229 . 7 1 1 A 100 100 SER N N 100 111.230 112.276 -1.046 1
1 1230 . 7 1 1 A 101 101 GLU H H 101 7.848 7.929 -0.081 1
1 1231 . 7 1 1 A 101 101 GLU HA H 101 4.021 4.083 -0.062 1
1 1236 . 7 1 1 A 101 101 GLU C C 101 179.288 178.725 0.563 1
1 1237 . 7 1 1 A 101 101 GLU CA C 101 58.822 59.383 -0.561 1
1 1238 . 7 1 1 A 101 101 GLU CB C 101 29.846 29.667 0.179 1
1 1240 . 7 1 1 A 101 101 GLU N N 101 125.150 122.442 2.708 1
1 1241 . 7 1 1 A 102 102 PHE H H 102 8.923 8.143 0.780 1
1 1242 . 7 1 1 A 102 102 PHE HA H 102 4.155 4.172 -0.017 1
1 1245 . 7 1 1 A 102 102 PHE C C 102 178.343 177.584 0.759 1
1 1246 . 7 1 1 A 102 102 PHE CA C 102 61.315 61.711 -0.396 1
1 1247 . 7 1 1 A 102 102 PHE CB C 102 40.083 39.318 0.765 1
1 1248 . 7 1 1 A 102 102 PHE N N 102 121.281 120.711 0.570 1
1 1249 . 7 1 1 A 103 103 ARG H H 103 8.210 8.353 -0.143 1
1 1250 . 7 1 1 A 103 103 ARG HA H 103 3.830 4.074 -0.244 1
1 1257 . 7 1 1 A 103 103 ARG C C 103 177.602 178.562 -0.960 1
1 1258 . 7 1 1 A 103 103 ARG CA C 103 59.235 59.648 -0.413 1
1 1261 . 7 1 1 A 103 103 ARG N N 103 119.223 118.690 0.533 1
1 1262 . 7 1 1 A 104 104 ALA H H 104 7.905 7.031 0.874 1
1 1263 . 7 1 1 A 104 104 ALA HA H 104 4.186 4.299 -0.113 1
1 1267 . 7 1 1 A 104 104 ALA C C 104 179.126 177.839 1.287 1
1 1268 . 7 1 1 A 104 104 ALA CA C 104 54.188 52.373 1.815 1
1 1269 . 7 1 1 A 104 104 ALA CB C 104 18.254 19.691 -1.437 1
1 1270 . 7 1 1 A 104 104 ALA N N 104 120.546 119.427 1.119 1
1 1271 . 7 1 1 A 105 105 GLY H H 105 7.676 7.968 -0.292 1
1 1272 . 7 1 1 A 105 105 GLY HA2 H 105 3.849 3.737 0.112 1
1 1273 . 7 1 1 A 105 105 GLY HA3 H 105 4.052 3.848 0.204 1
1 1274 . 7 1 1 A 105 105 GLY C C 105 174.515 174.185 0.330 1
1 1275 . 7 1 1 A 105 105 GLY CA C 105 45.317 45.425 -0.108 1
1 1276 . 7 1 1 A 105 105 GLY N N 105 104.677 107.297 -2.620 1
1 1277 . 7 1 1 A 106 106 CYS H H 106 7.599 7.275 0.324 1
1 1278 . 7 1 1 A 106 106 CYS HA H 106 4.447 4.533 -0.086 1
1 1281 . 7 1 1 A 106 106 CYS C C 106 173.823 173.862 -0.039 1
1 1282 . 7 1 1 A 106 106 CYS CA C 106 59.123 58.617 0.506 1
1 1283 . 7 1 1 A 106 106 CYS CB C 106 28.004 28.547 -0.543 1
1 1284 . 7 1 1 A 106 106 CYS N N 106 118.321 119.929 -1.608 1
1 14 . 8 1 1 A 2 2 ASP H H 2 8.989 8.328 0.661 1
1 15 . 8 1 1 A 2 2 ASP HA H 2 4.662 4.603 0.059 1
1 18 . 8 1 1 A 2 2 ASP C C 2 177.024 177.268 -0.244 1
1 19 . 8 1 1 A 2 2 ASP CA C 2 54.092 54.528 -0.436 1
1 20 . 8 1 1 A 2 2 ASP CB C 2 42.743 42.709 0.034 1
1 21 . 8 1 1 A 2 2 ASP N N 2 126.287 124.829 1.458 1
1 22 . 8 1 1 A 3 3 ASN H H 3 9.165 8.748 0.417 1
1 23 . 8 1 1 A 3 3 ASN HA H 3 4.446 4.337 0.109 1
1 28 . 8 1 1 A 3 3 ASN C C 3 177.306 177.088 0.218 1
1 29 . 8 1 1 A 3 3 ASN CA C 3 56.355 56.962 -0.607 1
1 30 . 8 1 1 A 3 3 ASN CB C 3 38.382 37.989 0.393 1
1 32 . 8 1 1 A 3 3 ASN N N 3 124.055 122.942 1.113 1
1 34 . 8 1 1 A 4 4 ARG H H 4 9.092 7.863 1.229 1
1 35 . 8 1 1 A 4 4 ARG HA H 4 4.183 4.009 0.174 1
1 42 . 8 1 1 A 4 4 ARG C C 4 178.824 178.365 0.459 1
1 43 . 8 1 1 A 4 4 ARG CA C 4 59.401 59.326 0.075 1
1 44 . 8 1 1 A 4 4 ARG CB C 4 29.437 30.410 -0.973 1
1 47 . 8 1 1 A 4 4 ARG N N 4 119.970 119.423 0.547 1
1 48 . 8 1 1 A 5 5 VAL H H 5 7.588 8.113 -0.525 1
1 49 . 8 1 1 A 5 5 VAL HA H 5 3.458 3.611 -0.153 1
1 57 . 8 1 1 A 5 5 VAL C C 5 177.573 177.916 -0.343 1
1 58 . 8 1 1 A 5 5 VAL CA C 5 66.543 66.866 -0.323 1
1 59 . 8 1 1 A 5 5 VAL CB C 5 31.294 31.167 0.127 1
1 62 . 8 1 1 A 5 5 VAL N N 5 119.312 119.843 -0.531 1
1 63 . 8 1 1 A 6 6 ARG H H 6 7.920 8.322 -0.402 1
1 64 . 8 1 1 A 6 6 ARG HA H 6 3.860 3.846 0.014 1
1 71 . 8 1 1 A 6 6 ARG C C 6 179.380 178.881 0.499 1
1 72 . 8 1 1 A 6 6 ARG CA C 6 60.197 59.586 0.611 1
1 73 . 8 1 1 A 6 6 ARG CB C 6 29.818 29.642 0.176 1
1 76 . 8 1 1 A 6 6 ARG N N 6 120.863 119.666 1.197 1
1 77 . 8 1 1 A 7 7 GLU H H 7 8.262 8.016 0.246 1
1 78 . 8 1 1 A 7 7 GLU HA H 7 4.241 4.081 0.160 1
1 83 . 8 1 1 A 7 7 GLU C C 7 179.131 179.306 -0.175 1
1 84 . 8 1 1 A 7 7 GLU CA C 7 58.770 59.452 -0.682 1
1 85 . 8 1 1 A 7 7 GLU CB C 7 28.883 29.404 -0.521 1
1 87 . 8 1 1 A 7 7 GLU N N 7 119.166 119.102 0.064 1
1 88 . 8 1 1 A 8 8 ALA H H 8 8.421 7.994 0.427 1
1 89 . 8 1 1 A 8 8 ALA HA H 8 4.046 4.335 -0.289 1
1 93 . 8 1 1 A 8 8 ALA C C 8 179.202 179.859 -0.657 1
1 94 . 8 1 1 A 8 8 ALA CA C 8 55.610 55.236 0.374 1
1 95 . 8 1 1 A 8 8 ALA CB C 8 18.512 18.581 -0.069 1
1 96 . 8 1 1 A 8 8 ALA N N 8 123.947 122.148 1.799 1
1 97 . 8 1 1 A 9 9 CYS H H 9 8.490 7.809 0.681 1
1 98 . 8 1 1 A 9 9 CYS HA H 9 3.767 4.398 -0.631 1
1 101 . 8 1 1 A 9 9 CYS C C 9 176.858 177.602 -0.744 1
1 102 . 8 1 1 A 9 9 CYS CA C 9 64.480 62.550 1.930 1
1 103 . 8 1 1 A 9 9 CYS CB C 9 26.690 27.303 -0.613 1
1 104 . 8 1 1 A 9 9 CYS N N 9 116.232 118.276 -2.044 1
1 105 . 8 1 1 A 10 10 GLN H H 10 8.088 7.806 0.282 1
1 106 . 8 1 1 A 10 10 GLN HA H 10 4.022 4.139 -0.117 1
1 113 . 8 1 1 A 10 10 GLN C C 10 177.140 178.076 -0.936 1
1 114 . 8 1 1 A 10 10 GLN CA C 10 58.804 59.213 -0.409 1
1 115 . 8 1 1 A 10 10 GLN CB C 10 28.299 28.685 -0.386 1
1 118 . 8 1 1 A 10 10 GLN N N 10 120.817 120.014 0.803 1
1 120 . 8 1 1 A 11 11 TYR H H 11 8.367 7.723 0.644 1
1 121 . 8 1 1 A 11 11 TYR HA H 11 4.308 4.152 0.156 1
1 128 . 8 1 1 A 11 11 TYR C C 11 178.986 177.249 1.737 1
1 129 . 8 1 1 A 11 11 TYR CA C 11 61.850 61.460 0.390 1
1 130 . 8 1 1 A 11 11 TYR CB C 11 38.653 38.528 0.125 1
1 135 . 8 1 1 A 11 11 TYR N N 11 120.419 120.729 -0.310 1
1 136 . 8 1 1 A 12 12 ILE H H 12 8.886 8.673 0.213 1
1 137 . 8 1 1 A 12 12 ILE HA H 12 3.700 3.562 0.138 1
1 147 . 8 1 1 A 12 12 ILE C C 12 179.352 178.091 1.261 1
1 148 . 8 1 1 A 12 12 ILE CA C 12 65.621 65.441 0.180 1
1 149 . 8 1 1 A 12 12 ILE CB C 12 38.203 38.183 0.020 1
1 153 . 8 1 1 A 12 12 ILE N N 12 119.720 121.647 -1.927 1
1 154 . 8 1 1 A 13 13 SER H H 13 8.740 8.389 0.351 1
1 155 . 8 1 1 A 13 13 SER HA H 13 4.753 4.124 0.629 1
1 158 . 8 1 1 A 13 13 SER C C 13 176.355 177.006 -0.651 1
1 159 . 8 1 1 A 13 13 SER CA C 13 62.551 61.868 0.683 1
1 160 . 8 1 1 A 13 13 SER CB C 13 62.468 62.810 -0.342 1
1 161 . 8 1 1 A 13 13 SER N N 13 116.217 116.395 -0.178 1
1 162 . 8 1 1 A 14 14 ASP H H 14 8.426 8.176 0.250 1
1 163 . 8 1 1 A 14 14 ASP HA H 14 4.438 4.468 -0.030 1
1 166 . 8 1 1 A 14 14 ASP C C 14 176.838 177.720 -0.882 1
1 167 . 8 1 1 A 14 14 ASP CA C 14 55.988 57.073 -1.085 1
1 168 . 8 1 1 A 14 14 ASP CB C 14 40.500 40.634 -0.134 1
1 169 . 8 1 1 A 14 14 ASP N N 14 121.201 121.723 -0.522 1
1 170 . 8 1 1 A 15 15 HIS H H 15 7.530 7.495 0.035 1
1 171 . 8 1 1 A 15 15 HIS HA H 15 4.661 4.595 0.066 1
1 176 . 8 1 1 A 15 15 HIS C C 15 175.451 175.587 -0.136 1
1 177 . 8 1 1 A 15 15 HIS CA C 15 55.320 55.520 -0.200 1
1 178 . 8 1 1 A 15 15 HIS CB C 15 28.275 29.058 -0.783 1
1 181 . 8 1 1 A 15 15 HIS N N 15 116.777 115.221 1.556 1
1 182 . 8 1 1 A 16 16 LEU H H 16 7.271 7.501 -0.230 1
1 183 . 8 1 1 A 16 16 LEU HA H 16 3.812 3.848 -0.036 1
1 193 . 8 1 1 A 16 16 LEU C C 16 176.627 178.478 -1.851 1
1 194 . 8 1 1 A 16 16 LEU CA C 16 58.076 57.672 0.404 1
1 195 . 8 1 1 A 16 16 LEU CB C 16 42.531 41.596 0.935 1
1 199 . 8 1 1 A 16 16 LEU N N 16 122.531 122.480 0.051 1
1 200 . 8 1 1 A 17 17 ALA H H 17 8.243 7.218 1.025 1
1 201 . 8 1 1 A 17 17 ALA HA H 17 3.937 4.113 -0.176 1
1 205 . 8 1 1 A 17 17 ALA C C 17 177.131 176.944 0.187 1
1 206 . 8 1 1 A 17 17 ALA CA C 17 51.802 52.801 -0.999 1
1 207 . 8 1 1 A 17 17 ALA CB C 17 18.473 19.498 -1.025 1
1 208 . 8 1 1 A 17 17 ALA N N 17 116.354 119.845 -3.491 1
1 209 . 8 1 1 A 18 18 ASP H H 18 7.488 7.551 -0.063 1
1 210 . 8 1 1 A 18 18 ASP HA H 18 4.455 4.479 -0.024 1
1 213 . 8 1 1 A 18 18 ASP C C 18 177.370 175.534 1.836 1
1 214 . 8 1 1 A 18 18 ASP CA C 18 54.571 54.263 0.308 1
1 215 . 8 1 1 A 18 18 ASP CB C 18 40.521 42.209 -1.688 1
1 216 . 8 1 1 A 18 18 ASP N N 18 119.230 118.529 0.701 1
1 217 . 8 1 1 A 19 19 SER H H 19 8.793 8.872 -0.079 1
1 218 . 8 1 1 A 19 19 SER HA H 19 4.424 4.489 -0.065 1
1 221 . 8 1 1 A 19 19 SER C C 19 174.779 174.228 0.551 1
1 222 . 8 1 1 A 19 19 SER CA C 19 59.706 60.441 -0.735 1
1 223 . 8 1 1 A 19 19 SER CB C 19 63.351 64.204 -0.853 1
1 224 . 8 1 1 A 19 19 SER N N 19 119.892 118.388 1.504 1
1 225 . 8 1 1 A 20 20 ASN H H 20 8.520 8.004 0.516 1
1 226 . 8 1 1 A 20 20 ASN HA H 20 4.869 4.935 -0.066 1
1 231 . 8 1 1 A 20 20 ASN C C 20 173.838 174.701 -0.863 1
1 232 . 8 1 1 A 20 20 ASN CA C 20 52.586 53.493 -0.907 1
1 233 . 8 1 1 A 20 20 ASN CB C 20 38.799 38.593 0.206 1
1 235 . 8 1 1 A 20 20 ASN N N 20 119.769 118.949 0.820 1
1 237 . 8 1 1 A 21 21 PHE H H 21 8.082 9.071 -0.989 1
1 238 . 8 1 1 A 21 21 PHE HA H 21 4.397 4.791 -0.394 1
1 246 . 8 1 1 A 21 21 PHE C C 21 173.520 173.898 -0.378 1
1 247 . 8 1 1 A 21 21 PHE CA C 21 58.672 58.022 0.650 1
1 248 . 8 1 1 A 21 21 PHE CB C 21 40.704 40.195 0.509 1
1 254 . 8 1 1 A 21 21 PHE N N 21 121.875 126.347 -4.472 1
1 255 . 8 1 1 A 22 22 ASP H H 22 7.570 8.422 -0.852 1
1 256 . 8 1 1 A 22 22 ASP HA H 22 4.563 4.721 -0.158 1
1 259 . 8 1 1 A 22 22 ASP C C 22 175.674 175.680 -0.006 1
1 260 . 8 1 1 A 22 22 ASP CA C 22 52.049 52.105 -0.056 1
1 261 . 8 1 1 A 22 22 ASP CB C 22 43.023 41.485 1.538 1
1 262 . 8 1 1 A 22 22 ASP N N 22 126.780 127.344 -0.564 1
1 263 . 8 1 1 A 23 23 ILE H H 23 8.720 8.020 0.700 1
1 264 . 8 1 1 A 23 23 ILE HA H 23 3.555 3.526 0.029 1
1 274 . 8 1 1 A 23 23 ILE C C 23 176.441 177.296 -0.855 1
1 275 . 8 1 1 A 23 23 ILE CA C 23 63.650 63.025 0.625 1
1 276 . 8 1 1 A 23 23 ILE CB C 23 37.741 37.811 -0.070 1
1 280 . 8 1 1 A 23 23 ILE N N 23 124.815 126.341 -1.526 1
1 281 . 8 1 1 A 24 24 ALA H H 24 8.543 7.990 0.553 1
1 282 . 8 1 1 A 24 24 ALA HA H 24 3.917 3.986 -0.069 1
1 286 . 8 1 1 A 24 24 ALA C C 24 180.227 179.569 0.658 1
1 287 . 8 1 1 A 24 24 ALA CA C 24 55.413 55.207 0.206 1
1 288 . 8 1 1 A 24 24 ALA CB C 24 17.760 17.755 0.005 1
1 289 . 8 1 1 A 24 24 ALA N N 24 123.943 124.252 -0.309 1
1 290 . 8 1 1 A 25 25 SER H H 25 7.844 7.922 -0.078 1
1 291 . 8 1 1 A 25 25 SER HA H 25 4.246 4.013 0.233 1
1 293 . 8 1 1 A 25 25 SER C C 25 176.667 176.175 0.492 1
1 294 . 8 1 1 A 25 25 SER CA C 25 61.238 61.565 -0.327 1
1 295 . 8 1 1 A 25 25 SER CB C 25 62.402 62.855 -0.453 1
1 296 . 8 1 1 A 25 25 SER N N 25 114.143 113.626 0.517 1
1 297 . 8 1 1 A 26 26 VAL H H 26 7.086 7.358 -0.272 1
1 298 . 8 1 1 A 26 26 VAL HA H 26 3.198 3.297 -0.099 1
1 306 . 8 1 1 A 26 26 VAL C C 26 176.670 178.020 -1.350 1
1 307 . 8 1 1 A 26 26 VAL CA C 26 64.809 66.581 -1.772 1
1 308 . 8 1 1 A 26 26 VAL CB C 26 31.274 31.484 -0.210 1
1 311 . 8 1 1 A 26 26 VAL N N 26 122.369 121.978 0.391 1
1 312 . 8 1 1 A 27 27 ALA H H 27 8.043 7.832 0.211 1
1 313 . 8 1 1 A 27 27 ALA HA H 27 3.775 3.941 -0.166 1
1 317 . 8 1 1 A 27 27 ALA C C 27 178.948 179.301 -0.353 1
1 318 . 8 1 1 A 27 27 ALA CA C 27 55.507 55.523 -0.016 1
1 319 . 8 1 1 A 27 27 ALA CB C 27 17.412 17.625 -0.213 1
1 320 . 8 1 1 A 27 27 ALA N N 27 122.045 122.103 -0.058 1
1 321 . 8 1 1 A 28 28 GLN H H 28 8.089 7.898 0.191 1
1 322 . 8 1 1 A 28 28 GLN HA H 28 4.053 4.028 0.025 1
1 329 . 8 1 1 A 28 28 GLN C C 28 179.289 178.411 0.878 1
1 330 . 8 1 1 A 28 28 GLN CA C 28 58.625 58.721 -0.096 1
1 331 . 8 1 1 A 28 28 GLN CB C 28 28.155 28.159 -0.004 1
1 334 . 8 1 1 A 28 28 GLN N N 28 116.168 118.437 -2.269 1
1 336 . 8 1 1 A 29 29 HIS H H 29 7.454 7.856 -0.402 1
1 337 . 8 1 1 A 29 29 HIS HA H 29 4.209 4.075 0.134 1
1 342 . 8 1 1 A 29 29 HIS C C 29 175.895 176.863 -0.968 1
1 343 . 8 1 1 A 29 29 HIS CA C 29 59.132 59.405 -0.273 1
1 344 . 8 1 1 A 29 29 HIS CB C 29 28.947 29.625 -0.678 1
1 347 . 8 1 1 A 29 29 HIS N N 29 118.117 120.052 -1.935 1
1 348 . 8 1 1 A 30 30 VAL H H 30 7.309 7.293 0.016 1
1 349 . 8 1 1 A 30 30 VAL HA H 30 4.441 4.063 0.378 1
1 357 . 8 1 1 A 30 30 VAL C C 30 173.598 175.670 -2.072 1
1 358 . 8 1 1 A 30 30 VAL CA C 30 59.948 60.498 -0.550 1
1 359 . 8 1 1 A 30 30 VAL CB C 30 31.067 30.970 0.097 1
1 362 . 8 1 1 A 30 30 VAL N N 30 106.791 109.481 -2.690 1
1 363 . 8 1 1 A 31 31 CYS H H 31 7.837 8.035 -0.198 1
1 364 . 8 1 1 A 31 31 CYS HA H 31 3.929 4.029 -0.100 1
1 367 . 8 1 1 A 31 31 CYS C C 31 173.679 173.665 0.014 1
1 368 . 8 1 1 A 31 31 CYS CA C 31 59.814 60.061 -0.247 1
1 369 . 8 1 1 A 31 31 CYS CB C 31 24.898 26.244 -1.346 1
1 370 . 8 1 1 A 31 31 CYS N N 31 116.363 120.192 -3.829 1
1 371 . 8 1 1 A 32 32 LEU H H 32 8.061 7.933 0.128 1
1 372 . 8 1 1 A 32 32 LEU HA H 32 4.871 4.862 0.009 1
1 382 . 8 1 1 A 32 32 LEU C C 32 176.243 174.972 1.271 1
1 383 . 8 1 1 A 32 32 LEU CA C 32 52.555 53.557 -1.002 1
1 384 . 8 1 1 A 32 32 LEU CB C 32 48.238 46.060 2.178 1
1 388 . 8 1 1 A 32 32 LEU N N 32 118.159 120.388 -2.229 1
1 389 . 8 1 1 A 33 33 SER H H 33 8.221 8.730 -0.509 1
1 390 . 8 1 1 A 33 33 SER N N 33 116.259 119.653 -3.394 1
1 391 . 8 1 1 A 34 34 PRO HA H 34 3.951 4.368 -0.417 1
1 398 . 8 1 1 A 34 34 PRO C C 34 178.473 178.361 0.112 1
1 399 . 8 1 1 A 34 34 PRO CA C 34 66.404 64.844 1.560 1
1 400 . 8 1 1 A 34 34 PRO CB C 34 31.712 32.033 -0.321 1
1 403 . 8 1 1 A 35 35 SER H H 35 8.343 8.240 0.103 1
1 404 . 8 1 1 A 35 35 SER HA H 35 4.192 4.247 -0.055 1
1 406 . 8 1 1 A 35 35 SER C C 35 177.361 176.747 0.614 1
1 407 . 8 1 1 A 35 35 SER CA C 35 61.358 61.300 0.058 1
1 408 . 8 1 1 A 35 35 SER CB C 35 62.140 62.678 -0.538 1
1 409 . 8 1 1 A 35 35 SER N N 35 111.653 112.608 -0.955 1
1 410 . 8 1 1 A 36 36 ARG H H 36 7.868 7.800 0.068 1
1 411 . 8 1 1 A 36 36 ARG HA H 36 4.243 4.239 0.004 1
1 418 . 8 1 1 A 36 36 ARG C C 36 178.850 178.504 0.346 1
1 419 . 8 1 1 A 36 36 ARG CA C 36 58.714 58.329 0.385 1
1 420 . 8 1 1 A 36 36 ARG CB C 36 29.804 29.748 0.056 1
1 423 . 8 1 1 A 36 36 ARG N N 36 124.303 122.224 2.079 1
1 424 . 8 1 1 A 37 37 LEU H H 37 8.593 8.077 0.516 1
1 425 . 8 1 1 A 37 37 LEU HA H 37 4.052 4.125 -0.073 1
1 435 . 8 1 1 A 37 37 LEU C C 37 177.894 178.500 -0.606 1
1 436 . 8 1 1 A 37 37 LEU CA C 37 58.289 58.419 -0.130 1
1 437 . 8 1 1 A 37 37 LEU CB C 37 40.775 41.742 -0.967 1
1 441 . 8 1 1 A 37 37 LEU N N 37 119.319 121.522 -2.203 1
1 442 . 8 1 1 A 38 38 SER H H 38 8.478 8.566 -0.088 1
1 443 . 8 1 1 A 38 38 SER HA H 38 4.066 4.255 -0.189 1
1 444 . 8 1 1 A 38 38 SER C C 38 176.577 176.363 0.214 1
1 445 . 8 1 1 A 38 38 SER CA C 38 62.824 61.528 1.296 1
1 446 . 8 1 1 A 38 38 SER N N 38 113.612 115.250 -1.638 1
1 447 . 8 1 1 A 39 39 HIS H H 39 7.983 7.647 0.336 1
1 448 . 8 1 1 A 39 39 HIS HA H 39 4.403 4.278 0.125 1
1 453 . 8 1 1 A 39 39 HIS C C 39 177.138 176.770 0.368 1
1 454 . 8 1 1 A 39 39 HIS CA C 39 59.316 60.028 -0.712 1
1 455 . 8 1 1 A 39 39 HIS CB C 39 29.226 30.134 -0.908 1
1 458 . 8 1 1 A 39 39 HIS N N 39 119.938 121.840 -1.902 1
1 459 . 8 1 1 A 40 40 LEU H H 40 8.432 8.244 0.188 1
1 460 . 8 1 1 A 40 40 LEU HA H 40 4.045 4.004 0.041 1
1 470 . 8 1 1 A 40 40 LEU C C 40 178.876 179.139 -0.263 1
1 471 . 8 1 1 A 40 40 LEU CA C 40 57.990 57.804 0.186 1
1 472 . 8 1 1 A 40 40 LEU CB C 40 42.609 41.803 0.806 1
1 476 . 8 1 1 A 40 40 LEU N N 40 120.053 118.691 1.362 1
1 477 . 8 1 1 A 41 41 PHE H H 41 8.937 8.762 0.175 1
1 478 . 8 1 1 A 41 41 PHE HA H 41 3.736 3.927 -0.191 1
1 486 . 8 1 1 A 41 41 PHE C C 41 178.022 178.015 0.007 1
1 487 . 8 1 1 A 41 41 PHE CA C 41 62.523 62.043 0.480 1
1 488 . 8 1 1 A 41 41 PHE CB C 41 39.534 39.185 0.349 1
1 494 . 8 1 1 A 41 41 PHE N N 41 120.491 119.726 0.765 1
1 495 . 8 1 1 A 42 42 ARG H H 42 8.009 8.071 -0.062 1
1 496 . 8 1 1 A 42 42 ARG HA H 42 4.021 4.389 -0.368 1
1 502 . 8 1 1 A 42 42 ARG C C 42 179.850 178.771 1.079 1
1 503 . 8 1 1 A 42 42 ARG CA C 42 59.243 59.347 -0.104 1
1 504 . 8 1 1 A 42 42 ARG CB C 42 29.748 29.792 -0.044 1
1 507 . 8 1 1 A 42 42 ARG N N 42 117.688 117.808 -0.120 1
1 508 . 8 1 1 A 43 43 GLN H H 43 8.286 7.437 0.849 1
1 509 . 8 1 1 A 43 43 GLN HA H 43 4.006 3.975 0.031 1
1 516 . 8 1 1 A 43 43 GLN C C 43 177.917 178.235 -0.318 1
1 517 . 8 1 1 A 43 43 GLN CA C 43 58.715 58.894 -0.179 1
1 518 . 8 1 1 A 43 43 GLN CB C 43 29.345 28.699 0.646 1
1 521 . 8 1 1 A 43 43 GLN N N 43 118.179 118.799 -0.620 1
1 523 . 8 1 1 A 44 44 GLN H H 44 8.296 8.179 0.117 1
1 524 . 8 1 1 A 44 44 GLN HA H 44 4.208 4.103 0.105 1
1 531 . 8 1 1 A 44 44 GLN C C 44 177.314 177.448 -0.134 1
1 532 . 8 1 1 A 44 44 GLN CA C 44 57.913 58.093 -0.180 1
1 533 . 8 1 1 A 44 44 GLN CB C 44 29.027 28.685 0.342 1
1 536 . 8 1 1 A 44 44 GLN N N 44 114.928 118.065 -3.137 1
1 538 . 8 1 1 A 45 45 LEU H H 45 8.463 7.996 0.467 1
1 539 . 8 1 1 A 45 45 LEU HA H 45 4.567 4.232 0.335 1
1 549 . 8 1 1 A 45 45 LEU C C 45 178.381 177.075 1.306 1
1 550 . 8 1 1 A 45 45 LEU CA C 45 54.564 55.085 -0.521 1
1 551 . 8 1 1 A 45 45 LEU CB C 45 43.031 42.439 0.592 1
1 555 . 8 1 1 A 45 45 LEU N N 45 117.028 116.878 0.150 1
1 556 . 8 1 1 A 46 46 GLY H H 46 7.852 8.883 -1.031 1
1 557 . 8 1 1 A 46 46 GLY HA2 H 46 4.005 3.875 0.130 1
1 558 . 8 1 1 A 46 46 GLY HA3 H 46 4.167 3.883 0.284 1
1 559 . 8 1 1 A 46 46 GLY C C 46 173.114 173.466 -0.352 1
1 560 . 8 1 1 A 46 46 GLY CA C 46 46.080 45.967 0.113 1
1 561 . 8 1 1 A 46 46 GLY N N 46 108.569 106.814 1.755 1
1 562 . 8 1 1 A 47 47 ILE H H 47 7.281 7.534 -0.253 1
1 563 . 8 1 1 A 47 47 ILE HA H 47 4.735 4.867 -0.132 1
1 573 . 8 1 1 A 47 47 ILE C C 47 172.231 174.328 -2.097 1
1 574 . 8 1 1 A 47 47 ILE CA C 47 59.240 58.900 0.340 1
1 575 . 8 1 1 A 47 47 ILE CB C 47 42.470 42.157 0.313 1
1 579 . 8 1 1 A 47 47 ILE N N 47 115.396 115.880 -0.484 1
1 580 . 8 1 1 A 48 48 SER H H 48 8.298 8.825 -0.527 1
1 581 . 8 1 1 A 48 48 SER HA H 48 4.725 4.639 0.086 1
1 584 . 8 1 1 A 48 48 SER C C 48 174.600 176.094 -1.494 1
1 585 . 8 1 1 A 48 48 SER CA C 48 57.092 58.944 -1.852 1
1 586 . 8 1 1 A 48 48 SER CB C 48 65.286 63.711 1.575 1
1 587 . 8 1 1 A 48 48 SER N N 48 115.685 119.083 -3.398 1
1 588 . 8 1 1 A 49 49 VAL H H 49 8.296 8.852 -0.556 1
1 589 . 8 1 1 A 49 49 VAL HA H 49 3.081 3.904 -0.823 1
1 597 . 8 1 1 A 49 49 VAL C C 49 177.888 177.191 0.697 1
1 598 . 8 1 1 A 49 49 VAL CA C 49 65.881 65.832 0.049 1
1 599 . 8 1 1 A 49 49 VAL CB C 49 31.149 31.637 -0.488 1
1 602 . 8 1 1 A 49 49 VAL N N 49 120.175 124.233 -4.058 1
1 603 . 8 1 1 A 50 50 LEU H H 50 8.138 8.182 -0.044 1
1 604 . 8 1 1 A 50 50 LEU HA H 50 4.011 4.019 -0.008 1
1 614 . 8 1 1 A 50 50 LEU C C 50 180.412 179.707 0.705 1
1 615 . 8 1 1 A 50 50 LEU CA C 50 57.962 58.146 -0.184 1
1 616 . 8 1 1 A 50 50 LEU CB C 50 41.224 41.328 -0.104 1
1 620 . 8 1 1 A 50 50 LEU N N 50 116.998 121.198 -4.200 1
1 621 . 8 1 1 A 51 51 SER H H 51 8.087 7.962 0.125 1
1 622 . 8 1 1 A 51 51 SER HA H 51 4.279 4.234 0.045 1
1 624 . 8 1 1 A 51 51 SER C C 51 176.081 176.836 -0.755 1
1 625 . 8 1 1 A 51 51 SER CA C 51 62.174 61.307 0.867 1
1 626 . 8 1 1 A 51 51 SER N N 51 117.207 114.552 2.655 1
1 627 . 8 1 1 A 52 52 TRP H H 52 8.913 8.395 0.518 1
1 628 . 8 1 1 A 52 52 TRP HA H 52 4.067 4.281 -0.214 1
1 637 . 8 1 1 A 52 52 TRP C C 52 178.579 177.948 0.631 1
1 638 . 8 1 1 A 52 52 TRP CA C 52 63.288 61.230 2.058 1
1 639 . 8 1 1 A 52 52 TRP CB C 52 29.159 29.796 -0.637 1
1 645 . 8 1 1 A 52 52 TRP N N 52 124.958 123.472 1.486 1
1 647 . 8 1 1 A 53 53 ARG H H 53 8.547 8.310 0.237 1
1 648 . 8 1 1 A 53 53 ARG HA H 53 3.578 3.433 0.145 1
1 654 . 8 1 1 A 53 53 ARG C C 53 177.290 178.687 -1.397 1
1 655 . 8 1 1 A 53 53 ARG CA C 53 60.443 59.470 0.973 1
1 656 . 8 1 1 A 53 53 ARG CB C 53 30.001 29.527 0.474 1
1 659 . 8 1 1 A 53 53 ARG N N 53 118.356 118.776 -0.420 1
1 660 . 8 1 1 A 54 54 GLU H H 54 8.002 7.686 0.316 1
1 661 . 8 1 1 A 54 54 GLU HA H 54 4.016 4.107 -0.091 1
1 666 . 8 1 1 A 54 54 GLU C C 54 178.460 178.289 0.171 1
1 667 . 8 1 1 A 54 54 GLU CA C 54 59.982 59.493 0.489 1
1 668 . 8 1 1 A 54 54 GLU CB C 54 29.759 29.180 0.579 1
1 670 . 8 1 1 A 54 54 GLU N N 54 118.818 119.032 -0.214 1
1 671 . 8 1 1 A 55 55 ASP H H 55 8.111 8.724 -0.613 1
1 672 . 8 1 1 A 55 55 ASP HA H 55 4.289 4.327 -0.038 1
1 675 . 8 1 1 A 55 55 ASP C C 55 179.313 178.281 1.032 1
1 676 . 8 1 1 A 55 55 ASP CA C 55 57.131 57.612 -0.481 1
1 677 . 8 1 1 A 55 55 ASP CB C 55 40.227 41.867 -1.640 1
1 678 . 8 1 1 A 55 55 ASP N N 55 119.156 120.065 -0.909 1
1 679 . 8 1 1 A 56 56 GLN H H 56 8.099 7.558 0.541 1
1 680 . 8 1 1 A 56 56 GLN HA H 56 3.781 3.930 -0.149 1
1 687 . 8 1 1 A 56 56 GLN C C 56 178.700 178.421 0.279 1
1 688 . 8 1 1 A 56 56 GLN CA C 56 57.487 58.752 -1.265 1
1 689 . 8 1 1 A 56 56 GLN CB C 56 27.430 27.902 -0.472 1
1 692 . 8 1 1 A 56 56 GLN N N 56 119.807 118.334 1.473 1
1 694 . 8 1 1 A 57 57 ARG H H 57 8.240 7.814 0.426 1
1 695 . 8 1 1 A 57 57 ARG HA H 57 3.898 4.042 -0.144 1
1 702 . 8 1 1 A 57 57 ARG C C 57 178.185 178.741 -0.556 1
1 703 . 8 1 1 A 57 57 ARG CA C 57 60.671 59.031 1.640 1
1 704 . 8 1 1 A 57 57 ARG CB C 57 31.221 29.719 1.502 1
1 707 . 8 1 1 A 57 57 ARG N N 57 120.129 119.352 0.777 1
1 708 . 8 1 1 A 58 58 ILE H H 58 7.885 7.678 0.207 1
1 709 . 8 1 1 A 58 58 ILE HA H 58 3.978 4.076 -0.098 1
1 719 . 8 1 1 A 58 58 ILE C C 58 178.357 178.350 0.007 1
1 720 . 8 1 1 A 58 58 ILE CA C 58 61.684 65.115 -3.431 1
1 721 . 8 1 1 A 58 58 ILE CB C 58 34.538 37.816 -3.278 1
1 725 . 8 1 1 A 58 58 ILE N N 58 118.096 121.666 -3.570 1
1 726 . 8 1 1 A 59 59 SER H H 59 8.563 7.955 0.608 1
1 727 . 8 1 1 A 59 59 SER HA H 59 4.010 4.131 -0.121 1
1 728 . 8 1 1 A 59 59 SER C C 59 177.731 177.273 0.458 1
1 729 . 8 1 1 A 59 59 SER CA C 59 62.459 61.458 1.001 1
1 730 . 8 1 1 A 59 59 SER N N 59 117.208 115.652 1.556 1
1 731 . 8 1 1 A 60 60 GLN H H 60 8.471 8.144 0.327 1
1 732 . 8 1 1 A 60 60 GLN HA H 60 4.228 4.000 0.228 1
1 739 . 8 1 1 A 60 60 GLN C C 60 177.958 177.677 0.281 1
1 740 . 8 1 1 A 60 60 GLN CA C 60 58.233 58.467 -0.234 1
1 741 . 8 1 1 A 60 60 GLN CB C 60 27.288 28.754 -1.466 1
1 744 . 8 1 1 A 60 60 GLN N N 60 121.780 120.809 0.971 1
1 746 . 8 1 1 A 61 61 ALA H H 61 8.504 8.223 0.281 1
1 747 . 8 1 1 A 61 61 ALA HA H 61 3.947 3.994 -0.047 1
1 751 . 8 1 1 A 61 61 ALA C C 61 179.360 179.576 -0.216 1
1 752 . 8 1 1 A 61 61 ALA CA C 61 55.413 55.349 0.064 1
1 753 . 8 1 1 A 61 61 ALA CB C 61 18.124 18.320 -0.196 1
1 754 . 8 1 1 A 61 61 ALA N N 61 122.352 122.169 0.183 1
1 755 . 8 1 1 A 62 62 LYS H H 62 8.776 8.371 0.405 1
1 756 . 8 1 1 A 62 62 LYS HA H 62 3.722 4.131 -0.409 1
1 765 . 8 1 1 A 62 62 LYS C C 62 179.330 178.767 0.563 1
1 766 . 8 1 1 A 62 62 LYS CA C 62 60.632 59.175 1.457 1
1 767 . 8 1 1 A 62 62 LYS CB C 62 32.580 31.854 0.726 1
1 771 . 8 1 1 A 62 62 LYS N N 62 117.072 116.756 0.316 1
1 772 . 8 1 1 A 63 63 LEU H H 63 7.670 7.847 -0.177 1
1 773 . 8 1 1 A 63 63 LEU HA H 63 4.233 4.046 0.187 1
1 783 . 8 1 1 A 63 63 LEU C C 63 180.902 178.335 2.567 1
1 784 . 8 1 1 A 63 63 LEU CA C 63 58.446 58.210 0.236 1
1 785 . 8 1 1 A 63 63 LEU CB C 63 41.598 41.701 -0.103 1
1 789 . 8 1 1 A 63 63 LEU N N 63 121.196 120.970 0.226 1
1 790 . 8 1 1 A 64 64 LEU H H 64 8.585 8.046 0.539 1
1 791 . 8 1 1 A 64 64 LEU HA H 64 4.088 4.072 0.016 1
1 801 . 8 1 1 A 64 64 LEU C C 64 180.869 179.257 1.612 1
1 802 . 8 1 1 A 64 64 LEU CA C 64 57.782 57.752 0.030 1
1 803 . 8 1 1 A 64 64 LEU CB C 64 42.760 41.544 1.216 1
1 807 . 8 1 1 A 64 64 LEU N N 64 121.842 118.504 3.338 1
1 808 . 8 1 1 A 65 65 LEU H H 65 9.100 8.329 0.771 1
1 809 . 8 1 1 A 65 65 LEU HA H 65 4.346 4.106 0.240 1
1 819 . 8 1 1 A 65 65 LEU C C 65 178.659 178.264 0.395 1
1 820 . 8 1 1 A 65 65 LEU CA C 65 57.408 57.447 -0.039 1
1 821 . 8 1 1 A 65 65 LEU CB C 65 43.013 41.065 1.948 1
1 825 . 8 1 1 A 65 65 LEU N N 65 119.872 119.278 0.594 1
1 826 . 8 1 1 A 66 66 SER H H 66 8.303 7.921 0.382 1
1 827 . 8 1 1 A 66 66 SER HA H 66 4.211 4.461 -0.250 1
1 829 . 8 1 1 A 66 66 SER C C 66 176.580 176.648 -0.068 1
1 830 . 8 1 1 A 66 66 SER CA C 66 60.155 60.992 -0.837 1
1 831 . 8 1 1 A 66 66 SER CB C 66 65.198 63.413 1.785 1
1 832 . 8 1 1 A 66 66 SER N N 66 110.490 114.959 -4.469 1
1 833 . 8 1 1 A 67 67 THR H H 67 7.901 7.579 0.322 1
1 834 . 8 1 1 A 67 67 THR HA H 67 4.812 4.400 0.412 1
1 839 . 8 1 1 A 67 67 THR C C 67 174.240 174.374 -0.134 1
1 840 . 8 1 1 A 67 67 THR CA C 67 62.400 63.342 -0.942 1
1 841 . 8 1 1 A 67 67 THR CB C 67 71.512 69.635 1.877 1
1 843 . 8 1 1 A 67 67 THR N N 67 108.414 114.319 -5.905 1
1 844 . 8 1 1 A 68 68 THR H H 68 7.507 7.569 -0.062 1
1 845 . 8 1 1 A 68 68 THR HA H 68 5.096 4.823 0.273 1
1 850 . 8 1 1 A 68 68 THR C C 68 174.263 173.960 0.303 1
1 851 . 8 1 1 A 68 68 THR CA C 68 60.124 59.527 0.597 1
1 852 . 8 1 1 A 68 68 THR CB C 68 72.795 72.161 0.634 1
1 854 . 8 1 1 A 68 68 THR N N 68 111.673 111.208 0.465 1
1 855 . 8 1 1 A 69 69 ARG H H 69 8.767 8.638 0.129 1
1 856 . 8 1 1 A 69 69 ARG HA H 69 4.422 4.626 -0.204 1
1 863 . 8 1 1 A 69 69 ARG C C 69 176.568 176.048 0.520 1
1 864 . 8 1 1 A 69 69 ARG CA C 69 53.692 55.358 -1.666 1
1 865 . 8 1 1 A 69 69 ARG CB C 69 28.814 30.466 -1.652 1
1 868 . 8 1 1 A 69 69 ARG N N 69 118.034 119.093 -1.059 1
1 869 . 8 1 1 A 70 70 MET H H 70 7.996 7.578 0.418 1
1 870 . 8 1 1 A 70 70 MET HA H 70 4.470 4.532 -0.062 1
1 878 . 8 1 1 A 70 70 MET CA C 70 55.386 55.275 0.111 1
1 879 . 8 1 1 A 70 70 MET CB C 70 34.080 32.438 1.642 1
1 882 . 8 1 1 A 70 70 MET N N 70 122.491 120.854 1.637 1
1 883 . 8 1 1 A 71 71 PRO HA H 71 4.574 4.516 0.058 1
1 890 . 8 1 1 A 71 71 PRO C C 71 177.204 177.122 0.082 1
1 891 . 8 1 1 A 71 71 PRO CA C 71 62.915 62.430 0.485 1
1 892 . 8 1 1 A 71 71 PRO CB C 71 32.380 32.612 -0.232 1
1 895 . 8 1 1 A 72 72 ILE H H 72 8.782 8.405 0.377 1
1 896 . 8 1 1 A 72 72 ILE HA H 72 3.407 3.845 -0.438 1
1 906 . 8 1 1 A 72 72 ILE C C 72 177.760 178.217 -0.457 1
1 907 . 8 1 1 A 72 72 ILE CA C 72 65.627 64.583 1.044 1
1 908 . 8 1 1 A 72 72 ILE CB C 72 36.771 37.678 -0.907 1
1 912 . 8 1 1 A 72 72 ILE N N 72 124.417 122.532 1.885 1
1 913 . 8 1 1 A 73 73 ALA H H 73 9.109 8.206 0.903 1
1 914 . 8 1 1 A 73 73 ALA HA H 73 3.974 4.075 -0.101 1
1 918 . 8 1 1 A 73 73 ALA C C 73 180.248 179.767 0.481 1
1 919 . 8 1 1 A 73 73 ALA CA C 73 55.232 55.287 -0.055 1
1 920 . 8 1 1 A 73 73 ALA CB C 73 18.338 18.250 0.088 1
1 921 . 8 1 1 A 73 73 ALA N N 73 119.077 123.867 -4.790 1
1 922 . 8 1 1 A 74 74 THR H H 74 7.112 8.073 -0.961 1
1 923 . 8 1 1 A 74 74 THR HA H 74 3.875 3.887 -0.012 1
1 928 . 8 1 1 A 74 74 THR C C 74 175.761 176.604 -0.843 1
1 929 . 8 1 1 A 74 74 THR CA C 74 65.841 66.936 -1.095 1
1 930 . 8 1 1 A 74 74 THR CB C 74 68.248 68.500 -0.252 1
1 932 . 8 1 1 A 74 74 THR N N 74 114.866 115.020 -0.154 1
1 933 . 8 1 1 A 75 75 VAL H H 75 8.087 8.018 0.069 1
1 934 . 8 1 1 A 75 75 VAL HA H 75 3.305 3.585 -0.280 1
1 942 . 8 1 1 A 75 75 VAL C C 75 177.048 178.078 -1.030 1
1 943 . 8 1 1 A 75 75 VAL CA C 75 67.681 66.574 1.107 1
1 944 . 8 1 1 A 75 75 VAL CB C 75 30.831 31.187 -0.356 1
1 947 . 8 1 1 A 75 75 VAL N N 75 123.901 121.620 2.281 1
1 948 . 8 1 1 A 76 76 GLY H H 76 7.673 8.297 -0.624 1
1 949 . 8 1 1 A 76 76 GLY HA2 H 76 2.235 3.365 -1.130 1
1 950 . 8 1 1 A 76 76 GLY HA3 H 76 3.003 3.757 -0.754 1
1 951 . 8 1 1 A 76 76 GLY C C 76 176.562 176.141 0.421 1
1 952 . 8 1 1 A 76 76 GLY CA C 76 46.293 46.916 -0.623 1
1 953 . 8 1 1 A 76 76 GLY N N 76 102.438 107.897 -5.459 1
1 954 . 8 1 1 A 77 77 ARG H H 77 7.760 7.670 0.090 1
1 955 . 8 1 1 A 77 77 ARG HA H 77 3.982 3.975 0.007 1
1 962 . 8 1 1 A 77 77 ARG C C 77 180.332 179.188 1.144 1
1 963 . 8 1 1 A 77 77 ARG CA C 77 59.550 59.316 0.234 1
1 964 . 8 1 1 A 77 77 ARG CB C 77 30.085 29.529 0.556 1
1 967 . 8 1 1 A 77 77 ARG N N 77 122.228 122.202 0.026 1
1 968 . 8 1 1 A 78 78 ASN H H 78 8.230 7.797 0.433 1
1 969 . 8 1 1 A 78 78 ASN HA H 78 4.397 4.417 -0.020 1
1 974 . 8 1 1 A 78 78 ASN C C 78 176.105 176.874 -0.769 1
1 975 . 8 1 1 A 78 78 ASN CA C 78 55.615 56.079 -0.464 1
1 976 . 8 1 1 A 78 78 ASN CB C 78 38.806 38.870 -0.064 1
1 978 . 8 1 1 A 78 78 ASN N N 78 119.139 117.865 1.274 1
1 980 . 8 1 1 A 79 79 VAL H H 79 7.323 6.751 0.572 1
1 981 . 8 1 1 A 79 79 VAL HA H 79 4.438 3.977 0.461 1
1 989 . 8 1 1 A 79 79 VAL C C 79 174.220 175.660 -1.440 1
1 990 . 8 1 1 A 79 79 VAL CA C 79 59.911 61.019 -1.108 1
1 991 . 8 1 1 A 79 79 VAL CB C 79 31.400 31.149 0.251 1
1 994 . 8 1 1 A 79 79 VAL N N 79 108.664 111.417 -2.753 1
1 995 . 8 1 1 A 80 80 GLY H H 80 7.286 7.771 -0.485 1
1 996 . 8 1 1 A 80 80 GLY HA2 H 80 3.540 3.667 -0.127 1
1 997 . 8 1 1 A 80 80 GLY HA3 H 80 4.023 3.773 0.250 1
1 998 . 8 1 1 A 80 80 GLY C C 80 174.383 174.228 0.155 1
1 999 . 8 1 1 A 80 80 GLY CA C 80 45.739 45.384 0.355 1
1 1000 . 8 1 1 A 80 80 GLY N N 80 104.635 109.834 -5.199 1
1 1001 . 8 1 1 A 81 81 PHE H H 81 8.535 7.606 0.929 1
1 1002 . 8 1 1 A 81 81 PHE HA H 81 4.845 4.360 0.485 1
1 1010 . 8 1 1 A 81 81 PHE C C 81 174.570 175.492 -0.922 1
1 1011 . 8 1 1 A 81 81 PHE CA C 81 56.375 58.484 -2.109 1
1 1012 . 8 1 1 A 81 81 PHE CB C 81 39.941 39.436 0.505 1
1 1018 . 8 1 1 A 81 81 PHE N N 81 119.772 118.965 0.807 1
1 1019 . 8 1 1 A 82 82 ASP H H 82 8.564 8.920 -0.356 1
1 1020 . 8 1 1 A 82 82 ASP HA H 82 4.491 4.553 -0.062 1
1 1023 . 8 1 1 A 82 82 ASP C C 82 175.170 176.012 -0.842 1
1 1024 . 8 1 1 A 82 82 ASP CA C 82 55.195 55.550 -0.355 1
1 1025 . 8 1 1 A 82 82 ASP CB C 82 41.010 41.405 -0.395 1
1 1026 . 8 1 1 A 82 82 ASP N N 82 123.028 123.338 -0.310 1
1 1027 . 8 1 1 A 83 83 ASP H H 83 7.789 7.697 0.092 1
1 1028 . 8 1 1 A 83 83 ASP HA H 83 4.947 4.894 0.053 1
1 1031 . 8 1 1 A 83 83 ASP C C 83 176.347 177.038 -0.691 1
1 1032 . 8 1 1 A 83 83 ASP CA C 83 52.690 53.872 -1.182 1
1 1033 . 8 1 1 A 83 83 ASP CB C 83 43.152 41.698 1.454 1
1 1034 . 8 1 1 A 83 83 ASP N N 83 118.576 120.259 -1.683 1
1 1035 . 8 1 1 A 84 84 GLN H H 84 9.104 8.722 0.382 1
1 1036 . 8 1 1 A 84 84 GLN HA H 84 4.333 4.198 0.135 1
1 1043 . 8 1 1 A 84 84 GLN C C 84 177.986 178.069 -0.083 1
1 1044 . 8 1 1 A 84 84 GLN CA C 84 58.909 58.569 0.340 1
1 1045 . 8 1 1 A 84 84 GLN CB C 84 28.267 28.023 0.244 1
1 1048 . 8 1 1 A 84 84 GLN N N 84 126.543 124.577 1.966 1
1 1050 . 8 1 1 A 85 85 LEU H H 85 8.419 8.087 0.332 1
1 1051 . 8 1 1 A 85 85 LEU HA H 85 4.210 4.097 0.113 1
1 1061 . 8 1 1 A 85 85 LEU C C 85 179.472 178.954 0.518 1
1 1062 . 8 1 1 A 85 85 LEU CA C 85 57.958 57.678 0.280 1
1 1063 . 8 1 1 A 85 85 LEU CB C 85 40.678 41.938 -1.260 1
1 1067 . 8 1 1 A 85 85 LEU N N 85 123.486 121.612 1.874 1
1 1068 . 8 1 1 A 86 86 TYR H H 86 8.042 8.439 -0.397 1
1 1069 . 8 1 1 A 86 86 TYR HA H 86 4.288 4.028 0.260 1
1 1076 . 8 1 1 A 86 86 TYR C C 86 177.195 176.989 0.206 1
1 1077 . 8 1 1 A 86 86 TYR CA C 86 60.367 61.597 -1.230 1
1 1078 . 8 1 1 A 86 86 TYR CB C 86 38.184 38.368 -0.184 1
1 1083 . 8 1 1 A 86 86 TYR N N 86 122.679 119.638 3.041 1
1 1084 . 8 1 1 A 87 87 PHE H H 87 8.219 8.155 0.064 1
1 1085 . 8 1 1 A 87 87 PHE HA H 87 3.261 3.774 -0.513 1
1 1093 . 8 1 1 A 87 87 PHE C C 87 175.875 177.228 -1.353 1
1 1094 . 8 1 1 A 87 87 PHE CA C 87 58.536 62.149 -3.613 1
1 1095 . 8 1 1 A 87 87 PHE CB C 87 38.124 39.445 -1.321 1
1 1101 . 8 1 1 A 87 87 PHE N N 87 116.536 118.188 -1.652 1
1 1102 . 8 1 1 A 88 88 SER H H 88 8.082 8.133 -0.051 1
1 1103 . 8 1 1 A 88 88 SER HA H 88 3.951 3.962 -0.011 1
1 1105 . 8 1 1 A 88 88 SER C C 88 175.926 176.538 -0.612 1
1 1106 . 8 1 1 A 88 88 SER CA C 88 62.398 61.536 0.862 1
1 1107 . 8 1 1 A 88 88 SER N N 88 112.937 115.623 -2.686 1
1 1108 . 8 1 1 A 89 89 ARG H H 89 7.843 8.009 -0.166 1
1 1109 . 8 1 1 A 89 89 ARG HA H 89 3.975 4.013 -0.038 1
1 1116 . 8 1 1 A 89 89 ARG C C 89 179.414 178.743 0.671 1
1 1117 . 8 1 1 A 89 89 ARG CA C 89 59.452 59.114 0.338 1
1 1118 . 8 1 1 A 89 89 ARG CB C 89 30.242 29.968 0.274 1
1 1121 . 8 1 1 A 89 89 ARG N N 89 121.621 122.015 -0.394 1
1 1122 . 8 1 1 A 90 90 VAL H H 90 8.235 7.606 0.629 1
1 1123 . 8 1 1 A 90 90 VAL HA H 90 3.530 3.430 0.100 1
1 1131 . 8 1 1 A 90 90 VAL C C 90 177.752 178.049 -0.297 1
1 1132 . 8 1 1 A 90 90 VAL CA C 90 66.208 66.134 0.074 1
1 1133 . 8 1 1 A 90 90 VAL CB C 90 31.649 31.717 -0.068 1
1 1136 . 8 1 1 A 90 90 VAL N N 90 122.095 119.787 2.308 1
1 1137 . 8 1 1 A 91 91 PHE H H 91 8.763 8.628 0.135 1
1 1138 . 8 1 1 A 91 91 PHE HA H 91 3.584 3.969 -0.385 1
1 1141 . 8 1 1 A 91 91 PHE C C 91 178.386 177.364 1.022 1
1 1142 . 8 1 1 A 91 91 PHE CA C 91 62.523 60.491 2.032 1
1 1143 . 8 1 1 A 91 91 PHE CB C 91 39.528 38.433 1.095 1
1 1144 . 8 1 1 A 91 91 PHE N N 91 121.769 120.039 1.730 1
1 1145 . 8 1 1 A 92 92 LYS H H 92 8.237 8.384 -0.147 1
1 1146 . 8 1 1 A 92 92 LYS HA H 92 4.217 4.212 0.005 1
1 1153 . 8 1 1 A 92 92 LYS C C 92 179.621 179.085 0.536 1
1 1154 . 8 1 1 A 92 92 LYS CA C 92 58.597 60.001 -1.404 1
1 1155 . 8 1 1 A 92 92 LYS CB C 92 32.290 32.518 -0.228 1
1 1159 . 8 1 1 A 92 92 LYS N N 92 121.441 118.193 3.248 1
1 1160 . 8 1 1 A 93 93 LYS H H 93 8.013 7.410 0.603 1
1 1161 . 8 1 1 A 93 93 LYS HA H 93 3.956 4.038 -0.082 1
1 1169 . 8 1 1 A 93 93 LYS C C 93 178.611 179.359 -0.748 1
1 1170 . 8 1 1 A 93 93 LYS CA C 93 59.356 58.965 0.391 1
1 1171 . 8 1 1 A 93 93 LYS CB C 93 31.785 31.783 0.002 1
1 1175 . 8 1 1 A 93 93 LYS N N 93 122.286 118.832 3.454 1
1 1176 . 8 1 1 A 94 94 CYS H H 94 7.818 7.575 0.243 1
1 1177 . 8 1 1 A 94 94 CYS HA H 94 4.224 3.913 0.311 1
1 1180 . 8 1 1 A 94 94 CYS C C 94 176.440 175.767 0.673 1
1 1181 . 8 1 1 A 94 94 CYS CA C 94 62.517 62.401 0.116 1
1 1182 . 8 1 1 A 94 94 CYS CB C 94 28.104 26.212 1.892 1
1 1183 . 8 1 1 A 94 94 CYS N N 94 113.581 118.779 -5.198 1
1 1184 . 8 1 1 A 95 95 THR H H 95 8.038 6.990 1.048 1
1 1185 . 8 1 1 A 95 95 THR HA H 95 4.397 4.377 0.020 1
1 1190 . 8 1 1 A 95 95 THR C C 95 176.237 175.732 0.505 1
1 1191 . 8 1 1 A 95 95 THR CA C 95 62.507 61.691 0.816 1
1 1192 . 8 1 1 A 95 95 THR CB C 95 71.481 70.434 1.047 1
1 1194 . 8 1 1 A 95 95 THR N N 95 106.903 108.381 -1.478 1
1 1195 . 8 1 1 A 96 96 GLY H H 96 8.526 8.718 -0.192 1
1 1196 . 8 1 1 A 96 96 GLY HA2 H 96 3.724 3.844 -0.120 1
1 1197 . 8 1 1 A 96 96 GLY HA3 H 96 4.374 3.856 0.518 1
1 1198 . 8 1 1 A 96 96 GLY C C 96 172.550 173.338 -0.788 1
1 1199 . 8 1 1 A 96 96 GLY CA C 96 45.264 45.233 0.031 1
1 1200 . 8 1 1 A 96 96 GLY N N 96 112.762 111.436 1.326 1
1 1201 . 8 1 1 A 97 97 ALA H H 97 8.560 7.094 1.466 1
1 1202 . 8 1 1 A 97 97 ALA HA H 97 4.841 4.804 0.037 1
1 1206 . 8 1 1 A 97 97 ALA C C 97 175.280 176.234 -0.954 1
1 1207 . 8 1 1 A 97 97 ALA CA C 97 50.176 51.114 -0.938 1
1 1208 . 8 1 1 A 97 97 ALA CB C 97 22.551 22.867 -0.316 1
1 1209 . 8 1 1 A 97 97 ALA N N 97 125.656 120.893 4.763 1
1 1210 . 8 1 1 A 98 98 SER H H 98 8.817 8.617 0.200 1
1 1211 . 8 1 1 A 98 98 SER HA H 98 4.656 4.769 -0.113 1
1 1212 . 8 1 1 A 98 98 SER CA C 98 56.612 56.911 -0.299 1
1 1213 . 8 1 1 A 98 98 SER N N 98 114.919 114.884 0.035 1
1 1214 . 8 1 1 A 99 99 PRO HA H 99 3.500 4.549 -1.049 1
1 1220 . 8 1 1 A 99 99 PRO C C 99 177.585 177.959 -0.374 1
1 1221 . 8 1 1 A 99 99 PRO CA C 99 66.202 64.607 1.595 1
1 1222 . 8 1 1 A 99 99 PRO CB C 99 32.030 31.852 0.178 1
1 1225 . 8 1 1 A 100 100 SER H H 100 8.254 8.220 0.034 1
1 1226 . 8 1 1 A 100 100 SER HA H 100 4.029 4.289 -0.260 1
1 1227 . 8 1 1 A 100 100 SER C C 100 177.441 177.015 0.426 1
1 1228 . 8 1 1 A 100 100 SER CA C 100 61.891 60.997 0.894 1
1 1229 . 8 1 1 A 100 100 SER N N 100 111.230 112.213 -0.983 1
1 1230 . 8 1 1 A 101 101 GLU H H 101 7.848 7.914 -0.066 1
1 1231 . 8 1 1 A 101 101 GLU HA H 101 4.021 4.077 -0.056 1
1 1236 . 8 1 1 A 101 101 GLU C C 101 179.288 178.766 0.522 1
1 1237 . 8 1 1 A 101 101 GLU CA C 101 58.822 59.373 -0.551 1
1 1238 . 8 1 1 A 101 101 GLU CB C 101 29.846 29.583 0.263 1
1 1240 . 8 1 1 A 101 101 GLU N N 101 125.150 121.501 3.649 1
1 1241 . 8 1 1 A 102 102 PHE H H 102 8.923 8.105 0.818 1
1 1242 . 8 1 1 A 102 102 PHE HA H 102 4.155 4.174 -0.019 1
1 1245 . 8 1 1 A 102 102 PHE C C 102 178.343 177.504 0.839 1
1 1246 . 8 1 1 A 102 102 PHE CA C 102 61.315 61.598 -0.283 1
1 1247 . 8 1 1 A 102 102 PHE CB C 102 40.083 39.358 0.725 1
1 1248 . 8 1 1 A 102 102 PHE N N 102 121.281 120.645 0.636 1
1 1249 . 8 1 1 A 103 103 ARG H H 103 8.210 8.430 -0.220 1
1 1250 . 8 1 1 A 103 103 ARG HA H 103 3.830 4.007 -0.177 1
1 1257 . 8 1 1 A 103 103 ARG C C 103 177.602 178.234 -0.632 1
1 1258 . 8 1 1 A 103 103 ARG CA C 103 59.235 59.462 -0.227 1
1 1261 . 8 1 1 A 103 103 ARG N N 103 119.223 118.726 0.497 1
1 1262 . 8 1 1 A 104 104 ALA H H 104 7.905 7.185 0.720 1
1 1263 . 8 1 1 A 104 104 ALA HA H 104 4.186 4.229 -0.043 1
1 1267 . 8 1 1 A 104 104 ALA C C 104 179.126 177.906 1.220 1
1 1268 . 8 1 1 A 104 104 ALA CA C 104 54.188 52.678 1.510 1
1 1269 . 8 1 1 A 104 104 ALA CB C 104 18.254 19.608 -1.354 1
1 1270 . 8 1 1 A 104 104 ALA N N 104 120.546 119.488 1.058 1
1 1271 . 8 1 1 A 105 105 GLY H H 105 7.676 7.831 -0.155 1
1 1272 . 8 1 1 A 105 105 GLY HA2 H 105 3.849 3.764 0.085 1
1 1273 . 8 1 1 A 105 105 GLY HA3 H 105 4.052 3.851 0.201 1
1 1274 . 8 1 1 A 105 105 GLY C C 105 174.515 174.306 0.209 1
1 1275 . 8 1 1 A 105 105 GLY CA C 105 45.317 45.082 0.235 1
1 1276 . 8 1 1 A 105 105 GLY N N 105 104.677 106.886 -2.209 1
1 1277 . 8 1 1 A 106 106 CYS H H 106 7.599 7.945 -0.346 1
1 1278 . 8 1 1 A 106 106 CYS HA H 106 4.447 4.406 0.041 1
1 1281 . 8 1 1 A 106 106 CYS C C 106 173.823 176.040 -2.217 1
1 1282 . 8 1 1 A 106 106 CYS CA C 106 59.123 59.764 -0.641 1
1 1283 . 8 1 1 A 106 106 CYS CB C 106 28.004 28.462 -0.458 1
1 1284 . 8 1 1 A 106 106 CYS N N 106 118.321 119.897 -1.576 1
1 14 . 9 1 1 A 2 2 ASP H H 2 8.989 8.557 0.432 1
1 15 . 9 1 1 A 2 2 ASP HA H 2 4.662 4.634 0.028 1
1 18 . 9 1 1 A 2 2 ASP C C 2 177.024 177.156 -0.132 1
1 19 . 9 1 1 A 2 2 ASP CA C 2 54.092 54.396 -0.304 1
1 20 . 9 1 1 A 2 2 ASP CB C 2 42.743 42.816 -0.073 1
1 21 . 9 1 1 A 2 2 ASP N N 2 126.287 126.479 -0.192 1
1 22 . 9 1 1 A 3 3 ASN H H 3 9.165 8.812 0.353 1
1 23 . 9 1 1 A 3 3 ASN HA H 3 4.446 4.344 0.102 1
1 28 . 9 1 1 A 3 3 ASN C C 3 177.306 177.291 0.015 1
1 29 . 9 1 1 A 3 3 ASN CA C 3 56.355 56.924 -0.569 1
1 30 . 9 1 1 A 3 3 ASN CB C 3 38.382 37.983 0.399 1
1 32 . 9 1 1 A 3 3 ASN N N 3 124.055 123.336 0.719 1
1 34 . 9 1 1 A 4 4 ARG H H 4 9.092 7.762 1.330 1
1 35 . 9 1 1 A 4 4 ARG HA H 4 4.183 4.047 0.136 1
1 42 . 9 1 1 A 4 4 ARG C C 4 178.824 178.631 0.193 1
1 43 . 9 1 1 A 4 4 ARG CA C 4 59.401 59.275 0.126 1
1 44 . 9 1 1 A 4 4 ARG CB C 4 29.437 29.872 -0.435 1
1 47 . 9 1 1 A 4 4 ARG N N 4 119.970 119.436 0.534 1
1 48 . 9 1 1 A 5 5 VAL H H 5 7.588 7.904 -0.316 1
1 49 . 9 1 1 A 5 5 VAL HA H 5 3.458 3.569 -0.111 1
1 57 . 9 1 1 A 5 5 VAL C C 5 177.573 178.273 -0.700 1
1 58 . 9 1 1 A 5 5 VAL CA C 5 66.543 66.617 -0.074 1
1 59 . 9 1 1 A 5 5 VAL CB C 5 31.294 31.203 0.091 1
1 62 . 9 1 1 A 5 5 VAL N N 5 119.312 119.820 -0.508 1
1 63 . 9 1 1 A 6 6 ARG H H 6 7.920 8.111 -0.191 1
1 64 . 9 1 1 A 6 6 ARG HA H 6 3.860 3.922 -0.062 1
1 71 . 9 1 1 A 6 6 ARG C C 6 179.380 178.867 0.513 1
1 72 . 9 1 1 A 6 6 ARG CA C 6 60.197 59.546 0.651 1
1 73 . 9 1 1 A 6 6 ARG CB C 6 29.818 29.809 0.009 1
1 76 . 9 1 1 A 6 6 ARG N N 6 120.863 120.027 0.836 1
1 77 . 9 1 1 A 7 7 GLU H H 7 8.262 8.530 -0.268 1
1 78 . 9 1 1 A 7 7 GLU HA H 7 4.241 4.125 0.116 1
1 83 . 9 1 1 A 7 7 GLU C C 7 179.131 179.391 -0.260 1
1 84 . 9 1 1 A 7 7 GLU CA C 7 58.770 59.499 -0.729 1
1 85 . 9 1 1 A 7 7 GLU CB C 7 28.883 29.352 -0.469 1
1 87 . 9 1 1 A 7 7 GLU N N 7 119.166 119.307 -0.141 1
1 88 . 9 1 1 A 8 8 ALA H H 8 8.421 8.044 0.377 1
1 89 . 9 1 1 A 8 8 ALA HA H 8 4.046 4.439 -0.393 1
1 93 . 9 1 1 A 8 8 ALA C C 8 179.202 179.818 -0.616 1
1 94 . 9 1 1 A 8 8 ALA CA C 8 55.610 55.301 0.309 1
1 95 . 9 1 1 A 8 8 ALA CB C 8 18.512 18.598 -0.086 1
1 96 . 9 1 1 A 8 8 ALA N N 8 123.947 122.449 1.498 1
1 97 . 9 1 1 A 9 9 CYS H H 9 8.490 8.249 0.241 1
1 98 . 9 1 1 A 9 9 CYS HA H 9 3.767 4.306 -0.539 1
1 101 . 9 1 1 A 9 9 CYS C C 9 176.858 177.279 -0.421 1
1 102 . 9 1 1 A 9 9 CYS CA C 9 64.480 62.494 1.986 1
1 103 . 9 1 1 A 9 9 CYS CB C 9 26.690 27.188 -0.498 1
1 104 . 9 1 1 A 9 9 CYS N N 9 116.232 118.265 -2.033 1
1 105 . 9 1 1 A 10 10 GLN H H 10 8.088 8.183 -0.095 1
1 106 . 9 1 1 A 10 10 GLN HA H 10 4.022 4.208 -0.186 1
1 113 . 9 1 1 A 10 10 GLN C C 10 177.140 177.934 -0.794 1
1 114 . 9 1 1 A 10 10 GLN CA C 10 58.804 58.736 0.068 1
1 115 . 9 1 1 A 10 10 GLN CB C 10 28.299 28.761 -0.462 1
1 118 . 9 1 1 A 10 10 GLN N N 10 120.817 120.820 -0.003 1
1 120 . 9 1 1 A 11 11 TYR H H 11 8.367 7.637 0.730 1
1 121 . 9 1 1 A 11 11 TYR HA H 11 4.308 4.161 0.147 1
1 128 . 9 1 1 A 11 11 TYR C C 11 178.986 177.265 1.721 1
1 129 . 9 1 1 A 11 11 TYR CA C 11 61.850 61.466 0.384 1
1 130 . 9 1 1 A 11 11 TYR CB C 11 38.653 38.510 0.143 1
1 135 . 9 1 1 A 11 11 TYR N N 11 120.419 120.727 -0.308 1
1 136 . 9 1 1 A 12 12 ILE H H 12 8.886 8.516 0.370 1
1 137 . 9 1 1 A 12 12 ILE HA H 12 3.700 3.347 0.353 1
1 147 . 9 1 1 A 12 12 ILE C C 12 179.352 178.031 1.321 1
1 148 . 9 1 1 A 12 12 ILE CA C 12 65.621 65.306 0.315 1
1 149 . 9 1 1 A 12 12 ILE CB C 12 38.203 38.107 0.096 1
1 153 . 9 1 1 A 12 12 ILE N N 12 119.720 121.451 -1.731 1
1 154 . 9 1 1 A 13 13 SER H H 13 8.740 8.649 0.091 1
1 155 . 9 1 1 A 13 13 SER HA H 13 4.753 4.126 0.627 1
1 158 . 9 1 1 A 13 13 SER C C 13 176.355 176.408 -0.053 1
1 159 . 9 1 1 A 13 13 SER CA C 13 62.551 61.471 1.080 1
1 160 . 9 1 1 A 13 13 SER CB C 13 62.468 62.246 0.222 1
1 161 . 9 1 1 A 13 13 SER N N 13 116.217 115.255 0.962 1
1 162 . 9 1 1 A 14 14 ASP H H 14 8.426 8.008 0.418 1
1 163 . 9 1 1 A 14 14 ASP HA H 14 4.438 4.376 0.062 1
1 166 . 9 1 1 A 14 14 ASP C C 14 176.838 177.483 -0.645 1
1 167 . 9 1 1 A 14 14 ASP CA C 14 55.988 56.653 -0.665 1
1 168 . 9 1 1 A 14 14 ASP CB C 14 40.500 40.812 -0.312 1
1 169 . 9 1 1 A 14 14 ASP N N 14 121.201 122.184 -0.983 1
1 170 . 9 1 1 A 15 15 HIS H H 15 7.530 7.668 -0.138 1
1 171 . 9 1 1 A 15 15 HIS HA H 15 4.661 4.649 0.012 1
1 176 . 9 1 1 A 15 15 HIS C C 15 175.451 175.570 -0.119 1
1 177 . 9 1 1 A 15 15 HIS CA C 15 55.320 55.059 0.261 1
1 178 . 9 1 1 A 15 15 HIS CB C 15 28.275 29.522 -1.247 1
1 181 . 9 1 1 A 15 15 HIS N N 15 116.777 115.038 1.739 1
1 182 . 9 1 1 A 16 16 LEU H H 16 7.271 7.423 -0.152 1
1 183 . 9 1 1 A 16 16 LEU HA H 16 3.812 3.753 0.059 1
1 193 . 9 1 1 A 16 16 LEU C C 16 176.627 178.160 -1.533 1
1 194 . 9 1 1 A 16 16 LEU CA C 16 58.076 57.700 0.376 1
1 195 . 9 1 1 A 16 16 LEU CB C 16 42.531 41.446 1.085 1
1 199 . 9 1 1 A 16 16 LEU N N 16 122.531 122.440 0.091 1
1 200 . 9 1 1 A 17 17 ALA H H 17 8.243 7.213 1.030 1
1 201 . 9 1 1 A 17 17 ALA HA H 17 3.937 4.209 -0.272 1
1 205 . 9 1 1 A 17 17 ALA C C 17 177.131 176.878 0.253 1
1 206 . 9 1 1 A 17 17 ALA CA C 17 51.802 51.763 0.039 1
1 207 . 9 1 1 A 17 17 ALA CB C 17 18.473 20.076 -1.603 1
1 208 . 9 1 1 A 17 17 ALA N N 17 116.354 119.298 -2.944 1
1 209 . 9 1 1 A 18 18 ASP H H 18 7.488 7.406 0.082 1
1 210 . 9 1 1 A 18 18 ASP HA H 18 4.455 4.584 -0.129 1
1 213 . 9 1 1 A 18 18 ASP C C 18 177.370 175.850 1.520 1
1 214 . 9 1 1 A 18 18 ASP CA C 18 54.571 54.528 0.043 1
1 215 . 9 1 1 A 18 18 ASP CB C 18 40.521 41.299 -0.778 1
1 216 . 9 1 1 A 18 18 ASP N N 18 119.230 118.958 0.272 1
1 217 . 9 1 1 A 19 19 SER H H 19 8.793 8.869 -0.076 1
1 218 . 9 1 1 A 19 19 SER HA H 19 4.424 4.506 -0.082 1
1 221 . 9 1 1 A 19 19 SER C C 19 174.779 174.455 0.324 1
1 222 . 9 1 1 A 19 19 SER CA C 19 59.706 60.657 -0.951 1
1 223 . 9 1 1 A 19 19 SER CB C 19 63.351 64.071 -0.720 1
1 224 . 9 1 1 A 19 19 SER N N 19 119.892 118.460 1.432 1
1 225 . 9 1 1 A 20 20 ASN H H 20 8.520 8.091 0.429 1
1 226 . 9 1 1 A 20 20 ASN HA H 20 4.869 4.804 0.065 1
1 231 . 9 1 1 A 20 20 ASN C C 20 173.838 174.697 -0.859 1
1 232 . 9 1 1 A 20 20 ASN CA C 20 52.586 53.572 -0.986 1
1 233 . 9 1 1 A 20 20 ASN CB C 20 38.799 38.686 0.113 1
1 235 . 9 1 1 A 20 20 ASN N N 20 119.769 118.700 1.069 1
1 237 . 9 1 1 A 21 21 PHE H H 21 8.082 8.995 -0.913 1
1 238 . 9 1 1 A 21 21 PHE HA H 21 4.397 5.306 -0.909 1
1 246 . 9 1 1 A 21 21 PHE C C 21 173.520 173.384 0.136 1
1 247 . 9 1 1 A 21 21 PHE CA C 21 58.672 56.260 2.412 1
1 248 . 9 1 1 A 21 21 PHE CB C 21 40.704 42.057 -1.353 1
1 254 . 9 1 1 A 21 21 PHE N N 21 121.875 126.070 -4.195 1
1 255 . 9 1 1 A 22 22 ASP H H 22 7.570 8.534 -0.964 1
1 256 . 9 1 1 A 22 22 ASP HA H 22 4.563 4.793 -0.230 1
1 259 . 9 1 1 A 22 22 ASP C C 22 175.674 175.925 -0.251 1
1 260 . 9 1 1 A 22 22 ASP CA C 22 52.049 52.322 -0.273 1
1 261 . 9 1 1 A 22 22 ASP CB C 22 43.023 41.926 1.097 1
1 262 . 9 1 1 A 22 22 ASP N N 22 126.780 127.862 -1.082 1
1 263 . 9 1 1 A 23 23 ILE H H 23 8.720 8.360 0.360 1
1 264 . 9 1 1 A 23 23 ILE HA H 23 3.555 3.531 0.024 1
1 274 . 9 1 1 A 23 23 ILE C C 23 176.441 177.282 -0.841 1
1 275 . 9 1 1 A 23 23 ILE CA C 23 63.650 63.447 0.203 1
1 276 . 9 1 1 A 23 23 ILE CB C 23 37.741 37.853 -0.112 1
1 280 . 9 1 1 A 23 23 ILE N N 23 124.815 126.859 -2.044 1
1 281 . 9 1 1 A 24 24 ALA H H 24 8.543 8.229 0.314 1
1 282 . 9 1 1 A 24 24 ALA HA H 24 3.917 3.968 -0.051 1
1 286 . 9 1 1 A 24 24 ALA C C 24 180.227 179.596 0.631 1
1 287 . 9 1 1 A 24 24 ALA CA C 24 55.413 55.388 0.025 1
1 288 . 9 1 1 A 24 24 ALA CB C 24 17.760 18.187 -0.427 1
1 289 . 9 1 1 A 24 24 ALA N N 24 123.943 124.113 -0.170 1
1 290 . 9 1 1 A 25 25 SER H H 25 7.844 7.859 -0.015 1
1 291 . 9 1 1 A 25 25 SER HA H 25 4.246 4.028 0.218 1
1 293 . 9 1 1 A 25 25 SER C C 25 176.667 176.254 0.413 1
1 294 . 9 1 1 A 25 25 SER CA C 25 61.238 61.568 -0.330 1
1 295 . 9 1 1 A 25 25 SER CB C 25 62.402 62.838 -0.436 1
1 296 . 9 1 1 A 25 25 SER N N 25 114.143 113.458 0.685 1
1 297 . 9 1 1 A 26 26 VAL H H 26 7.086 7.988 -0.902 1
1 298 . 9 1 1 A 26 26 VAL HA H 26 3.198 3.736 -0.538 1
1 306 . 9 1 1 A 26 26 VAL C C 26 176.670 178.337 -1.667 1
1 307 . 9 1 1 A 26 26 VAL CA C 26 64.809 66.761 -1.952 1
1 308 . 9 1 1 A 26 26 VAL CB C 26 31.274 31.570 -0.296 1
1 311 . 9 1 1 A 26 26 VAL N N 26 122.369 122.130 0.239 1
1 312 . 9 1 1 A 27 27 ALA H H 27 8.043 7.871 0.172 1
1 313 . 9 1 1 A 27 27 ALA HA H 27 3.775 3.966 -0.191 1
1 317 . 9 1 1 A 27 27 ALA C C 27 178.948 179.767 -0.819 1
1 318 . 9 1 1 A 27 27 ALA CA C 27 55.507 55.367 0.140 1
1 319 . 9 1 1 A 27 27 ALA CB C 27 17.412 18.139 -0.727 1
1 320 . 9 1 1 A 27 27 ALA N N 27 122.045 121.832 0.213 1
1 321 . 9 1 1 A 28 28 GLN H H 28 8.089 8.046 0.043 1
1 322 . 9 1 1 A 28 28 GLN HA H 28 4.053 4.042 0.011 1
1 329 . 9 1 1 A 28 28 GLN C C 28 179.289 178.424 0.865 1
1 330 . 9 1 1 A 28 28 GLN CA C 28 58.625 58.773 -0.148 1
1 331 . 9 1 1 A 28 28 GLN CB C 28 28.155 28.229 -0.074 1
1 334 . 9 1 1 A 28 28 GLN N N 28 116.168 118.200 -2.032 1
1 336 . 9 1 1 A 29 29 HIS H H 29 7.454 7.935 -0.481 1
1 337 . 9 1 1 A 29 29 HIS HA H 29 4.209 4.098 0.111 1
1 342 . 9 1 1 A 29 29 HIS C C 29 175.895 176.962 -1.067 1
1 343 . 9 1 1 A 29 29 HIS CA C 29 59.132 59.303 -0.171 1
1 344 . 9 1 1 A 29 29 HIS CB C 29 28.947 29.748 -0.801 1
1 347 . 9 1 1 A 29 29 HIS N N 29 118.117 120.008 -1.891 1
1 348 . 9 1 1 A 30 30 VAL H H 30 7.309 7.346 -0.037 1
1 349 . 9 1 1 A 30 30 VAL HA H 30 4.441 4.025 0.416 1
1 357 . 9 1 1 A 30 30 VAL C C 30 173.598 174.464 -0.866 1
1 358 . 9 1 1 A 30 30 VAL CA C 30 59.948 60.700 -0.752 1
1 359 . 9 1 1 A 30 30 VAL CB C 30 31.067 31.137 -0.070 1
1 362 . 9 1 1 A 30 30 VAL N N 30 106.791 109.775 -2.984 1
1 363 . 9 1 1 A 31 31 CYS H H 31 7.837 8.015 -0.178 1
1 364 . 9 1 1 A 31 31 CYS HA H 31 3.929 4.109 -0.180 1
1 367 . 9 1 1 A 31 31 CYS C C 31 173.679 173.265 0.414 1
1 368 . 9 1 1 A 31 31 CYS CA C 31 59.814 60.417 -0.603 1
1 369 . 9 1 1 A 31 31 CYS CB C 31 24.898 25.971 -1.073 1
1 370 . 9 1 1 A 31 31 CYS N N 31 116.363 117.245 -0.882 1
1 371 . 9 1 1 A 32 32 LEU H H 32 8.061 7.803 0.258 1
1 372 . 9 1 1 A 32 32 LEU HA H 32 4.871 4.791 0.080 1
1 382 . 9 1 1 A 32 32 LEU C C 32 176.243 175.086 1.157 1
1 383 . 9 1 1 A 32 32 LEU CA C 32 52.555 53.632 -1.077 1
1 384 . 9 1 1 A 32 32 LEU CB C 32 48.238 45.650 2.588 1
1 388 . 9 1 1 A 32 32 LEU N N 32 118.159 119.990 -1.831 1
1 389 . 9 1 1 A 33 33 SER H H 33 8.221 8.723 -0.502 1
1 390 . 9 1 1 A 33 33 SER N N 33 116.259 116.925 -0.666 1
1 391 . 9 1 1 A 34 34 PRO HA H 34 3.951 4.382 -0.431 1
1 398 . 9 1 1 A 34 34 PRO C C 34 178.473 178.301 0.172 1
1 399 . 9 1 1 A 34 34 PRO CA C 34 66.404 64.865 1.539 1
1 400 . 9 1 1 A 34 34 PRO CB C 34 31.712 32.078 -0.366 1
1 403 . 9 1 1 A 35 35 SER H H 35 8.343 8.201 0.142 1
1 404 . 9 1 1 A 35 35 SER HA H 35 4.192 4.225 -0.033 1
1 406 . 9 1 1 A 35 35 SER C C 35 177.361 177.229 0.132 1
1 407 . 9 1 1 A 35 35 SER CA C 35 61.358 61.334 0.024 1
1 408 . 9 1 1 A 35 35 SER CB C 35 62.140 62.698 -0.558 1
1 409 . 9 1 1 A 35 35 SER N N 35 111.653 112.849 -1.196 1
1 410 . 9 1 1 A 36 36 ARG H H 36 7.868 7.939 -0.071 1
1 411 . 9 1 1 A 36 36 ARG HA H 36 4.243 4.096 0.147 1
1 418 . 9 1 1 A 36 36 ARG C C 36 178.850 178.870 -0.020 1
1 419 . 9 1 1 A 36 36 ARG CA C 36 58.714 59.078 -0.364 1
1 420 . 9 1 1 A 36 36 ARG CB C 36 29.804 30.042 -0.238 1
1 423 . 9 1 1 A 36 36 ARG N N 36 124.303 121.492 2.811 1
1 424 . 9 1 1 A 37 37 LEU H H 37 8.593 7.963 0.630 1
1 425 . 9 1 1 A 37 37 LEU HA H 37 4.052 4.146 -0.094 1
1 435 . 9 1 1 A 37 37 LEU C C 37 177.894 178.985 -1.091 1
1 436 . 9 1 1 A 37 37 LEU CA C 37 58.289 58.242 0.047 1
1 437 . 9 1 1 A 37 37 LEU CB C 37 40.775 41.493 -0.718 1
1 441 . 9 1 1 A 37 37 LEU N N 37 119.319 122.087 -2.768 1
1 442 . 9 1 1 A 38 38 SER H H 38 8.478 8.381 0.097 1
1 443 . 9 1 1 A 38 38 SER HA H 38 4.066 4.173 -0.107 1
1 444 . 9 1 1 A 38 38 SER C C 38 176.577 175.902 0.675 1
1 445 . 9 1 1 A 38 38 SER CA C 38 62.824 62.988 -0.164 1
1 446 . 9 1 1 A 38 38 SER N N 38 113.612 116.236 -2.624 1
1 447 . 9 1 1 A 39 39 HIS H H 39 7.983 7.694 0.289 1
1 448 . 9 1 1 A 39 39 HIS HA H 39 4.403 4.276 0.127 1
1 453 . 9 1 1 A 39 39 HIS C C 39 177.138 176.773 0.365 1
1 454 . 9 1 1 A 39 39 HIS CA C 39 59.316 60.067 -0.751 1
1 455 . 9 1 1 A 39 39 HIS CB C 39 29.226 30.171 -0.945 1
1 458 . 9 1 1 A 39 39 HIS N N 39 119.938 122.435 -2.497 1
1 459 . 9 1 1 A 40 40 LEU H H 40 8.432 8.216 0.216 1
1 460 . 9 1 1 A 40 40 LEU HA H 40 4.045 4.007 0.038 1
1 470 . 9 1 1 A 40 40 LEU C C 40 178.876 179.220 -0.344 1
1 471 . 9 1 1 A 40 40 LEU CA C 40 57.990 57.770 0.220 1
1 472 . 9 1 1 A 40 40 LEU CB C 40 42.609 41.756 0.853 1
1 476 . 9 1 1 A 40 40 LEU N N 40 120.053 118.635 1.418 1
1 477 . 9 1 1 A 41 41 PHE H H 41 8.937 8.792 0.145 1
1 478 . 9 1 1 A 41 41 PHE HA H 41 3.736 3.946 -0.210 1
1 486 . 9 1 1 A 41 41 PHE C C 41 178.022 177.609 0.413 1
1 487 . 9 1 1 A 41 41 PHE CA C 41 62.523 61.932 0.591 1
1 488 . 9 1 1 A 41 41 PHE CB C 41 39.534 38.992 0.542 1
1 494 . 9 1 1 A 41 41 PHE N N 41 120.491 119.690 0.801 1
1 495 . 9 1 1 A 42 42 ARG H H 42 8.009 8.118 -0.109 1
1 496 . 9 1 1 A 42 42 ARG HA H 42 4.021 4.381 -0.360 1
1 502 . 9 1 1 A 42 42 ARG C C 42 179.850 178.325 1.525 1
1 503 . 9 1 1 A 42 42 ARG CA C 42 59.243 59.020 0.223 1
1 504 . 9 1 1 A 42 42 ARG CB C 42 29.748 29.521 0.227 1
1 507 . 9 1 1 A 42 42 ARG N N 42 117.688 119.095 -1.407 1
1 508 . 9 1 1 A 43 43 GLN H H 43 8.286 7.476 0.810 1
1 509 . 9 1 1 A 43 43 GLN HA H 43 4.006 4.005 0.001 1
1 516 . 9 1 1 A 43 43 GLN C C 43 177.917 178.395 -0.478 1
1 517 . 9 1 1 A 43 43 GLN CA C 43 58.715 58.895 -0.180 1
1 518 . 9 1 1 A 43 43 GLN CB C 43 29.345 28.515 0.830 1
1 521 . 9 1 1 A 43 43 GLN N N 43 118.179 118.690 -0.511 1
1 523 . 9 1 1 A 44 44 GLN H H 44 8.296 8.190 0.106 1
1 524 . 9 1 1 A 44 44 GLN HA H 44 4.208 4.111 0.097 1
1 531 . 9 1 1 A 44 44 GLN C C 44 177.314 177.417 -0.103 1
1 532 . 9 1 1 A 44 44 GLN CA C 44 57.913 58.086 -0.173 1
1 533 . 9 1 1 A 44 44 GLN CB C 44 29.027 28.797 0.230 1
1 536 . 9 1 1 A 44 44 GLN N N 44 114.928 117.898 -2.970 1
1 538 . 9 1 1 A 45 45 LEU H H 45 8.463 8.062 0.401 1
1 539 . 9 1 1 A 45 45 LEU HA H 45 4.567 4.258 0.309 1
1 549 . 9 1 1 A 45 45 LEU C C 45 178.381 177.316 1.065 1
1 550 . 9 1 1 A 45 45 LEU CA C 45 54.564 55.032 -0.468 1
1 551 . 9 1 1 A 45 45 LEU CB C 45 43.031 42.298 0.733 1
1 555 . 9 1 1 A 45 45 LEU N N 45 117.028 116.694 0.334 1
1 556 . 9 1 1 A 46 46 GLY H H 46 7.852 8.847 -0.995 1
1 557 . 9 1 1 A 46 46 GLY HA2 H 46 4.005 3.884 0.121 1
1 558 . 9 1 1 A 46 46 GLY HA3 H 46 4.167 3.890 0.277 1
1 559 . 9 1 1 A 46 46 GLY C C 46 173.114 173.468 -0.354 1
1 560 . 9 1 1 A 46 46 GLY CA C 46 46.080 46.058 0.022 1
1 561 . 9 1 1 A 46 46 GLY N N 46 108.569 108.165 0.404 1
1 562 . 9 1 1 A 47 47 ILE H H 47 7.281 7.564 -0.283 1
1 563 . 9 1 1 A 47 47 ILE HA H 47 4.735 4.892 -0.157 1
1 573 . 9 1 1 A 47 47 ILE C C 47 172.231 174.577 -2.346 1
1 574 . 9 1 1 A 47 47 ILE CA C 47 59.240 58.904 0.336 1
1 575 . 9 1 1 A 47 47 ILE CB C 47 42.470 42.161 0.309 1
1 579 . 9 1 1 A 47 47 ILE N N 47 115.396 115.999 -0.603 1
1 580 . 9 1 1 A 48 48 SER H H 48 8.298 8.709 -0.411 1
1 581 . 9 1 1 A 48 48 SER HA H 48 4.725 4.671 0.054 1
1 584 . 9 1 1 A 48 48 SER C C 48 174.600 175.558 -0.958 1
1 585 . 9 1 1 A 48 48 SER CA C 48 57.092 58.522 -1.430 1
1 586 . 9 1 1 A 48 48 SER CB C 48 65.286 63.959 1.327 1
1 587 . 9 1 1 A 48 48 SER N N 48 115.685 118.616 -2.931 1
1 588 . 9 1 1 A 49 49 VAL H H 49 8.296 8.819 -0.523 1
1 589 . 9 1 1 A 49 49 VAL HA H 49 3.081 3.816 -0.735 1
1 597 . 9 1 1 A 49 49 VAL C C 49 177.888 177.454 0.434 1
1 598 . 9 1 1 A 49 49 VAL CA C 49 65.881 67.469 -1.588 1
1 599 . 9 1 1 A 49 49 VAL CB C 49 31.149 31.714 -0.565 1
1 602 . 9 1 1 A 49 49 VAL N N 49 120.175 127.476 -7.301 1
1 603 . 9 1 1 A 50 50 LEU H H 50 8.138 8.296 -0.158 1
1 604 . 9 1 1 A 50 50 LEU HA H 50 4.011 4.132 -0.121 1
1 614 . 9 1 1 A 50 50 LEU C C 50 180.412 179.970 0.442 1
1 615 . 9 1 1 A 50 50 LEU CA C 50 57.962 57.829 0.133 1
1 616 . 9 1 1 A 50 50 LEU CB C 50 41.224 40.925 0.299 1
1 620 . 9 1 1 A 50 50 LEU N N 50 116.998 118.837 -1.839 1
1 621 . 9 1 1 A 51 51 SER H H 51 8.087 8.244 -0.157 1
1 622 . 9 1 1 A 51 51 SER HA H 51 4.279 4.204 0.075 1
1 624 . 9 1 1 A 51 51 SER C C 51 176.081 175.946 0.135 1
1 625 . 9 1 1 A 51 51 SER CA C 51 62.174 62.601 -0.427 1
1 626 . 9 1 1 A 51 51 SER N N 51 117.207 114.728 2.479 1
1 627 . 9 1 1 A 52 52 TRP H H 52 8.913 8.247 0.666 1
1 628 . 9 1 1 A 52 52 TRP HA H 52 4.067 4.234 -0.167 1
1 637 . 9 1 1 A 52 52 TRP C C 52 178.579 178.005 0.574 1
1 638 . 9 1 1 A 52 52 TRP CA C 52 63.288 61.149 2.139 1
1 639 . 9 1 1 A 52 52 TRP CB C 52 29.159 29.858 -0.699 1
1 645 . 9 1 1 A 52 52 TRP N N 52 124.958 124.168 0.790 1
1 647 . 9 1 1 A 53 53 ARG H H 53 8.547 8.165 0.382 1
1 648 . 9 1 1 A 53 53 ARG HA H 53 3.578 3.495 0.083 1
1 654 . 9 1 1 A 53 53 ARG C C 53 177.290 178.783 -1.493 1
1 655 . 9 1 1 A 53 53 ARG CA C 53 60.443 59.429 1.014 1
1 656 . 9 1 1 A 53 53 ARG CB C 53 30.001 29.755 0.246 1
1 659 . 9 1 1 A 53 53 ARG N N 53 118.356 119.066 -0.710 1
1 660 . 9 1 1 A 54 54 GLU H H 54 8.002 7.594 0.408 1
1 661 . 9 1 1 A 54 54 GLU HA H 54 4.016 4.082 -0.066 1
1 666 . 9 1 1 A 54 54 GLU C C 54 178.460 178.416 0.044 1
1 667 . 9 1 1 A 54 54 GLU CA C 54 59.982 59.484 0.498 1
1 668 . 9 1 1 A 54 54 GLU CB C 54 29.759 29.219 0.540 1
1 670 . 9 1 1 A 54 54 GLU N N 54 118.818 119.013 -0.195 1
1 671 . 9 1 1 A 55 55 ASP H H 55 8.111 8.337 -0.226 1
1 672 . 9 1 1 A 55 55 ASP HA H 55 4.289 4.329 -0.040 1
1 675 . 9 1 1 A 55 55 ASP C C 55 179.313 178.437 0.876 1
1 676 . 9 1 1 A 55 55 ASP CA C 55 57.131 57.563 -0.432 1
1 677 . 9 1 1 A 55 55 ASP CB C 55 40.227 41.650 -1.423 1
1 678 . 9 1 1 A 55 55 ASP N N 55 119.156 119.996 -0.840 1
1 679 . 9 1 1 A 56 56 GLN H H 56 8.099 7.758 0.341 1
1 680 . 9 1 1 A 56 56 GLN HA H 56 3.781 3.857 -0.076 1
1 687 . 9 1 1 A 56 56 GLN C C 56 178.700 178.322 0.378 1
1 688 . 9 1 1 A 56 56 GLN CA C 56 57.487 58.641 -1.154 1
1 689 . 9 1 1 A 56 56 GLN CB C 56 27.430 27.576 -0.146 1
1 692 . 9 1 1 A 56 56 GLN N N 56 119.807 117.981 1.826 1
1 694 . 9 1 1 A 57 57 ARG H H 57 8.240 7.601 0.639 1
1 695 . 9 1 1 A 57 57 ARG HA H 57 3.898 3.990 -0.092 1
1 702 . 9 1 1 A 57 57 ARG C C 57 178.185 178.551 -0.366 1
1 703 . 9 1 1 A 57 57 ARG CA C 57 60.671 59.035 1.636 1
1 704 . 9 1 1 A 57 57 ARG CB C 57 31.221 29.709 1.512 1
1 707 . 9 1 1 A 57 57 ARG N N 57 120.129 119.441 0.688 1
1 708 . 9 1 1 A 58 58 ILE H H 58 7.885 7.704 0.181 1
1 709 . 9 1 1 A 58 58 ILE HA H 58 3.978 4.007 -0.029 1
1 719 . 9 1 1 A 58 58 ILE C C 58 178.357 178.345 0.012 1
1 720 . 9 1 1 A 58 58 ILE CA C 58 61.684 65.108 -3.424 1
1 721 . 9 1 1 A 58 58 ILE CB C 58 34.538 37.801 -3.263 1
1 725 . 9 1 1 A 58 58 ILE N N 58 118.096 121.652 -3.556 1
1 726 . 9 1 1 A 59 59 SER H H 59 8.563 8.022 0.541 1
1 727 . 9 1 1 A 59 59 SER HA H 59 4.010 4.190 -0.180 1
1 728 . 9 1 1 A 59 59 SER C C 59 177.731 176.925 0.806 1
1 729 . 9 1 1 A 59 59 SER CA C 59 62.459 61.089 1.370 1
1 730 . 9 1 1 A 59 59 SER N N 59 117.208 115.930 1.278 1
1 731 . 9 1 1 A 60 60 GLN H H 60 8.471 8.182 0.289 1
1 732 . 9 1 1 A 60 60 GLN HA H 60 4.228 4.024 0.204 1
1 739 . 9 1 1 A 60 60 GLN C C 60 177.958 177.579 0.379 1
1 740 . 9 1 1 A 60 60 GLN CA C 60 58.233 58.467 -0.234 1
1 741 . 9 1 1 A 60 60 GLN CB C 60 27.288 28.771 -1.483 1
1 744 . 9 1 1 A 60 60 GLN N N 60 121.780 120.699 1.081 1
1 746 . 9 1 1 A 61 61 ALA H H 61 8.504 8.100 0.404 1
1 747 . 9 1 1 A 61 61 ALA HA H 61 3.947 4.009 -0.062 1
1 751 . 9 1 1 A 61 61 ALA C C 61 179.360 179.610 -0.250 1
1 752 . 9 1 1 A 61 61 ALA CA C 61 55.413 55.152 0.261 1
1 753 . 9 1 1 A 61 61 ALA CB C 61 18.124 18.340 -0.216 1
1 754 . 9 1 1 A 61 61 ALA N N 61 122.352 122.376 -0.024 1
1 755 . 9 1 1 A 62 62 LYS H H 62 8.776 7.879 0.897 1
1 756 . 9 1 1 A 62 62 LYS HA H 62 3.722 4.075 -0.353 1
1 765 . 9 1 1 A 62 62 LYS C C 62 179.330 179.518 -0.188 1
1 766 . 9 1 1 A 62 62 LYS CA C 62 60.632 59.759 0.873 1
1 767 . 9 1 1 A 62 62 LYS CB C 62 32.580 32.130 0.450 1
1 771 . 9 1 1 A 62 62 LYS N N 62 117.072 118.161 -1.089 1
1 772 . 9 1 1 A 63 63 LEU H H 63 7.670 7.766 -0.096 1
1 773 . 9 1 1 A 63 63 LEU HA H 63 4.233 4.032 0.201 1
1 783 . 9 1 1 A 63 63 LEU C C 63 180.902 178.336 2.566 1
1 784 . 9 1 1 A 63 63 LEU CA C 63 58.446 58.048 0.398 1
1 785 . 9 1 1 A 63 63 LEU CB C 63 41.598 41.790 -0.192 1
1 789 . 9 1 1 A 63 63 LEU N N 63 121.196 121.788 -0.592 1
1 790 . 9 1 1 A 64 64 LEU H H 64 8.585 8.226 0.359 1
1 791 . 9 1 1 A 64 64 LEU HA H 64 4.088 3.996 0.092 1
1 801 . 9 1 1 A 64 64 LEU C C 64 180.869 179.249 1.620 1
1 802 . 9 1 1 A 64 64 LEU CA C 64 57.782 58.026 -0.244 1
1 803 . 9 1 1 A 64 64 LEU CB C 64 42.760 41.080 1.680 1
1 807 . 9 1 1 A 64 64 LEU N N 64 121.842 117.263 4.579 1
1 808 . 9 1 1 A 65 65 LEU H H 65 9.100 8.360 0.740 1
1 809 . 9 1 1 A 65 65 LEU HA H 65 4.346 4.315 0.031 1
1 819 . 9 1 1 A 65 65 LEU C C 65 178.659 179.782 -1.123 1
1 820 . 9 1 1 A 65 65 LEU CA C 65 57.408 57.595 -0.187 1
1 821 . 9 1 1 A 65 65 LEU CB C 65 43.013 40.953 2.060 1
1 825 . 9 1 1 A 65 65 LEU N N 65 119.872 120.325 -0.453 1
1 826 . 9 1 1 A 66 66 SER H H 66 8.303 7.723 0.580 1
1 827 . 9 1 1 A 66 66 SER HA H 66 4.211 4.345 -0.134 1
1 829 . 9 1 1 A 66 66 SER C C 66 176.580 175.073 1.507 1
1 830 . 9 1 1 A 66 66 SER CA C 66 60.155 61.791 -1.636 1
1 831 . 9 1 1 A 66 66 SER CB C 66 65.198 63.283 1.915 1
1 832 . 9 1 1 A 66 66 SER N N 66 110.490 115.557 -5.067 1
1 833 . 9 1 1 A 67 67 THR H H 67 7.901 7.844 0.057 1
1 834 . 9 1 1 A 67 67 THR HA H 67 4.812 4.440 0.372 1
1 839 . 9 1 1 A 67 67 THR C C 67 174.240 174.159 0.081 1
1 840 . 9 1 1 A 67 67 THR CA C 67 62.400 62.070 0.330 1
1 841 . 9 1 1 A 67 67 THR CB C 67 71.512 69.332 2.180 1
1 843 . 9 1 1 A 67 67 THR N N 67 108.414 113.684 -5.270 1
1 844 . 9 1 1 A 68 68 THR H H 68 7.507 7.274 0.233 1
1 845 . 9 1 1 A 68 68 THR HA H 68 5.096 4.843 0.253 1
1 850 . 9 1 1 A 68 68 THR C C 68 174.263 174.028 0.235 1
1 851 . 9 1 1 A 68 68 THR CA C 68 60.124 59.488 0.636 1
1 852 . 9 1 1 A 68 68 THR CB C 68 72.795 71.778 1.017 1
1 854 . 9 1 1 A 68 68 THR N N 68 111.673 112.205 -0.532 1
1 855 . 9 1 1 A 69 69 ARG H H 69 8.767 8.388 0.379 1
1 856 . 9 1 1 A 69 69 ARG HA H 69 4.422 4.674 -0.252 1
1 863 . 9 1 1 A 69 69 ARG C C 69 176.568 176.620 -0.052 1
1 864 . 9 1 1 A 69 69 ARG CA C 69 53.692 55.181 -1.489 1
1 865 . 9 1 1 A 69 69 ARG CB C 69 28.814 30.745 -1.931 1
1 868 . 9 1 1 A 69 69 ARG N N 69 118.034 119.359 -1.325 1
1 869 . 9 1 1 A 70 70 MET H H 70 7.996 7.559 0.437 1
1 870 . 9 1 1 A 70 70 MET HA H 70 4.470 4.537 -0.067 1
1 878 . 9 1 1 A 70 70 MET CA C 70 55.386 55.239 0.147 1
1 879 . 9 1 1 A 70 70 MET CB C 70 34.080 32.264 1.816 1
1 882 . 9 1 1 A 70 70 MET N N 70 122.491 121.202 1.289 1
1 883 . 9 1 1 A 71 71 PRO HA H 71 4.574 4.521 0.053 1
1 890 . 9 1 1 A 71 71 PRO C C 71 177.204 177.108 0.096 1
1 891 . 9 1 1 A 71 71 PRO CA C 71 62.915 62.382 0.533 1
1 892 . 9 1 1 A 71 71 PRO CB C 71 32.380 32.799 -0.419 1
1 895 . 9 1 1 A 72 72 ILE H H 72 8.782 8.392 0.390 1
1 896 . 9 1 1 A 72 72 ILE HA H 72 3.407 3.800 -0.393 1
1 906 . 9 1 1 A 72 72 ILE C C 72 177.760 178.197 -0.437 1
1 907 . 9 1 1 A 72 72 ILE CA C 72 65.627 64.587 1.040 1
1 908 . 9 1 1 A 72 72 ILE CB C 72 36.771 37.587 -0.816 1
1 912 . 9 1 1 A 72 72 ILE N N 72 124.417 122.477 1.940 1
1 913 . 9 1 1 A 73 73 ALA H H 73 9.109 8.153 0.956 1
1 914 . 9 1 1 A 73 73 ALA HA H 73 3.974 4.047 -0.073 1
1 918 . 9 1 1 A 73 73 ALA C C 73 180.248 179.670 0.578 1
1 919 . 9 1 1 A 73 73 ALA CA C 73 55.232 55.259 -0.027 1
1 920 . 9 1 1 A 73 73 ALA CB C 73 18.338 18.270 0.068 1
1 921 . 9 1 1 A 73 73 ALA N N 73 119.077 123.589 -4.512 1
1 922 . 9 1 1 A 74 74 THR H H 74 7.112 7.999 -0.887 1
1 923 . 9 1 1 A 74 74 THR HA H 74 3.875 3.918 -0.043 1
1 928 . 9 1 1 A 74 74 THR C C 74 175.761 176.469 -0.708 1
1 929 . 9 1 1 A 74 74 THR CA C 74 65.841 66.799 -0.958 1
1 930 . 9 1 1 A 74 74 THR CB C 74 68.248 68.365 -0.117 1
1 932 . 9 1 1 A 74 74 THR N N 74 114.866 114.766 0.100 1
1 933 . 9 1 1 A 75 75 VAL H H 75 8.087 8.098 -0.011 1
1 934 . 9 1 1 A 75 75 VAL HA H 75 3.305 3.501 -0.196 1
1 942 . 9 1 1 A 75 75 VAL C C 75 177.048 177.945 -0.897 1
1 943 . 9 1 1 A 75 75 VAL CA C 75 67.681 66.449 1.232 1
1 944 . 9 1 1 A 75 75 VAL CB C 75 30.831 31.223 -0.392 1
1 947 . 9 1 1 A 75 75 VAL N N 75 123.901 121.327 2.574 1
1 948 . 9 1 1 A 76 76 GLY H H 76 7.673 8.133 -0.460 1
1 949 . 9 1 1 A 76 76 GLY HA2 H 76 2.235 3.206 -0.971 1
1 950 . 9 1 1 A 76 76 GLY HA3 H 76 3.003 3.694 -0.691 1
1 951 . 9 1 1 A 76 76 GLY C C 76 176.562 175.358 1.204 1
1 952 . 9 1 1 A 76 76 GLY CA C 76 46.293 46.829 -0.536 1
1 953 . 9 1 1 A 76 76 GLY N N 76 102.438 107.807 -5.369 1
1 954 . 9 1 1 A 77 77 ARG H H 77 7.760 7.774 -0.014 1
1 955 . 9 1 1 A 77 77 ARG HA H 77 3.982 4.044 -0.062 1
1 962 . 9 1 1 A 77 77 ARG C C 77 180.332 178.450 1.882 1
1 963 . 9 1 1 A 77 77 ARG CA C 77 59.550 58.212 1.338 1
1 964 . 9 1 1 A 77 77 ARG CB C 77 30.085 29.649 0.436 1
1 967 . 9 1 1 A 77 77 ARG N N 77 122.228 121.710 0.518 1
1 968 . 9 1 1 A 78 78 ASN H H 78 8.230 7.768 0.462 1
1 969 . 9 1 1 A 78 78 ASN HA H 78 4.397 4.379 0.018 1
1 974 . 9 1 1 A 78 78 ASN C C 78 176.105 176.854 -0.749 1
1 975 . 9 1 1 A 78 78 ASN CA C 78 55.615 56.099 -0.484 1
1 976 . 9 1 1 A 78 78 ASN CB C 78 38.806 38.612 0.194 1
1 978 . 9 1 1 A 78 78 ASN N N 78 119.139 117.739 1.400 1
1 980 . 9 1 1 A 79 79 VAL H H 79 7.323 6.768 0.555 1
1 981 . 9 1 1 A 79 79 VAL HA H 79 4.438 3.971 0.467 1
1 989 . 9 1 1 A 79 79 VAL C C 79 174.220 175.561 -1.341 1
1 990 . 9 1 1 A 79 79 VAL CA C 79 59.911 61.319 -1.408 1
1 991 . 9 1 1 A 79 79 VAL CB C 79 31.400 31.430 -0.030 1
1 994 . 9 1 1 A 79 79 VAL N N 79 108.664 111.569 -2.905 1
1 995 . 9 1 1 A 80 80 GLY H H 80 7.286 8.095 -0.809 1
1 996 . 9 1 1 A 80 80 GLY HA2 H 80 3.540 3.588 -0.048 1
1 997 . 9 1 1 A 80 80 GLY HA3 H 80 4.023 3.725 0.298 1
1 998 . 9 1 1 A 80 80 GLY C C 80 174.383 173.836 0.547 1
1 999 . 9 1 1 A 80 80 GLY CA C 80 45.739 45.456 0.283 1
1 1000 . 9 1 1 A 80 80 GLY N N 80 104.635 110.898 -6.263 1
1 1001 . 9 1 1 A 81 81 PHE H H 81 8.535 7.930 0.605 1
1 1002 . 9 1 1 A 81 81 PHE HA H 81 4.845 4.699 0.146 1
1 1010 . 9 1 1 A 81 81 PHE C C 81 174.570 174.916 -0.346 1
1 1011 . 9 1 1 A 81 81 PHE CA C 81 56.375 56.569 -0.194 1
1 1012 . 9 1 1 A 81 81 PHE CB C 81 39.941 41.252 -1.311 1
1 1018 . 9 1 1 A 81 81 PHE N N 81 119.772 118.063 1.709 1
1 1019 . 9 1 1 A 82 82 ASP H H 82 8.564 8.930 -0.366 1
1 1020 . 9 1 1 A 82 82 ASP HA H 82 4.491 4.568 -0.077 1
1 1023 . 9 1 1 A 82 82 ASP C C 82 175.170 175.548 -0.378 1
1 1024 . 9 1 1 A 82 82 ASP CA C 82 55.195 56.641 -1.446 1
1 1025 . 9 1 1 A 82 82 ASP CB C 82 41.010 41.346 -0.336 1
1 1026 . 9 1 1 A 82 82 ASP N N 82 123.028 125.134 -2.106 1
1 1027 . 9 1 1 A 83 83 ASP H H 83 7.789 7.617 0.172 1
1 1028 . 9 1 1 A 83 83 ASP HA H 83 4.947 4.801 0.146 1
1 1031 . 9 1 1 A 83 83 ASP C C 83 176.347 176.505 -0.158 1
1 1032 . 9 1 1 A 83 83 ASP CA C 83 52.690 54.136 -1.446 1
1 1033 . 9 1 1 A 83 83 ASP CB C 83 43.152 41.465 1.687 1
1 1034 . 9 1 1 A 83 83 ASP N N 83 118.576 118.621 -0.045 1
1 1035 . 9 1 1 A 84 84 GLN H H 84 9.104 8.883 0.221 1
1 1036 . 9 1 1 A 84 84 GLN HA H 84 4.333 4.007 0.326 1
1 1043 . 9 1 1 A 84 84 GLN C C 84 177.986 177.618 0.368 1
1 1044 . 9 1 1 A 84 84 GLN CA C 84 58.909 58.927 -0.018 1
1 1045 . 9 1 1 A 84 84 GLN CB C 84 28.267 28.382 -0.115 1
1 1048 . 9 1 1 A 84 84 GLN N N 84 126.543 125.629 0.914 1
1 1050 . 9 1 1 A 85 85 LEU H H 85 8.419 8.169 0.250 1
1 1051 . 9 1 1 A 85 85 LEU HA H 85 4.210 4.152 0.058 1
1 1061 . 9 1 1 A 85 85 LEU C C 85 179.472 178.925 0.547 1
1 1062 . 9 1 1 A 85 85 LEU CA C 85 57.958 57.643 0.315 1
1 1063 . 9 1 1 A 85 85 LEU CB C 85 40.678 41.787 -1.109 1
1 1067 . 9 1 1 A 85 85 LEU N N 85 123.486 119.619 3.867 1
1 1068 . 9 1 1 A 86 86 TYR H H 86 8.042 8.426 -0.384 1
1 1069 . 9 1 1 A 86 86 TYR HA H 86 4.288 4.021 0.267 1
1 1076 . 9 1 1 A 86 86 TYR C C 86 177.195 177.002 0.193 1
1 1077 . 9 1 1 A 86 86 TYR CA C 86 60.367 61.625 -1.258 1
1 1078 . 9 1 1 A 86 86 TYR CB C 86 38.184 38.348 -0.164 1
1 1083 . 9 1 1 A 86 86 TYR N N 86 122.679 119.917 2.762 1
1 1084 . 9 1 1 A 87 87 PHE H H 87 8.219 8.184 0.035 1
1 1085 . 9 1 1 A 87 87 PHE HA H 87 3.261 4.011 -0.750 1
1 1093 . 9 1 1 A 87 87 PHE C C 87 175.875 177.952 -2.077 1
1 1094 . 9 1 1 A 87 87 PHE CA C 87 58.536 62.113 -3.577 1
1 1095 . 9 1 1 A 87 87 PHE CB C 87 38.124 39.327 -1.203 1
1 1101 . 9 1 1 A 87 87 PHE N N 87 116.536 118.405 -1.869 1
1 1102 . 9 1 1 A 88 88 SER H H 88 8.082 8.476 -0.394 1
1 1103 . 9 1 1 A 88 88 SER HA H 88 3.951 3.986 -0.035 1
1 1105 . 9 1 1 A 88 88 SER C C 88 175.926 177.085 -1.159 1
1 1106 . 9 1 1 A 88 88 SER CA C 88 62.398 61.561 0.837 1
1 1107 . 9 1 1 A 88 88 SER N N 88 112.937 113.795 -0.858 1
1 1108 . 9 1 1 A 89 89 ARG H H 89 7.843 8.012 -0.169 1
1 1109 . 9 1 1 A 89 89 ARG HA H 89 3.975 4.004 -0.029 1
1 1116 . 9 1 1 A 89 89 ARG C C 89 179.414 179.137 0.277 1
1 1117 . 9 1 1 A 89 89 ARG CA C 89 59.452 59.145 0.307 1
1 1118 . 9 1 1 A 89 89 ARG CB C 89 30.242 30.010 0.232 1
1 1121 . 9 1 1 A 89 89 ARG N N 89 121.621 122.194 -0.573 1
1 1122 . 9 1 1 A 90 90 VAL H H 90 8.235 7.765 0.470 1
1 1123 . 9 1 1 A 90 90 VAL HA H 90 3.530 3.598 -0.068 1
1 1131 . 9 1 1 A 90 90 VAL C C 90 177.752 177.629 0.123 1
1 1132 . 9 1 1 A 90 90 VAL CA C 90 66.208 64.808 1.400 1
1 1133 . 9 1 1 A 90 90 VAL CB C 90 31.649 31.321 0.328 1
1 1136 . 9 1 1 A 90 90 VAL N N 90 122.095 119.351 2.744 1
1 1137 . 9 1 1 A 91 91 PHE H H 91 8.763 8.538 0.225 1
1 1138 . 9 1 1 A 91 91 PHE HA H 91 3.584 3.902 -0.318 1
1 1141 . 9 1 1 A 91 91 PHE C C 91 178.386 177.246 1.140 1
1 1142 . 9 1 1 A 91 91 PHE CA C 91 62.523 60.753 1.770 1
1 1143 . 9 1 1 A 91 91 PHE CB C 91 39.528 38.525 1.003 1
1 1144 . 9 1 1 A 91 91 PHE N N 91 121.769 121.866 -0.097 1
1 1145 . 9 1 1 A 92 92 LYS H H 92 8.237 8.435 -0.198 1
1 1146 . 9 1 1 A 92 92 LYS HA H 92 4.217 4.315 -0.098 1
1 1153 . 9 1 1 A 92 92 LYS C C 92 179.621 179.419 0.202 1
1 1154 . 9 1 1 A 92 92 LYS CA C 92 58.597 60.047 -1.450 1
1 1155 . 9 1 1 A 92 92 LYS CB C 92 32.290 32.637 -0.347 1
1 1159 . 9 1 1 A 92 92 LYS N N 92 121.441 118.397 3.044 1
1 1160 . 9 1 1 A 93 93 LYS H H 93 8.013 7.630 0.383 1
1 1161 . 9 1 1 A 93 93 LYS HA H 93 3.956 4.068 -0.112 1
1 1169 . 9 1 1 A 93 93 LYS C C 93 178.611 179.281 -0.670 1
1 1170 . 9 1 1 A 93 93 LYS CA C 93 59.356 58.986 0.370 1
1 1171 . 9 1 1 A 93 93 LYS CB C 93 31.785 31.717 0.068 1
1 1175 . 9 1 1 A 93 93 LYS N N 93 122.286 118.293 3.993 1
1 1176 . 9 1 1 A 94 94 CYS H H 94 7.818 7.724 0.094 1
1 1177 . 9 1 1 A 94 94 CYS HA H 94 4.224 4.038 0.186 1
1 1180 . 9 1 1 A 94 94 CYS C C 94 176.440 176.254 0.186 1
1 1181 . 9 1 1 A 94 94 CYS CA C 94 62.517 62.582 -0.065 1
1 1182 . 9 1 1 A 94 94 CYS CB C 94 28.104 27.181 0.923 1
1 1183 . 9 1 1 A 94 94 CYS N N 94 113.581 118.582 -5.001 1
1 1184 . 9 1 1 A 95 95 THR H H 95 8.038 7.198 0.840 1
1 1185 . 9 1 1 A 95 95 THR HA H 95 4.397 4.405 -0.008 1
1 1190 . 9 1 1 A 95 95 THR C C 95 176.237 175.820 0.417 1
1 1191 . 9 1 1 A 95 95 THR CA C 95 62.507 61.703 0.804 1
1 1192 . 9 1 1 A 95 95 THR CB C 95 71.481 70.458 1.023 1
1 1194 . 9 1 1 A 95 95 THR N N 95 106.903 108.780 -1.877 1
1 1195 . 9 1 1 A 96 96 GLY H H 96 8.526 8.833 -0.307 1
1 1196 . 9 1 1 A 96 96 GLY HA2 H 96 3.724 3.867 -0.143 1
1 1197 . 9 1 1 A 96 96 GLY HA3 H 96 4.374 3.884 0.490 1
1 1198 . 9 1 1 A 96 96 GLY C C 96 172.550 173.377 -0.827 1
1 1199 . 9 1 1 A 96 96 GLY CA C 96 45.264 45.320 -0.056 1
1 1200 . 9 1 1 A 96 96 GLY N N 96 112.762 111.535 1.227 1
1 1201 . 9 1 1 A 97 97 ALA H H 97 8.560 7.128 1.432 1
1 1202 . 9 1 1 A 97 97 ALA HA H 97 4.841 4.860 -0.019 1
1 1206 . 9 1 1 A 97 97 ALA C C 97 175.280 176.285 -1.005 1
1 1207 . 9 1 1 A 97 97 ALA CA C 97 50.176 51.166 -0.990 1
1 1208 . 9 1 1 A 97 97 ALA CB C 97 22.551 22.822 -0.271 1
1 1209 . 9 1 1 A 97 97 ALA N N 97 125.656 120.949 4.707 1
1 1210 . 9 1 1 A 98 98 SER H H 98 8.817 8.672 0.145 1
1 1211 . 9 1 1 A 98 98 SER HA H 98 4.656 4.769 -0.113 1
1 1212 . 9 1 1 A 98 98 SER CA C 98 56.612 56.877 -0.265 1
1 1213 . 9 1 1 A 98 98 SER N N 98 114.919 114.847 0.072 1
1 1214 . 9 1 1 A 99 99 PRO HA H 99 3.500 4.457 -0.957 1
1 1220 . 9 1 1 A 99 99 PRO C C 99 177.585 177.951 -0.366 1
1 1221 . 9 1 1 A 99 99 PRO CA C 99 66.202 64.582 1.620 1
1 1222 . 9 1 1 A 99 99 PRO CB C 99 32.030 31.896 0.134 1
1 1225 . 9 1 1 A 100 100 SER H H 100 8.254 8.226 0.028 1
1 1226 . 9 1 1 A 100 100 SER HA H 100 4.029 4.294 -0.265 1
1 1227 . 9 1 1 A 100 100 SER C C 100 177.441 177.033 0.408 1
1 1228 . 9 1 1 A 100 100 SER CA C 100 61.891 60.998 0.893 1
1 1229 . 9 1 1 A 100 100 SER N N 100 111.230 112.219 -0.989 1
1 1230 . 9 1 1 A 101 101 GLU H H 101 7.848 7.967 -0.119 1
1 1231 . 9 1 1 A 101 101 GLU HA H 101 4.021 4.074 -0.053 1
1 1236 . 9 1 1 A 101 101 GLU C C 101 179.288 178.704 0.584 1
1 1237 . 9 1 1 A 101 101 GLU CA C 101 58.822 59.371 -0.549 1
1 1238 . 9 1 1 A 101 101 GLU CB C 101 29.846 29.577 0.269 1
1 1240 . 9 1 1 A 101 101 GLU N N 101 125.150 121.504 3.646 1
1 1241 . 9 1 1 A 102 102 PHE H H 102 8.923 8.111 0.812 1
1 1242 . 9 1 1 A 102 102 PHE HA H 102 4.155 4.144 0.011 1
1 1245 . 9 1 1 A 102 102 PHE C C 102 178.343 177.946 0.397 1
1 1246 . 9 1 1 A 102 102 PHE CA C 102 61.315 61.666 -0.351 1
1 1247 . 9 1 1 A 102 102 PHE CB C 102 40.083 39.685 0.398 1
1 1248 . 9 1 1 A 102 102 PHE N N 102 121.281 120.787 0.494 1
1 1249 . 9 1 1 A 103 103 ARG H H 103 8.210 8.255 -0.045 1
1 1250 . 9 1 1 A 103 103 ARG HA H 103 3.830 4.202 -0.372 1
1 1257 . 9 1 1 A 103 103 ARG C C 103 177.602 178.500 -0.898 1
1 1258 . 9 1 1 A 103 103 ARG CA C 103 59.235 58.922 0.313 1
1 1261 . 9 1 1 A 103 103 ARG N N 103 119.223 118.675 0.548 1
1 1262 . 9 1 1 A 104 104 ALA H H 104 7.905 7.376 0.529 1
1 1263 . 9 1 1 A 104 104 ALA HA H 104 4.186 4.242 -0.056 1
1 1267 . 9 1 1 A 104 104 ALA C C 104 179.126 178.091 1.035 1
1 1268 . 9 1 1 A 104 104 ALA CA C 104 54.188 52.931 1.257 1
1 1269 . 9 1 1 A 104 104 ALA CB C 104 18.254 19.576 -1.322 1
1 1270 . 9 1 1 A 104 104 ALA N N 104 120.546 119.840 0.706 1
1 1271 . 9 1 1 A 105 105 GLY H H 105 7.676 7.830 -0.154 1
1 1272 . 9 1 1 A 105 105 GLY HA2 H 105 3.849 3.851 -0.002 1
1 1273 . 9 1 1 A 105 105 GLY HA3 H 105 4.052 3.906 0.146 1
1 1274 . 9 1 1 A 105 105 GLY C C 105 174.515 174.466 0.049 1
1 1275 . 9 1 1 A 105 105 GLY CA C 105 45.317 45.229 0.088 1
1 1276 . 9 1 1 A 105 105 GLY N N 105 104.677 107.107 -2.430 1
1 1277 . 9 1 1 A 106 106 CYS H H 106 7.599 7.934 -0.335 1
1 1278 . 9 1 1 A 106 106 CYS HA H 106 4.447 4.455 -0.008 1
1 1281 . 9 1 1 A 106 106 CYS C C 106 173.823 175.251 -1.428 1
1 1282 . 9 1 1 A 106 106 CYS CA C 106 59.123 59.331 -0.208 1
1 1283 . 9 1 1 A 106 106 CYS CB C 106 28.004 28.274 -0.270 1
1 1284 . 9 1 1 A 106 106 CYS N N 106 118.321 120.122 -1.801 1
1 14 . 10 1 1 A 2 2 ASP H H 2 8.989 8.528 0.461 1
1 15 . 10 1 1 A 2 2 ASP HA H 2 4.662 4.955 -0.293 1
1 18 . 10 1 1 A 2 2 ASP C C 2 177.024 176.906 0.118 1
1 19 . 10 1 1 A 2 2 ASP CA C 2 54.092 53.331 0.761 1
1 20 . 10 1 1 A 2 2 ASP CB C 2 42.743 43.080 -0.337 1
1 21 . 10 1 1 A 2 2 ASP N N 2 126.287 123.704 2.583 1
1 22 . 10 1 1 A 3 3 ASN H H 3 9.165 8.892 0.273 1
1 23 . 10 1 1 A 3 3 ASN HA H 3 4.446 4.358 0.088 1
1 28 . 10 1 1 A 3 3 ASN C C 3 177.306 177.442 -0.136 1
1 29 . 10 1 1 A 3 3 ASN CA C 3 56.355 56.050 0.305 1
1 30 . 10 1 1 A 3 3 ASN CB C 3 38.382 38.012 0.370 1
1 32 . 10 1 1 A 3 3 ASN N N 3 124.055 122.130 1.925 1
1 34 . 10 1 1 A 4 4 ARG H H 4 9.092 7.903 1.189 1
1 35 . 10 1 1 A 4 4 ARG HA H 4 4.183 4.007 0.176 1
1 42 . 10 1 1 A 4 4 ARG C C 4 178.824 178.999 -0.175 1
1 43 . 10 1 1 A 4 4 ARG CA C 4 59.401 59.575 -0.174 1
1 44 . 10 1 1 A 4 4 ARG CB C 4 29.437 30.495 -1.058 1
1 47 . 10 1 1 A 4 4 ARG N N 4 119.970 121.278 -1.308 1
1 48 . 10 1 1 A 5 5 VAL H H 5 7.588 7.729 -0.141 1
1 49 . 10 1 1 A 5 5 VAL HA H 5 3.458 3.852 -0.394 1
1 57 . 10 1 1 A 5 5 VAL C C 5 177.573 177.823 -0.250 1
1 58 . 10 1 1 A 5 5 VAL CA C 5 66.543 65.762 0.781 1
1 59 . 10 1 1 A 5 5 VAL CB C 5 31.294 31.217 0.077 1
1 62 . 10 1 1 A 5 5 VAL N N 5 119.312 116.559 2.753 1
1 63 . 10 1 1 A 6 6 ARG H H 6 7.920 8.270 -0.350 1
1 64 . 10 1 1 A 6 6 ARG HA H 6 3.860 3.855 0.005 1
1 71 . 10 1 1 A 6 6 ARG C C 6 179.380 178.741 0.639 1
1 72 . 10 1 1 A 6 6 ARG CA C 6 60.197 59.989 0.208 1
1 73 . 10 1 1 A 6 6 ARG CB C 6 29.818 29.744 0.074 1
1 76 . 10 1 1 A 6 6 ARG N N 6 120.863 121.875 -1.012 1
1 77 . 10 1 1 A 7 7 GLU H H 7 8.262 7.970 0.292 1
1 78 . 10 1 1 A 7 7 GLU HA H 7 4.241 4.183 0.058 1
1 83 . 10 1 1 A 7 7 GLU C C 7 179.131 178.684 0.447 1
1 84 . 10 1 1 A 7 7 GLU CA C 7 58.770 59.423 -0.653 1
1 85 . 10 1 1 A 7 7 GLU CB C 7 28.883 29.257 -0.374 1
1 87 . 10 1 1 A 7 7 GLU N N 7 119.166 119.250 -0.084 1
1 88 . 10 1 1 A 8 8 ALA H H 8 8.421 7.988 0.433 1
1 89 . 10 1 1 A 8 8 ALA HA H 8 4.046 4.337 -0.291 1
1 93 . 10 1 1 A 8 8 ALA C C 8 179.202 180.576 -1.374 1
1 94 . 10 1 1 A 8 8 ALA CA C 8 55.610 55.256 0.354 1
1 95 . 10 1 1 A 8 8 ALA CB C 8 18.512 18.534 -0.022 1
1 96 . 10 1 1 A 8 8 ALA N N 8 123.947 120.905 3.042 1
1 97 . 10 1 1 A 9 9 CYS H H 9 8.490 8.193 0.297 1
1 98 . 10 1 1 A 9 9 CYS HA H 9 3.767 4.442 -0.675 1
1 101 . 10 1 1 A 9 9 CYS C C 9 176.858 177.454 -0.596 1
1 102 . 10 1 1 A 9 9 CYS CA C 9 64.480 63.390 1.090 1
1 103 . 10 1 1 A 9 9 CYS CB C 9 26.690 27.652 -0.962 1
1 104 . 10 1 1 A 9 9 CYS N N 9 116.232 116.509 -0.277 1
1 105 . 10 1 1 A 10 10 GLN H H 10 8.088 8.136 -0.048 1
1 106 . 10 1 1 A 10 10 GLN HA H 10 4.022 4.225 -0.203 1
1 113 . 10 1 1 A 10 10 GLN C C 10 177.140 178.182 -1.042 1
1 114 . 10 1 1 A 10 10 GLN CA C 10 58.804 58.722 0.082 1
1 115 . 10 1 1 A 10 10 GLN CB C 10 28.299 28.749 -0.450 1
1 118 . 10 1 1 A 10 10 GLN N N 10 120.817 121.304 -0.487 1
1 120 . 10 1 1 A 11 11 TYR H H 11 8.367 7.805 0.562 1
1 121 . 10 1 1 A 11 11 TYR HA H 11 4.308 4.235 0.073 1
1 128 . 10 1 1 A 11 11 TYR C C 11 178.986 177.324 1.662 1
1 129 . 10 1 1 A 11 11 TYR CA C 11 61.850 61.540 0.310 1
1 130 . 10 1 1 A 11 11 TYR CB C 11 38.653 38.614 0.039 1
1 135 . 10 1 1 A 11 11 TYR N N 11 120.419 120.961 -0.542 1
1 136 . 10 1 1 A 12 12 ILE H H 12 8.886 8.660 0.226 1
1 137 . 10 1 1 A 12 12 ILE HA H 12 3.700 3.461 0.239 1
1 147 . 10 1 1 A 12 12 ILE C C 12 179.352 177.964 1.388 1
1 148 . 10 1 1 A 12 12 ILE CA C 12 65.621 65.468 0.153 1
1 149 . 10 1 1 A 12 12 ILE CB C 12 38.203 38.265 -0.062 1
1 153 . 10 1 1 A 12 12 ILE N N 12 119.720 121.643 -1.923 1
1 154 . 10 1 1 A 13 13 SER H H 13 8.740 8.494 0.246 1
1 155 . 10 1 1 A 13 13 SER HA H 13 4.753 4.025 0.728 1
1 158 . 10 1 1 A 13 13 SER C C 13 176.355 176.587 -0.232 1
1 159 . 10 1 1 A 13 13 SER CA C 13 62.551 61.367 1.184 1
1 160 . 10 1 1 A 13 13 SER CB C 13 62.468 63.147 -0.679 1
1 161 . 10 1 1 A 13 13 SER N N 13 116.217 115.894 0.323 1
1 162 . 10 1 1 A 14 14 ASP H H 14 8.426 7.908 0.518 1
1 163 . 10 1 1 A 14 14 ASP HA H 14 4.438 4.394 0.044 1
1 166 . 10 1 1 A 14 14 ASP C C 14 176.838 177.457 -0.619 1
1 167 . 10 1 1 A 14 14 ASP CA C 14 55.988 56.490 -0.502 1
1 168 . 10 1 1 A 14 14 ASP CB C 14 40.500 41.049 -0.549 1
1 169 . 10 1 1 A 14 14 ASP N N 14 121.201 121.377 -0.176 1
1 170 . 10 1 1 A 15 15 HIS H H 15 7.530 7.618 -0.088 1
1 171 . 10 1 1 A 15 15 HIS HA H 15 4.661 4.578 0.083 1
1 176 . 10 1 1 A 15 15 HIS C C 15 175.451 175.478 -0.027 1
1 177 . 10 1 1 A 15 15 HIS CA C 15 55.320 55.590 -0.270 1
1 178 . 10 1 1 A 15 15 HIS CB C 15 28.275 29.160 -0.885 1
1 181 . 10 1 1 A 15 15 HIS N N 15 116.777 116.600 0.177 1
1 182 . 10 1 1 A 16 16 LEU H H 16 7.271 7.479 -0.208 1
1 183 . 10 1 1 A 16 16 LEU HA H 16 3.812 3.745 0.067 1
1 193 . 10 1 1 A 16 16 LEU C C 16 176.627 178.566 -1.939 1
1 194 . 10 1 1 A 16 16 LEU CA C 16 58.076 57.744 0.332 1
1 195 . 10 1 1 A 16 16 LEU CB C 16 42.531 41.176 1.355 1
1 199 . 10 1 1 A 16 16 LEU N N 16 122.531 122.409 0.122 1
1 200 . 10 1 1 A 17 17 ALA H H 17 8.243 7.205 1.038 1
1 201 . 10 1 1 A 17 17 ALA HA H 17 3.937 4.191 -0.254 1
1 205 . 10 1 1 A 17 17 ALA C C 17 177.131 176.847 0.284 1
1 206 . 10 1 1 A 17 17 ALA CA C 17 51.802 51.975 -0.173 1
1 207 . 10 1 1 A 17 17 ALA CB C 17 18.473 19.919 -1.446 1
1 208 . 10 1 1 A 17 17 ALA N N 17 116.354 119.233 -2.879 1
1 209 . 10 1 1 A 18 18 ASP H H 18 7.488 7.591 -0.103 1
1 210 . 10 1 1 A 18 18 ASP HA H 18 4.455 4.527 -0.072 1
1 213 . 10 1 1 A 18 18 ASP C C 18 177.370 175.532 1.838 1
1 214 . 10 1 1 A 18 18 ASP CA C 18 54.571 54.640 -0.069 1
1 215 . 10 1 1 A 18 18 ASP CB C 18 40.521 42.124 -1.603 1
1 216 . 10 1 1 A 18 18 ASP N N 18 119.230 118.233 0.997 1
1 217 . 10 1 1 A 19 19 SER H H 19 8.793 8.718 0.075 1
1 218 . 10 1 1 A 19 19 SER HA H 19 4.424 4.477 -0.053 1
1 221 . 10 1 1 A 19 19 SER C C 19 174.779 174.597 0.182 1
1 222 . 10 1 1 A 19 19 SER CA C 19 59.706 59.987 -0.281 1
1 223 . 10 1 1 A 19 19 SER CB C 19 63.351 64.350 -0.999 1
1 224 . 10 1 1 A 19 19 SER N N 19 119.892 118.230 1.662 1
1 225 . 10 1 1 A 20 20 ASN H H 20 8.520 7.970 0.550 1
1 226 . 10 1 1 A 20 20 ASN HA H 20 4.869 4.798 0.071 1
1 231 . 10 1 1 A 20 20 ASN C C 20 173.838 174.716 -0.878 1
1 232 . 10 1 1 A 20 20 ASN CA C 20 52.586 54.055 -1.469 1
1 233 . 10 1 1 A 20 20 ASN CB C 20 38.799 38.670 0.129 1
1 235 . 10 1 1 A 20 20 ASN N N 20 119.769 118.811 0.958 1
1 237 . 10 1 1 A 21 21 PHE H H 21 8.082 8.975 -0.893 1
1 238 . 10 1 1 A 21 21 PHE HA H 21 4.397 5.370 -0.973 1
1 246 . 10 1 1 A 21 21 PHE C C 21 173.520 173.098 0.422 1
1 247 . 10 1 1 A 21 21 PHE CA C 21 58.672 55.846 2.826 1
1 248 . 10 1 1 A 21 21 PHE CB C 21 40.704 41.646 -0.942 1
1 254 . 10 1 1 A 21 21 PHE N N 21 121.875 125.746 -3.871 1
1 255 . 10 1 1 A 22 22 ASP H H 22 7.570 8.782 -1.212 1
1 256 . 10 1 1 A 22 22 ASP HA H 22 4.563 4.769 -0.206 1
1 259 . 10 1 1 A 22 22 ASP C C 22 175.674 175.977 -0.303 1
1 260 . 10 1 1 A 22 22 ASP CA C 22 52.049 52.397 -0.348 1
1 261 . 10 1 1 A 22 22 ASP CB C 22 43.023 41.822 1.201 1
1 262 . 10 1 1 A 22 22 ASP N N 22 126.780 128.149 -1.369 1
1 263 . 10 1 1 A 23 23 ILE H H 23 8.720 8.244 0.476 1
1 264 . 10 1 1 A 23 23 ILE HA H 23 3.555 3.585 -0.030 1
1 274 . 10 1 1 A 23 23 ILE C C 23 176.441 177.320 -0.879 1
1 275 . 10 1 1 A 23 23 ILE CA C 23 63.650 63.444 0.206 1
1 276 . 10 1 1 A 23 23 ILE CB C 23 37.741 37.855 -0.114 1
1 280 . 10 1 1 A 23 23 ILE N N 23 124.815 126.794 -1.979 1
1 281 . 10 1 1 A 24 24 ALA H H 24 8.543 8.064 0.479 1
1 282 . 10 1 1 A 24 24 ALA HA H 24 3.917 4.020 -0.103 1
1 286 . 10 1 1 A 24 24 ALA C C 24 180.227 179.430 0.797 1
1 287 . 10 1 1 A 24 24 ALA CA C 24 55.413 55.260 0.153 1
1 288 . 10 1 1 A 24 24 ALA CB C 24 17.760 17.705 0.055 1
1 289 . 10 1 1 A 24 24 ALA N N 24 123.943 124.217 -0.274 1
1 290 . 10 1 1 A 25 25 SER H H 25 7.844 7.836 0.008 1
1 291 . 10 1 1 A 25 25 SER HA H 25 4.246 4.047 0.199 1
1 293 . 10 1 1 A 25 25 SER C C 25 176.667 176.187 0.480 1
1 294 . 10 1 1 A 25 25 SER CA C 25 61.238 61.824 -0.586 1
1 295 . 10 1 1 A 25 25 SER CB C 25 62.402 62.889 -0.487 1
1 296 . 10 1 1 A 25 25 SER N N 25 114.143 113.396 0.747 1
1 297 . 10 1 1 A 26 26 VAL H H 26 7.086 7.446 -0.360 1
1 298 . 10 1 1 A 26 26 VAL HA H 26 3.198 3.507 -0.309 1
1 306 . 10 1 1 A 26 26 VAL C C 26 176.670 177.925 -1.255 1
1 307 . 10 1 1 A 26 26 VAL CA C 26 64.809 66.481 -1.672 1
1 308 . 10 1 1 A 26 26 VAL CB C 26 31.274 31.583 -0.309 1
1 311 . 10 1 1 A 26 26 VAL N N 26 122.369 121.903 0.466 1
1 312 . 10 1 1 A 27 27 ALA H H 27 8.043 7.871 0.172 1
1 313 . 10 1 1 A 27 27 ALA HA H 27 3.775 3.977 -0.202 1
1 317 . 10 1 1 A 27 27 ALA C C 27 178.948 179.122 -0.174 1
1 318 . 10 1 1 A 27 27 ALA CA C 27 55.507 55.685 -0.178 1
1 319 . 10 1 1 A 27 27 ALA CB C 27 17.412 18.083 -0.671 1
1 320 . 10 1 1 A 27 27 ALA N N 27 122.045 122.119 -0.074 1
1 321 . 10 1 1 A 28 28 GLN H H 28 8.089 8.048 0.041 1
1 322 . 10 1 1 A 28 28 GLN HA H 28 4.053 4.043 0.010 1
1 329 . 10 1 1 A 28 28 GLN C C 28 179.289 178.249 1.040 1
1 330 . 10 1 1 A 28 28 GLN CA C 28 58.625 58.305 0.320 1
1 331 . 10 1 1 A 28 28 GLN CB C 28 28.155 28.327 -0.172 1
1 334 . 10 1 1 A 28 28 GLN N N 28 116.168 116.271 -0.103 1
1 336 . 10 1 1 A 29 29 HIS H H 29 7.454 7.982 -0.528 1
1 337 . 10 1 1 A 29 29 HIS HA H 29 4.209 4.078 0.131 1
1 342 . 10 1 1 A 29 29 HIS C C 29 175.895 176.903 -1.008 1
1 343 . 10 1 1 A 29 29 HIS CA C 29 59.132 59.414 -0.282 1
1 344 . 10 1 1 A 29 29 HIS CB C 29 28.947 29.610 -0.663 1
1 347 . 10 1 1 A 29 29 HIS N N 29 118.117 119.640 -1.523 1
1 348 . 10 1 1 A 30 30 VAL H H 30 7.309 7.001 0.308 1
1 349 . 10 1 1 A 30 30 VAL HA H 30 4.441 4.062 0.379 1
1 357 . 10 1 1 A 30 30 VAL C C 30 173.598 174.411 -0.813 1
1 358 . 10 1 1 A 30 30 VAL CA C 30 59.948 60.602 -0.654 1
1 359 . 10 1 1 A 30 30 VAL CB C 30 31.067 31.032 0.035 1
1 362 . 10 1 1 A 30 30 VAL N N 30 106.791 109.483 -2.692 1
1 363 . 10 1 1 A 31 31 CYS H H 31 7.837 7.983 -0.146 1
1 364 . 10 1 1 A 31 31 CYS HA H 31 3.929 4.100 -0.171 1
1 367 . 10 1 1 A 31 31 CYS C C 31 173.679 173.550 0.129 1
1 368 . 10 1 1 A 31 31 CYS CA C 31 59.814 60.412 -0.598 1
1 369 . 10 1 1 A 31 31 CYS CB C 31 24.898 25.992 -1.094 1
1 370 . 10 1 1 A 31 31 CYS N N 31 116.363 117.243 -0.880 1
1 371 . 10 1 1 A 32 32 LEU H H 32 8.061 7.611 0.450 1
1 372 . 10 1 1 A 32 32 LEU HA H 32 4.871 4.771 0.100 1
1 382 . 10 1 1 A 32 32 LEU C C 32 176.243 175.618 0.625 1
1 383 . 10 1 1 A 32 32 LEU CA C 32 52.555 53.331 -0.776 1
1 384 . 10 1 1 A 32 32 LEU CB C 32 48.238 46.604 1.634 1
1 388 . 10 1 1 A 32 32 LEU N N 32 118.159 120.075 -1.916 1
1 389 . 10 1 1 A 33 33 SER H H 33 8.221 8.720 -0.499 1
1 390 . 10 1 1 A 33 33 SER N N 33 116.259 118.229 -1.970 1
1 391 . 10 1 1 A 34 34 PRO HA H 34 3.951 4.338 -0.387 1
1 398 . 10 1 1 A 34 34 PRO C C 34 178.473 178.916 -0.443 1
1 399 . 10 1 1 A 34 34 PRO CA C 34 66.404 64.943 1.461 1
1 400 . 10 1 1 A 34 34 PRO CB C 34 31.712 31.993 -0.281 1
1 403 . 10 1 1 A 35 35 SER H H 35 8.343 8.321 0.022 1
1 404 . 10 1 1 A 35 35 SER HA H 35 4.192 4.194 -0.002 1
1 406 . 10 1 1 A 35 35 SER C C 35 177.361 176.188 1.173 1
1 407 . 10 1 1 A 35 35 SER CA C 35 61.358 61.647 -0.289 1
1 408 . 10 1 1 A 35 35 SER CB C 35 62.140 62.782 -0.642 1
1 409 . 10 1 1 A 35 35 SER N N 35 111.653 114.221 -2.568 1
1 410 . 10 1 1 A 36 36 ARG H H 36 7.868 7.783 0.085 1
1 411 . 10 1 1 A 36 36 ARG HA H 36 4.243 4.246 -0.003 1
1 418 . 10 1 1 A 36 36 ARG C C 36 178.850 178.429 0.421 1
1 419 . 10 1 1 A 36 36 ARG CA C 36 58.714 58.519 0.195 1
1 420 . 10 1 1 A 36 36 ARG CB C 36 29.804 29.957 -0.153 1
1 423 . 10 1 1 A 36 36 ARG N N 36 124.303 121.190 3.113 1
1 424 . 10 1 1 A 37 37 LEU H H 37 8.593 8.240 0.353 1
1 425 . 10 1 1 A 37 37 LEU HA H 37 4.052 4.127 -0.075 1
1 435 . 10 1 1 A 37 37 LEU C C 37 177.894 178.514 -0.620 1
1 436 . 10 1 1 A 37 37 LEU CA C 37 58.289 58.091 0.198 1
1 437 . 10 1 1 A 37 37 LEU CB C 37 40.775 41.391 -0.616 1
1 441 . 10 1 1 A 37 37 LEU N N 37 119.319 121.531 -2.212 1
1 442 . 10 1 1 A 38 38 SER H H 38 8.478 8.530 -0.052 1
1 443 . 10 1 1 A 38 38 SER HA H 38 4.066 4.223 -0.157 1
1 444 . 10 1 1 A 38 38 SER C C 38 176.577 176.452 0.125 1
1 445 . 10 1 1 A 38 38 SER CA C 38 62.824 61.657 1.167 1
1 446 . 10 1 1 A 38 38 SER N N 38 113.612 114.746 -1.134 1
1 447 . 10 1 1 A 39 39 HIS H H 39 7.983 7.537 0.446 1
1 448 . 10 1 1 A 39 39 HIS HA H 39 4.403 4.274 0.129 1
1 453 . 10 1 1 A 39 39 HIS C C 39 177.138 176.912 0.226 1
1 454 . 10 1 1 A 39 39 HIS CA C 39 59.316 60.023 -0.707 1
1 455 . 10 1 1 A 39 39 HIS CB C 39 29.226 30.165 -0.939 1
1 458 . 10 1 1 A 39 39 HIS N N 39 119.938 122.009 -2.071 1
1 459 . 10 1 1 A 40 40 LEU H H 40 8.432 8.277 0.155 1
1 460 . 10 1 1 A 40 40 LEU HA H 40 4.045 3.987 0.058 1
1 470 . 10 1 1 A 40 40 LEU C C 40 178.876 179.064 -0.188 1
1 471 . 10 1 1 A 40 40 LEU CA C 40 57.990 57.829 0.161 1
1 472 . 10 1 1 A 40 40 LEU CB C 40 42.609 41.851 0.758 1
1 476 . 10 1 1 A 40 40 LEU N N 40 120.053 118.866 1.187 1
1 477 . 10 1 1 A 41 41 PHE H H 41 8.937 8.626 0.311 1
1 478 . 10 1 1 A 41 41 PHE HA H 41 3.736 3.921 -0.185 1
1 486 . 10 1 1 A 41 41 PHE C C 41 178.022 177.753 0.269 1
1 487 . 10 1 1 A 41 41 PHE CA C 41 62.523 61.770 0.753 1
1 488 . 10 1 1 A 41 41 PHE CB C 41 39.534 39.009 0.525 1
1 494 . 10 1 1 A 41 41 PHE N N 41 120.491 119.462 1.029 1
1 495 . 10 1 1 A 42 42 ARG H H 42 8.009 8.507 -0.498 1
1 496 . 10 1 1 A 42 42 ARG HA H 42 4.021 4.372 -0.351 1
1 502 . 10 1 1 A 42 42 ARG C C 42 179.850 178.471 1.379 1
1 503 . 10 1 1 A 42 42 ARG CA C 42 59.243 59.270 -0.027 1
1 504 . 10 1 1 A 42 42 ARG CB C 42 29.748 29.739 0.009 1
1 507 . 10 1 1 A 42 42 ARG N N 42 117.688 118.282 -0.594 1
1 508 . 10 1 1 A 43 43 GLN H H 43 8.286 7.720 0.566 1
1 509 . 10 1 1 A 43 43 GLN HA H 43 4.006 3.959 0.047 1
1 516 . 10 1 1 A 43 43 GLN C C 43 177.917 178.228 -0.311 1
1 517 . 10 1 1 A 43 43 GLN CA C 43 58.715 58.879 -0.164 1
1 518 . 10 1 1 A 43 43 GLN CB C 43 29.345 28.587 0.758 1
1 521 . 10 1 1 A 43 43 GLN N N 43 118.179 118.655 -0.476 1
1 523 . 10 1 1 A 44 44 GLN H H 44 8.296 8.073 0.223 1
1 524 . 10 1 1 A 44 44 GLN HA H 44 4.208 4.085 0.123 1
1 531 . 10 1 1 A 44 44 GLN C C 44 177.314 177.326 -0.012 1
1 532 . 10 1 1 A 44 44 GLN CA C 44 57.913 58.093 -0.180 1
1 533 . 10 1 1 A 44 44 GLN CB C 44 29.027 28.550 0.477 1
1 536 . 10 1 1 A 44 44 GLN N N 44 114.928 117.988 -3.060 1
1 538 . 10 1 1 A 45 45 LEU H H 45 8.463 7.992 0.471 1
1 539 . 10 1 1 A 45 45 LEU HA H 45 4.567 4.248 0.319 1
1 549 . 10 1 1 A 45 45 LEU C C 45 178.381 177.257 1.124 1
1 550 . 10 1 1 A 45 45 LEU CA C 45 54.564 55.083 -0.519 1
1 551 . 10 1 1 A 45 45 LEU CB C 45 43.031 42.432 0.599 1
1 555 . 10 1 1 A 45 45 LEU N N 45 117.028 117.569 -0.541 1
1 556 . 10 1 1 A 46 46 GLY H H 46 7.852 8.870 -1.018 1
1 557 . 10 1 1 A 46 46 GLY HA2 H 46 4.005 3.884 0.121 1
1 558 . 10 1 1 A 46 46 GLY HA3 H 46 4.167 3.895 0.272 1
1 559 . 10 1 1 A 46 46 GLY C C 46 173.114 173.461 -0.347 1
1 560 . 10 1 1 A 46 46 GLY CA C 46 46.080 46.072 0.008 1
1 561 . 10 1 1 A 46 46 GLY N N 46 108.569 108.332 0.237 1
1 562 . 10 1 1 A 47 47 ILE H H 47 7.281 7.552 -0.271 1
1 563 . 10 1 1 A 47 47 ILE HA H 47 4.735 4.859 -0.124 1
1 573 . 10 1 1 A 47 47 ILE C C 47 172.231 174.626 -2.395 1
1 574 . 10 1 1 A 47 47 ILE CA C 47 59.240 58.844 0.396 1
1 575 . 10 1 1 A 47 47 ILE CB C 47 42.470 41.846 0.624 1
1 579 . 10 1 1 A 47 47 ILE N N 47 115.396 115.999 -0.603 1
1 580 . 10 1 1 A 48 48 SER H H 48 8.298 8.692 -0.394 1
1 581 . 10 1 1 A 48 48 SER HA H 48 4.725 4.763 -0.038 1
1 584 . 10 1 1 A 48 48 SER C C 48 174.600 175.756 -1.156 1
1 585 . 10 1 1 A 48 48 SER CA C 48 57.092 58.269 -1.177 1
1 586 . 10 1 1 A 48 48 SER CB C 48 65.286 63.760 1.526 1
1 587 . 10 1 1 A 48 48 SER N N 48 115.685 118.657 -2.972 1
1 588 . 10 1 1 A 49 49 VAL H H 49 8.296 8.876 -0.580 1
1 589 . 10 1 1 A 49 49 VAL HA H 49 3.081 3.928 -0.847 1
1 597 . 10 1 1 A 49 49 VAL C C 49 177.888 177.938 -0.050 1
1 598 . 10 1 1 A 49 49 VAL CA C 49 65.881 65.890 -0.009 1
1 599 . 10 1 1 A 49 49 VAL CB C 49 31.149 31.737 -0.588 1
1 602 . 10 1 1 A 49 49 VAL N N 49 120.175 124.697 -4.522 1
1 603 . 10 1 1 A 50 50 LEU H H 50 8.138 8.341 -0.203 1
1 604 . 10 1 1 A 50 50 LEU HA H 50 4.011 4.020 -0.009 1
1 614 . 10 1 1 A 50 50 LEU C C 50 180.412 178.983 1.429 1
1 615 . 10 1 1 A 50 50 LEU CA C 50 57.962 57.962 0.000 1
1 616 . 10 1 1 A 50 50 LEU CB C 50 41.224 41.425 -0.201 1
1 620 . 10 1 1 A 50 50 LEU N N 50 116.998 126.028 -9.030 1
1 621 . 10 1 1 A 51 51 SER H H 51 8.087 8.245 -0.158 1
1 622 . 10 1 1 A 51 51 SER HA H 51 4.279 4.195 0.084 1
1 624 . 10 1 1 A 51 51 SER C C 51 176.081 175.949 0.132 1
1 625 . 10 1 1 A 51 51 SER CA C 51 62.174 62.685 -0.511 1
1 626 . 10 1 1 A 51 51 SER N N 51 117.207 116.864 0.343 1
1 627 . 10 1 1 A 52 52 TRP H H 52 8.913 8.192 0.721 1
1 628 . 10 1 1 A 52 52 TRP HA H 52 4.067 4.308 -0.241 1
1 637 . 10 1 1 A 52 52 TRP C C 52 178.579 177.984 0.595 1
1 638 . 10 1 1 A 52 52 TRP CA C 52 63.288 61.059 2.229 1
1 639 . 10 1 1 A 52 52 TRP CB C 52 29.159 29.888 -0.729 1
1 645 . 10 1 1 A 52 52 TRP N N 52 124.958 124.243 0.715 1
1 647 . 10 1 1 A 53 53 ARG H H 53 8.547 8.762 -0.215 1
1 648 . 10 1 1 A 53 53 ARG HA H 53 3.578 3.598 -0.020 1
1 654 . 10 1 1 A 53 53 ARG C C 53 177.290 178.858 -1.568 1
1 655 . 10 1 1 A 53 53 ARG CA C 53 60.443 59.517 0.926 1
1 656 . 10 1 1 A 53 53 ARG CB C 53 30.001 29.758 0.243 1
1 659 . 10 1 1 A 53 53 ARG N N 53 118.356 118.767 -0.411 1
1 660 . 10 1 1 A 54 54 GLU H H 54 8.002 7.785 0.217 1
1 661 . 10 1 1 A 54 54 GLU HA H 54 4.016 4.110 -0.094 1
1 666 . 10 1 1 A 54 54 GLU C C 54 178.460 178.577 -0.117 1
1 667 . 10 1 1 A 54 54 GLU CA C 54 59.982 59.524 0.458 1
1 668 . 10 1 1 A 54 54 GLU CB C 54 29.759 29.235 0.524 1
1 670 . 10 1 1 A 54 54 GLU N N 54 118.818 118.987 -0.169 1
1 671 . 10 1 1 A 55 55 ASP H H 55 8.111 8.533 -0.422 1
1 672 . 10 1 1 A 55 55 ASP HA H 55 4.289 4.362 -0.073 1
1 675 . 10 1 1 A 55 55 ASP C C 55 179.313 178.347 0.966 1
1 676 . 10 1 1 A 55 55 ASP CA C 55 57.131 57.676 -0.545 1
1 677 . 10 1 1 A 55 55 ASP CB C 55 40.227 42.383 -2.156 1
1 678 . 10 1 1 A 55 55 ASP N N 55 119.156 119.722 -0.566 1
1 679 . 10 1 1 A 56 56 GLN H H 56 8.099 7.164 0.935 1
1 680 . 10 1 1 A 56 56 GLN HA H 56 3.781 3.898 -0.117 1
1 687 . 10 1 1 A 56 56 GLN C C 56 178.700 178.424 0.276 1
1 688 . 10 1 1 A 56 56 GLN CA C 56 57.487 58.716 -1.229 1
1 689 . 10 1 1 A 56 56 GLN CB C 56 27.430 28.015 -0.585 1
1 692 . 10 1 1 A 56 56 GLN N N 56 119.807 117.621 2.186 1
1 694 . 10 1 1 A 57 57 ARG H H 57 8.240 7.660 0.580 1
1 695 . 10 1 1 A 57 57 ARG HA H 57 3.898 3.990 -0.092 1
1 702 . 10 1 1 A 57 57 ARG C C 57 178.185 178.825 -0.640 1
1 703 . 10 1 1 A 57 57 ARG CA C 57 60.671 59.123 1.548 1
1 704 . 10 1 1 A 57 57 ARG CB C 57 31.221 30.006 1.215 1
1 707 . 10 1 1 A 57 57 ARG N N 57 120.129 119.598 0.531 1
1 708 . 10 1 1 A 58 58 ILE H H 58 7.885 7.723 0.162 1
1 709 . 10 1 1 A 58 58 ILE HA H 58 3.978 4.146 -0.168 1
1 719 . 10 1 1 A 58 58 ILE C C 58 178.357 178.335 0.022 1
1 720 . 10 1 1 A 58 58 ILE CA C 58 61.684 64.908 -3.224 1
1 721 . 10 1 1 A 58 58 ILE CB C 58 34.538 37.773 -3.235 1
1 725 . 10 1 1 A 58 58 ILE N N 58 118.096 121.243 -3.147 1
1 726 . 10 1 1 A 59 59 SER H H 59 8.563 8.166 0.397 1
1 727 . 10 1 1 A 59 59 SER HA H 59 4.010 4.140 -0.130 1
1 728 . 10 1 1 A 59 59 SER C C 59 177.731 177.210 0.521 1
1 729 . 10 1 1 A 59 59 SER CA C 59 62.459 61.422 1.037 1
1 730 . 10 1 1 A 59 59 SER N N 59 117.208 115.957 1.251 1
1 731 . 10 1 1 A 60 60 GLN H H 60 8.471 8.134 0.337 1
1 732 . 10 1 1 A 60 60 GLN HA H 60 4.228 3.986 0.242 1
1 739 . 10 1 1 A 60 60 GLN C C 60 177.958 177.534 0.424 1
1 740 . 10 1 1 A 60 60 GLN CA C 60 58.233 58.462 -0.229 1
1 741 . 10 1 1 A 60 60 GLN CB C 60 27.288 28.820 -1.532 1
1 744 . 10 1 1 A 60 60 GLN N N 60 121.780 120.406 1.374 1
1 746 . 10 1 1 A 61 61 ALA H H 61 8.504 7.897 0.607 1
1 747 . 10 1 1 A 61 61 ALA HA H 61 3.947 3.879 0.068 1
1 751 . 10 1 1 A 61 61 ALA C C 61 179.360 179.514 -0.154 1
1 752 . 10 1 1 A 61 61 ALA CA C 61 55.413 55.364 0.049 1
1 753 . 10 1 1 A 61 61 ALA CB C 61 18.124 18.157 -0.033 1
1 754 . 10 1 1 A 61 61 ALA N N 61 122.352 121.924 0.428 1
1 755 . 10 1 1 A 62 62 LYS H H 62 8.776 8.514 0.262 1
1 756 . 10 1 1 A 62 62 LYS HA H 62 3.722 4.152 -0.430 1
1 765 . 10 1 1 A 62 62 LYS C C 62 179.330 178.731 0.599 1
1 766 . 10 1 1 A 62 62 LYS CA C 62 60.632 59.183 1.449 1
1 767 . 10 1 1 A 62 62 LYS CB C 62 32.580 31.866 0.714 1
1 771 . 10 1 1 A 62 62 LYS N N 62 117.072 116.668 0.404 1
1 772 . 10 1 1 A 63 63 LEU H H 63 7.670 7.740 -0.070 1
1 773 . 10 1 1 A 63 63 LEU HA H 63 4.233 4.026 0.207 1
1 783 . 10 1 1 A 63 63 LEU C C 63 180.902 178.356 2.546 1
1 784 . 10 1 1 A 63 63 LEU CA C 63 58.446 58.129 0.317 1
1 785 . 10 1 1 A 63 63 LEU CB C 63 41.598 41.949 -0.351 1
1 789 . 10 1 1 A 63 63 LEU N N 63 121.196 121.112 0.084 1
1 790 . 10 1 1 A 64 64 LEU H H 64 8.585 7.796 0.789 1
1 791 . 10 1 1 A 64 64 LEU HA H 64 4.088 4.020 0.068 1
1 801 . 10 1 1 A 64 64 LEU C C 64 180.869 178.685 2.184 1
1 802 . 10 1 1 A 64 64 LEU CA C 64 57.782 58.043 -0.261 1
1 803 . 10 1 1 A 64 64 LEU CB C 64 42.760 41.120 1.640 1
1 807 . 10 1 1 A 64 64 LEU N N 64 121.842 117.188 4.654 1
1 808 . 10 1 1 A 65 65 LEU H H 65 9.100 8.252 0.848 1
1 809 . 10 1 1 A 65 65 LEU HA H 65 4.346 4.192 0.154 1
1 819 . 10 1 1 A 65 65 LEU C C 65 178.659 178.608 0.051 1
1 820 . 10 1 1 A 65 65 LEU CA C 65 57.408 57.797 -0.389 1
1 821 . 10 1 1 A 65 65 LEU CB C 65 43.013 41.161 1.852 1
1 825 . 10 1 1 A 65 65 LEU N N 65 119.872 122.097 -2.225 1
1 826 . 10 1 1 A 66 66 SER H H 66 8.303 7.824 0.479 1
1 827 . 10 1 1 A 66 66 SER HA H 66 4.211 4.304 -0.093 1
1 829 . 10 1 1 A 66 66 SER C C 66 176.580 176.048 0.532 1
1 830 . 10 1 1 A 66 66 SER CA C 66 60.155 60.843 -0.688 1
1 831 . 10 1 1 A 66 66 SER CB C 66 65.198 63.093 2.105 1
1 832 . 10 1 1 A 66 66 SER N N 66 110.490 114.712 -4.222 1
1 833 . 10 1 1 A 67 67 THR H H 67 7.901 7.736 0.165 1
1 834 . 10 1 1 A 67 67 THR HA H 67 4.812 4.443 0.369 1
1 839 . 10 1 1 A 67 67 THR C C 67 174.240 174.170 0.070 1
1 840 . 10 1 1 A 67 67 THR CA C 67 62.400 62.106 0.294 1
1 841 . 10 1 1 A 67 67 THR CB C 67 71.512 69.319 2.193 1
1 843 . 10 1 1 A 67 67 THR N N 67 108.414 113.438 -5.024 1
1 844 . 10 1 1 A 68 68 THR H H 68 7.507 7.235 0.272 1
1 845 . 10 1 1 A 68 68 THR HA H 68 5.096 4.807 0.289 1
1 850 . 10 1 1 A 68 68 THR C C 68 174.263 174.156 0.107 1
1 851 . 10 1 1 A 68 68 THR CA C 68 60.124 59.545 0.579 1
1 852 . 10 1 1 A 68 68 THR CB C 68 72.795 72.115 0.680 1
1 854 . 10 1 1 A 68 68 THR N N 68 111.673 112.215 -0.542 1
1 855 . 10 1 1 A 69 69 ARG H H 69 8.767 8.691 0.076 1
1 856 . 10 1 1 A 69 69 ARG HA H 69 4.422 4.616 -0.194 1
1 863 . 10 1 1 A 69 69 ARG C C 69 176.568 176.320 0.248 1
1 864 . 10 1 1 A 69 69 ARG CA C 69 53.692 55.445 -1.753 1
1 865 . 10 1 1 A 69 69 ARG CB C 69 28.814 30.669 -1.855 1
1 868 . 10 1 1 A 69 69 ARG N N 69 118.034 122.692 -4.658 1
1 869 . 10 1 1 A 70 70 MET H H 70 7.996 7.623 0.373 1
1 870 . 10 1 1 A 70 70 MET HA H 70 4.470 4.546 -0.076 1
1 878 . 10 1 1 A 70 70 MET CA C 70 55.386 55.254 0.132 1
1 879 . 10 1 1 A 70 70 MET CB C 70 34.080 32.341 1.739 1
1 882 . 10 1 1 A 70 70 MET N N 70 122.491 119.745 2.746 1
1 883 . 10 1 1 A 71 71 PRO HA H 71 4.574 4.574 0.000 1
1 890 . 10 1 1 A 71 71 PRO C C 71 177.204 177.410 -0.206 1
1 891 . 10 1 1 A 71 71 PRO CA C 71 62.915 62.640 0.275 1
1 892 . 10 1 1 A 71 71 PRO CB C 71 32.380 32.699 -0.319 1
1 895 . 10 1 1 A 72 72 ILE H H 72 8.782 8.420 0.362 1
1 896 . 10 1 1 A 72 72 ILE HA H 72 3.407 3.800 -0.393 1
1 906 . 10 1 1 A 72 72 ILE C C 72 177.760 178.134 -0.374 1
1 907 . 10 1 1 A 72 72 ILE CA C 72 65.627 64.714 0.913 1
1 908 . 10 1 1 A 72 72 ILE CB C 72 36.771 37.722 -0.951 1
1 912 . 10 1 1 A 72 72 ILE N N 72 124.417 123.211 1.206 1
1 913 . 10 1 1 A 73 73 ALA H H 73 9.109 8.091 1.018 1
1 914 . 10 1 1 A 73 73 ALA HA H 73 3.974 4.071 -0.097 1
1 918 . 10 1 1 A 73 73 ALA C C 73 180.248 179.795 0.453 1
1 919 . 10 1 1 A 73 73 ALA CA C 73 55.232 55.278 -0.046 1
1 920 . 10 1 1 A 73 73 ALA CB C 73 18.338 18.279 0.059 1
1 921 . 10 1 1 A 73 73 ALA N N 73 119.077 123.441 -4.364 1
1 922 . 10 1 1 A 74 74 THR H H 74 7.112 7.988 -0.876 1
1 923 . 10 1 1 A 74 74 THR HA H 74 3.875 3.927 -0.052 1
1 928 . 10 1 1 A 74 74 THR C C 74 175.761 176.515 -0.754 1
1 929 . 10 1 1 A 74 74 THR CA C 74 65.841 66.424 -0.583 1
1 930 . 10 1 1 A 74 74 THR CB C 74 68.248 68.011 0.237 1
1 932 . 10 1 1 A 74 74 THR N N 74 114.866 114.780 0.086 1
1 933 . 10 1 1 A 75 75 VAL H H 75 8.087 8.293 -0.206 1
1 934 . 10 1 1 A 75 75 VAL HA H 75 3.305 3.530 -0.225 1
1 942 . 10 1 1 A 75 75 VAL C C 75 177.048 177.711 -0.663 1
1 943 . 10 1 1 A 75 75 VAL CA C 75 67.681 66.460 1.221 1
1 944 . 10 1 1 A 75 75 VAL CB C 75 30.831 31.283 -0.452 1
1 947 . 10 1 1 A 75 75 VAL N N 75 123.901 121.443 2.458 1
1 948 . 10 1 1 A 76 76 GLY H H 76 7.673 7.939 -0.266 1
1 949 . 10 1 1 A 76 76 GLY HA2 H 76 2.235 3.478 -1.243 1
1 950 . 10 1 1 A 76 76 GLY HA3 H 76 3.003 3.704 -0.701 1
1 951 . 10 1 1 A 76 76 GLY C C 76 176.562 175.582 0.980 1
1 952 . 10 1 1 A 76 76 GLY CA C 76 46.293 47.060 -0.767 1
1 953 . 10 1 1 A 76 76 GLY N N 76 102.438 107.424 -4.986 1
1 954 . 10 1 1 A 77 77 ARG H H 77 7.760 7.688 0.072 1
1 955 . 10 1 1 A 77 77 ARG HA H 77 3.982 3.950 0.032 1
1 962 . 10 1 1 A 77 77 ARG C C 77 180.332 178.767 1.565 1
1 963 . 10 1 1 A 77 77 ARG CA C 77 59.550 59.235 0.315 1
1 964 . 10 1 1 A 77 77 ARG CB C 77 30.085 30.035 0.050 1
1 967 . 10 1 1 A 77 77 ARG N N 77 122.228 121.510 0.718 1
1 968 . 10 1 1 A 78 78 ASN H H 78 8.230 7.814 0.416 1
1 969 . 10 1 1 A 78 78 ASN HA H 78 4.397 4.467 -0.070 1
1 974 . 10 1 1 A 78 78 ASN C C 78 176.105 176.500 -0.395 1
1 975 . 10 1 1 A 78 78 ASN CA C 78 55.615 55.120 0.495 1
1 976 . 10 1 1 A 78 78 ASN CB C 78 38.806 38.640 0.166 1
1 978 . 10 1 1 A 78 78 ASN N N 78 119.139 116.879 2.260 1
1 980 . 10 1 1 A 79 79 VAL H H 79 7.323 7.342 -0.019 1
1 981 . 10 1 1 A 79 79 VAL HA H 79 4.438 4.189 0.249 1
1 989 . 10 1 1 A 79 79 VAL C C 79 174.220 175.161 -0.941 1
1 990 . 10 1 1 A 79 79 VAL CA C 79 59.911 60.007 -0.096 1
1 991 . 10 1 1 A 79 79 VAL CB C 79 31.400 30.949 0.451 1
1 994 . 10 1 1 A 79 79 VAL N N 79 108.664 111.238 -2.574 1
1 995 . 10 1 1 A 80 80 GLY H H 80 7.286 7.561 -0.275 1
1 996 . 10 1 1 A 80 80 GLY HA2 H 80 3.540 3.763 -0.223 1
1 997 . 10 1 1 A 80 80 GLY HA3 H 80 4.023 3.831 0.192 1
1 998 . 10 1 1 A 80 80 GLY C C 80 174.383 174.316 0.067 1
1 999 . 10 1 1 A 80 80 GLY CA C 80 45.739 45.612 0.127 1
1 1000 . 10 1 1 A 80 80 GLY N N 80 104.635 109.722 -5.087 1
1 1001 . 10 1 1 A 81 81 PHE H H 81 8.535 7.751 0.784 1
1 1002 . 10 1 1 A 81 81 PHE HA H 81 4.845 4.314 0.531 1
1 1010 . 10 1 1 A 81 81 PHE C C 81 174.570 175.271 -0.701 1
1 1011 . 10 1 1 A 81 81 PHE CA C 81 56.375 58.650 -2.275 1
1 1012 . 10 1 1 A 81 81 PHE CB C 81 39.941 39.087 0.854 1
1 1018 . 10 1 1 A 81 81 PHE N N 81 119.772 119.254 0.518 1
1 1019 . 10 1 1 A 82 82 ASP H H 82 8.564 8.870 -0.306 1
1 1020 . 10 1 1 A 82 82 ASP HA H 82 4.491 4.734 -0.243 1
1 1023 . 10 1 1 A 82 82 ASP C C 82 175.170 176.215 -1.045 1
1 1024 . 10 1 1 A 82 82 ASP CA C 82 55.195 56.005 -0.810 1
1 1025 . 10 1 1 A 82 82 ASP CB C 82 41.010 42.269 -1.259 1
1 1026 . 10 1 1 A 82 82 ASP N N 82 123.028 124.711 -1.683 1
1 1027 . 10 1 1 A 83 83 ASP H H 83 7.789 7.597 0.192 1
1 1028 . 10 1 1 A 83 83 ASP HA H 83 4.947 4.876 0.071 1
1 1031 . 10 1 1 A 83 83 ASP C C 83 176.347 177.044 -0.697 1
1 1032 . 10 1 1 A 83 83 ASP CA C 83 52.690 53.898 -1.208 1
1 1033 . 10 1 1 A 83 83 ASP CB C 83 43.152 41.701 1.451 1
1 1034 . 10 1 1 A 83 83 ASP N N 83 118.576 118.922 -0.346 1
1 1035 . 10 1 1 A 84 84 GLN H H 84 9.104 8.722 0.382 1
1 1036 . 10 1 1 A 84 84 GLN HA H 84 4.333 4.198 0.135 1
1 1043 . 10 1 1 A 84 84 GLN C C 84 177.986 178.193 -0.207 1
1 1044 . 10 1 1 A 84 84 GLN CA C 84 58.909 58.727 0.182 1
1 1045 . 10 1 1 A 84 84 GLN CB C 84 28.267 27.976 0.291 1
1 1048 . 10 1 1 A 84 84 GLN N N 84 126.543 124.580 1.963 1
1 1050 . 10 1 1 A 85 85 LEU H H 85 8.419 8.211 0.208 1
1 1051 . 10 1 1 A 85 85 LEU HA H 85 4.210 4.271 -0.061 1
1 1061 . 10 1 1 A 85 85 LEU C C 85 179.472 178.941 0.531 1
1 1062 . 10 1 1 A 85 85 LEU CA C 85 57.958 57.634 0.324 1
1 1063 . 10 1 1 A 85 85 LEU CB C 85 40.678 41.740 -1.062 1
1 1067 . 10 1 1 A 85 85 LEU N N 85 123.486 121.475 2.011 1
1 1068 . 10 1 1 A 86 86 TYR H H 86 8.042 8.419 -0.377 1
1 1069 . 10 1 1 A 86 86 TYR HA H 86 4.288 4.055 0.233 1
1 1076 . 10 1 1 A 86 86 TYR C C 86 177.195 177.053 0.142 1
1 1077 . 10 1 1 A 86 86 TYR CA C 86 60.367 61.617 -1.250 1
1 1078 . 10 1 1 A 86 86 TYR CB C 86 38.184 38.404 -0.220 1
1 1083 . 10 1 1 A 86 86 TYR N N 86 122.679 120.099 2.580 1
1 1084 . 10 1 1 A 87 87 PHE H H 87 8.219 8.126 0.093 1
1 1085 . 10 1 1 A 87 87 PHE HA H 87 3.261 3.893 -0.632 1
1 1093 . 10 1 1 A 87 87 PHE C C 87 175.875 177.787 -1.912 1
1 1094 . 10 1 1 A 87 87 PHE CA C 87 58.536 62.166 -3.630 1
1 1095 . 10 1 1 A 87 87 PHE CB C 87 38.124 39.391 -1.267 1
1 1101 . 10 1 1 A 87 87 PHE N N 87 116.536 118.171 -1.635 1
1 1102 . 10 1 1 A 88 88 SER H H 88 8.082 8.446 -0.364 1
1 1103 . 10 1 1 A 88 88 SER HA H 88 3.951 3.866 0.085 1
1 1105 . 10 1 1 A 88 88 SER C C 88 175.926 176.988 -1.062 1
1 1106 . 10 1 1 A 88 88 SER CA C 88 62.398 61.535 0.863 1
1 1107 . 10 1 1 A 88 88 SER N N 88 112.937 113.832 -0.895 1
1 1108 . 10 1 1 A 89 89 ARG H H 89 7.843 8.060 -0.217 1
1 1109 . 10 1 1 A 89 89 ARG HA H 89 3.975 4.023 -0.048 1
1 1116 . 10 1 1 A 89 89 ARG C C 89 179.414 178.826 0.588 1
1 1117 . 10 1 1 A 89 89 ARG CA C 89 59.452 59.097 0.355 1
1 1118 . 10 1 1 A 89 89 ARG CB C 89 30.242 29.879 0.363 1
1 1121 . 10 1 1 A 89 89 ARG N N 89 121.621 122.065 -0.444 1
1 1122 . 10 1 1 A 90 90 VAL H H 90 8.235 7.601 0.634 1
1 1123 . 10 1 1 A 90 90 VAL HA H 90 3.530 3.438 0.092 1
1 1131 . 10 1 1 A 90 90 VAL C C 90 177.752 177.986 -0.234 1
1 1132 . 10 1 1 A 90 90 VAL CA C 90 66.208 66.124 0.084 1
1 1133 . 10 1 1 A 90 90 VAL CB C 90 31.649 31.732 -0.083 1
1 1136 . 10 1 1 A 90 90 VAL N N 90 122.095 119.716 2.379 1
1 1137 . 10 1 1 A 91 91 PHE H H 91 8.763 8.639 0.124 1
1 1138 . 10 1 1 A 91 91 PHE HA H 91 3.584 3.972 -0.388 1
1 1141 . 10 1 1 A 91 91 PHE C C 91 178.386 177.373 1.013 1
1 1142 . 10 1 1 A 91 91 PHE CA C 91 62.523 60.545 1.978 1
1 1143 . 10 1 1 A 91 91 PHE CB C 91 39.528 38.425 1.103 1
1 1144 . 10 1 1 A 91 91 PHE N N 91 121.769 120.102 1.667 1
1 1145 . 10 1 1 A 92 92 LYS H H 92 8.237 8.454 -0.217 1
1 1146 . 10 1 1 A 92 92 LYS HA H 92 4.217 4.268 -0.051 1
1 1153 . 10 1 1 A 92 92 LYS C C 92 179.621 179.417 0.204 1
1 1154 . 10 1 1 A 92 92 LYS CA C 92 58.597 60.010 -1.413 1
1 1155 . 10 1 1 A 92 92 LYS CB C 92 32.290 32.621 -0.331 1
1 1159 . 10 1 1 A 92 92 LYS N N 92 121.441 118.305 3.136 1
1 1160 . 10 1 1 A 93 93 LYS H H 93 8.013 7.601 0.412 1
1 1161 . 10 1 1 A 93 93 LYS HA H 93 3.956 4.053 -0.097 1
1 1169 . 10 1 1 A 93 93 LYS C C 93 178.611 179.373 -0.762 1
1 1170 . 10 1 1 A 93 93 LYS CA C 93 59.356 58.971 0.385 1
1 1171 . 10 1 1 A 93 93 LYS CB C 93 31.785 31.709 0.076 1
1 1175 . 10 1 1 A 93 93 LYS N N 93 122.286 118.271 4.015 1
1 1176 . 10 1 1 A 94 94 CYS H H 94 7.818 7.861 -0.043 1
1 1177 . 10 1 1 A 94 94 CYS HA H 94 4.224 3.943 0.281 1
1 1180 . 10 1 1 A 94 94 CYS C C 94 176.440 175.819 0.621 1
1 1181 . 10 1 1 A 94 94 CYS CA C 94 62.517 62.396 0.121 1
1 1182 . 10 1 1 A 94 94 CYS CB C 94 28.104 26.309 1.795 1
1 1183 . 10 1 1 A 94 94 CYS N N 94 113.581 118.823 -5.242 1
1 1184 . 10 1 1 A 95 95 THR H H 95 8.038 7.132 0.906 1
1 1185 . 10 1 1 A 95 95 THR HA H 95 4.397 4.386 0.011 1
1 1190 . 10 1 1 A 95 95 THR C C 95 176.237 175.756 0.481 1
1 1191 . 10 1 1 A 95 95 THR CA C 95 62.507 61.679 0.828 1
1 1192 . 10 1 1 A 95 95 THR CB C 95 71.481 70.455 1.026 1
1 1194 . 10 1 1 A 95 95 THR N N 95 106.903 108.304 -1.401 1
1 1195 . 10 1 1 A 96 96 GLY H H 96 8.526 8.814 -0.288 1
1 1196 . 10 1 1 A 96 96 GLY HA2 H 96 3.724 3.850 -0.126 1
1 1197 . 10 1 1 A 96 96 GLY HA3 H 96 4.374 3.862 0.512 1
1 1198 . 10 1 1 A 96 96 GLY C C 96 172.550 173.341 -0.791 1
1 1199 . 10 1 1 A 96 96 GLY CA C 96 45.264 45.284 -0.020 1
1 1200 . 10 1 1 A 96 96 GLY N N 96 112.762 111.436 1.326 1
1 1201 . 10 1 1 A 97 97 ALA H H 97 8.560 7.049 1.511 1
1 1202 . 10 1 1 A 97 97 ALA HA H 97 4.841 4.810 0.031 1
1 1206 . 10 1 1 A 97 97 ALA C C 97 175.280 176.249 -0.969 1
1 1207 . 10 1 1 A 97 97 ALA CA C 97 50.176 51.056 -0.880 1
1 1208 . 10 1 1 A 97 97 ALA CB C 97 22.551 22.942 -0.391 1
1 1209 . 10 1 1 A 97 97 ALA N N 97 125.656 120.893 4.763 1
1 1210 . 10 1 1 A 98 98 SER H H 98 8.817 8.633 0.184 1
1 1211 . 10 1 1 A 98 98 SER HA H 98 4.656 4.790 -0.134 1
1 1212 . 10 1 1 A 98 98 SER CA C 98 56.612 56.889 -0.277 1
1 1213 . 10 1 1 A 98 98 SER N N 98 114.919 115.183 -0.264 1
1 1214 . 10 1 1 A 99 99 PRO HA H 99 3.500 4.433 -0.933 1
1 1220 . 10 1 1 A 99 99 PRO C C 99 177.585 177.943 -0.358 1
1 1221 . 10 1 1 A 99 99 PRO CA C 99 66.202 64.538 1.664 1
1 1222 . 10 1 1 A 99 99 PRO CB C 99 32.030 31.755 0.275 1
1 1225 . 10 1 1 A 100 100 SER H H 100 8.254 8.214 0.040 1
1 1226 . 10 1 1 A 100 100 SER HA H 100 4.029 4.290 -0.261 1
1 1227 . 10 1 1 A 100 100 SER C C 100 177.441 177.032 0.409 1
1 1228 . 10 1 1 A 100 100 SER CA C 100 61.891 60.993 0.898 1
1 1229 . 10 1 1 A 100 100 SER N N 100 111.230 112.210 -0.980 1
1 1230 . 10 1 1 A 101 101 GLU H H 101 7.848 7.919 -0.071 1
1 1231 . 10 1 1 A 101 101 GLU HA H 101 4.021 4.079 -0.058 1
1 1236 . 10 1 1 A 101 101 GLU C C 101 179.288 178.761 0.527 1
1 1237 . 10 1 1 A 101 101 GLU CA C 101 58.822 59.379 -0.557 1
1 1238 . 10 1 1 A 101 101 GLU CB C 101 29.846 29.586 0.260 1
1 1240 . 10 1 1 A 101 101 GLU N N 101 125.150 121.497 3.653 1
1 1241 . 10 1 1 A 102 102 PHE H H 102 8.923 8.111 0.812 1
1 1242 . 10 1 1 A 102 102 PHE HA H 102 4.155 4.184 -0.029 1
1 1245 . 10 1 1 A 102 102 PHE C C 102 178.343 177.855 0.488 1
1 1246 . 10 1 1 A 102 102 PHE CA C 102 61.315 61.661 -0.346 1
1 1247 . 10 1 1 A 102 102 PHE CB C 102 40.083 39.532 0.551 1
1 1248 . 10 1 1 A 102 102 PHE N N 102 121.281 120.861 0.420 1
1 1249 . 10 1 1 A 103 103 ARG H H 103 8.210 8.282 -0.072 1
1 1250 . 10 1 1 A 103 103 ARG HA H 103 3.830 4.141 -0.311 1
1 1257 . 10 1 1 A 103 103 ARG C C 103 177.602 178.473 -0.871 1
1 1258 . 10 1 1 A 103 103 ARG CA C 103 59.235 58.876 0.359 1
1 1261 . 10 1 1 A 103 103 ARG N N 103 119.223 118.620 0.603 1
1 1262 . 10 1 1 A 104 104 ALA H H 104 7.905 7.352 0.553 1
1 1263 . 10 1 1 A 104 104 ALA HA H 104 4.186 4.243 -0.057 1
1 1267 . 10 1 1 A 104 104 ALA C C 104 179.126 177.935 1.191 1
1 1268 . 10 1 1 A 104 104 ALA CA C 104 54.188 52.690 1.498 1
1 1269 . 10 1 1 A 104 104 ALA CB C 104 18.254 19.627 -1.373 1
1 1270 . 10 1 1 A 104 104 ALA N N 104 120.546 119.654 0.892 1
1 1271 . 10 1 1 A 105 105 GLY H H 105 7.676 7.703 -0.027 1
1 1272 . 10 1 1 A 105 105 GLY HA2 H 105 3.849 3.777 0.072 1
1 1273 . 10 1 1 A 105 105 GLY HA3 H 105 4.052 3.851 0.201 1
1 1274 . 10 1 1 A 105 105 GLY C C 105 174.515 173.853 0.662 1
1 1275 . 10 1 1 A 105 105 GLY CA C 105 45.317 45.107 0.210 1
1 1276 . 10 1 1 A 105 105 GLY N N 105 104.677 106.600 -1.923 1
1 1277 . 10 1 1 A 106 106 CYS H H 106 7.599 7.762 -0.163 1
1 1278 . 10 1 1 A 106 106 CYS HA H 106 4.447 4.634 -0.187 1
1 1281 . 10 1 1 A 106 106 CYS C C 106 173.823 174.025 -0.202 1
1 1282 . 10 1 1 A 106 106 CYS CA C 106 59.123 58.487 0.636 1
1 1283 . 10 1 1 A 106 106 CYS CB C 106 28.004 28.735 -0.731 1
1 1284 . 10 1 1 A 106 106 CYS N N 106 118.321 119.943 -1.622 1
1 14 . 11 1 1 A 2 2 ASP H H 2 8.989 8.474 0.515 1
1 15 . 11 1 1 A 2 2 ASP HA H 2 4.662 4.640 0.022 1
1 18 . 11 1 1 A 2 2 ASP C C 2 177.024 177.094 -0.070 1
1 19 . 11 1 1 A 2 2 ASP CA C 2 54.092 54.322 -0.230 1
1 20 . 11 1 1 A 2 2 ASP CB C 2 42.743 42.849 -0.106 1
1 21 . 11 1 1 A 2 2 ASP N N 2 126.287 123.028 3.259 1
1 22 . 11 1 1 A 3 3 ASN H H 3 9.165 9.026 0.139 1
1 23 . 11 1 1 A 3 3 ASN HA H 3 4.446 4.416 0.030 1
1 28 . 11 1 1 A 3 3 ASN C C 3 177.306 177.483 -0.177 1
1 29 . 11 1 1 A 3 3 ASN CA C 3 56.355 56.233 0.122 1
1 30 . 11 1 1 A 3 3 ASN CB C 3 38.382 37.476 0.906 1
1 32 . 11 1 1 A 3 3 ASN N N 3 124.055 123.421 0.634 1
1 34 . 11 1 1 A 4 4 ARG H H 4 9.092 7.746 1.346 1
1 35 . 11 1 1 A 4 4 ARG HA H 4 4.183 4.007 0.176 1
1 42 . 11 1 1 A 4 4 ARG C C 4 178.824 178.673 0.151 1
1 43 . 11 1 1 A 4 4 ARG CA C 4 59.401 59.285 0.116 1
1 44 . 11 1 1 A 4 4 ARG CB C 4 29.437 29.873 -0.436 1
1 47 . 11 1 1 A 4 4 ARG N N 4 119.970 119.470 0.500 1
1 48 . 11 1 1 A 5 5 VAL H H 5 7.588 8.079 -0.491 1
1 49 . 11 1 1 A 5 5 VAL HA H 5 3.458 3.649 -0.191 1
1 57 . 11 1 1 A 5 5 VAL C C 5 177.573 178.326 -0.753 1
1 58 . 11 1 1 A 5 5 VAL CA C 5 66.543 66.674 -0.131 1
1 59 . 11 1 1 A 5 5 VAL CB C 5 31.294 31.175 0.119 1
1 62 . 11 1 1 A 5 5 VAL N N 5 119.312 119.531 -0.219 1
1 63 . 11 1 1 A 6 6 ARG H H 6 7.920 8.110 -0.190 1
1 64 . 11 1 1 A 6 6 ARG HA H 6 3.860 3.887 -0.027 1
1 71 . 11 1 1 A 6 6 ARG C C 6 179.380 178.368 1.012 1
1 72 . 11 1 1 A 6 6 ARG CA C 6 60.197 59.303 0.894 1
1 73 . 11 1 1 A 6 6 ARG CB C 6 29.818 29.788 0.030 1
1 76 . 11 1 1 A 6 6 ARG N N 6 120.863 119.789 1.074 1
1 77 . 11 1 1 A 7 7 GLU H H 7 8.262 8.433 -0.171 1
1 78 . 11 1 1 A 7 7 GLU HA H 7 4.241 4.172 0.069 1
1 83 . 11 1 1 A 7 7 GLU C C 7 179.131 178.868 0.263 1
1 84 . 11 1 1 A 7 7 GLU CA C 7 58.770 59.449 -0.679 1
1 85 . 11 1 1 A 7 7 GLU CB C 7 28.883 29.224 -0.341 1
1 87 . 11 1 1 A 7 7 GLU N N 7 119.166 119.663 -0.497 1
1 88 . 11 1 1 A 8 8 ALA H H 8 8.421 8.067 0.354 1
1 89 . 11 1 1 A 8 8 ALA HA H 8 4.046 4.403 -0.357 1
1 93 . 11 1 1 A 8 8 ALA C C 8 179.202 179.908 -0.706 1
1 94 . 11 1 1 A 8 8 ALA CA C 8 55.610 55.274 0.336 1
1 95 . 11 1 1 A 8 8 ALA CB C 8 18.512 18.547 -0.035 1
1 96 . 11 1 1 A 8 8 ALA N N 8 123.947 121.269 2.678 1
1 97 . 11 1 1 A 9 9 CYS H H 9 8.490 8.251 0.239 1
1 98 . 11 1 1 A 9 9 CYS HA H 9 3.767 4.295 -0.528 1
1 101 . 11 1 1 A 9 9 CYS C C 9 176.858 177.209 -0.351 1
1 102 . 11 1 1 A 9 9 CYS CA C 9 64.480 62.491 1.989 1
1 103 . 11 1 1 A 9 9 CYS CB C 9 26.690 27.276 -0.586 1
1 104 . 11 1 1 A 9 9 CYS N N 9 116.232 118.257 -2.025 1
1 105 . 11 1 1 A 10 10 GLN H H 10 8.088 8.186 -0.098 1
1 106 . 11 1 1 A 10 10 GLN HA H 10 4.022 4.180 -0.158 1
1 113 . 11 1 1 A 10 10 GLN C C 10 177.140 177.955 -0.815 1
1 114 . 11 1 1 A 10 10 GLN CA C 10 58.804 58.767 0.037 1
1 115 . 11 1 1 A 10 10 GLN CB C 10 28.299 28.795 -0.496 1
1 118 . 11 1 1 A 10 10 GLN N N 10 120.817 120.791 0.026 1
1 120 . 11 1 1 A 11 11 TYR H H 11 8.367 7.687 0.680 1
1 121 . 11 1 1 A 11 11 TYR HA H 11 4.308 4.145 0.163 1
1 128 . 11 1 1 A 11 11 TYR C C 11 178.986 177.161 1.825 1
1 129 . 11 1 1 A 11 11 TYR CA C 11 61.850 61.454 0.396 1
1 130 . 11 1 1 A 11 11 TYR CB C 11 38.653 38.458 0.195 1
1 135 . 11 1 1 A 11 11 TYR N N 11 120.419 120.805 -0.386 1
1 136 . 11 1 1 A 12 12 ILE H H 12 8.886 8.432 0.454 1
1 137 . 11 1 1 A 12 12 ILE HA H 12 3.700 3.285 0.415 1
1 147 . 11 1 1 A 12 12 ILE C C 12 179.352 177.909 1.443 1
1 148 . 11 1 1 A 12 12 ILE CA C 12 65.621 65.130 0.491 1
1 149 . 11 1 1 A 12 12 ILE CB C 12 38.203 37.973 0.230 1
1 153 . 11 1 1 A 12 12 ILE N N 12 119.720 121.583 -1.863 1
1 154 . 11 1 1 A 13 13 SER H H 13 8.740 8.532 0.208 1
1 155 . 11 1 1 A 13 13 SER HA H 13 4.753 4.179 0.574 1
1 158 . 11 1 1 A 13 13 SER C C 13 176.355 177.100 -0.745 1
1 159 . 11 1 1 A 13 13 SER CA C 13 62.551 61.465 1.086 1
1 160 . 11 1 1 A 13 13 SER CB C 13 62.468 62.018 0.450 1
1 161 . 11 1 1 A 13 13 SER N N 13 116.217 115.585 0.632 1
1 162 . 11 1 1 A 14 14 ASP H H 14 8.426 7.997 0.429 1
1 163 . 11 1 1 A 14 14 ASP HA H 14 4.438 4.404 0.034 1
1 166 . 11 1 1 A 14 14 ASP C C 14 176.838 177.907 -1.069 1
1 167 . 11 1 1 A 14 14 ASP CA C 14 55.988 57.285 -1.297 1
1 168 . 11 1 1 A 14 14 ASP CB C 14 40.500 40.550 -0.050 1
1 169 . 11 1 1 A 14 14 ASP N N 14 121.201 122.119 -0.918 1
1 170 . 11 1 1 A 15 15 HIS H H 15 7.530 7.341 0.189 1
1 171 . 11 1 1 A 15 15 HIS HA H 15 4.661 4.597 0.064 1
1 176 . 11 1 1 A 15 15 HIS C C 15 175.451 175.518 -0.067 1
1 177 . 11 1 1 A 15 15 HIS CA C 15 55.320 55.649 -0.329 1
1 178 . 11 1 1 A 15 15 HIS CB C 15 28.275 29.030 -0.755 1
1 181 . 11 1 1 A 15 15 HIS N N 15 116.777 115.031 1.746 1
1 182 . 11 1 1 A 16 16 LEU H H 16 7.271 7.432 -0.161 1
1 183 . 11 1 1 A 16 16 LEU HA H 16 3.812 3.854 -0.042 1
1 193 . 11 1 1 A 16 16 LEU C C 16 176.627 178.217 -1.590 1
1 194 . 11 1 1 A 16 16 LEU CA C 16 58.076 57.696 0.380 1
1 195 . 11 1 1 A 16 16 LEU CB C 16 42.531 41.269 1.262 1
1 199 . 11 1 1 A 16 16 LEU N N 16 122.531 122.478 0.053 1
1 200 . 11 1 1 A 17 17 ALA H H 17 8.243 7.274 0.969 1
1 201 . 11 1 1 A 17 17 ALA HA H 17 3.937 4.358 -0.421 1
1 205 . 11 1 1 A 17 17 ALA C C 17 177.131 177.095 0.036 1
1 206 . 11 1 1 A 17 17 ALA CA C 17 51.802 51.874 -0.072 1
1 207 . 11 1 1 A 17 17 ALA CB C 17 18.473 20.167 -1.694 1
1 208 . 11 1 1 A 17 17 ALA N N 17 116.354 119.462 -3.108 1
1 209 . 11 1 1 A 18 18 ASP H H 18 7.488 7.547 -0.059 1
1 210 . 11 1 1 A 18 18 ASP HA H 18 4.455 4.451 0.004 1
1 213 . 11 1 1 A 18 18 ASP C C 18 177.370 176.180 1.190 1
1 214 . 11 1 1 A 18 18 ASP CA C 18 54.571 54.436 0.135 1
1 215 . 11 1 1 A 18 18 ASP CB C 18 40.521 42.590 -2.069 1
1 216 . 11 1 1 A 18 18 ASP N N 18 119.230 118.840 0.390 1
1 217 . 11 1 1 A 19 19 SER H H 19 8.793 8.780 0.013 1
1 218 . 11 1 1 A 19 19 SER HA H 19 4.424 4.612 -0.188 1
1 221 . 11 1 1 A 19 19 SER C C 19 174.779 175.023 -0.244 1
1 222 . 11 1 1 A 19 19 SER CA C 19 59.706 60.937 -1.231 1
1 223 . 11 1 1 A 19 19 SER CB C 19 63.351 63.829 -0.478 1
1 224 . 11 1 1 A 19 19 SER N N 19 119.892 118.256 1.636 1
1 225 . 11 1 1 A 20 20 ASN H H 20 8.520 8.056 0.464 1
1 226 . 11 1 1 A 20 20 ASN HA H 20 4.869 4.898 -0.029 1
1 231 . 11 1 1 A 20 20 ASN C C 20 173.838 174.417 -0.579 1
1 232 . 11 1 1 A 20 20 ASN CA C 20 52.586 53.187 -0.601 1
1 233 . 11 1 1 A 20 20 ASN CB C 20 38.799 38.275 0.524 1
1 235 . 11 1 1 A 20 20 ASN N N 20 119.769 119.123 0.646 1
1 237 . 11 1 1 A 21 21 PHE H H 21 8.082 9.091 -1.009 1
1 238 . 11 1 1 A 21 21 PHE HA H 21 4.397 5.251 -0.854 1
1 246 . 11 1 1 A 21 21 PHE C C 21 173.520 173.530 -0.010 1
1 247 . 11 1 1 A 21 21 PHE CA C 21 58.672 56.709 1.963 1
1 248 . 11 1 1 A 21 21 PHE CB C 21 40.704 41.970 -1.266 1
1 254 . 11 1 1 A 21 21 PHE N N 21 121.875 126.350 -4.475 1
1 255 . 11 1 1 A 22 22 ASP H H 22 7.570 8.691 -1.121 1
1 256 . 11 1 1 A 22 22 ASP HA H 22 4.563 4.780 -0.217 1
1 259 . 11 1 1 A 22 22 ASP C C 22 175.674 175.943 -0.269 1
1 260 . 11 1 1 A 22 22 ASP CA C 22 52.049 52.307 -0.258 1
1 261 . 11 1 1 A 22 22 ASP CB C 22 43.023 42.556 0.467 1
1 262 . 11 1 1 A 22 22 ASP N N 22 126.780 127.866 -1.086 1
1 263 . 11 1 1 A 23 23 ILE H H 23 8.720 8.350 0.370 1
1 264 . 11 1 1 A 23 23 ILE HA H 23 3.555 3.650 -0.095 1
1 274 . 11 1 1 A 23 23 ILE C C 23 176.441 177.426 -0.985 1
1 275 . 11 1 1 A 23 23 ILE CA C 23 63.650 63.366 0.284 1
1 276 . 11 1 1 A 23 23 ILE CB C 23 37.741 37.791 -0.050 1
1 280 . 11 1 1 A 23 23 ILE N N 23 124.815 126.769 -1.954 1
1 281 . 11 1 1 A 24 24 ALA H H 24 8.543 7.968 0.575 1
1 282 . 11 1 1 A 24 24 ALA HA H 24 3.917 4.037 -0.120 1
1 286 . 11 1 1 A 24 24 ALA C C 24 180.227 179.688 0.539 1
1 287 . 11 1 1 A 24 24 ALA CA C 24 55.413 55.331 0.082 1
1 288 . 11 1 1 A 24 24 ALA CB C 24 17.760 17.822 -0.062 1
1 289 . 11 1 1 A 24 24 ALA N N 24 123.943 124.088 -0.145 1
1 290 . 11 1 1 A 25 25 SER H H 25 7.844 7.704 0.140 1
1 291 . 11 1 1 A 25 25 SER HA H 25 4.246 4.020 0.226 1
1 293 . 11 1 1 A 25 25 SER C C 25 176.667 176.288 0.379 1
1 294 . 11 1 1 A 25 25 SER CA C 25 61.238 61.675 -0.437 1
1 295 . 11 1 1 A 25 25 SER CB C 25 62.402 62.937 -0.535 1
1 296 . 11 1 1 A 25 25 SER N N 25 114.143 113.419 0.724 1
1 297 . 11 1 1 A 26 26 VAL H H 26 7.086 8.026 -0.940 1
1 298 . 11 1 1 A 26 26 VAL HA H 26 3.198 3.718 -0.520 1
1 306 . 11 1 1 A 26 26 VAL C C 26 176.670 178.115 -1.445 1
1 307 . 11 1 1 A 26 26 VAL CA C 26 64.809 66.820 -2.011 1
1 308 . 11 1 1 A 26 26 VAL CB C 26 31.274 31.657 -0.383 1
1 311 . 11 1 1 A 26 26 VAL N N 26 122.369 122.195 0.174 1
1 312 . 11 1 1 A 27 27 ALA H H 27 8.043 7.803 0.240 1
1 313 . 11 1 1 A 27 27 ALA HA H 27 3.775 3.963 -0.188 1
1 317 . 11 1 1 A 27 27 ALA C C 27 178.948 179.409 -0.461 1
1 318 . 11 1 1 A 27 27 ALA CA C 27 55.507 55.555 -0.048 1
1 319 . 11 1 1 A 27 27 ALA CB C 27 17.412 17.780 -0.368 1
1 320 . 11 1 1 A 27 27 ALA N N 27 122.045 122.095 -0.050 1
1 321 . 11 1 1 A 28 28 GLN H H 28 8.089 8.104 -0.015 1
1 322 . 11 1 1 A 28 28 GLN HA H 28 4.053 4.043 0.010 1
1 329 . 11 1 1 A 28 28 GLN C C 28 179.289 178.427 0.862 1
1 330 . 11 1 1 A 28 28 GLN CA C 28 58.625 58.737 -0.112 1
1 331 . 11 1 1 A 28 28 GLN CB C 28 28.155 28.223 -0.068 1
1 334 . 11 1 1 A 28 28 GLN N N 28 116.168 118.479 -2.311 1
1 336 . 11 1 1 A 29 29 HIS H H 29 7.454 8.042 -0.588 1
1 337 . 11 1 1 A 29 29 HIS HA H 29 4.209 4.071 0.138 1
1 342 . 11 1 1 A 29 29 HIS C C 29 175.895 176.958 -1.063 1
1 343 . 11 1 1 A 29 29 HIS CA C 29 59.132 59.368 -0.236 1
1 344 . 11 1 1 A 29 29 HIS CB C 29 28.947 29.653 -0.706 1
1 347 . 11 1 1 A 29 29 HIS N N 29 118.117 120.004 -1.887 1
1 348 . 11 1 1 A 30 30 VAL H H 30 7.309 7.336 -0.027 1
1 349 . 11 1 1 A 30 30 VAL HA H 30 4.441 4.067 0.374 1
1 357 . 11 1 1 A 30 30 VAL C C 30 173.598 174.437 -0.839 1
1 358 . 11 1 1 A 30 30 VAL CA C 30 59.948 60.593 -0.645 1
1 359 . 11 1 1 A 30 30 VAL CB C 30 31.067 31.093 -0.026 1
1 362 . 11 1 1 A 30 30 VAL N N 30 106.791 109.760 -2.969 1
1 363 . 11 1 1 A 31 31 CYS H H 31 7.837 8.002 -0.165 1
1 364 . 11 1 1 A 31 31 CYS HA H 31 3.929 4.112 -0.183 1
1 367 . 11 1 1 A 31 31 CYS C C 31 173.679 173.203 0.476 1
1 368 . 11 1 1 A 31 31 CYS CA C 31 59.814 60.418 -0.604 1
1 369 . 11 1 1 A 31 31 CYS CB C 31 24.898 25.996 -1.098 1
1 370 . 11 1 1 A 31 31 CYS N N 31 116.363 117.210 -0.847 1
1 371 . 11 1 1 A 32 32 LEU H H 32 8.061 7.869 0.192 1
1 372 . 11 1 1 A 32 32 LEU HA H 32 4.871 4.795 0.076 1
1 382 . 11 1 1 A 32 32 LEU C C 32 176.243 175.083 1.160 1
1 383 . 11 1 1 A 32 32 LEU CA C 32 52.555 53.598 -1.043 1
1 384 . 11 1 1 A 32 32 LEU CB C 32 48.238 45.672 2.566 1
1 388 . 11 1 1 A 32 32 LEU N N 32 118.159 120.285 -2.126 1
1 389 . 11 1 1 A 33 33 SER H H 33 8.221 8.663 -0.442 1
1 390 . 11 1 1 A 33 33 SER N N 33 116.259 119.479 -3.220 1
1 391 . 11 1 1 A 34 34 PRO HA H 34 3.951 4.348 -0.397 1
1 398 . 11 1 1 A 34 34 PRO C C 34 178.473 179.009 -0.536 1
1 399 . 11 1 1 A 34 34 PRO CA C 34 66.404 64.984 1.420 1
1 400 . 11 1 1 A 34 34 PRO CB C 34 31.712 31.999 -0.287 1
1 403 . 11 1 1 A 35 35 SER H H 35 8.343 8.268 0.075 1
1 404 . 11 1 1 A 35 35 SER HA H 35 4.192 4.211 -0.019 1
1 406 . 11 1 1 A 35 35 SER C C 35 177.361 175.951 1.410 1
1 407 . 11 1 1 A 35 35 SER CA C 35 61.358 61.764 -0.406 1
1 408 . 11 1 1 A 35 35 SER CB C 35 62.140 62.669 -0.529 1
1 409 . 11 1 1 A 35 35 SER N N 35 111.653 114.289 -2.636 1
1 410 . 11 1 1 A 36 36 ARG H H 36 7.868 7.889 -0.021 1
1 411 . 11 1 1 A 36 36 ARG HA H 36 4.243 4.152 0.091 1
1 418 . 11 1 1 A 36 36 ARG C C 36 178.850 178.439 0.411 1
1 419 . 11 1 1 A 36 36 ARG CA C 36 58.714 59.194 -0.480 1
1 420 . 11 1 1 A 36 36 ARG CB C 36 29.804 29.950 -0.146 1
1 423 . 11 1 1 A 36 36 ARG N N 36 124.303 121.557 2.746 1
1 424 . 11 1 1 A 37 37 LEU H H 37 8.593 7.612 0.981 1
1 425 . 11 1 1 A 37 37 LEU HA H 37 4.052 4.130 -0.078 1
1 435 . 11 1 1 A 37 37 LEU C C 37 177.894 178.485 -0.591 1
1 436 . 11 1 1 A 37 37 LEU CA C 37 58.289 58.540 -0.251 1
1 437 . 11 1 1 A 37 37 LEU CB C 37 40.775 42.144 -1.369 1
1 441 . 11 1 1 A 37 37 LEU N N 37 119.319 121.481 -2.162 1
1 442 . 11 1 1 A 38 38 SER H H 38 8.478 8.429 0.049 1
1 443 . 11 1 1 A 38 38 SER HA H 38 4.066 4.286 -0.220 1
1 444 . 11 1 1 A 38 38 SER C C 38 176.577 176.845 -0.268 1
1 445 . 11 1 1 A 38 38 SER CA C 38 62.824 60.495 2.329 1
1 446 . 11 1 1 A 38 38 SER N N 38 113.612 115.078 -1.466 1
1 447 . 11 1 1 A 39 39 HIS H H 39 7.983 7.871 0.112 1
1 448 . 11 1 1 A 39 39 HIS HA H 39 4.403 4.275 0.128 1
1 453 . 11 1 1 A 39 39 HIS C C 39 177.138 176.871 0.267 1
1 454 . 11 1 1 A 39 39 HIS CA C 39 59.316 60.048 -0.732 1
1 455 . 11 1 1 A 39 39 HIS CB C 39 29.226 30.202 -0.976 1
1 458 . 11 1 1 A 39 39 HIS N N 39 119.938 121.629 -1.691 1
1 459 . 11 1 1 A 40 40 LEU H H 40 8.432 8.191 0.241 1
1 460 . 11 1 1 A 40 40 LEU HA H 40 4.045 4.022 0.023 1
1 470 . 11 1 1 A 40 40 LEU C C 40 178.876 179.152 -0.276 1
1 471 . 11 1 1 A 40 40 LEU CA C 40 57.990 57.861 0.129 1
1 472 . 11 1 1 A 40 40 LEU CB C 40 42.609 41.920 0.689 1
1 476 . 11 1 1 A 40 40 LEU N N 40 120.053 118.880 1.173 1
1 477 . 11 1 1 A 41 41 PHE H H 41 8.937 8.810 0.127 1
1 478 . 11 1 1 A 41 41 PHE HA H 41 3.736 3.933 -0.197 1
1 486 . 11 1 1 A 41 41 PHE C C 41 178.022 177.769 0.253 1
1 487 . 11 1 1 A 41 41 PHE CA C 41 62.523 61.769 0.754 1
1 488 . 11 1 1 A 41 41 PHE CB C 41 39.534 39.106 0.428 1
1 494 . 11 1 1 A 41 41 PHE N N 41 120.491 119.741 0.750 1
1 495 . 11 1 1 A 42 42 ARG H H 42 8.009 8.373 -0.364 1
1 496 . 11 1 1 A 42 42 ARG HA H 42 4.021 4.424 -0.403 1
1 502 . 11 1 1 A 42 42 ARG C C 42 179.850 178.505 1.345 1
1 503 . 11 1 1 A 42 42 ARG CA C 42 59.243 59.354 -0.111 1
1 504 . 11 1 1 A 42 42 ARG CB C 42 29.748 29.839 -0.091 1
1 507 . 11 1 1 A 42 42 ARG N N 42 117.688 118.062 -0.374 1
1 508 . 11 1 1 A 43 43 GLN H H 43 8.286 7.477 0.809 1
1 509 . 11 1 1 A 43 43 GLN HA H 43 4.006 3.971 0.035 1
1 516 . 11 1 1 A 43 43 GLN C C 43 177.917 178.214 -0.297 1
1 517 . 11 1 1 A 43 43 GLN CA C 43 58.715 58.892 -0.177 1
1 518 . 11 1 1 A 43 43 GLN CB C 43 29.345 28.656 0.689 1
1 521 . 11 1 1 A 43 43 GLN N N 43 118.179 119.537 -1.358 1
1 523 . 11 1 1 A 44 44 GLN H H 44 8.296 8.128 0.168 1
1 524 . 11 1 1 A 44 44 GLN HA H 44 4.208 4.089 0.119 1
1 531 . 11 1 1 A 44 44 GLN C C 44 177.314 177.330 -0.016 1
1 532 . 11 1 1 A 44 44 GLN CA C 44 57.913 58.096 -0.183 1
1 533 . 11 1 1 A 44 44 GLN CB C 44 29.027 28.536 0.491 1
1 536 . 11 1 1 A 44 44 GLN N N 44 114.928 118.020 -3.092 1
1 538 . 11 1 1 A 45 45 LEU H H 45 8.463 8.176 0.287 1
1 539 . 11 1 1 A 45 45 LEU HA H 45 4.567 4.308 0.259 1
1 549 . 11 1 1 A 45 45 LEU C C 45 178.381 177.296 1.085 1
1 550 . 11 1 1 A 45 45 LEU CA C 45 54.564 55.124 -0.560 1
1 551 . 11 1 1 A 45 45 LEU CB C 45 43.031 42.508 0.523 1
1 555 . 11 1 1 A 45 45 LEU N N 45 117.028 117.587 -0.559 1
1 556 . 11 1 1 A 46 46 GLY H H 46 7.852 8.897 -1.045 1
1 557 . 11 1 1 A 46 46 GLY HA2 H 46 4.005 3.877 0.128 1
1 558 . 11 1 1 A 46 46 GLY HA3 H 46 4.167 3.889 0.278 1
1 559 . 11 1 1 A 46 46 GLY C C 46 173.114 173.488 -0.374 1
1 560 . 11 1 1 A 46 46 GLY CA C 46 46.080 45.986 0.094 1
1 561 . 11 1 1 A 46 46 GLY N N 46 108.569 108.389 0.180 1
1 562 . 11 1 1 A 47 47 ILE H H 47 7.281 7.566 -0.285 1
1 563 . 11 1 1 A 47 47 ILE HA H 47 4.735 4.895 -0.160 1
1 573 . 11 1 1 A 47 47 ILE C C 47 172.231 174.580 -2.349 1
1 574 . 11 1 1 A 47 47 ILE CA C 47 59.240 58.828 0.412 1
1 575 . 11 1 1 A 47 47 ILE CB C 47 42.470 42.096 0.374 1
1 579 . 11 1 1 A 47 47 ILE N N 47 115.396 115.897 -0.501 1
1 580 . 11 1 1 A 48 48 SER H H 48 8.298 8.716 -0.418 1
1 581 . 11 1 1 A 48 48 SER HA H 48 4.725 4.709 0.016 1
1 584 . 11 1 1 A 48 48 SER C C 48 174.600 175.746 -1.146 1
1 585 . 11 1 1 A 48 48 SER CA C 48 57.092 58.231 -1.139 1
1 586 . 11 1 1 A 48 48 SER CB C 48 65.286 63.876 1.410 1
1 587 . 11 1 1 A 48 48 SER N N 48 115.685 118.731 -3.046 1
1 588 . 11 1 1 A 49 49 VAL H H 49 8.296 8.800 -0.504 1
1 589 . 11 1 1 A 49 49 VAL HA H 49 3.081 3.765 -0.684 1
1 597 . 11 1 1 A 49 49 VAL C C 49 177.888 177.773 0.115 1
1 598 . 11 1 1 A 49 49 VAL CA C 49 65.881 67.502 -1.621 1
1 599 . 11 1 1 A 49 49 VAL CB C 49 31.149 31.516 -0.367 1
1 602 . 11 1 1 A 49 49 VAL N N 49 120.175 127.145 -6.970 1
1 603 . 11 1 1 A 50 50 LEU H H 50 8.138 8.371 -0.233 1
1 604 . 11 1 1 A 50 50 LEU HA H 50 4.011 4.083 -0.072 1
1 614 . 11 1 1 A 50 50 LEU C C 50 180.412 179.222 1.190 1
1 615 . 11 1 1 A 50 50 LEU CA C 50 57.962 57.983 -0.021 1
1 616 . 11 1 1 A 50 50 LEU CB C 50 41.224 41.773 -0.549 1
1 620 . 11 1 1 A 50 50 LEU N N 50 116.998 120.424 -3.426 1
1 621 . 11 1 1 A 51 51 SER H H 51 8.087 8.161 -0.074 1
1 622 . 11 1 1 A 51 51 SER HA H 51 4.279 4.208 0.071 1
1 624 . 11 1 1 A 51 51 SER C C 51 176.081 175.998 0.083 1
1 625 . 11 1 1 A 51 51 SER CA C 51 62.174 62.701 -0.527 1
1 626 . 11 1 1 A 51 51 SER N N 51 117.207 116.384 0.823 1
1 627 . 11 1 1 A 52 52 TRP H H 52 8.913 8.351 0.562 1
1 628 . 11 1 1 A 52 52 TRP HA H 52 4.067 4.252 -0.185 1
1 637 . 11 1 1 A 52 52 TRP C C 52 178.579 178.061 0.518 1
1 638 . 11 1 1 A 52 52 TRP CA C 52 63.288 61.100 2.188 1
1 639 . 11 1 1 A 52 52 TRP CB C 52 29.159 29.903 -0.744 1
1 645 . 11 1 1 A 52 52 TRP N N 52 124.958 124.256 0.702 1
1 647 . 11 1 1 A 53 53 ARG H H 53 8.547 8.601 -0.054 1
1 648 . 11 1 1 A 53 53 ARG HA H 53 3.578 3.653 -0.075 1
1 654 . 11 1 1 A 53 53 ARG C C 53 177.290 178.817 -1.527 1
1 655 . 11 1 1 A 53 53 ARG CA C 53 60.443 59.574 0.869 1
1 656 . 11 1 1 A 53 53 ARG CB C 53 30.001 29.898 0.103 1
1 659 . 11 1 1 A 53 53 ARG N N 53 118.356 119.055 -0.699 1
1 660 . 11 1 1 A 54 54 GLU H H 54 8.002 7.669 0.333 1
1 661 . 11 1 1 A 54 54 GLU HA H 54 4.016 4.089 -0.073 1
1 666 . 11 1 1 A 54 54 GLU C C 54 178.460 178.203 0.257 1
1 667 . 11 1 1 A 54 54 GLU CA C 54 59.982 59.584 0.398 1
1 668 . 11 1 1 A 54 54 GLU CB C 54 29.759 29.155 0.604 1
1 670 . 11 1 1 A 54 54 GLU N N 54 118.818 119.059 -0.241 1
1 671 . 11 1 1 A 55 55 ASP H H 55 8.111 8.482 -0.371 1
1 672 . 11 1 1 A 55 55 ASP HA H 55 4.289 4.265 0.024 1
1 675 . 11 1 1 A 55 55 ASP C C 55 179.313 178.093 1.220 1
1 676 . 11 1 1 A 55 55 ASP CA C 55 57.131 57.802 -0.671 1
1 677 . 11 1 1 A 55 55 ASP CB C 55 40.227 42.193 -1.966 1
1 678 . 11 1 1 A 55 55 ASP N N 55 119.156 120.054 -0.898 1
1 679 . 11 1 1 A 56 56 GLN H H 56 8.099 7.421 0.678 1
1 680 . 11 1 1 A 56 56 GLN HA H 56 3.781 3.817 -0.036 1
1 687 . 11 1 1 A 56 56 GLN C C 56 178.700 178.491 0.209 1
1 688 . 11 1 1 A 56 56 GLN CA C 56 57.487 58.590 -1.103 1
1 689 . 11 1 1 A 56 56 GLN CB C 56 27.430 27.689 -0.259 1
1 692 . 11 1 1 A 56 56 GLN N N 56 119.807 118.067 1.740 1
1 694 . 11 1 1 A 57 57 ARG H H 57 8.240 7.580 0.660 1
1 695 . 11 1 1 A 57 57 ARG HA H 57 3.898 4.027 -0.129 1
1 702 . 11 1 1 A 57 57 ARG C C 57 178.185 178.462 -0.277 1
1 703 . 11 1 1 A 57 57 ARG CA C 57 60.671 58.986 1.685 1
1 704 . 11 1 1 A 57 57 ARG CB C 57 31.221 29.718 1.503 1
1 707 . 11 1 1 A 57 57 ARG N N 57 120.129 119.405 0.724 1
1 708 . 11 1 1 A 58 58 ILE H H 58 7.885 7.717 0.168 1
1 709 . 11 1 1 A 58 58 ILE HA H 58 3.978 3.809 0.169 1
1 719 . 11 1 1 A 58 58 ILE C C 58 178.357 178.339 0.018 1
1 720 . 11 1 1 A 58 58 ILE CA C 58 61.684 65.283 -3.599 1
1 721 . 11 1 1 A 58 58 ILE CB C 58 34.538 37.611 -3.073 1
1 725 . 11 1 1 A 58 58 ILE N N 58 118.096 121.388 -3.292 1
1 726 . 11 1 1 A 59 59 SER H H 59 8.563 7.748 0.815 1
1 727 . 11 1 1 A 59 59 SER HA H 59 4.010 4.174 -0.164 1
1 728 . 11 1 1 A 59 59 SER C C 59 177.731 177.270 0.461 1
1 729 . 11 1 1 A 59 59 SER CA C 59 62.459 61.187 1.272 1
1 730 . 11 1 1 A 59 59 SER N N 59 117.208 115.960 1.248 1
1 731 . 11 1 1 A 60 60 GLN H H 60 8.471 8.192 0.279 1
1 732 . 11 1 1 A 60 60 GLN HA H 60 4.228 4.018 0.210 1
1 739 . 11 1 1 A 60 60 GLN C C 60 177.958 177.704 0.254 1
1 740 . 11 1 1 A 60 60 GLN CA C 60 58.233 58.468 -0.235 1
1 741 . 11 1 1 A 60 60 GLN CB C 60 27.288 28.751 -1.463 1
1 744 . 11 1 1 A 60 60 GLN N N 60 121.780 120.750 1.030 1
1 746 . 11 1 1 A 61 61 ALA H H 61 8.504 8.209 0.295 1
1 747 . 11 1 1 A 61 61 ALA HA H 61 3.947 3.938 0.009 1
1 751 . 11 1 1 A 61 61 ALA C C 61 179.360 179.736 -0.376 1
1 752 . 11 1 1 A 61 61 ALA CA C 61 55.413 54.883 0.530 1
1 753 . 11 1 1 A 61 61 ALA CB C 61 18.124 18.302 -0.178 1
1 754 . 11 1 1 A 61 61 ALA N N 61 122.352 122.014 0.338 1
1 755 . 11 1 1 A 62 62 LYS H H 62 8.776 7.729 1.047 1
1 756 . 11 1 1 A 62 62 LYS HA H 62 3.722 4.048 -0.326 1
1 765 . 11 1 1 A 62 62 LYS C C 62 179.330 179.350 -0.020 1
1 766 . 11 1 1 A 62 62 LYS CA C 62 60.632 59.339 1.293 1
1 767 . 11 1 1 A 62 62 LYS CB C 62 32.580 32.736 -0.156 1
1 771 . 11 1 1 A 62 62 LYS N N 62 117.072 117.616 -0.544 1
1 772 . 11 1 1 A 63 63 LEU H H 63 7.670 7.450 0.220 1
1 773 . 11 1 1 A 63 63 LEU HA H 63 4.233 4.050 0.183 1
1 783 . 11 1 1 A 63 63 LEU C C 63 180.902 178.635 2.267 1
1 784 . 11 1 1 A 63 63 LEU CA C 63 58.446 58.056 0.390 1
1 785 . 11 1 1 A 63 63 LEU CB C 63 41.598 41.443 0.155 1
1 789 . 11 1 1 A 63 63 LEU N N 63 121.196 121.716 -0.520 1
1 790 . 11 1 1 A 64 64 LEU H H 64 8.585 7.700 0.885 1
1 791 . 11 1 1 A 64 64 LEU HA H 64 4.088 4.052 0.036 1
1 801 . 11 1 1 A 64 64 LEU C C 64 180.869 178.933 1.936 1
1 802 . 11 1 1 A 64 64 LEU CA C 64 57.782 57.656 0.126 1
1 803 . 11 1 1 A 64 64 LEU CB C 64 42.760 41.386 1.374 1
1 807 . 11 1 1 A 64 64 LEU N N 64 121.842 118.307 3.535 1
1 808 . 11 1 1 A 65 65 LEU H H 65 9.100 8.445 0.655 1
1 809 . 11 1 1 A 65 65 LEU HA H 65 4.346 4.089 0.257 1
1 819 . 11 1 1 A 65 65 LEU C C 65 178.659 178.356 0.303 1
1 820 . 11 1 1 A 65 65 LEU CA C 65 57.408 57.395 0.013 1
1 821 . 11 1 1 A 65 65 LEU CB C 65 43.013 40.885 2.128 1
1 825 . 11 1 1 A 65 65 LEU N N 65 119.872 118.948 0.924 1
1 826 . 11 1 1 A 66 66 SER H H 66 8.303 8.030 0.273 1
1 827 . 11 1 1 A 66 66 SER HA H 66 4.211 4.415 -0.204 1
1 829 . 11 1 1 A 66 66 SER C C 66 176.580 175.407 1.173 1
1 830 . 11 1 1 A 66 66 SER CA C 66 60.155 60.851 -0.696 1
1 831 . 11 1 1 A 66 66 SER CB C 66 65.198 63.636 1.562 1
1 832 . 11 1 1 A 66 66 SER N N 66 110.490 115.312 -4.822 1
1 833 . 11 1 1 A 67 67 THR H H 67 7.901 7.774 0.127 1
1 834 . 11 1 1 A 67 67 THR HA H 67 4.812 4.341 0.471 1
1 839 . 11 1 1 A 67 67 THR C C 67 174.240 174.336 -0.096 1
1 840 . 11 1 1 A 67 67 THR CA C 67 62.400 63.603 -1.203 1
1 841 . 11 1 1 A 67 67 THR CB C 67 71.512 69.597 1.915 1
1 843 . 11 1 1 A 67 67 THR N N 67 108.414 114.791 -6.377 1
1 844 . 11 1 1 A 68 68 THR H H 68 7.507 7.709 -0.202 1
1 845 . 11 1 1 A 68 68 THR HA H 68 5.096 4.789 0.307 1
1 850 . 11 1 1 A 68 68 THR C C 68 174.263 174.069 0.194 1
1 851 . 11 1 1 A 68 68 THR CA C 68 60.124 59.599 0.525 1
1 852 . 11 1 1 A 68 68 THR CB C 68 72.795 72.202 0.593 1
1 854 . 11 1 1 A 68 68 THR N N 68 111.673 110.609 1.064 1
1 855 . 11 1 1 A 69 69 ARG H H 69 8.767 8.336 0.431 1
1 856 . 11 1 1 A 69 69 ARG HA H 69 4.422 4.624 -0.202 1
1 863 . 11 1 1 A 69 69 ARG C C 69 176.568 176.483 0.085 1
1 864 . 11 1 1 A 69 69 ARG CA C 69 53.692 55.104 -1.412 1
1 865 . 11 1 1 A 69 69 ARG CB C 69 28.814 30.462 -1.648 1
1 868 . 11 1 1 A 69 69 ARG N N 69 118.034 119.698 -1.664 1
1 869 . 11 1 1 A 70 70 MET H H 70 7.996 7.157 0.839 1
1 870 . 11 1 1 A 70 70 MET HA H 70 4.470 4.510 -0.040 1
1 878 . 11 1 1 A 70 70 MET CA C 70 55.386 55.263 0.123 1
1 879 . 11 1 1 A 70 70 MET CB C 70 34.080 32.425 1.655 1
1 882 . 11 1 1 A 70 70 MET N N 70 122.491 121.297 1.194 1
1 883 . 11 1 1 A 71 71 PRO HA H 71 4.574 4.512 0.062 1
1 890 . 11 1 1 A 71 71 PRO C C 71 177.204 177.142 0.062 1
1 891 . 11 1 1 A 71 71 PRO CA C 71 62.915 62.416 0.499 1
1 892 . 11 1 1 A 71 71 PRO CB C 71 32.380 32.956 -0.576 1
1 895 . 11 1 1 A 72 72 ILE H H 72 8.782 8.388 0.394 1
1 896 . 11 1 1 A 72 72 ILE HA H 72 3.407 3.780 -0.373 1
1 906 . 11 1 1 A 72 72 ILE C C 72 177.760 178.164 -0.404 1
1 907 . 11 1 1 A 72 72 ILE CA C 72 65.627 64.541 1.086 1
1 908 . 11 1 1 A 72 72 ILE CB C 72 36.771 37.658 -0.887 1
1 912 . 11 1 1 A 72 72 ILE N N 72 124.417 122.188 2.229 1
1 913 . 11 1 1 A 73 73 ALA H H 73 9.109 8.108 1.001 1
1 914 . 11 1 1 A 73 73 ALA HA H 73 3.974 4.061 -0.087 1
1 918 . 11 1 1 A 73 73 ALA C C 73 180.248 179.694 0.554 1
1 919 . 11 1 1 A 73 73 ALA CA C 73 55.232 55.245 -0.013 1
1 920 . 11 1 1 A 73 73 ALA CB C 73 18.338 18.284 0.054 1
1 921 . 11 1 1 A 73 73 ALA N N 73 119.077 123.743 -4.666 1
1 922 . 11 1 1 A 74 74 THR H H 74 7.112 8.005 -0.893 1
1 923 . 11 1 1 A 74 74 THR HA H 74 3.875 3.948 -0.073 1
1 928 . 11 1 1 A 74 74 THR C C 74 175.761 176.396 -0.635 1
1 929 . 11 1 1 A 74 74 THR CA C 74 65.841 66.634 -0.793 1
1 930 . 11 1 1 A 74 74 THR CB C 74 68.248 67.929 0.319 1
1 932 . 11 1 1 A 74 74 THR N N 74 114.866 114.931 -0.065 1
1 933 . 11 1 1 A 75 75 VAL H H 75 8.087 8.039 0.048 1
1 934 . 11 1 1 A 75 75 VAL HA H 75 3.305 3.480 -0.175 1
1 942 . 11 1 1 A 75 75 VAL C C 75 177.048 177.425 -0.377 1
1 943 . 11 1 1 A 75 75 VAL CA C 75 67.681 66.409 1.272 1
1 944 . 11 1 1 A 75 75 VAL CB C 75 30.831 31.158 -0.327 1
1 947 . 11 1 1 A 75 75 VAL N N 75 123.901 121.436 2.465 1
1 948 . 11 1 1 A 76 76 GLY H H 76 7.673 7.921 -0.248 1
1 949 . 11 1 1 A 76 76 GLY HA2 H 76 2.235 3.310 -1.075 1
1 950 . 11 1 1 A 76 76 GLY HA3 H 76 3.003 3.651 -0.648 1
1 951 . 11 1 1 A 76 76 GLY C C 76 176.562 175.742 0.820 1
1 952 . 11 1 1 A 76 76 GLY CA C 76 46.293 46.916 -0.623 1
1 953 . 11 1 1 A 76 76 GLY N N 76 102.438 107.394 -4.956 1
1 954 . 11 1 1 A 77 77 ARG H H 77 7.760 7.716 0.044 1
1 955 . 11 1 1 A 77 77 ARG HA H 77 3.982 4.000 -0.018 1
1 962 . 11 1 1 A 77 77 ARG C C 77 180.332 178.687 1.645 1
1 963 . 11 1 1 A 77 77 ARG CA C 77 59.550 59.209 0.341 1
1 964 . 11 1 1 A 77 77 ARG CB C 77 30.085 29.979 0.106 1
1 967 . 11 1 1 A 77 77 ARG N N 77 122.228 121.718 0.510 1
1 968 . 11 1 1 A 78 78 ASN H H 78 8.230 7.807 0.423 1
1 969 . 11 1 1 A 78 78 ASN HA H 78 4.397 4.489 -0.092 1
1 974 . 11 1 1 A 78 78 ASN C C 78 176.105 176.971 -0.866 1
1 975 . 11 1 1 A 78 78 ASN CA C 78 55.615 55.818 -0.203 1
1 976 . 11 1 1 A 78 78 ASN CB C 78 38.806 38.638 0.168 1
1 978 . 11 1 1 A 78 78 ASN N N 78 119.139 117.974 1.165 1
1 980 . 11 1 1 A 79 79 VAL H H 79 7.323 7.206 0.117 1
1 981 . 11 1 1 A 79 79 VAL HA H 79 4.438 4.395 0.043 1
1 989 . 11 1 1 A 79 79 VAL C C 79 174.220 175.819 -1.599 1
1 990 . 11 1 1 A 79 79 VAL CA C 79 59.911 60.653 -0.742 1
1 991 . 11 1 1 A 79 79 VAL CB C 79 31.400 30.944 0.456 1
1 994 . 11 1 1 A 79 79 VAL N N 79 108.664 111.106 -2.442 1
1 995 . 11 1 1 A 80 80 GLY H H 80 7.286 7.843 -0.557 1
1 996 . 11 1 1 A 80 80 GLY HA2 H 80 3.540 3.980 -0.440 1
1 997 . 11 1 1 A 80 80 GLY HA3 H 80 4.023 4.022 0.001 1
1 998 . 11 1 1 A 80 80 GLY C C 80 174.383 174.707 -0.324 1
1 999 . 11 1 1 A 80 80 GLY CA C 80 45.739 45.968 -0.229 1
1 1000 . 11 1 1 A 80 80 GLY N N 80 104.635 110.112 -5.477 1
1 1001 . 11 1 1 A 81 81 PHE H H 81 8.535 8.223 0.312 1
1 1002 . 11 1 1 A 81 81 PHE HA H 81 4.845 4.495 0.350 1
1 1010 . 11 1 1 A 81 81 PHE C C 81 174.570 175.648 -1.078 1
1 1011 . 11 1 1 A 81 81 PHE CA C 81 56.375 58.884 -2.509 1
1 1012 . 11 1 1 A 81 81 PHE CB C 81 39.941 38.790 1.151 1
1 1018 . 11 1 1 A 81 81 PHE N N 81 119.772 119.509 0.263 1
1 1019 . 11 1 1 A 82 82 ASP H H 82 8.564 8.972 -0.408 1
1 1020 . 11 1 1 A 82 82 ASP HA H 82 4.491 4.671 -0.180 1
1 1023 . 11 1 1 A 82 82 ASP C C 82 175.170 175.646 -0.476 1
1 1024 . 11 1 1 A 82 82 ASP CA C 82 55.195 56.393 -1.198 1
1 1025 . 11 1 1 A 82 82 ASP CB C 82 41.010 42.236 -1.226 1
1 1026 . 11 1 1 A 82 82 ASP N N 82 123.028 124.742 -1.714 1
1 1027 . 11 1 1 A 83 83 ASP H H 83 7.789 7.956 -0.167 1
1 1028 . 11 1 1 A 83 83 ASP HA H 83 4.947 4.832 0.115 1
1 1031 . 11 1 1 A 83 83 ASP C C 83 176.347 176.946 -0.599 1
1 1032 . 11 1 1 A 83 83 ASP CA C 83 52.690 53.568 -0.878 1
1 1033 . 11 1 1 A 83 83 ASP CB C 83 43.152 42.188 0.964 1
1 1034 . 11 1 1 A 83 83 ASP N N 83 118.576 119.211 -0.635 1
1 1035 . 11 1 1 A 84 84 GLN H H 84 9.104 8.777 0.327 1
1 1036 . 11 1 1 A 84 84 GLN HA H 84 4.333 4.179 0.154 1
1 1043 . 11 1 1 A 84 84 GLN C C 84 177.986 178.191 -0.205 1
1 1044 . 11 1 1 A 84 84 GLN CA C 84 58.909 58.928 -0.019 1
1 1045 . 11 1 1 A 84 84 GLN CB C 84 28.267 27.878 0.389 1
1 1048 . 11 1 1 A 84 84 GLN N N 84 126.543 125.468 1.075 1
1 1050 . 11 1 1 A 85 85 LEU H H 85 8.419 8.061 0.358 1
1 1051 . 11 1 1 A 85 85 LEU HA H 85 4.210 4.272 -0.062 1
1 1061 . 11 1 1 A 85 85 LEU C C 85 179.472 178.987 0.485 1
1 1062 . 11 1 1 A 85 85 LEU CA C 85 57.958 57.760 0.198 1
1 1063 . 11 1 1 A 85 85 LEU CB C 85 40.678 41.594 -0.916 1
1 1067 . 11 1 1 A 85 85 LEU N N 85 123.486 121.689 1.797 1
1 1068 . 11 1 1 A 86 86 TYR H H 86 8.042 8.532 -0.490 1
1 1069 . 11 1 1 A 86 86 TYR HA H 86 4.288 4.155 0.133 1
1 1076 . 11 1 1 A 86 86 TYR C C 86 177.195 177.496 -0.301 1
1 1077 . 11 1 1 A 86 86 TYR CA C 86 60.367 61.837 -1.470 1
1 1078 . 11 1 1 A 86 86 TYR CB C 86 38.184 38.387 -0.203 1
1 1083 . 11 1 1 A 86 86 TYR N N 86 122.679 120.274 2.405 1
1 1084 . 11 1 1 A 87 87 PHE H H 87 8.219 8.133 0.086 1
1 1085 . 11 1 1 A 87 87 PHE HA H 87 3.261 4.029 -0.768 1
1 1093 . 11 1 1 A 87 87 PHE C C 87 175.875 177.816 -1.941 1
1 1094 . 11 1 1 A 87 87 PHE CA C 87 58.536 61.963 -3.427 1
1 1095 . 11 1 1 A 87 87 PHE CB C 87 38.124 39.283 -1.159 1
1 1101 . 11 1 1 A 87 87 PHE N N 87 116.536 119.620 -3.084 1
1 1102 . 11 1 1 A 88 88 SER H H 88 8.082 8.245 -0.163 1
1 1103 . 11 1 1 A 88 88 SER HA H 88 3.951 3.960 -0.009 1
1 1105 . 11 1 1 A 88 88 SER C C 88 175.926 177.147 -1.221 1
1 1106 . 11 1 1 A 88 88 SER CA C 88 62.398 61.565 0.833 1
1 1107 . 11 1 1 A 88 88 SER N N 88 112.937 113.618 -0.681 1
1 1108 . 11 1 1 A 89 89 ARG H H 89 7.843 8.200 -0.357 1
1 1109 . 11 1 1 A 89 89 ARG HA H 89 3.975 4.117 -0.142 1
1 1116 . 11 1 1 A 89 89 ARG C C 89 179.414 179.288 0.126 1
1 1117 . 11 1 1 A 89 89 ARG CA C 89 59.452 59.277 0.175 1
1 1118 . 11 1 1 A 89 89 ARG CB C 89 30.242 30.157 0.085 1
1 1121 . 11 1 1 A 89 89 ARG N N 89 121.621 122.328 -0.707 1
1 1122 . 11 1 1 A 90 90 VAL H H 90 8.235 8.169 0.066 1
1 1123 . 11 1 1 A 90 90 VAL HA H 90 3.530 3.749 -0.219 1
1 1131 . 11 1 1 A 90 90 VAL C C 90 177.752 177.718 0.034 1
1 1132 . 11 1 1 A 90 90 VAL CA C 90 66.208 64.980 1.228 1
1 1133 . 11 1 1 A 90 90 VAL CB C 90 31.649 31.470 0.179 1
1 1136 . 11 1 1 A 90 90 VAL N N 90 122.095 119.530 2.565 1
1 1137 . 11 1 1 A 91 91 PHE H H 91 8.763 8.537 0.226 1
1 1138 . 11 1 1 A 91 91 PHE HA H 91 3.584 3.851 -0.267 1
1 1141 . 11 1 1 A 91 91 PHE C C 91 178.386 177.160 1.226 1
1 1142 . 11 1 1 A 91 91 PHE CA C 91 62.523 60.719 1.804 1
1 1143 . 11 1 1 A 91 91 PHE CB C 91 39.528 38.475 1.053 1
1 1144 . 11 1 1 A 91 91 PHE N N 91 121.769 121.870 -0.101 1
1 1145 . 11 1 1 A 92 92 LYS H H 92 8.237 8.478 -0.241 1
1 1146 . 11 1 1 A 92 92 LYS HA H 92 4.217 4.319 -0.102 1
1 1153 . 11 1 1 A 92 92 LYS C C 92 179.621 179.425 0.196 1
1 1154 . 11 1 1 A 92 92 LYS CA C 92 58.597 60.089 -1.492 1
1 1155 . 11 1 1 A 92 92 LYS CB C 92 32.290 32.644 -0.354 1
1 1159 . 11 1 1 A 92 92 LYS N N 92 121.441 118.388 3.053 1
1 1160 . 11 1 1 A 93 93 LYS H H 93 8.013 7.632 0.381 1
1 1161 . 11 1 1 A 93 93 LYS HA H 93 3.956 4.076 -0.120 1
1 1169 . 11 1 1 A 93 93 LYS C C 93 178.611 179.385 -0.774 1
1 1170 . 11 1 1 A 93 93 LYS CA C 93 59.356 58.998 0.358 1
1 1171 . 11 1 1 A 93 93 LYS CB C 93 31.785 31.746 0.039 1
1 1175 . 11 1 1 A 93 93 LYS N N 93 122.286 118.302 3.984 1
1 1176 . 11 1 1 A 94 94 CYS H H 94 7.818 7.740 0.078 1
1 1177 . 11 1 1 A 94 94 CYS HA H 94 4.224 3.901 0.323 1
1 1180 . 11 1 1 A 94 94 CYS C C 94 176.440 175.747 0.693 1
1 1181 . 11 1 1 A 94 94 CYS CA C 94 62.517 62.395 0.122 1
1 1182 . 11 1 1 A 94 94 CYS CB C 94 28.104 26.177 1.927 1
1 1183 . 11 1 1 A 94 94 CYS N N 94 113.581 118.888 -5.307 1
1 1184 . 11 1 1 A 95 95 THR H H 95 8.038 7.109 0.929 1
1 1185 . 11 1 1 A 95 95 THR HA H 95 4.397 4.343 0.054 1
1 1190 . 11 1 1 A 95 95 THR C C 95 176.237 175.709 0.528 1
1 1191 . 11 1 1 A 95 95 THR CA C 95 62.507 61.688 0.819 1
1 1192 . 11 1 1 A 95 95 THR CB C 95 71.481 70.542 0.939 1
1 1194 . 11 1 1 A 95 95 THR N N 95 106.903 108.380 -1.477 1
1 1195 . 11 1 1 A 96 96 GLY H H 96 8.526 8.746 -0.220 1
1 1196 . 11 1 1 A 96 96 GLY HA2 H 96 3.724 3.851 -0.127 1
1 1197 . 11 1 1 A 96 96 GLY HA3 H 96 4.374 3.853 0.521 1
1 1198 . 11 1 1 A 96 96 GLY C C 96 172.550 173.344 -0.794 1
1 1199 . 11 1 1 A 96 96 GLY CA C 96 45.264 45.213 0.051 1
1 1200 . 11 1 1 A 96 96 GLY N N 96 112.762 111.454 1.308 1
1 1201 . 11 1 1 A 97 97 ALA H H 97 8.560 7.074 1.486 1
1 1202 . 11 1 1 A 97 97 ALA HA H 97 4.841 4.824 0.017 1
1 1206 . 11 1 1 A 97 97 ALA C C 97 175.280 175.613 -0.333 1
1 1207 . 11 1 1 A 97 97 ALA CA C 97 50.176 51.114 -0.938 1
1 1208 . 11 1 1 A 97 97 ALA CB C 97 22.551 22.924 -0.373 1
1 1209 . 11 1 1 A 97 97 ALA N N 97 125.656 120.934 4.722 1
1 1210 . 11 1 1 A 98 98 SER H H 98 8.817 8.857 -0.040 1
1 1211 . 11 1 1 A 98 98 SER HA H 98 4.656 4.644 0.012 1
1 1212 . 11 1 1 A 98 98 SER CA C 98 56.612 57.352 -0.740 1
1 1213 . 11 1 1 A 98 98 SER N N 98 114.919 115.870 -0.951 1
1 1214 . 11 1 1 A 99 99 PRO HA H 99 3.500 4.360 -0.860 1
1 1220 . 11 1 1 A 99 99 PRO C C 99 177.585 178.465 -0.880 1
1 1221 . 11 1 1 A 99 99 PRO CA C 99 66.202 64.695 1.507 1
1 1222 . 11 1 1 A 99 99 PRO CB C 99 32.030 31.807 0.223 1
1 1225 . 11 1 1 A 100 100 SER H H 100 8.254 8.433 -0.179 1
1 1226 . 11 1 1 A 100 100 SER HA H 100 4.029 4.198 -0.169 1
1 1227 . 11 1 1 A 100 100 SER C C 100 177.441 176.324 1.117 1
1 1228 . 11 1 1 A 100 100 SER CA C 100 61.891 61.467 0.424 1
1 1229 . 11 1 1 A 100 100 SER N N 100 111.230 114.476 -3.246 1
1 1230 . 11 1 1 A 101 101 GLU H H 101 7.848 7.943 -0.095 1
1 1231 . 11 1 1 A 101 101 GLU HA H 101 4.021 4.066 -0.045 1
1 1236 . 11 1 1 A 101 101 GLU C C 101 179.288 178.741 0.547 1
1 1237 . 11 1 1 A 101 101 GLU CA C 101 58.822 59.361 -0.539 1
1 1238 . 11 1 1 A 101 101 GLU CB C 101 29.846 29.523 0.323 1
1 1240 . 11 1 1 A 101 101 GLU N N 101 125.150 121.864 3.286 1
1 1241 . 11 1 1 A 102 102 PHE H H 102 8.923 8.099 0.824 1
1 1242 . 11 1 1 A 102 102 PHE HA H 102 4.155 4.167 -0.012 1
1 1245 . 11 1 1 A 102 102 PHE C C 102 178.343 177.584 0.759 1
1 1246 . 11 1 1 A 102 102 PHE CA C 102 61.315 61.689 -0.374 1
1 1247 . 11 1 1 A 102 102 PHE CB C 102 40.083 39.425 0.658 1
1 1248 . 11 1 1 A 102 102 PHE N N 102 121.281 120.696 0.585 1
1 1249 . 11 1 1 A 103 103 ARG H H 103 8.210 8.276 -0.066 1
1 1250 . 11 1 1 A 103 103 ARG HA H 103 3.830 3.894 -0.064 1
1 1257 . 11 1 1 A 103 103 ARG C C 103 177.602 177.951 -0.349 1
1 1258 . 11 1 1 A 103 103 ARG CA C 103 59.235 59.580 -0.345 1
1 1261 . 11 1 1 A 103 103 ARG N N 103 119.223 118.879 0.344 1
1 1262 . 11 1 1 A 104 104 ALA H H 104 7.905 7.242 0.663 1
1 1263 . 11 1 1 A 104 104 ALA HA H 104 4.186 4.205 -0.019 1
1 1267 . 11 1 1 A 104 104 ALA C C 104 179.126 178.009 1.117 1
1 1268 . 11 1 1 A 104 104 ALA CA C 104 54.188 52.779 1.409 1
1 1269 . 11 1 1 A 104 104 ALA CB C 104 18.254 19.581 -1.327 1
1 1270 . 11 1 1 A 104 104 ALA N N 104 120.546 119.708 0.838 1
1 1271 . 11 1 1 A 105 105 GLY H H 105 7.676 7.923 -0.247 1
1 1272 . 11 1 1 A 105 105 GLY HA2 H 105 3.849 3.834 0.015 1
1 1273 . 11 1 1 A 105 105 GLY HA3 H 105 4.052 3.869 0.183 1
1 1274 . 11 1 1 A 105 105 GLY C C 105 174.515 174.141 0.374 1
1 1275 . 11 1 1 A 105 105 GLY CA C 105 45.317 45.214 0.103 1
1 1276 . 11 1 1 A 105 105 GLY N N 105 104.677 106.888 -2.211 1
1 1277 . 11 1 1 A 106 106 CYS H H 106 7.599 7.911 -0.312 1
1 1278 . 11 1 1 A 106 106 CYS HA H 106 4.447 4.454 -0.007 1
1 1281 . 11 1 1 A 106 106 CYS C C 106 173.823 174.899 -1.076 1
1 1282 . 11 1 1 A 106 106 CYS CA C 106 59.123 59.656 -0.533 1
1 1283 . 11 1 1 A 106 106 CYS CB C 106 28.004 28.548 -0.544 1
1 1284 . 11 1 1 A 106 106 CYS N N 106 118.321 120.237 -1.916 1
1 14 . 12 1 1 A 2 2 ASP H H 2 8.989 8.443 0.546 1
1 15 . 12 1 1 A 2 2 ASP HA H 2 4.662 4.637 0.025 1
1 18 . 12 1 1 A 2 2 ASP C C 2 177.024 177.092 -0.068 1
1 19 . 12 1 1 A 2 2 ASP CA C 2 54.092 54.395 -0.303 1
1 20 . 12 1 1 A 2 2 ASP CB C 2 42.743 42.990 -0.247 1
1 21 . 12 1 1 A 2 2 ASP N N 2 126.287 125.319 0.968 1
1 22 . 12 1 1 A 3 3 ASN H H 3 9.165 8.756 0.409 1
1 23 . 12 1 1 A 3 3 ASN HA H 3 4.446 4.347 0.099 1
1 28 . 12 1 1 A 3 3 ASN C C 3 177.306 177.395 -0.089 1
1 29 . 12 1 1 A 3 3 ASN CA C 3 56.355 56.872 -0.517 1
1 30 . 12 1 1 A 3 3 ASN CB C 3 38.382 38.270 0.112 1
1 32 . 12 1 1 A 3 3 ASN N N 3 124.055 123.560 0.495 1
1 34 . 12 1 1 A 4 4 ARG H H 4 9.092 7.825 1.267 1
1 35 . 12 1 1 A 4 4 ARG HA H 4 4.183 4.049 0.134 1
1 42 . 12 1 1 A 4 4 ARG C C 4 178.824 178.329 0.495 1
1 43 . 12 1 1 A 4 4 ARG CA C 4 59.401 59.535 -0.134 1
1 44 . 12 1 1 A 4 4 ARG CB C 4 29.437 30.232 -0.795 1
1 47 . 12 1 1 A 4 4 ARG N N 4 119.970 119.833 0.137 1
1 48 . 12 1 1 A 5 5 VAL H H 5 7.588 8.283 -0.695 1
1 49 . 12 1 1 A 5 5 VAL HA H 5 3.458 3.701 -0.243 1
1 57 . 12 1 1 A 5 5 VAL C C 5 177.573 177.694 -0.121 1
1 58 . 12 1 1 A 5 5 VAL CA C 5 66.543 66.860 -0.317 1
1 59 . 12 1 1 A 5 5 VAL CB C 5 31.294 31.180 0.114 1
1 62 . 12 1 1 A 5 5 VAL N N 5 119.312 120.131 -0.819 1
1 63 . 12 1 1 A 6 6 ARG H H 6 7.920 7.888 0.032 1
1 64 . 12 1 1 A 6 6 ARG HA H 6 3.860 3.921 -0.061 1
1 71 . 12 1 1 A 6 6 ARG C C 6 179.380 179.207 0.173 1
1 72 . 12 1 1 A 6 6 ARG CA C 6 60.197 60.034 0.163 1
1 73 . 12 1 1 A 6 6 ARG CB C 6 29.818 29.760 0.058 1
1 76 . 12 1 1 A 6 6 ARG N N 6 120.863 119.538 1.325 1
1 77 . 12 1 1 A 7 7 GLU H H 7 8.262 7.865 0.397 1
1 78 . 12 1 1 A 7 7 GLU HA H 7 4.241 4.092 0.149 1
1 83 . 12 1 1 A 7 7 GLU C C 7 179.131 179.428 -0.297 1
1 84 . 12 1 1 A 7 7 GLU CA C 7 58.770 59.380 -0.610 1
1 85 . 12 1 1 A 7 7 GLU CB C 7 28.883 29.052 -0.169 1
1 87 . 12 1 1 A 7 7 GLU N N 7 119.166 118.748 0.418 1
1 88 . 12 1 1 A 8 8 ALA H H 8 8.421 8.048 0.373 1
1 89 . 12 1 1 A 8 8 ALA HA H 8 4.046 4.438 -0.392 1
1 93 . 12 1 1 A 8 8 ALA C C 8 179.202 180.003 -0.801 1
1 94 . 12 1 1 A 8 8 ALA CA C 8 55.610 55.319 0.291 1
1 95 . 12 1 1 A 8 8 ALA CB C 8 18.512 18.620 -0.108 1
1 96 . 12 1 1 A 8 8 ALA N N 8 123.947 122.345 1.602 1
1 97 . 12 1 1 A 9 9 CYS H H 9 8.490 8.005 0.485 1
1 98 . 12 1 1 A 9 9 CYS HA H 9 3.767 4.516 -0.749 1
1 101 . 12 1 1 A 9 9 CYS C C 9 176.858 177.548 -0.690 1
1 102 . 12 1 1 A 9 9 CYS CA C 9 64.480 62.607 1.873 1
1 103 . 12 1 1 A 9 9 CYS CB C 9 26.690 27.375 -0.685 1
1 104 . 12 1 1 A 9 9 CYS N N 9 116.232 118.361 -2.129 1
1 105 . 12 1 1 A 10 10 GLN H H 10 8.088 7.842 0.246 1
1 106 . 12 1 1 A 10 10 GLN HA H 10 4.022 4.141 -0.119 1
1 113 . 12 1 1 A 10 10 GLN C C 10 177.140 178.409 -1.269 1
1 114 . 12 1 1 A 10 10 GLN CA C 10 58.804 59.325 -0.521 1
1 115 . 12 1 1 A 10 10 GLN CB C 10 28.299 28.579 -0.280 1
1 118 . 12 1 1 A 10 10 GLN N N 10 120.817 120.016 0.801 1
1 120 . 12 1 1 A 11 11 TYR H H 11 8.367 7.788 0.579 1
1 121 . 12 1 1 A 11 11 TYR HA H 11 4.308 4.124 0.184 1
1 128 . 12 1 1 A 11 11 TYR C C 11 178.986 177.150 1.836 1
1 129 . 12 1 1 A 11 11 TYR CA C 11 61.850 61.426 0.424 1
1 130 . 12 1 1 A 11 11 TYR CB C 11 38.653 38.476 0.177 1
1 135 . 12 1 1 A 11 11 TYR N N 11 120.419 120.710 -0.291 1
1 136 . 12 1 1 A 12 12 ILE H H 12 8.886 8.583 0.303 1
1 137 . 12 1 1 A 12 12 ILE HA H 12 3.700 3.342 0.358 1
1 147 . 12 1 1 A 12 12 ILE C C 12 179.352 178.178 1.174 1
1 148 . 12 1 1 A 12 12 ILE CA C 12 65.621 65.152 0.469 1
1 149 . 12 1 1 A 12 12 ILE CB C 12 38.203 38.076 0.127 1
1 153 . 12 1 1 A 12 12 ILE N N 12 119.720 121.671 -1.951 1
1 154 . 12 1 1 A 13 13 SER H H 13 8.740 8.407 0.333 1
1 155 . 12 1 1 A 13 13 SER HA H 13 4.753 4.003 0.750 1
1 158 . 12 1 1 A 13 13 SER C C 13 176.355 176.511 -0.156 1
1 159 . 12 1 1 A 13 13 SER CA C 13 62.551 61.858 0.693 1
1 160 . 12 1 1 A 13 13 SER CB C 13 62.468 62.915 -0.447 1
1 161 . 12 1 1 A 13 13 SER N N 13 116.217 116.348 -0.131 1
1 162 . 12 1 1 A 14 14 ASP H H 14 8.426 8.192 0.234 1
1 163 . 12 1 1 A 14 14 ASP HA H 14 4.438 4.387 0.051 1
1 166 . 12 1 1 A 14 14 ASP C C 14 176.838 178.081 -1.243 1
1 167 . 12 1 1 A 14 14 ASP CA C 14 55.988 57.334 -1.346 1
1 168 . 12 1 1 A 14 14 ASP CB C 14 40.500 40.306 0.194 1
1 169 . 12 1 1 A 14 14 ASP N N 14 121.201 122.436 -1.235 1
1 170 . 12 1 1 A 15 15 HIS H H 15 7.530 7.736 -0.206 1
1 171 . 12 1 1 A 15 15 HIS HA H 15 4.661 4.585 0.076 1
1 176 . 12 1 1 A 15 15 HIS C C 15 175.451 175.535 -0.084 1
1 177 . 12 1 1 A 15 15 HIS CA C 15 55.320 55.599 -0.279 1
1 178 . 12 1 1 A 15 15 HIS CB C 15 28.275 29.057 -0.782 1
1 181 . 12 1 1 A 15 15 HIS N N 15 116.777 114.915 1.862 1
1 182 . 12 1 1 A 16 16 LEU H H 16 7.271 7.354 -0.083 1
1 183 . 12 1 1 A 16 16 LEU HA H 16 3.812 3.735 0.077 1
1 193 . 12 1 1 A 16 16 LEU C C 16 176.627 178.088 -1.461 1
1 194 . 12 1 1 A 16 16 LEU CA C 16 58.076 57.565 0.511 1
1 195 . 12 1 1 A 16 16 LEU CB C 16 42.531 41.222 1.309 1
1 199 . 12 1 1 A 16 16 LEU N N 16 122.531 122.374 0.157 1
1 200 . 12 1 1 A 17 17 ALA H H 17 8.243 7.177 1.066 1
1 201 . 12 1 1 A 17 17 ALA HA H 17 3.937 4.131 -0.194 1
1 205 . 12 1 1 A 17 17 ALA C C 17 177.131 177.044 0.087 1
1 206 . 12 1 1 A 17 17 ALA CA C 17 51.802 51.718 0.084 1
1 207 . 12 1 1 A 17 17 ALA CB C 17 18.473 19.961 -1.488 1
1 208 . 12 1 1 A 17 17 ALA N N 17 116.354 119.277 -2.923 1
1 209 . 12 1 1 A 18 18 ASP H H 18 7.488 7.431 0.057 1
1 210 . 12 1 1 A 18 18 ASP HA H 18 4.455 4.318 0.137 1
1 213 . 12 1 1 A 18 18 ASP C C 18 177.370 176.588 0.782 1
1 214 . 12 1 1 A 18 18 ASP CA C 18 54.571 54.563 0.008 1
1 215 . 12 1 1 A 18 18 ASP CB C 18 40.521 42.698 -2.177 1
1 216 . 12 1 1 A 18 18 ASP N N 18 119.230 118.716 0.514 1
1 217 . 12 1 1 A 19 19 SER H H 19 8.793 8.710 0.083 1
1 218 . 12 1 1 A 19 19 SER HA H 19 4.424 4.500 -0.076 1
1 221 . 12 1 1 A 19 19 SER C C 19 174.779 175.246 -0.467 1
1 222 . 12 1 1 A 19 19 SER CA C 19 59.706 61.124 -1.418 1
1 223 . 12 1 1 A 19 19 SER CB C 19 63.351 63.711 -0.360 1
1 224 . 12 1 1 A 19 19 SER N N 19 119.892 119.455 0.437 1
1 225 . 12 1 1 A 20 20 ASN H H 20 8.520 8.035 0.485 1
1 226 . 12 1 1 A 20 20 ASN HA H 20 4.869 4.929 -0.060 1
1 231 . 12 1 1 A 20 20 ASN C C 20 173.838 174.595 -0.757 1
1 232 . 12 1 1 A 20 20 ASN CA C 20 52.586 53.611 -1.025 1
1 233 . 12 1 1 A 20 20 ASN CB C 20 38.799 38.574 0.225 1
1 235 . 12 1 1 A 20 20 ASN N N 20 119.769 119.106 0.663 1
1 237 . 12 1 1 A 21 21 PHE H H 21 8.082 8.956 -0.874 1
1 238 . 12 1 1 A 21 21 PHE HA H 21 4.397 5.415 -1.018 1
1 246 . 12 1 1 A 21 21 PHE C C 21 173.520 173.174 0.346 1
1 247 . 12 1 1 A 21 21 PHE CA C 21 58.672 56.204 2.468 1
1 248 . 12 1 1 A 21 21 PHE CB C 21 40.704 42.244 -1.540 1
1 254 . 12 1 1 A 21 21 PHE N N 21 121.875 125.835 -3.960 1
1 255 . 12 1 1 A 22 22 ASP H H 22 7.570 8.499 -0.929 1
1 256 . 12 1 1 A 22 22 ASP HA H 22 4.563 4.870 -0.307 1
1 259 . 12 1 1 A 22 22 ASP C C 22 175.674 175.979 -0.305 1
1 260 . 12 1 1 A 22 22 ASP CA C 22 52.049 52.344 -0.295 1
1 261 . 12 1 1 A 22 22 ASP CB C 22 43.023 42.171 0.852 1
1 262 . 12 1 1 A 22 22 ASP N N 22 126.780 127.898 -1.118 1
1 263 . 12 1 1 A 23 23 ILE H H 23 8.720 8.539 0.181 1
1 264 . 12 1 1 A 23 23 ILE HA H 23 3.555 3.607 -0.052 1
1 274 . 12 1 1 A 23 23 ILE C C 23 176.441 177.349 -0.908 1
1 275 . 12 1 1 A 23 23 ILE CA C 23 63.650 63.758 -0.108 1
1 276 . 12 1 1 A 23 23 ILE CB C 23 37.741 37.907 -0.166 1
1 280 . 12 1 1 A 23 23 ILE N N 23 124.815 127.145 -2.330 1
1 281 . 12 1 1 A 24 24 ALA H H 24 8.543 7.886 0.657 1
1 282 . 12 1 1 A 24 24 ALA HA H 24 3.917 4.058 -0.141 1
1 286 . 12 1 1 A 24 24 ALA C C 24 180.227 179.564 0.663 1
1 287 . 12 1 1 A 24 24 ALA CA C 24 55.413 55.300 0.113 1
1 288 . 12 1 1 A 24 24 ALA CB C 24 17.760 17.723 0.037 1
1 289 . 12 1 1 A 24 24 ALA N N 24 123.943 123.995 -0.052 1
1 290 . 12 1 1 A 25 25 SER H H 25 7.844 7.860 -0.016 1
1 291 . 12 1 1 A 25 25 SER HA H 25 4.246 4.032 0.214 1
1 293 . 12 1 1 A 25 25 SER C C 25 176.667 176.023 0.644 1
1 294 . 12 1 1 A 25 25 SER CA C 25 61.238 61.618 -0.380 1
1 295 . 12 1 1 A 25 25 SER CB C 25 62.402 62.879 -0.477 1
1 296 . 12 1 1 A 25 25 SER N N 25 114.143 113.382 0.761 1
1 297 . 12 1 1 A 26 26 VAL H H 26 7.086 7.275 -0.189 1
1 298 . 12 1 1 A 26 26 VAL HA H 26 3.198 3.719 -0.521 1
1 306 . 12 1 1 A 26 26 VAL C C 26 176.670 177.976 -1.306 1
1 307 . 12 1 1 A 26 26 VAL CA C 26 64.809 66.604 -1.795 1
1 308 . 12 1 1 A 26 26 VAL CB C 26 31.274 31.573 -0.299 1
1 311 . 12 1 1 A 26 26 VAL N N 26 122.369 122.001 0.368 1
1 312 . 12 1 1 A 27 27 ALA H H 27 8.043 7.839 0.204 1
1 313 . 12 1 1 A 27 27 ALA HA H 27 3.775 3.978 -0.203 1
1 317 . 12 1 1 A 27 27 ALA C C 27 178.948 179.302 -0.354 1
1 318 . 12 1 1 A 27 27 ALA CA C 27 55.507 55.704 -0.197 1
1 319 . 12 1 1 A 27 27 ALA CB C 27 17.412 18.145 -0.733 1
1 320 . 12 1 1 A 27 27 ALA N N 27 122.045 122.227 -0.182 1
1 321 . 12 1 1 A 28 28 GLN H H 28 8.089 8.006 0.083 1
1 322 . 12 1 1 A 28 28 GLN HA H 28 4.053 4.051 0.002 1
1 329 . 12 1 1 A 28 28 GLN C C 28 179.289 178.250 1.039 1
1 330 . 12 1 1 A 28 28 GLN CA C 28 58.625 58.310 0.315 1
1 331 . 12 1 1 A 28 28 GLN CB C 28 28.155 28.290 -0.135 1
1 334 . 12 1 1 A 28 28 GLN N N 28 116.168 116.294 -0.126 1
1 336 . 12 1 1 A 29 29 HIS H H 29 7.454 7.985 -0.531 1
1 337 . 12 1 1 A 29 29 HIS HA H 29 4.209 4.084 0.125 1
1 342 . 12 1 1 A 29 29 HIS C C 29 175.895 176.804 -0.909 1
1 343 . 12 1 1 A 29 29 HIS CA C 29 59.132 59.361 -0.229 1
1 344 . 12 1 1 A 29 29 HIS CB C 29 28.947 29.680 -0.733 1
1 347 . 12 1 1 A 29 29 HIS N N 29 118.117 119.664 -1.547 1
1 348 . 12 1 1 A 30 30 VAL H H 30 7.309 6.991 0.318 1
1 349 . 12 1 1 A 30 30 VAL HA H 30 4.441 4.100 0.341 1
1 357 . 12 1 1 A 30 30 VAL C C 30 173.598 174.290 -0.692 1
1 358 . 12 1 1 A 30 30 VAL CA C 30 59.948 60.493 -0.545 1
1 359 . 12 1 1 A 30 30 VAL CB C 30 31.067 30.940 0.127 1
1 362 . 12 1 1 A 30 30 VAL N N 30 106.791 109.668 -2.877 1
1 363 . 12 1 1 A 31 31 CYS H H 31 7.837 8.000 -0.163 1
1 364 . 12 1 1 A 31 31 CYS HA H 31 3.929 4.112 -0.183 1
1 367 . 12 1 1 A 31 31 CYS C C 31 173.679 173.477 0.202 1
1 368 . 12 1 1 A 31 31 CYS CA C 31 59.814 60.422 -0.608 1
1 369 . 12 1 1 A 31 31 CYS CB C 31 24.898 25.938 -1.040 1
1 370 . 12 1 1 A 31 31 CYS N N 31 116.363 117.135 -0.772 1
1 371 . 12 1 1 A 32 32 LEU H H 32 8.061 7.734 0.327 1
1 372 . 12 1 1 A 32 32 LEU HA H 32 4.871 4.823 0.048 1
1 382 . 12 1 1 A 32 32 LEU C C 32 176.243 175.798 0.445 1
1 383 . 12 1 1 A 32 32 LEU CA C 32 52.555 53.188 -0.633 1
1 384 . 12 1 1 A 32 32 LEU CB C 32 48.238 46.251 1.987 1
1 388 . 12 1 1 A 32 32 LEU N N 32 118.159 120.433 -2.274 1
1 389 . 12 1 1 A 33 33 SER H H 33 8.221 8.639 -0.418 1
1 390 . 12 1 1 A 33 33 SER N N 33 116.259 115.344 0.915 1
1 391 . 12 1 1 A 34 34 PRO HA H 34 3.951 4.350 -0.399 1
1 398 . 12 1 1 A 34 34 PRO C C 34 178.473 178.997 -0.524 1
1 399 . 12 1 1 A 34 34 PRO CA C 34 66.404 64.985 1.419 1
1 400 . 12 1 1 A 34 34 PRO CB C 34 31.712 32.007 -0.295 1
1 403 . 12 1 1 A 35 35 SER H H 35 8.343 8.368 -0.025 1
1 404 . 12 1 1 A 35 35 SER HA H 35 4.192 4.212 -0.020 1
1 406 . 12 1 1 A 35 35 SER C C 35 177.361 176.124 1.237 1
1 407 . 12 1 1 A 35 35 SER CA C 35 61.358 61.774 -0.416 1
1 408 . 12 1 1 A 35 35 SER CB C 35 62.140 62.727 -0.587 1
1 409 . 12 1 1 A 35 35 SER N N 35 111.653 114.324 -2.671 1
1 410 . 12 1 1 A 36 36 ARG H H 36 7.868 7.753 0.115 1
1 411 . 12 1 1 A 36 36 ARG HA H 36 4.243 4.219 0.024 1
1 418 . 12 1 1 A 36 36 ARG C C 36 178.850 178.733 0.117 1
1 419 . 12 1 1 A 36 36 ARG CA C 36 58.714 58.488 0.226 1
1 420 . 12 1 1 A 36 36 ARG CB C 36 29.804 30.056 -0.252 1
1 423 . 12 1 1 A 36 36 ARG N N 36 124.303 121.365 2.938 1
1 424 . 12 1 1 A 37 37 LEU H H 37 8.593 8.324 0.269 1
1 425 . 12 1 1 A 37 37 LEU HA H 37 4.052 4.141 -0.089 1
1 435 . 12 1 1 A 37 37 LEU C C 37 177.894 178.519 -0.625 1
1 436 . 12 1 1 A 37 37 LEU CA C 37 58.289 58.145 0.144 1
1 437 . 12 1 1 A 37 37 LEU CB C 37 40.775 41.437 -0.662 1
1 441 . 12 1 1 A 37 37 LEU N N 37 119.319 121.494 -2.175 1
1 442 . 12 1 1 A 38 38 SER H H 38 8.478 8.306 0.172 1
1 443 . 12 1 1 A 38 38 SER HA H 38 4.066 4.281 -0.215 1
1 444 . 12 1 1 A 38 38 SER C C 38 176.577 176.741 -0.164 1
1 445 . 12 1 1 A 38 38 SER CA C 38 62.824 60.644 2.180 1
1 446 . 12 1 1 A 38 38 SER N N 38 113.612 115.151 -1.539 1
1 447 . 12 1 1 A 39 39 HIS H H 39 7.983 7.554 0.429 1
1 448 . 12 1 1 A 39 39 HIS HA H 39 4.403 4.274 0.129 1
1 453 . 12 1 1 A 39 39 HIS C C 39 177.138 176.864 0.274 1
1 454 . 12 1 1 A 39 39 HIS CA C 39 59.316 60.034 -0.718 1
1 455 . 12 1 1 A 39 39 HIS CB C 39 29.226 30.194 -0.968 1
1 458 . 12 1 1 A 39 39 HIS N N 39 119.938 121.611 -1.673 1
1 459 . 12 1 1 A 40 40 LEU H H 40 8.432 8.241 0.191 1
1 460 . 12 1 1 A 40 40 LEU HA H 40 4.045 3.998 0.047 1
1 470 . 12 1 1 A 40 40 LEU C C 40 178.876 179.063 -0.187 1
1 471 . 12 1 1 A 40 40 LEU CA C 40 57.990 57.838 0.152 1
1 472 . 12 1 1 A 40 40 LEU CB C 40 42.609 41.877 0.732 1
1 476 . 12 1 1 A 40 40 LEU N N 40 120.053 118.820 1.233 1
1 477 . 12 1 1 A 41 41 PHE H H 41 8.937 8.658 0.279 1
1 478 . 12 1 1 A 41 41 PHE HA H 41 3.736 3.908 -0.172 1
1 486 . 12 1 1 A 41 41 PHE C C 41 178.022 177.553 0.469 1
1 487 . 12 1 1 A 41 41 PHE CA C 41 62.523 61.771 0.752 1
1 488 . 12 1 1 A 41 41 PHE CB C 41 39.534 39.013 0.521 1
1 494 . 12 1 1 A 41 41 PHE N N 41 120.491 119.506 0.985 1
1 495 . 12 1 1 A 42 42 ARG H H 42 8.009 8.470 -0.461 1
1 496 . 12 1 1 A 42 42 ARG HA H 42 4.021 4.390 -0.369 1
1 502 . 12 1 1 A 42 42 ARG C C 42 179.850 178.297 1.553 1
1 503 . 12 1 1 A 42 42 ARG CA C 42 59.243 59.139 0.104 1
1 504 . 12 1 1 A 42 42 ARG CB C 42 29.748 29.759 -0.011 1
1 507 . 12 1 1 A 42 42 ARG N N 42 117.688 118.918 -1.230 1
1 508 . 12 1 1 A 43 43 GLN H H 43 8.286 7.653 0.633 1
1 509 . 12 1 1 A 43 43 GLN HA H 43 4.006 3.954 0.052 1
1 516 . 12 1 1 A 43 43 GLN C C 43 177.917 178.270 -0.353 1
1 517 . 12 1 1 A 43 43 GLN CA C 43 58.715 58.872 -0.157 1
1 518 . 12 1 1 A 43 43 GLN CB C 43 29.345 28.588 0.757 1
1 521 . 12 1 1 A 43 43 GLN N N 43 118.179 118.657 -0.478 1
1 523 . 12 1 1 A 44 44 GLN H H 44 8.296 8.083 0.213 1
1 524 . 12 1 1 A 44 44 GLN HA H 44 4.208 4.072 0.136 1
1 531 . 12 1 1 A 44 44 GLN C C 44 177.314 177.288 0.026 1
1 532 . 12 1 1 A 44 44 GLN CA C 44 57.913 58.080 -0.167 1
1 533 . 12 1 1 A 44 44 GLN CB C 44 29.027 28.529 0.498 1
1 536 . 12 1 1 A 44 44 GLN N N 44 114.928 117.927 -2.999 1
1 538 . 12 1 1 A 45 45 LEU H H 45 8.463 7.962 0.501 1
1 539 . 12 1 1 A 45 45 LEU HA H 45 4.567 4.188 0.379 1
1 549 . 12 1 1 A 45 45 LEU C C 45 178.381 177.231 1.150 1
1 550 . 12 1 1 A 45 45 LEU CA C 45 54.564 55.027 -0.463 1
1 551 . 12 1 1 A 45 45 LEU CB C 45 43.031 42.340 0.691 1
1 555 . 12 1 1 A 45 45 LEU N N 45 117.028 117.533 -0.505 1
1 556 . 12 1 1 A 46 46 GLY H H 46 7.852 8.868 -1.016 1
1 557 . 12 1 1 A 46 46 GLY HA2 H 46 4.005 3.859 0.146 1
1 558 . 12 1 1 A 46 46 GLY HA3 H 46 4.167 3.869 0.298 1
1 559 . 12 1 1 A 46 46 GLY C C 46 173.114 173.466 -0.352 1
1 560 . 12 1 1 A 46 46 GLY CA C 46 46.080 45.967 0.113 1
1 561 . 12 1 1 A 46 46 GLY N N 46 108.569 108.560 0.009 1
1 562 . 12 1 1 A 47 47 ILE H H 47 7.281 7.527 -0.246 1
1 563 . 12 1 1 A 47 47 ILE HA H 47 4.735 4.868 -0.133 1
1 573 . 12 1 1 A 47 47 ILE C C 47 172.231 174.326 -2.095 1
1 574 . 12 1 1 A 47 47 ILE CA C 47 59.240 58.900 0.340 1
1 575 . 12 1 1 A 47 47 ILE CB C 47 42.470 41.989 0.481 1
1 579 . 12 1 1 A 47 47 ILE N N 47 115.396 115.872 -0.476 1
1 580 . 12 1 1 A 48 48 SER H H 48 8.298 8.829 -0.531 1
1 581 . 12 1 1 A 48 48 SER HA H 48 4.725 4.644 0.081 1
1 584 . 12 1 1 A 48 48 SER C C 48 174.600 175.881 -1.281 1
1 585 . 12 1 1 A 48 48 SER CA C 48 57.092 58.472 -1.380 1
1 586 . 12 1 1 A 48 48 SER CB C 48 65.286 64.174 1.112 1
1 587 . 12 1 1 A 48 48 SER N N 48 115.685 119.007 -3.322 1
1 588 . 12 1 1 A 49 49 VAL H H 49 8.296 8.820 -0.524 1
1 589 . 12 1 1 A 49 49 VAL HA H 49 3.081 3.878 -0.797 1
1 597 . 12 1 1 A 49 49 VAL C C 49 177.888 177.301 0.587 1
1 598 . 12 1 1 A 49 49 VAL CA C 49 65.881 67.600 -1.719 1
1 599 . 12 1 1 A 49 49 VAL CB C 49 31.149 31.634 -0.485 1
1 602 . 12 1 1 A 49 49 VAL N N 49 120.175 124.257 -4.082 1
1 603 . 12 1 1 A 50 50 LEU H H 50 8.138 8.266 -0.128 1
1 604 . 12 1 1 A 50 50 LEU HA H 50 4.011 4.072 -0.061 1
1 614 . 12 1 1 A 50 50 LEU C C 50 180.412 179.740 0.672 1
1 615 . 12 1 1 A 50 50 LEU CA C 50 57.962 58.171 -0.209 1
1 616 . 12 1 1 A 50 50 LEU CB C 50 41.224 41.383 -0.159 1
1 620 . 12 1 1 A 50 50 LEU N N 50 116.998 119.275 -2.277 1
1 621 . 12 1 1 A 51 51 SER H H 51 8.087 8.225 -0.138 1
1 622 . 12 1 1 A 51 51 SER HA H 51 4.279 4.247 0.032 1
1 624 . 12 1 1 A 51 51 SER C C 51 176.081 176.817 -0.736 1
1 625 . 12 1 1 A 51 51 SER CA C 51 62.174 61.344 0.830 1
1 626 . 12 1 1 A 51 51 SER N N 51 117.207 114.520 2.687 1
1 627 . 12 1 1 A 52 52 TRP H H 52 8.913 8.471 0.442 1
1 628 . 12 1 1 A 52 52 TRP HA H 52 4.067 4.240 -0.173 1
1 637 . 12 1 1 A 52 52 TRP C C 52 178.579 178.012 0.567 1
1 638 . 12 1 1 A 52 52 TRP CA C 52 63.288 61.255 2.033 1
1 639 . 12 1 1 A 52 52 TRP CB C 52 29.159 29.905 -0.746 1
1 645 . 12 1 1 A 52 52 TRP N N 52 124.958 123.469 1.489 1
1 647 . 12 1 1 A 53 53 ARG H H 53 8.547 8.311 0.236 1
1 648 . 12 1 1 A 53 53 ARG HA H 53 3.578 3.613 -0.035 1
1 654 . 12 1 1 A 53 53 ARG C C 53 177.290 178.496 -1.206 1
1 655 . 12 1 1 A 53 53 ARG CA C 53 60.443 59.492 0.951 1
1 656 . 12 1 1 A 53 53 ARG CB C 53 30.001 29.709 0.292 1
1 659 . 12 1 1 A 53 53 ARG N N 53 118.356 119.116 -0.760 1
1 660 . 12 1 1 A 54 54 GLU H H 54 8.002 7.791 0.211 1
1 661 . 12 1 1 A 54 54 GLU HA H 54 4.016 4.030 -0.014 1
1 666 . 12 1 1 A 54 54 GLU C C 54 178.460 178.263 0.197 1
1 667 . 12 1 1 A 54 54 GLU CA C 54 59.982 59.594 0.388 1
1 668 . 12 1 1 A 54 54 GLU CB C 54 29.759 29.238 0.521 1
1 670 . 12 1 1 A 54 54 GLU N N 54 118.818 119.172 -0.354 1
1 671 . 12 1 1 A 55 55 ASP H H 55 8.111 8.276 -0.165 1
1 672 . 12 1 1 A 55 55 ASP HA H 55 4.289 4.305 -0.016 1
1 675 . 12 1 1 A 55 55 ASP C C 55 179.313 178.773 0.540 1
1 676 . 12 1 1 A 55 55 ASP CA C 55 57.131 57.860 -0.729 1
1 677 . 12 1 1 A 55 55 ASP CB C 55 40.227 42.364 -2.137 1
1 678 . 12 1 1 A 55 55 ASP N N 55 119.156 120.127 -0.971 1
1 679 . 12 1 1 A 56 56 GLN H H 56 8.099 7.508 0.591 1
1 680 . 12 1 1 A 56 56 GLN HA H 56 3.781 3.852 -0.071 1
1 687 . 12 1 1 A 56 56 GLN C C 56 178.700 178.230 0.470 1
1 688 . 12 1 1 A 56 56 GLN CA C 56 57.487 59.043 -1.556 1
1 689 . 12 1 1 A 56 56 GLN CB C 56 27.430 28.104 -0.674 1
1 692 . 12 1 1 A 56 56 GLN N N 56 119.807 119.022 0.785 1
1 694 . 12 1 1 A 57 57 ARG H H 57 8.240 7.952 0.288 1
1 695 . 12 1 1 A 57 57 ARG HA H 57 3.898 3.963 -0.065 1
1 702 . 12 1 1 A 57 57 ARG C C 57 178.185 178.882 -0.697 1
1 703 . 12 1 1 A 57 57 ARG CA C 57 60.671 59.042 1.629 1
1 704 . 12 1 1 A 57 57 ARG CB C 57 31.221 29.784 1.437 1
1 707 . 12 1 1 A 57 57 ARG N N 57 120.129 119.045 1.084 1
1 708 . 12 1 1 A 58 58 ILE H H 58 7.885 8.034 -0.149 1
1 709 . 12 1 1 A 58 58 ILE HA H 58 3.978 4.034 -0.056 1
1 719 . 12 1 1 A 58 58 ILE C C 58 178.357 178.165 0.192 1
1 720 . 12 1 1 A 58 58 ILE CA C 58 61.684 65.041 -3.357 1
1 721 . 12 1 1 A 58 58 ILE CB C 58 34.538 37.888 -3.350 1
1 725 . 12 1 1 A 58 58 ILE N N 58 118.096 121.465 -3.369 1
1 726 . 12 1 1 A 59 59 SER H H 59 8.563 8.229 0.334 1
1 727 . 12 1 1 A 59 59 SER HA H 59 4.010 4.125 -0.115 1
1 728 . 12 1 1 A 59 59 SER C C 59 177.731 177.256 0.475 1
1 729 . 12 1 1 A 59 59 SER CA C 59 62.459 61.435 1.024 1
1 730 . 12 1 1 A 59 59 SER N N 59 117.208 115.642 1.566 1
1 731 . 12 1 1 A 60 60 GLN H H 60 8.471 8.070 0.401 1
1 732 . 12 1 1 A 60 60 GLN HA H 60 4.228 4.015 0.213 1
1 739 . 12 1 1 A 60 60 GLN C C 60 177.958 177.535 0.423 1
1 740 . 12 1 1 A 60 60 GLN CA C 60 58.233 58.465 -0.232 1
1 741 . 12 1 1 A 60 60 GLN CB C 60 27.288 28.830 -1.542 1
1 744 . 12 1 1 A 60 60 GLN N N 60 121.780 120.523 1.257 1
1 746 . 12 1 1 A 61 61 ALA H H 61 8.504 8.219 0.285 1
1 747 . 12 1 1 A 61 61 ALA HA H 61 3.947 3.936 0.011 1
1 751 . 12 1 1 A 61 61 ALA C C 61 179.360 179.494 -0.134 1
1 752 . 12 1 1 A 61 61 ALA CA C 61 55.413 55.291 0.122 1
1 753 . 12 1 1 A 61 61 ALA CB C 61 18.124 18.157 -0.033 1
1 754 . 12 1 1 A 61 61 ALA N N 61 122.352 122.041 0.311 1
1 755 . 12 1 1 A 62 62 LYS H H 62 8.776 8.416 0.360 1
1 756 . 12 1 1 A 62 62 LYS HA H 62 3.722 4.180 -0.458 1
1 765 . 12 1 1 A 62 62 LYS C C 62 179.330 178.771 0.559 1
1 766 . 12 1 1 A 62 62 LYS CA C 62 60.632 59.197 1.435 1
1 767 . 12 1 1 A 62 62 LYS CB C 62 32.580 31.882 0.698 1
1 771 . 12 1 1 A 62 62 LYS N N 62 117.072 116.757 0.315 1
1 772 . 12 1 1 A 63 63 LEU H H 63 7.670 7.783 -0.113 1
1 773 . 12 1 1 A 63 63 LEU HA H 63 4.233 4.030 0.203 1
1 783 . 12 1 1 A 63 63 LEU C C 63 180.902 178.316 2.586 1
1 784 . 12 1 1 A 63 63 LEU CA C 63 58.446 58.158 0.288 1
1 785 . 12 1 1 A 63 63 LEU CB C 63 41.598 41.681 -0.083 1
1 789 . 12 1 1 A 63 63 LEU N N 63 121.196 120.990 0.206 1
1 790 . 12 1 1 A 64 64 LEU H H 64 8.585 8.068 0.517 1
1 791 . 12 1 1 A 64 64 LEU HA H 64 4.088 4.065 0.023 1
1 801 . 12 1 1 A 64 64 LEU C C 64 180.869 179.206 1.663 1
1 802 . 12 1 1 A 64 64 LEU CA C 64 57.782 57.778 0.004 1
1 803 . 12 1 1 A 64 64 LEU CB C 64 42.760 41.603 1.157 1
1 807 . 12 1 1 A 64 64 LEU N N 64 121.842 118.523 3.319 1
1 808 . 12 1 1 A 65 65 LEU H H 65 9.100 8.194 0.906 1
1 809 . 12 1 1 A 65 65 LEU HA H 65 4.346 4.130 0.216 1
1 819 . 12 1 1 A 65 65 LEU C C 65 178.659 178.464 0.195 1
1 820 . 12 1 1 A 65 65 LEU CA C 65 57.408 57.338 0.070 1
1 821 . 12 1 1 A 65 65 LEU CB C 65 43.013 40.867 2.146 1
1 825 . 12 1 1 A 65 65 LEU N N 65 119.872 119.155 0.717 1
1 826 . 12 1 1 A 66 66 SER H H 66 8.303 8.057 0.246 1
1 827 . 12 1 1 A 66 66 SER HA H 66 4.211 4.480 -0.269 1
1 829 . 12 1 1 A 66 66 SER C C 66 176.580 175.463 1.117 1
1 830 . 12 1 1 A 66 66 SER CA C 66 60.155 60.990 -0.835 1
1 831 . 12 1 1 A 66 66 SER CB C 66 65.198 63.625 1.573 1
1 832 . 12 1 1 A 66 66 SER N N 66 110.490 115.463 -4.973 1
1 833 . 12 1 1 A 67 67 THR H H 67 7.901 7.741 0.160 1
1 834 . 12 1 1 A 67 67 THR HA H 67 4.812 4.369 0.443 1
1 839 . 12 1 1 A 67 67 THR C C 67 174.240 174.363 -0.123 1
1 840 . 12 1 1 A 67 67 THR CA C 67 62.400 63.631 -1.231 1
1 841 . 12 1 1 A 67 67 THR CB C 67 71.512 69.619 1.893 1
1 843 . 12 1 1 A 67 67 THR N N 67 108.414 114.830 -6.416 1
1 844 . 12 1 1 A 68 68 THR H H 68 7.507 7.660 -0.153 1
1 845 . 12 1 1 A 68 68 THR HA H 68 5.096 4.792 0.304 1
1 850 . 12 1 1 A 68 68 THR C C 68 174.263 174.197 0.066 1
1 851 . 12 1 1 A 68 68 THR CA C 68 60.124 59.673 0.451 1
1 852 . 12 1 1 A 68 68 THR CB C 68 72.795 72.215 0.580 1
1 854 . 12 1 1 A 68 68 THR N N 68 111.673 110.637 1.036 1
1 855 . 12 1 1 A 69 69 ARG H H 69 8.767 8.712 0.055 1
1 856 . 12 1 1 A 69 69 ARG HA H 69 4.422 4.558 -0.136 1
1 863 . 12 1 1 A 69 69 ARG C C 69 176.568 176.464 0.104 1
1 864 . 12 1 1 A 69 69 ARG CA C 69 53.692 55.300 -1.608 1
1 865 . 12 1 1 A 69 69 ARG CB C 69 28.814 30.419 -1.605 1
1 868 . 12 1 1 A 69 69 ARG N N 69 118.034 122.272 -4.238 1
1 869 . 12 1 1 A 70 70 MET H H 70 7.996 7.273 0.723 1
1 870 . 12 1 1 A 70 70 MET HA H 70 4.470 4.527 -0.057 1
1 878 . 12 1 1 A 70 70 MET CA C 70 55.386 55.291 0.095 1
1 879 . 12 1 1 A 70 70 MET CB C 70 34.080 32.425 1.655 1
1 882 . 12 1 1 A 70 70 MET N N 70 122.491 119.122 3.369 1
1 883 . 12 1 1 A 71 71 PRO HA H 71 4.574 4.511 0.063 1
1 890 . 12 1 1 A 71 71 PRO C C 71 177.204 177.113 0.091 1
1 891 . 12 1 1 A 71 71 PRO CA C 71 62.915 62.419 0.496 1
1 892 . 12 1 1 A 71 71 PRO CB C 71 32.380 32.622 -0.242 1
1 895 . 12 1 1 A 72 72 ILE H H 72 8.782 8.402 0.380 1
1 896 . 12 1 1 A 72 72 ILE HA H 72 3.407 3.826 -0.419 1
1 906 . 12 1 1 A 72 72 ILE C C 72 177.760 178.192 -0.432 1
1 907 . 12 1 1 A 72 72 ILE CA C 72 65.627 64.571 1.056 1
1 908 . 12 1 1 A 72 72 ILE CB C 72 36.771 37.687 -0.916 1
1 912 . 12 1 1 A 72 72 ILE N N 72 124.417 122.502 1.915 1
1 913 . 12 1 1 A 73 73 ALA H H 73 9.109 8.183 0.926 1
1 914 . 12 1 1 A 73 73 ALA HA H 73 3.974 4.060 -0.086 1
1 918 . 12 1 1 A 73 73 ALA C C 73 180.248 179.752 0.496 1
1 919 . 12 1 1 A 73 73 ALA CA C 73 55.232 55.292 -0.060 1
1 920 . 12 1 1 A 73 73 ALA CB C 73 18.338 18.242 0.096 1
1 921 . 12 1 1 A 73 73 ALA N N 73 119.077 123.893 -4.816 1
1 922 . 12 1 1 A 74 74 THR H H 74 7.112 8.103 -0.991 1
1 923 . 12 1 1 A 74 74 THR HA H 74 3.875 3.886 -0.011 1
1 928 . 12 1 1 A 74 74 THR C C 74 175.761 176.376 -0.615 1
1 929 . 12 1 1 A 74 74 THR CA C 74 65.841 66.935 -1.094 1
1 930 . 12 1 1 A 74 74 THR CB C 74 68.248 68.493 -0.245 1
1 932 . 12 1 1 A 74 74 THR N N 74 114.866 115.009 -0.143 1
1 933 . 12 1 1 A 75 75 VAL H H 75 8.087 7.966 0.121 1
1 934 . 12 1 1 A 75 75 VAL HA H 75 3.305 3.541 -0.236 1
1 942 . 12 1 1 A 75 75 VAL C C 75 177.048 178.056 -1.008 1
1 943 . 12 1 1 A 75 75 VAL CA C 75 67.681 66.444 1.237 1
1 944 . 12 1 1 A 75 75 VAL CB C 75 30.831 31.165 -0.334 1
1 947 . 12 1 1 A 75 75 VAL N N 75 123.901 121.467 2.434 1
1 948 . 12 1 1 A 76 76 GLY H H 76 7.673 8.215 -0.542 1
1 949 . 12 1 1 A 76 76 GLY HA2 H 76 2.235 3.552 -1.317 1
1 950 . 12 1 1 A 76 76 GLY HA3 H 76 3.003 3.770 -0.767 1
1 951 . 12 1 1 A 76 76 GLY C C 76 176.562 176.016 0.546 1
1 952 . 12 1 1 A 76 76 GLY CA C 76 46.293 46.937 -0.644 1
1 953 . 12 1 1 A 76 76 GLY N N 76 102.438 107.871 -5.433 1
1 954 . 12 1 1 A 77 77 ARG H H 77 7.760 7.710 0.050 1
1 955 . 12 1 1 A 77 77 ARG HA H 77 3.982 3.960 0.022 1
1 962 . 12 1 1 A 77 77 ARG C C 77 180.332 179.237 1.095 1
1 963 . 12 1 1 A 77 77 ARG CA C 77 59.550 59.169 0.381 1
1 964 . 12 1 1 A 77 77 ARG CB C 77 30.085 29.636 0.449 1
1 967 . 12 1 1 A 77 77 ARG N N 77 122.228 121.980 0.248 1
1 968 . 12 1 1 A 78 78 ASN H H 78 8.230 7.856 0.374 1
1 969 . 12 1 1 A 78 78 ASN HA H 78 4.397 4.391 0.006 1
1 974 . 12 1 1 A 78 78 ASN C C 78 176.105 176.850 -0.745 1
1 975 . 12 1 1 A 78 78 ASN CA C 78 55.615 55.948 -0.333 1
1 976 . 12 1 1 A 78 78 ASN CB C 78 38.806 38.563 0.243 1
1 978 . 12 1 1 A 78 78 ASN N N 78 119.139 117.604 1.535 1
1 980 . 12 1 1 A 79 79 VAL H H 79 7.323 6.812 0.511 1
1 981 . 12 1 1 A 79 79 VAL HA H 79 4.438 4.164 0.274 1
1 989 . 12 1 1 A 79 79 VAL C C 79 174.220 175.471 -1.251 1
1 990 . 12 1 1 A 79 79 VAL CA C 79 59.911 60.705 -0.794 1
1 991 . 12 1 1 A 79 79 VAL CB C 79 31.400 30.955 0.445 1
1 994 . 12 1 1 A 79 79 VAL N N 79 108.664 111.264 -2.600 1
1 995 . 12 1 1 A 80 80 GLY H H 80 7.286 7.643 -0.357 1
1 996 . 12 1 1 A 80 80 GLY HA2 H 80 3.540 3.650 -0.110 1
1 997 . 12 1 1 A 80 80 GLY HA3 H 80 4.023 3.768 0.255 1
1 998 . 12 1 1 A 80 80 GLY C C 80 174.383 174.289 0.094 1
1 999 . 12 1 1 A 80 80 GLY CA C 80 45.739 45.563 0.176 1
1 1000 . 12 1 1 A 80 80 GLY N N 80 104.635 109.864 -5.229 1
1 1001 . 12 1 1 A 81 81 PHE H H 81 8.535 7.590 0.945 1
1 1002 . 12 1 1 A 81 81 PHE HA H 81 4.845 4.365 0.480 1
1 1010 . 12 1 1 A 81 81 PHE C C 81 174.570 175.360 -0.790 1
1 1011 . 12 1 1 A 81 81 PHE CA C 81 56.375 58.324 -1.949 1
1 1012 . 12 1 1 A 81 81 PHE CB C 81 39.941 39.350 0.591 1
1 1018 . 12 1 1 A 81 81 PHE N N 81 119.772 118.957 0.815 1
1 1019 . 12 1 1 A 82 82 ASP H H 82 8.564 9.143 -0.579 1
1 1020 . 12 1 1 A 82 82 ASP HA H 82 4.491 4.552 -0.061 1
1 1023 . 12 1 1 A 82 82 ASP C C 82 175.170 175.562 -0.392 1
1 1024 . 12 1 1 A 82 82 ASP CA C 82 55.195 56.645 -1.450 1
1 1025 . 12 1 1 A 82 82 ASP CB C 82 41.010 41.351 -0.341 1
1 1026 . 12 1 1 A 82 82 ASP N N 82 123.028 125.991 -2.963 1
1 1027 . 12 1 1 A 83 83 ASP H H 83 7.789 7.630 0.159 1
1 1028 . 12 1 1 A 83 83 ASP HA H 83 4.947 4.810 0.137 1
1 1031 . 12 1 1 A 83 83 ASP C C 83 176.347 177.143 -0.796 1
1 1032 . 12 1 1 A 83 83 ASP CA C 83 52.690 54.145 -1.455 1
1 1033 . 12 1 1 A 83 83 ASP CB C 83 43.152 41.489 1.663 1
1 1034 . 12 1 1 A 83 83 ASP N N 83 118.576 118.567 0.009 1
1 1035 . 12 1 1 A 84 84 GLN H H 84 9.104 8.744 0.360 1
1 1036 . 12 1 1 A 84 84 GLN HA H 84 4.333 4.155 0.178 1
1 1043 . 12 1 1 A 84 84 GLN C C 84 177.986 178.096 -0.110 1
1 1044 . 12 1 1 A 84 84 GLN CA C 84 58.909 58.691 0.218 1
1 1045 . 12 1 1 A 84 84 GLN CB C 84 28.267 27.971 0.296 1
1 1048 . 12 1 1 A 84 84 GLN N N 84 126.543 124.433 2.110 1
1 1050 . 12 1 1 A 85 85 LEU H H 85 8.419 8.164 0.255 1
1 1051 . 12 1 1 A 85 85 LEU HA H 85 4.210 4.112 0.098 1
1 1061 . 12 1 1 A 85 85 LEU C C 85 179.472 178.871 0.601 1
1 1062 . 12 1 1 A 85 85 LEU CA C 85 57.958 57.571 0.387 1
1 1063 . 12 1 1 A 85 85 LEU CB C 85 40.678 41.872 -1.194 1
1 1067 . 12 1 1 A 85 85 LEU N N 85 123.486 121.476 2.010 1
1 1068 . 12 1 1 A 86 86 TYR H H 86 8.042 8.372 -0.330 1
1 1069 . 12 1 1 A 86 86 TYR HA H 86 4.288 3.968 0.320 1
1 1076 . 12 1 1 A 86 86 TYR C C 86 177.195 177.027 0.168 1
1 1077 . 12 1 1 A 86 86 TYR CA C 86 60.367 61.613 -1.246 1
1 1078 . 12 1 1 A 86 86 TYR CB C 86 38.184 38.151 0.033 1
1 1083 . 12 1 1 A 86 86 TYR N N 86 122.679 120.123 2.556 1
1 1084 . 12 1 1 A 87 87 PHE H H 87 8.219 7.998 0.221 1
1 1085 . 12 1 1 A 87 87 PHE HA H 87 3.261 4.073 -0.812 1
1 1093 . 12 1 1 A 87 87 PHE C C 87 175.875 177.649 -1.774 1
1 1094 . 12 1 1 A 87 87 PHE CA C 87 58.536 61.910 -3.374 1
1 1095 . 12 1 1 A 87 87 PHE CB C 87 38.124 39.211 -1.087 1
1 1101 . 12 1 1 A 87 87 PHE N N 87 116.536 118.805 -2.269 1
1 1102 . 12 1 1 A 88 88 SER H H 88 8.082 7.924 0.158 1
1 1103 . 12 1 1 A 88 88 SER HA H 88 3.951 4.017 -0.066 1
1 1105 . 12 1 1 A 88 88 SER C C 88 175.926 176.564 -0.638 1
1 1106 . 12 1 1 A 88 88 SER CA C 88 62.398 61.559 0.839 1
1 1107 . 12 1 1 A 88 88 SER N N 88 112.937 115.784 -2.847 1
1 1108 . 12 1 1 A 89 89 ARG H H 89 7.843 8.072 -0.229 1
1 1109 . 12 1 1 A 89 89 ARG HA H 89 3.975 4.012 -0.037 1
1 1116 . 12 1 1 A 89 89 ARG C C 89 179.414 178.751 0.663 1
1 1117 . 12 1 1 A 89 89 ARG CA C 89 59.452 59.109 0.343 1
1 1118 . 12 1 1 A 89 89 ARG CB C 89 30.242 29.883 0.359 1
1 1121 . 12 1 1 A 89 89 ARG N N 89 121.621 121.900 -0.279 1
1 1122 . 12 1 1 A 90 90 VAL H H 90 8.235 7.561 0.674 1
1 1123 . 12 1 1 A 90 90 VAL HA H 90 3.530 3.455 0.075 1
1 1131 . 12 1 1 A 90 90 VAL C C 90 177.752 177.988 -0.236 1
1 1132 . 12 1 1 A 90 90 VAL CA C 90 66.208 66.167 0.041 1
1 1133 . 12 1 1 A 90 90 VAL CB C 90 31.649 31.798 -0.149 1
1 1136 . 12 1 1 A 90 90 VAL N N 90 122.095 119.813 2.282 1
1 1137 . 12 1 1 A 91 91 PHE H H 91 8.763 8.608 0.155 1
1 1138 . 12 1 1 A 91 91 PHE HA H 91 3.584 3.933 -0.349 1
1 1141 . 12 1 1 A 91 91 PHE C C 91 178.386 177.341 1.045 1
1 1142 . 12 1 1 A 91 91 PHE CA C 91 62.523 60.450 2.073 1
1 1143 . 12 1 1 A 91 91 PHE CB C 91 39.528 38.331 1.197 1
1 1144 . 12 1 1 A 91 91 PHE N N 91 121.769 120.023 1.746 1
1 1145 . 12 1 1 A 92 92 LYS H H 92 8.237 8.390 -0.153 1
1 1146 . 12 1 1 A 92 92 LYS HA H 92 4.217 4.248 -0.031 1
1 1153 . 12 1 1 A 92 92 LYS C C 92 179.621 179.332 0.289 1
1 1154 . 12 1 1 A 92 92 LYS CA C 92 58.597 60.045 -1.448 1
1 1155 . 12 1 1 A 92 92 LYS CB C 92 32.290 32.721 -0.431 1
1 1159 . 12 1 1 A 92 92 LYS N N 92 121.441 118.236 3.205 1
1 1160 . 12 1 1 A 93 93 LYS H H 93 8.013 7.574 0.439 1
1 1161 . 12 1 1 A 93 93 LYS HA H 93 3.956 4.043 -0.087 1
1 1169 . 12 1 1 A 93 93 LYS C C 93 178.611 179.225 -0.614 1
1 1170 . 12 1 1 A 93 93 LYS CA C 93 59.356 58.962 0.394 1
1 1171 . 12 1 1 A 93 93 LYS CB C 93 31.785 31.690 0.095 1
1 1175 . 12 1 1 A 93 93 LYS N N 93 122.286 118.226 4.060 1
1 1176 . 12 1 1 A 94 94 CYS H H 94 7.818 7.842 -0.024 1
1 1177 . 12 1 1 A 94 94 CYS HA H 94 4.224 4.056 0.168 1
1 1180 . 12 1 1 A 94 94 CYS C C 94 176.440 176.238 0.202 1
1 1181 . 12 1 1 A 94 94 CYS CA C 94 62.517 62.687 -0.170 1
1 1182 . 12 1 1 A 94 94 CYS CB C 94 28.104 27.159 0.945 1
1 1183 . 12 1 1 A 94 94 CYS N N 94 113.581 118.604 -5.023 1
1 1184 . 12 1 1 A 95 95 THR H H 95 8.038 7.224 0.814 1
1 1185 . 12 1 1 A 95 95 THR HA H 95 4.397 4.314 0.083 1
1 1190 . 12 1 1 A 95 95 THR C C 95 176.237 175.866 0.371 1
1 1191 . 12 1 1 A 95 95 THR CA C 95 62.507 61.661 0.846 1
1 1192 . 12 1 1 A 95 95 THR CB C 95 71.481 70.355 1.126 1
1 1194 . 12 1 1 A 95 95 THR N N 95 106.903 108.243 -1.340 1
1 1195 . 12 1 1 A 96 96 GLY H H 96 8.526 8.992 -0.466 1
1 1196 . 12 1 1 A 96 96 GLY HA2 H 96 3.724 3.832 -0.108 1
1 1197 . 12 1 1 A 96 96 GLY HA3 H 96 4.374 3.841 0.533 1
1 1198 . 12 1 1 A 96 96 GLY C C 96 172.550 173.328 -0.778 1
1 1199 . 12 1 1 A 96 96 GLY CA C 96 45.264 45.267 -0.003 1
1 1200 . 12 1 1 A 96 96 GLY N N 96 112.762 111.507 1.255 1
1 1201 . 12 1 1 A 97 97 ALA H H 97 8.560 7.424 1.136 1
1 1202 . 12 1 1 A 97 97 ALA HA H 97 4.841 4.801 0.040 1
1 1206 . 12 1 1 A 97 97 ALA C C 97 175.280 176.236 -0.956 1
1 1207 . 12 1 1 A 97 97 ALA CA C 97 50.176 51.039 -0.863 1
1 1208 . 12 1 1 A 97 97 ALA CB C 97 22.551 22.862 -0.311 1
1 1209 . 12 1 1 A 97 97 ALA N N 97 125.656 120.849 4.807 1
1 1210 . 12 1 1 A 98 98 SER H H 98 8.817 8.639 0.178 1
1 1211 . 12 1 1 A 98 98 SER HA H 98 4.656 4.747 -0.091 1
1 1212 . 12 1 1 A 98 98 SER CA C 98 56.612 56.864 -0.252 1
1 1213 . 12 1 1 A 98 98 SER N N 98 114.919 115.195 -0.276 1
1 1214 . 12 1 1 A 99 99 PRO HA H 99 3.500 4.525 -1.025 1
1 1220 . 12 1 1 A 99 99 PRO C C 99 177.585 177.964 -0.379 1
1 1221 . 12 1 1 A 99 99 PRO CA C 99 66.202 64.500 1.702 1
1 1222 . 12 1 1 A 99 99 PRO CB C 99 32.030 31.932 0.098 1
1 1225 . 12 1 1 A 100 100 SER H H 100 8.254 8.237 0.017 1
1 1226 . 12 1 1 A 100 100 SER HA H 100 4.029 4.294 -0.265 1
1 1227 . 12 1 1 A 100 100 SER C C 100 177.441 177.215 0.226 1
1 1228 . 12 1 1 A 100 100 SER CA C 100 61.891 61.015 0.876 1
1 1229 . 12 1 1 A 100 100 SER N N 100 111.230 112.221 -0.991 1
1 1230 . 12 1 1 A 101 101 GLU H H 101 7.848 7.924 -0.076 1
1 1231 . 12 1 1 A 101 101 GLU HA H 101 4.021 4.083 -0.062 1
1 1236 . 12 1 1 A 101 101 GLU C C 101 179.288 178.723 0.565 1
1 1237 . 12 1 1 A 101 101 GLU CA C 101 58.822 59.380 -0.558 1
1 1238 . 12 1 1 A 101 101 GLU CB C 101 29.846 29.676 0.170 1
1 1240 . 12 1 1 A 101 101 GLU N N 101 125.150 121.643 3.507 1
1 1241 . 12 1 1 A 102 102 PHE H H 102 8.923 8.079 0.844 1
1 1242 . 12 1 1 A 102 102 PHE HA H 102 4.155 4.144 0.011 1
1 1245 . 12 1 1 A 102 102 PHE C C 102 178.343 177.723 0.620 1
1 1246 . 12 1 1 A 102 102 PHE CA C 102 61.315 61.687 -0.372 1
1 1247 . 12 1 1 A 102 102 PHE CB C 102 40.083 39.159 0.924 1
1 1248 . 12 1 1 A 102 102 PHE N N 102 121.281 120.529 0.752 1
1 1249 . 12 1 1 A 103 103 ARG H H 103 8.210 8.274 -0.064 1
1 1250 . 12 1 1 A 103 103 ARG HA H 103 3.830 3.986 -0.156 1
1 1257 . 12 1 1 A 103 103 ARG C C 103 177.602 179.407 -1.805 1
1 1258 . 12 1 1 A 103 103 ARG CA C 103 59.235 59.775 -0.540 1
1 1261 . 12 1 1 A 103 103 ARG N N 103 119.223 118.297 0.926 1
1 1262 . 12 1 1 A 104 104 ALA H H 104 7.905 7.137 0.768 1
1 1263 . 12 1 1 A 104 104 ALA HA H 104 4.186 4.242 -0.056 1
1 1267 . 12 1 1 A 104 104 ALA C C 104 179.126 177.846 1.280 1
1 1268 . 12 1 1 A 104 104 ALA CA C 104 54.188 52.508 1.680 1
1 1269 . 12 1 1 A 104 104 ALA CB C 104 18.254 19.495 -1.241 1
1 1270 . 12 1 1 A 104 104 ALA N N 104 120.546 118.709 1.837 1
1 1271 . 12 1 1 A 105 105 GLY H H 105 7.676 7.666 0.010 1
1 1272 . 12 1 1 A 105 105 GLY HA2 H 105 3.849 3.713 0.136 1
1 1273 . 12 1 1 A 105 105 GLY HA3 H 105 4.052 3.828 0.224 1
1 1274 . 12 1 1 A 105 105 GLY C C 105 174.515 174.179 0.336 1
1 1275 . 12 1 1 A 105 105 GLY CA C 105 45.317 44.989 0.328 1
1 1276 . 12 1 1 A 105 105 GLY N N 105 104.677 106.524 -1.847 1
1 1277 . 12 1 1 A 106 106 CYS H H 106 7.599 7.882 -0.283 1
1 1278 . 12 1 1 A 106 106 CYS HA H 106 4.447 4.428 0.019 1
1 1281 . 12 1 1 A 106 106 CYS C C 106 173.823 174.687 -0.864 1
1 1282 . 12 1 1 A 106 106 CYS CA C 106 59.123 59.560 -0.437 1
1 1283 . 12 1 1 A 106 106 CYS CB C 106 28.004 28.479 -0.475 1
1 1284 . 12 1 1 A 106 106 CYS N N 106 118.321 119.987 -1.666 1
1 14 . 13 1 1 A 2 2 ASP H H 2 8.989 8.413 0.576 1
1 15 . 13 1 1 A 2 2 ASP HA H 2 4.662 4.648 0.014 1
1 18 . 13 1 1 A 2 2 ASP C C 2 177.024 177.246 -0.222 1
1 19 . 13 1 1 A 2 2 ASP CA C 2 54.092 54.387 -0.295 1
1 20 . 13 1 1 A 2 2 ASP CB C 2 42.743 42.813 -0.070 1
1 21 . 13 1 1 A 2 2 ASP N N 2 126.287 124.702 1.585 1
1 22 . 13 1 1 A 3 3 ASN H H 3 9.165 8.777 0.388 1
1 23 . 13 1 1 A 3 3 ASN HA H 3 4.446 4.363 0.083 1
1 28 . 13 1 1 A 3 3 ASN C C 3 177.306 177.641 -0.335 1
1 29 . 13 1 1 A 3 3 ASN CA C 3 56.355 57.031 -0.676 1
1 30 . 13 1 1 A 3 3 ASN CB C 3 38.382 38.033 0.349 1
1 32 . 13 1 1 A 3 3 ASN N N 3 124.055 123.046 1.009 1
1 34 . 13 1 1 A 4 4 ARG H H 4 9.092 8.152 0.940 1
1 35 . 13 1 1 A 4 4 ARG HA H 4 4.183 4.031 0.152 1
1 42 . 13 1 1 A 4 4 ARG C C 4 178.824 178.563 0.261 1
1 43 . 13 1 1 A 4 4 ARG CA C 4 59.401 58.847 0.554 1
1 44 . 13 1 1 A 4 4 ARG CB C 4 29.437 29.911 -0.474 1
1 47 . 13 1 1 A 4 4 ARG N N 4 119.970 118.127 1.843 1
1 48 . 13 1 1 A 5 5 VAL H H 5 7.588 8.083 -0.495 1
1 49 . 13 1 1 A 5 5 VAL HA H 5 3.458 3.503 -0.045 1
1 57 . 13 1 1 A 5 5 VAL C C 5 177.573 178.281 -0.708 1
1 58 . 13 1 1 A 5 5 VAL CA C 5 66.543 66.777 -0.234 1
1 59 . 13 1 1 A 5 5 VAL CB C 5 31.294 31.204 0.090 1
1 62 . 13 1 1 A 5 5 VAL N N 5 119.312 120.536 -1.224 1
1 63 . 13 1 1 A 6 6 ARG H H 6 7.920 7.545 0.375 1
1 64 . 13 1 1 A 6 6 ARG HA H 6 3.860 3.918 -0.058 1
1 71 . 13 1 1 A 6 6 ARG C C 6 179.380 178.985 0.395 1
1 72 . 13 1 1 A 6 6 ARG CA C 6 60.197 59.575 0.622 1
1 73 . 13 1 1 A 6 6 ARG CB C 6 29.818 29.682 0.136 1
1 76 . 13 1 1 A 6 6 ARG N N 6 120.863 119.833 1.030 1
1 77 . 13 1 1 A 7 7 GLU H H 7 8.262 7.883 0.379 1
1 78 . 13 1 1 A 7 7 GLU HA H 7 4.241 4.179 0.062 1
1 83 . 13 1 1 A 7 7 GLU C C 7 179.131 179.205 -0.074 1
1 84 . 13 1 1 A 7 7 GLU CA C 7 58.770 59.218 -0.448 1
1 85 . 13 1 1 A 7 7 GLU CB C 7 28.883 28.919 -0.036 1
1 87 . 13 1 1 A 7 7 GLU N N 7 119.166 119.172 -0.006 1
1 88 . 13 1 1 A 8 8 ALA H H 8 8.421 8.264 0.157 1
1 89 . 13 1 1 A 8 8 ALA HA H 8 4.046 4.459 -0.413 1
1 93 . 13 1 1 A 8 8 ALA C C 8 179.202 179.880 -0.678 1
1 94 . 13 1 1 A 8 8 ALA CA C 8 55.610 55.251 0.359 1
1 95 . 13 1 1 A 8 8 ALA CB C 8 18.512 18.505 0.007 1
1 96 . 13 1 1 A 8 8 ALA N N 8 123.947 122.568 1.379 1
1 97 . 13 1 1 A 9 9 CYS H H 9 8.490 8.780 -0.290 1
1 98 . 13 1 1 A 9 9 CYS HA H 9 3.767 4.376 -0.609 1
1 101 . 13 1 1 A 9 9 CYS C C 9 176.858 177.229 -0.371 1
1 102 . 13 1 1 A 9 9 CYS CA C 9 64.480 61.300 3.180 1
1 103 . 13 1 1 A 9 9 CYS CB C 9 26.690 27.176 -0.486 1
1 104 . 13 1 1 A 9 9 CYS N N 9 116.232 115.823 0.409 1
1 105 . 13 1 1 A 10 10 GLN H H 10 8.088 8.193 -0.105 1
1 106 . 13 1 1 A 10 10 GLN HA H 10 4.022 4.199 -0.177 1
1 113 . 13 1 1 A 10 10 GLN C C 10 177.140 178.401 -1.261 1
1 114 . 13 1 1 A 10 10 GLN CA C 10 58.804 58.673 0.131 1
1 115 . 13 1 1 A 10 10 GLN CB C 10 28.299 28.393 -0.094 1
1 118 . 13 1 1 A 10 10 GLN N N 10 120.817 121.698 -0.881 1
1 120 . 13 1 1 A 11 11 TYR H H 11 8.367 8.301 0.066 1
1 121 . 13 1 1 A 11 11 TYR HA H 11 4.308 4.138 0.170 1
1 128 . 13 1 1 A 11 11 TYR C C 11 178.986 177.047 1.939 1
1 129 . 13 1 1 A 11 11 TYR CA C 11 61.850 61.471 0.379 1
1 130 . 13 1 1 A 11 11 TYR CB C 11 38.653 38.636 0.017 1
1 135 . 13 1 1 A 11 11 TYR N N 11 120.419 121.212 -0.793 1
1 136 . 13 1 1 A 12 12 ILE H H 12 8.886 8.064 0.822 1
1 137 . 13 1 1 A 12 12 ILE HA H 12 3.700 3.294 0.406 1
1 147 . 13 1 1 A 12 12 ILE C C 12 179.352 177.976 1.376 1
1 148 . 13 1 1 A 12 12 ILE CA C 12 65.621 65.299 0.322 1
1 149 . 13 1 1 A 12 12 ILE CB C 12 38.203 37.978 0.225 1
1 153 . 13 1 1 A 12 12 ILE N N 12 119.720 121.500 -1.780 1
1 154 . 13 1 1 A 13 13 SER H H 13 8.740 8.233 0.507 1
1 155 . 13 1 1 A 13 13 SER HA H 13 4.753 4.128 0.625 1
1 158 . 13 1 1 A 13 13 SER C C 13 176.355 176.455 -0.100 1
1 159 . 13 1 1 A 13 13 SER CA C 13 62.551 61.419 1.132 1
1 160 . 13 1 1 A 13 13 SER CB C 13 62.468 62.320 0.148 1
1 161 . 13 1 1 A 13 13 SER N N 13 116.217 115.252 0.965 1
1 162 . 13 1 1 A 14 14 ASP H H 14 8.426 7.919 0.507 1
1 163 . 13 1 1 A 14 14 ASP HA H 14 4.438 4.380 0.058 1
1 166 . 13 1 1 A 14 14 ASP C C 14 176.838 177.484 -0.646 1
1 167 . 13 1 1 A 14 14 ASP CA C 14 55.988 56.668 -0.680 1
1 168 . 13 1 1 A 14 14 ASP CB C 14 40.500 40.834 -0.334 1
1 169 . 13 1 1 A 14 14 ASP N N 14 121.201 122.883 -1.682 1
1 170 . 13 1 1 A 15 15 HIS H H 15 7.530 7.838 -0.308 1
1 171 . 13 1 1 A 15 15 HIS HA H 15 4.661 4.752 -0.091 1
1 176 . 13 1 1 A 15 15 HIS C C 15 175.451 175.542 -0.091 1
1 177 . 13 1 1 A 15 15 HIS CA C 15 55.320 55.048 0.272 1
1 178 . 13 1 1 A 15 15 HIS CB C 15 28.275 29.646 -1.371 1
1 181 . 13 1 1 A 15 15 HIS N N 15 116.777 114.929 1.848 1
1 182 . 13 1 1 A 16 16 LEU H H 16 7.271 7.461 -0.190 1
1 183 . 13 1 1 A 16 16 LEU HA H 16 3.812 3.690 0.122 1
1 193 . 13 1 1 A 16 16 LEU C C 16 176.627 178.237 -1.610 1
1 194 . 13 1 1 A 16 16 LEU CA C 16 58.076 57.802 0.274 1
1 195 . 13 1 1 A 16 16 LEU CB C 16 42.531 41.149 1.382 1
1 199 . 13 1 1 A 16 16 LEU N N 16 122.531 122.470 0.061 1
1 200 . 13 1 1 A 17 17 ALA H H 17 8.243 7.299 0.944 1
1 201 . 13 1 1 A 17 17 ALA HA H 17 3.937 4.167 -0.230 1
1 205 . 13 1 1 A 17 17 ALA C C 17 177.131 176.779 0.352 1
1 206 . 13 1 1 A 17 17 ALA CA C 17 51.802 52.334 -0.532 1
1 207 . 13 1 1 A 17 17 ALA CB C 17 18.473 19.833 -1.360 1
1 208 . 13 1 1 A 17 17 ALA N N 17 116.354 119.243 -2.889 1
1 209 . 13 1 1 A 18 18 ASP H H 18 7.488 7.447 0.041 1
1 210 . 13 1 1 A 18 18 ASP HA H 18 4.455 4.654 -0.199 1
1 213 . 13 1 1 A 18 18 ASP C C 18 177.370 176.041 1.329 1
1 214 . 13 1 1 A 18 18 ASP CA C 18 54.571 53.939 0.632 1
1 215 . 13 1 1 A 18 18 ASP CB C 18 40.521 41.294 -0.773 1
1 216 . 13 1 1 A 18 18 ASP N N 18 119.230 119.115 0.115 1
1 217 . 13 1 1 A 19 19 SER H H 19 8.793 8.786 0.007 1
1 218 . 13 1 1 A 19 19 SER HA H 19 4.424 4.510 -0.086 1
1 221 . 13 1 1 A 19 19 SER C C 19 174.779 175.256 -0.477 1
1 222 . 13 1 1 A 19 19 SER CA C 19 59.706 60.325 -0.619 1
1 223 . 13 1 1 A 19 19 SER CB C 19 63.351 63.923 -0.572 1
1 224 . 13 1 1 A 19 19 SER N N 19 119.892 117.751 2.141 1
1 225 . 13 1 1 A 20 20 ASN H H 20 8.520 8.133 0.387 1
1 226 . 13 1 1 A 20 20 ASN HA H 20 4.869 4.880 -0.011 1
1 231 . 13 1 1 A 20 20 ASN C C 20 173.838 174.484 -0.646 1
1 232 . 13 1 1 A 20 20 ASN CA C 20 52.586 53.184 -0.598 1
1 233 . 13 1 1 A 20 20 ASN CB C 20 38.799 37.651 1.148 1
1 235 . 13 1 1 A 20 20 ASN N N 20 119.769 119.827 -0.058 1
1 237 . 13 1 1 A 21 21 PHE H H 21 8.082 8.664 -0.582 1
1 238 . 13 1 1 A 21 21 PHE HA H 21 4.397 5.319 -0.922 1
1 246 . 13 1 1 A 21 21 PHE C C 21 173.520 173.070 0.450 1
1 247 . 13 1 1 A 21 21 PHE CA C 21 58.672 56.054 2.618 1
1 248 . 13 1 1 A 21 21 PHE CB C 21 40.704 42.230 -1.526 1
1 254 . 13 1 1 A 21 21 PHE N N 21 121.875 125.674 -3.799 1
1 255 . 13 1 1 A 22 22 ASP H H 22 7.570 8.660 -1.090 1
1 256 . 13 1 1 A 22 22 ASP HA H 22 4.563 4.824 -0.261 1
1 259 . 13 1 1 A 22 22 ASP C C 22 175.674 175.994 -0.320 1
1 260 . 13 1 1 A 22 22 ASP CA C 22 52.049 52.312 -0.263 1
1 261 . 13 1 1 A 22 22 ASP CB C 22 43.023 42.059 0.964 1
1 262 . 13 1 1 A 22 22 ASP N N 22 126.780 128.027 -1.247 1
1 263 . 13 1 1 A 23 23 ILE H H 23 8.720 8.426 0.294 1
1 264 . 13 1 1 A 23 23 ILE HA H 23 3.555 3.586 -0.031 1
1 274 . 13 1 1 A 23 23 ILE C C 23 176.441 177.278 -0.837 1
1 275 . 13 1 1 A 23 23 ILE CA C 23 63.650 63.459 0.191 1
1 276 . 13 1 1 A 23 23 ILE CB C 23 37.741 37.860 -0.119 1
1 280 . 13 1 1 A 23 23 ILE N N 23 124.815 126.998 -2.183 1
1 281 . 13 1 1 A 24 24 ALA H H 24 8.543 8.202 0.341 1
1 282 . 13 1 1 A 24 24 ALA HA H 24 3.917 4.060 -0.143 1
1 286 . 13 1 1 A 24 24 ALA C C 24 180.227 179.648 0.579 1
1 287 . 13 1 1 A 24 24 ALA CA C 24 55.413 55.348 0.065 1
1 288 . 13 1 1 A 24 24 ALA CB C 24 17.760 17.811 -0.051 1
1 289 . 13 1 1 A 24 24 ALA N N 24 123.943 124.225 -0.282 1
1 290 . 13 1 1 A 25 25 SER H H 25 7.844 7.889 -0.045 1
1 291 . 13 1 1 A 25 25 SER HA H 25 4.246 4.073 0.173 1
1 293 . 13 1 1 A 25 25 SER C C 25 176.667 176.270 0.397 1
1 294 . 13 1 1 A 25 25 SER CA C 25 61.238 61.766 -0.528 1
1 295 . 13 1 1 A 25 25 SER CB C 25 62.402 63.001 -0.599 1
1 296 . 13 1 1 A 25 25 SER N N 25 114.143 113.443 0.700 1
1 297 . 13 1 1 A 26 26 VAL H H 26 7.086 7.551 -0.465 1
1 298 . 13 1 1 A 26 26 VAL HA H 26 3.198 3.741 -0.543 1
1 306 . 13 1 1 A 26 26 VAL C C 26 176.670 178.134 -1.464 1
1 307 . 13 1 1 A 26 26 VAL CA C 26 64.809 66.834 -2.025 1
1 308 . 13 1 1 A 26 26 VAL CB C 26 31.274 31.616 -0.342 1
1 311 . 13 1 1 A 26 26 VAL N N 26 122.369 122.116 0.253 1
1 312 . 13 1 1 A 27 27 ALA H H 27 8.043 7.871 0.172 1
1 313 . 13 1 1 A 27 27 ALA HA H 27 3.775 3.997 -0.222 1
1 317 . 13 1 1 A 27 27 ALA C C 27 178.948 179.496 -0.548 1
1 318 . 13 1 1 A 27 27 ALA CA C 27 55.507 55.529 -0.022 1
1 319 . 13 1 1 A 27 27 ALA CB C 27 17.412 17.733 -0.321 1
1 320 . 13 1 1 A 27 27 ALA N N 27 122.045 122.118 -0.073 1
1 321 . 13 1 1 A 28 28 GLN H H 28 8.089 8.134 -0.045 1
1 322 . 13 1 1 A 28 28 GLN HA H 28 4.053 4.049 0.004 1
1 329 . 13 1 1 A 28 28 GLN C C 28 179.289 178.442 0.847 1
1 330 . 13 1 1 A 28 28 GLN CA C 28 58.625 58.730 -0.105 1
1 331 . 13 1 1 A 28 28 GLN CB C 28 28.155 28.240 -0.085 1
1 334 . 13 1 1 A 28 28 GLN N N 28 116.168 118.488 -2.320 1
1 336 . 13 1 1 A 29 29 HIS H H 29 7.454 8.025 -0.571 1
1 337 . 13 1 1 A 29 29 HIS HA H 29 4.209 4.072 0.137 1
1 342 . 13 1 1 A 29 29 HIS C C 29 175.895 176.756 -0.861 1
1 343 . 13 1 1 A 29 29 HIS CA C 29 59.132 59.373 -0.241 1
1 344 . 13 1 1 A 29 29 HIS CB C 29 28.947 29.828 -0.881 1
1 347 . 13 1 1 A 29 29 HIS N N 29 118.117 120.106 -1.989 1
1 348 . 13 1 1 A 30 30 VAL H H 30 7.309 6.979 0.330 1
1 349 . 13 1 1 A 30 30 VAL HA H 30 4.441 4.079 0.362 1
1 357 . 13 1 1 A 30 30 VAL C C 30 173.598 174.300 -0.702 1
1 358 . 13 1 1 A 30 30 VAL CA C 30 59.948 60.364 -0.416 1
1 359 . 13 1 1 A 30 30 VAL CB C 30 31.067 30.879 0.188 1
1 362 . 13 1 1 A 30 30 VAL N N 30 106.791 109.630 -2.839 1
1 363 . 13 1 1 A 31 31 CYS H H 31 7.837 8.025 -0.188 1
1 364 . 13 1 1 A 31 31 CYS HA H 31 3.929 4.096 -0.167 1
1 367 . 13 1 1 A 31 31 CYS C C 31 173.679 173.539 0.140 1
1 368 . 13 1 1 A 31 31 CYS CA C 31 59.814 60.408 -0.594 1
1 369 . 13 1 1 A 31 31 CYS CB C 31 24.898 26.070 -1.172 1
1 370 . 13 1 1 A 31 31 CYS N N 31 116.363 117.135 -0.772 1
1 371 . 13 1 1 A 32 32 LEU H H 32 8.061 7.610 0.451 1
1 372 . 13 1 1 A 32 32 LEU HA H 32 4.871 4.800 0.071 1
1 382 . 13 1 1 A 32 32 LEU C C 32 176.243 175.206 1.037 1
1 383 . 13 1 1 A 32 32 LEU CA C 32 52.555 53.236 -0.681 1
1 384 . 13 1 1 A 32 32 LEU CB C 32 48.238 46.499 1.739 1
1 388 . 13 1 1 A 32 32 LEU N N 32 118.159 120.558 -2.399 1
1 389 . 13 1 1 A 33 33 SER H H 33 8.221 8.705 -0.484 1
1 390 . 13 1 1 A 33 33 SER N N 33 116.259 117.483 -1.224 1
1 391 . 13 1 1 A 34 34 PRO HA H 34 3.951 4.367 -0.416 1
1 398 . 13 1 1 A 34 34 PRO C C 34 178.473 178.358 0.115 1
1 399 . 13 1 1 A 34 34 PRO CA C 34 66.404 64.862 1.542 1
1 400 . 13 1 1 A 34 34 PRO CB C 34 31.712 32.077 -0.365 1
1 403 . 13 1 1 A 35 35 SER H H 35 8.343 8.264 0.079 1
1 404 . 13 1 1 A 35 35 SER HA H 35 4.192 4.228 -0.036 1
1 406 . 13 1 1 A 35 35 SER C C 35 177.361 177.171 0.190 1
1 407 . 13 1 1 A 35 35 SER CA C 35 61.358 61.296 0.062 1
1 408 . 13 1 1 A 35 35 SER CB C 35 62.140 62.655 -0.515 1
1 409 . 13 1 1 A 35 35 SER N N 35 111.653 112.692 -1.039 1
1 410 . 13 1 1 A 36 36 ARG H H 36 7.868 7.932 -0.064 1
1 411 . 13 1 1 A 36 36 ARG HA H 36 4.243 4.104 0.139 1
1 418 . 13 1 1 A 36 36 ARG C C 36 178.850 179.188 -0.338 1
1 419 . 13 1 1 A 36 36 ARG CA C 36 58.714 59.030 -0.316 1
1 420 . 13 1 1 A 36 36 ARG CB C 36 29.804 29.951 -0.147 1
1 423 . 13 1 1 A 36 36 ARG N N 36 124.303 122.058 2.245 1
1 424 . 13 1 1 A 37 37 LEU H H 37 8.593 7.874 0.719 1
1 425 . 13 1 1 A 37 37 LEU HA H 37 4.052 4.134 -0.082 1
1 435 . 13 1 1 A 37 37 LEU C C 37 177.894 178.476 -0.582 1
1 436 . 13 1 1 A 37 37 LEU CA C 37 58.289 58.380 -0.091 1
1 437 . 13 1 1 A 37 37 LEU CB C 37 40.775 41.653 -0.878 1
1 441 . 13 1 1 A 37 37 LEU N N 37 119.319 121.889 -2.570 1
1 442 . 13 1 1 A 38 38 SER H H 38 8.478 8.455 0.023 1
1 443 . 13 1 1 A 38 38 SER HA H 38 4.066 4.245 -0.179 1
1 444 . 13 1 1 A 38 38 SER C C 38 176.577 176.454 0.123 1
1 445 . 13 1 1 A 38 38 SER CA C 38 62.824 61.670 1.154 1
1 446 . 13 1 1 A 38 38 SER N N 38 113.612 115.035 -1.423 1
1 447 . 13 1 1 A 39 39 HIS H H 39 7.983 7.637 0.346 1
1 448 . 13 1 1 A 39 39 HIS HA H 39 4.403 4.276 0.127 1
1 453 . 13 1 1 A 39 39 HIS C C 39 177.138 176.904 0.234 1
1 454 . 13 1 1 A 39 39 HIS CA C 39 59.316 60.064 -0.748 1
1 455 . 13 1 1 A 39 39 HIS CB C 39 29.226 30.190 -0.964 1
1 458 . 13 1 1 A 39 39 HIS N N 39 119.938 122.222 -2.284 1
1 459 . 13 1 1 A 40 40 LEU H H 40 8.432 8.192 0.240 1
1 460 . 13 1 1 A 40 40 LEU HA H 40 4.045 3.973 0.072 1
1 470 . 13 1 1 A 40 40 LEU C C 40 178.876 179.132 -0.256 1
1 471 . 13 1 1 A 40 40 LEU CA C 40 57.990 57.785 0.205 1
1 472 . 13 1 1 A 40 40 LEU CB C 40 42.609 41.771 0.838 1
1 476 . 13 1 1 A 40 40 LEU N N 40 120.053 118.726 1.327 1
1 477 . 13 1 1 A 41 41 PHE H H 41 8.937 8.728 0.209 1
1 478 . 13 1 1 A 41 41 PHE HA H 41 3.736 3.882 -0.146 1
1 486 . 13 1 1 A 41 41 PHE C C 41 178.022 177.442 0.580 1
1 487 . 13 1 1 A 41 41 PHE CA C 41 62.523 61.631 0.892 1
1 488 . 13 1 1 A 41 41 PHE CB C 41 39.534 39.015 0.519 1
1 494 . 13 1 1 A 41 41 PHE N N 41 120.491 119.909 0.582 1
1 495 . 13 1 1 A 42 42 ARG H H 42 8.009 8.208 -0.199 1
1 496 . 13 1 1 A 42 42 ARG HA H 42 4.021 4.383 -0.362 1
1 502 . 13 1 1 A 42 42 ARG C C 42 179.850 178.151 1.699 1
1 503 . 13 1 1 A 42 42 ARG CA C 42 59.243 59.139 0.104 1
1 504 . 13 1 1 A 42 42 ARG CB C 42 29.748 29.769 -0.021 1
1 507 . 13 1 1 A 42 42 ARG N N 42 117.688 118.911 -1.223 1
1 508 . 13 1 1 A 43 43 GLN H H 43 8.286 7.549 0.737 1
1 509 . 13 1 1 A 43 43 GLN HA H 43 4.006 3.949 0.057 1
1 516 . 13 1 1 A 43 43 GLN C C 43 177.917 178.246 -0.329 1
1 517 . 13 1 1 A 43 43 GLN CA C 43 58.715 58.909 -0.194 1
1 518 . 13 1 1 A 43 43 GLN CB C 43 29.345 28.746 0.599 1
1 521 . 13 1 1 A 43 43 GLN N N 43 118.179 118.699 -0.520 1
1 523 . 13 1 1 A 44 44 GLN H H 44 8.296 8.192 0.104 1
1 524 . 13 1 1 A 44 44 GLN HA H 44 4.208 4.091 0.117 1
1 531 . 13 1 1 A 44 44 GLN C C 44 177.314 177.412 -0.098 1
1 532 . 13 1 1 A 44 44 GLN CA C 44 57.913 58.091 -0.178 1
1 533 . 13 1 1 A 44 44 GLN CB C 44 29.027 28.584 0.443 1
1 536 . 13 1 1 A 44 44 GLN N N 44 114.928 117.924 -2.996 1
1 538 . 13 1 1 A 45 45 LEU H H 45 8.463 7.975 0.488 1
1 539 . 13 1 1 A 45 45 LEU HA H 45 4.567 4.230 0.337 1
1 549 . 13 1 1 A 45 45 LEU C C 45 178.381 177.253 1.128 1
1 550 . 13 1 1 A 45 45 LEU CA C 45 54.564 55.071 -0.507 1
1 551 . 13 1 1 A 45 45 LEU CB C 45 43.031 42.470 0.561 1
1 555 . 13 1 1 A 45 45 LEU N N 45 117.028 117.573 -0.545 1
1 556 . 13 1 1 A 46 46 GLY H H 46 7.852 8.899 -1.047 1
1 557 . 13 1 1 A 46 46 GLY HA2 H 46 4.005 3.869 0.136 1
1 558 . 13 1 1 A 46 46 GLY HA3 H 46 4.167 3.879 0.288 1
1 559 . 13 1 1 A 46 46 GLY C C 46 173.114 173.474 -0.360 1
1 560 . 13 1 1 A 46 46 GLY CA C 46 46.080 45.977 0.103 1
1 561 . 13 1 1 A 46 46 GLY N N 46 108.569 108.579 -0.010 1
1 562 . 13 1 1 A 47 47 ILE H H 47 7.281 7.543 -0.262 1
1 563 . 13 1 1 A 47 47 ILE HA H 47 4.735 4.872 -0.137 1
1 573 . 13 1 1 A 47 47 ILE C C 47 172.231 174.574 -2.343 1
1 574 . 13 1 1 A 47 47 ILE CA C 47 59.240 58.908 0.332 1
1 575 . 13 1 1 A 47 47 ILE CB C 47 42.470 41.995 0.475 1
1 579 . 13 1 1 A 47 47 ILE N N 47 115.396 115.886 -0.490 1
1 580 . 13 1 1 A 48 48 SER H H 48 8.298 8.717 -0.419 1
1 581 . 13 1 1 A 48 48 SER HA H 48 4.725 4.743 -0.018 1
1 584 . 13 1 1 A 48 48 SER C C 48 174.600 175.694 -1.094 1
1 585 . 13 1 1 A 48 48 SER CA C 48 57.092 58.242 -1.150 1
1 586 . 13 1 1 A 48 48 SER CB C 48 65.286 63.933 1.353 1
1 587 . 13 1 1 A 48 48 SER N N 48 115.685 118.724 -3.039 1
1 588 . 13 1 1 A 49 49 VAL H H 49 8.296 8.855 -0.559 1
1 589 . 13 1 1 A 49 49 VAL HA H 49 3.081 3.940 -0.859 1
1 597 . 13 1 1 A 49 49 VAL C C 49 177.888 177.223 0.665 1
1 598 . 13 1 1 A 49 49 VAL CA C 49 65.881 65.856 0.025 1
1 599 . 13 1 1 A 49 49 VAL CB C 49 31.149 31.639 -0.490 1
1 602 . 13 1 1 A 49 49 VAL N N 49 120.175 124.921 -4.746 1
1 603 . 13 1 1 A 50 50 LEU H H 50 8.138 8.202 -0.064 1
1 604 . 13 1 1 A 50 50 LEU HA H 50 4.011 4.128 -0.117 1
1 614 . 13 1 1 A 50 50 LEU C C 50 180.412 179.948 0.464 1
1 615 . 13 1 1 A 50 50 LEU CA C 50 57.962 58.191 -0.229 1
1 616 . 13 1 1 A 50 50 LEU CB C 50 41.224 41.411 -0.187 1
1 620 . 13 1 1 A 50 50 LEU N N 50 116.998 121.002 -4.004 1
1 621 . 13 1 1 A 51 51 SER H H 51 8.087 8.171 -0.084 1
1 622 . 13 1 1 A 51 51 SER HA H 51 4.279 4.216 0.063 1
1 624 . 13 1 1 A 51 51 SER C C 51 176.081 176.051 0.030 1
1 625 . 13 1 1 A 51 51 SER CA C 51 62.174 62.707 -0.533 1
1 626 . 13 1 1 A 51 51 SER N N 51 117.207 113.913 3.294 1
1 627 . 13 1 1 A 52 52 TRP H H 52 8.913 8.319 0.594 1
1 628 . 13 1 1 A 52 52 TRP HA H 52 4.067 4.351 -0.284 1
1 637 . 13 1 1 A 52 52 TRP C C 52 178.579 177.911 0.668 1
1 638 . 13 1 1 A 52 52 TRP CA C 52 63.288 60.896 2.392 1
1 639 . 13 1 1 A 52 52 TRP CB C 52 29.159 29.691 -0.532 1
1 645 . 13 1 1 A 52 52 TRP N N 52 124.958 124.189 0.769 1
1 647 . 13 1 1 A 53 53 ARG H H 53 8.547 8.549 -0.002 1
1 648 . 13 1 1 A 53 53 ARG HA H 53 3.578 3.561 0.017 1
1 654 . 13 1 1 A 53 53 ARG C C 53 177.290 178.833 -1.543 1
1 655 . 13 1 1 A 53 53 ARG CA C 53 60.443 59.521 0.922 1
1 656 . 13 1 1 A 53 53 ARG CB C 53 30.001 29.804 0.197 1
1 659 . 13 1 1 A 53 53 ARG N N 53 118.356 118.549 -0.193 1
1 660 . 13 1 1 A 54 54 GLU H H 54 8.002 7.801 0.201 1
1 661 . 13 1 1 A 54 54 GLU HA H 54 4.016 4.117 -0.101 1
1 666 . 13 1 1 A 54 54 GLU C C 54 178.460 178.253 0.207 1
1 667 . 13 1 1 A 54 54 GLU CA C 54 59.982 59.601 0.381 1
1 668 . 13 1 1 A 54 54 GLU CB C 54 29.759 29.195 0.564 1
1 670 . 13 1 1 A 54 54 GLU N N 54 118.818 119.059 -0.241 1
1 671 . 13 1 1 A 55 55 ASP H H 55 8.111 8.900 -0.789 1
1 672 . 13 1 1 A 55 55 ASP HA H 55 4.289 4.289 0.000 1
1 675 . 13 1 1 A 55 55 ASP C C 55 179.313 178.279 1.034 1
1 676 . 13 1 1 A 55 55 ASP CA C 55 57.131 57.708 -0.577 1
1 677 . 13 1 1 A 55 55 ASP CB C 55 40.227 42.259 -2.032 1
1 678 . 13 1 1 A 55 55 ASP N N 55 119.156 119.972 -0.816 1
1 679 . 13 1 1 A 56 56 GLN H H 56 8.099 7.522 0.577 1
1 680 . 13 1 1 A 56 56 GLN HA H 56 3.781 3.886 -0.105 1
1 687 . 13 1 1 A 56 56 GLN C C 56 178.700 178.340 0.360 1
1 688 . 13 1 1 A 56 56 GLN CA C 56 57.487 58.736 -1.249 1
1 689 . 13 1 1 A 56 56 GLN CB C 56 27.430 27.819 -0.389 1
1 692 . 13 1 1 A 56 56 GLN N N 56 119.807 118.071 1.736 1
1 694 . 13 1 1 A 57 57 ARG H H 57 8.240 7.660 0.580 1
1 695 . 13 1 1 A 57 57 ARG HA H 57 3.898 3.969 -0.071 1
1 702 . 13 1 1 A 57 57 ARG C C 57 178.185 178.416 -0.231 1
1 703 . 13 1 1 A 57 57 ARG CA C 57 60.671 58.986 1.685 1
1 704 . 13 1 1 A 57 57 ARG CB C 57 31.221 29.601 1.620 1
1 707 . 13 1 1 A 57 57 ARG N N 57 120.129 119.503 0.626 1
1 708 . 13 1 1 A 58 58 ILE H H 58 7.885 8.083 -0.198 1
1 709 . 13 1 1 A 58 58 ILE HA H 58 3.978 3.992 -0.014 1
1 719 . 13 1 1 A 58 58 ILE C C 58 178.357 178.456 -0.099 1
1 720 . 13 1 1 A 58 58 ILE CA C 58 61.684 65.903 -4.219 1
1 721 . 13 1 1 A 58 58 ILE CB C 58 34.538 37.918 -3.380 1
1 725 . 13 1 1 A 58 58 ILE N N 58 118.096 121.208 -3.112 1
1 726 . 13 1 1 A 59 59 SER H H 59 8.563 7.762 0.801 1
1 727 . 13 1 1 A 59 59 SER HA H 59 4.010 4.186 -0.176 1
1 728 . 13 1 1 A 59 59 SER C C 59 177.731 176.925 0.806 1
1 729 . 13 1 1 A 59 59 SER CA C 59 62.459 60.961 1.498 1
1 730 . 13 1 1 A 59 59 SER N N 59 117.208 116.197 1.011 1
1 731 . 13 1 1 A 60 60 GLN H H 60 8.471 8.209 0.262 1
1 732 . 13 1 1 A 60 60 GLN HA H 60 4.228 4.005 0.223 1
1 739 . 13 1 1 A 60 60 GLN C C 60 177.958 177.647 0.311 1
1 740 . 13 1 1 A 60 60 GLN CA C 60 58.233 58.522 -0.289 1
1 741 . 13 1 1 A 60 60 GLN CB C 60 27.288 28.690 -1.402 1
1 744 . 13 1 1 A 60 60 GLN N N 60 121.780 121.347 0.433 1
1 746 . 13 1 1 A 61 61 ALA H H 61 8.504 8.122 0.382 1
1 747 . 13 1 1 A 61 61 ALA HA H 61 3.947 3.987 -0.040 1
1 751 . 13 1 1 A 61 61 ALA C C 61 179.360 179.685 -0.325 1
1 752 . 13 1 1 A 61 61 ALA CA C 61 55.413 54.971 0.442 1
1 753 . 13 1 1 A 61 61 ALA CB C 61 18.124 18.326 -0.202 1
1 754 . 13 1 1 A 61 61 ALA N N 61 122.352 122.039 0.313 1
1 755 . 13 1 1 A 62 62 LYS H H 62 8.776 7.560 1.216 1
1 756 . 13 1 1 A 62 62 LYS HA H 62 3.722 4.081 -0.359 1
1 765 . 13 1 1 A 62 62 LYS C C 62 179.330 179.452 -0.122 1
1 766 . 13 1 1 A 62 62 LYS CA C 62 60.632 59.592 1.040 1
1 767 . 13 1 1 A 62 62 LYS CB C 62 32.580 32.068 0.512 1
1 771 . 13 1 1 A 62 62 LYS N N 62 117.072 117.410 -0.338 1
1 772 . 13 1 1 A 63 63 LEU H H 63 7.670 7.821 -0.151 1
1 773 . 13 1 1 A 63 63 LEU HA H 63 4.233 4.006 0.227 1
1 783 . 13 1 1 A 63 63 LEU C C 63 180.902 178.226 2.676 1
1 784 . 13 1 1 A 63 63 LEU CA C 63 58.446 58.317 0.129 1
1 785 . 13 1 1 A 63 63 LEU CB C 63 41.598 41.540 0.058 1
1 789 . 13 1 1 A 63 63 LEU N N 63 121.196 121.619 -0.423 1
1 790 . 13 1 1 A 64 64 LEU H H 64 8.585 7.500 1.085 1
1 791 . 13 1 1 A 64 64 LEU HA H 64 4.088 3.992 0.096 1
1 801 . 13 1 1 A 64 64 LEU C C 64 180.869 178.796 2.073 1
1 802 . 13 1 1 A 64 64 LEU CA C 64 57.782 58.020 -0.238 1
1 803 . 13 1 1 A 64 64 LEU CB C 64 42.760 41.045 1.715 1
1 807 . 13 1 1 A 64 64 LEU N N 64 121.842 116.455 5.387 1
1 808 . 13 1 1 A 65 65 LEU H H 65 9.100 7.871 1.229 1
1 809 . 13 1 1 A 65 65 LEU HA H 65 4.346 4.230 0.116 1
1 819 . 13 1 1 A 65 65 LEU C C 65 178.659 178.756 -0.097 1
1 820 . 13 1 1 A 65 65 LEU CA C 65 57.408 57.482 -0.074 1
1 821 . 13 1 1 A 65 65 LEU CB C 65 43.013 40.840 2.173 1
1 825 . 13 1 1 A 65 65 LEU N N 65 119.872 122.236 -2.364 1
1 826 . 13 1 1 A 66 66 SER H H 66 8.303 7.968 0.335 1
1 827 . 13 1 1 A 66 66 SER HA H 66 4.211 4.331 -0.120 1
1 829 . 13 1 1 A 66 66 SER C C 66 176.580 175.795 0.785 1
1 830 . 13 1 1 A 66 66 SER CA C 66 60.155 60.807 -0.652 1
1 831 . 13 1 1 A 66 66 SER CB C 66 65.198 62.904 2.294 1
1 832 . 13 1 1 A 66 66 SER N N 66 110.490 114.664 -4.174 1
1 833 . 13 1 1 A 67 67 THR H H 67 7.901 7.955 -0.054 1
1 834 . 13 1 1 A 67 67 THR HA H 67 4.812 4.570 0.242 1
1 839 . 13 1 1 A 67 67 THR C C 67 174.240 173.990 0.250 1
1 840 . 13 1 1 A 67 67 THR CA C 67 62.400 61.608 0.792 1
1 841 . 13 1 1 A 67 67 THR CB C 67 71.512 70.324 1.188 1
1 843 . 13 1 1 A 67 67 THR N N 67 108.414 113.816 -5.402 1
1 844 . 13 1 1 A 68 68 THR H H 68 7.507 7.390 0.117 1
1 845 . 13 1 1 A 68 68 THR HA H 68 5.096 4.802 0.294 1
1 850 . 13 1 1 A 68 68 THR C C 68 174.263 174.082 0.181 1
1 851 . 13 1 1 A 68 68 THR CA C 68 60.124 59.485 0.639 1
1 852 . 13 1 1 A 68 68 THR CB C 68 72.795 71.833 0.962 1
1 854 . 13 1 1 A 68 68 THR N N 68 111.673 112.425 -0.752 1
1 855 . 13 1 1 A 69 69 ARG H H 69 8.767 8.411 0.356 1
1 856 . 13 1 1 A 69 69 ARG HA H 69 4.422 4.678 -0.256 1
1 863 . 13 1 1 A 69 69 ARG C C 69 176.568 176.713 -0.145 1
1 864 . 13 1 1 A 69 69 ARG CA C 69 53.692 55.177 -1.485 1
1 865 . 13 1 1 A 69 69 ARG CB C 69 28.814 30.680 -1.866 1
1 868 . 13 1 1 A 69 69 ARG N N 69 118.034 119.360 -1.326 1
1 869 . 13 1 1 A 70 70 MET H H 70 7.996 7.554 0.442 1
1 870 . 13 1 1 A 70 70 MET HA H 70 4.470 4.548 -0.078 1
1 878 . 13 1 1 A 70 70 MET CA C 70 55.386 55.391 -0.005 1
1 879 . 13 1 1 A 70 70 MET CB C 70 34.080 32.369 1.711 1
1 882 . 13 1 1 A 70 70 MET N N 70 122.491 121.348 1.143 1
1 883 . 13 1 1 A 71 71 PRO HA H 71 4.574 4.521 0.053 1
1 890 . 13 1 1 A 71 71 PRO C C 71 177.204 177.166 0.038 1
1 891 . 13 1 1 A 71 71 PRO CA C 71 62.915 62.429 0.486 1
1 892 . 13 1 1 A 71 71 PRO CB C 71 32.380 32.957 -0.577 1
1 895 . 13 1 1 A 72 72 ILE H H 72 8.782 8.399 0.383 1
1 896 . 13 1 1 A 72 72 ILE HA H 72 3.407 3.819 -0.412 1
1 906 . 13 1 1 A 72 72 ILE C C 72 177.760 178.185 -0.425 1
1 907 . 13 1 1 A 72 72 ILE CA C 72 65.627 64.570 1.057 1
1 908 . 13 1 1 A 72 72 ILE CB C 72 36.771 37.680 -0.909 1
1 912 . 13 1 1 A 72 72 ILE N N 72 124.417 122.368 2.049 1
1 913 . 13 1 1 A 73 73 ALA H H 73 9.109 8.171 0.938 1
1 914 . 13 1 1 A 73 73 ALA HA H 73 3.974 4.047 -0.073 1
1 918 . 13 1 1 A 73 73 ALA C C 73 180.248 179.730 0.518 1
1 919 . 13 1 1 A 73 73 ALA CA C 73 55.232 55.312 -0.080 1
1 920 . 13 1 1 A 73 73 ALA CB C 73 18.338 18.310 0.028 1
1 921 . 13 1 1 A 73 73 ALA N N 73 119.077 123.828 -4.751 1
1 922 . 13 1 1 A 74 74 THR H H 74 7.112 8.005 -0.893 1
1 923 . 13 1 1 A 74 74 THR HA H 74 3.875 3.905 -0.030 1
1 928 . 13 1 1 A 74 74 THR C C 74 175.761 176.403 -0.642 1
1 929 . 13 1 1 A 74 74 THR CA C 74 65.841 66.889 -1.048 1
1 930 . 13 1 1 A 74 74 THR CB C 74 68.248 68.445 -0.197 1
1 932 . 13 1 1 A 74 74 THR N N 74 114.866 114.942 -0.076 1
1 933 . 13 1 1 A 75 75 VAL H H 75 8.087 8.039 0.048 1
1 934 . 13 1 1 A 75 75 VAL HA H 75 3.305 3.515 -0.210 1
1 942 . 13 1 1 A 75 75 VAL C C 75 177.048 177.905 -0.857 1
1 943 . 13 1 1 A 75 75 VAL CA C 75 67.681 66.499 1.182 1
1 944 . 13 1 1 A 75 75 VAL CB C 75 30.831 31.156 -0.325 1
1 947 . 13 1 1 A 75 75 VAL N N 75 123.901 121.444 2.457 1
1 948 . 13 1 1 A 76 76 GLY H H 76 7.673 8.147 -0.474 1
1 949 . 13 1 1 A 76 76 GLY HA2 H 76 2.235 3.190 -0.955 1
1 950 . 13 1 1 A 76 76 GLY HA3 H 76 3.003 3.674 -0.671 1
1 951 . 13 1 1 A 76 76 GLY C C 76 176.562 176.137 0.425 1
1 952 . 13 1 1 A 76 76 GLY CA C 76 46.293 46.789 -0.496 1
1 953 . 13 1 1 A 76 76 GLY N N 76 102.438 107.803 -5.365 1
1 954 . 13 1 1 A 77 77 ARG H H 77 7.760 7.689 0.071 1
1 955 . 13 1 1 A 77 77 ARG HA H 77 3.982 4.006 -0.024 1
1 962 . 13 1 1 A 77 77 ARG C C 77 180.332 179.204 1.128 1
1 963 . 13 1 1 A 77 77 ARG CA C 77 59.550 59.308 0.242 1
1 964 . 13 1 1 A 77 77 ARG CB C 77 30.085 29.522 0.563 1
1 967 . 13 1 1 A 77 77 ARG N N 77 122.228 122.093 0.135 1
1 968 . 13 1 1 A 78 78 ASN H H 78 8.230 7.791 0.439 1
1 969 . 13 1 1 A 78 78 ASN HA H 78 4.397 4.394 0.003 1
1 974 . 13 1 1 A 78 78 ASN C C 78 176.105 176.856 -0.751 1
1 975 . 13 1 1 A 78 78 ASN CA C 78 55.615 56.062 -0.447 1
1 976 . 13 1 1 A 78 78 ASN CB C 78 38.806 38.842 -0.036 1
1 978 . 13 1 1 A 78 78 ASN N N 78 119.139 117.844 1.295 1
1 980 . 13 1 1 A 79 79 VAL H H 79 7.323 6.699 0.624 1
1 981 . 13 1 1 A 79 79 VAL HA H 79 4.438 4.002 0.436 1
1 989 . 13 1 1 A 79 79 VAL C C 79 174.220 175.644 -1.424 1
1 990 . 13 1 1 A 79 79 VAL CA C 79 59.911 60.940 -1.029 1
1 991 . 13 1 1 A 79 79 VAL CB C 79 31.400 31.068 0.332 1
1 994 . 13 1 1 A 79 79 VAL N N 79 108.664 111.393 -2.729 1
1 995 . 13 1 1 A 80 80 GLY H H 80 7.286 7.793 -0.507 1
1 996 . 13 1 1 A 80 80 GLY HA2 H 80 3.540 3.721 -0.181 1
1 997 . 13 1 1 A 80 80 GLY HA3 H 80 4.023 3.821 0.202 1
1 998 . 13 1 1 A 80 80 GLY C C 80 174.383 174.304 0.079 1
1 999 . 13 1 1 A 80 80 GLY CA C 80 45.739 45.406 0.333 1
1 1000 . 13 1 1 A 80 80 GLY N N 80 104.635 109.850 -5.215 1
1 1001 . 13 1 1 A 81 81 PHE H H 81 8.535 7.615 0.920 1
1 1002 . 13 1 1 A 81 81 PHE HA H 81 4.845 4.536 0.309 1
1 1010 . 13 1 1 A 81 81 PHE C C 81 174.570 175.508 -0.938 1
1 1011 . 13 1 1 A 81 81 PHE CA C 81 56.375 58.571 -2.196 1
1 1012 . 13 1 1 A 81 81 PHE CB C 81 39.941 39.430 0.511 1
1 1018 . 13 1 1 A 81 81 PHE N N 81 119.772 119.021 0.751 1
1 1019 . 13 1 1 A 82 82 ASP H H 82 8.564 8.983 -0.419 1
1 1020 . 13 1 1 A 82 82 ASP HA H 82 4.491 4.676 -0.185 1
1 1023 . 13 1 1 A 82 82 ASP C C 82 175.170 176.216 -1.046 1
1 1024 . 13 1 1 A 82 82 ASP CA C 82 55.195 56.484 -1.289 1
1 1025 . 13 1 1 A 82 82 ASP CB C 82 41.010 42.145 -1.135 1
1 1026 . 13 1 1 A 82 82 ASP N N 82 123.028 124.310 -1.282 1
1 1027 . 13 1 1 A 83 83 ASP H H 83 7.789 7.815 -0.026 1
1 1028 . 13 1 1 A 83 83 ASP HA H 83 4.947 4.906 0.041 1
1 1031 . 13 1 1 A 83 83 ASP C C 83 176.347 177.075 -0.728 1
1 1032 . 13 1 1 A 83 83 ASP CA C 83 52.690 53.989 -1.299 1
1 1033 . 13 1 1 A 83 83 ASP CB C 83 43.152 41.680 1.472 1
1 1034 . 13 1 1 A 83 83 ASP N N 83 118.576 118.996 -0.420 1
1 1035 . 13 1 1 A 84 84 GLN H H 84 9.104 8.730 0.374 1
1 1036 . 13 1 1 A 84 84 GLN HA H 84 4.333 4.148 0.185 1
1 1043 . 13 1 1 A 84 84 GLN C C 84 177.986 178.265 -0.279 1
1 1044 . 13 1 1 A 84 84 GLN CA C 84 58.909 58.817 0.092 1
1 1045 . 13 1 1 A 84 84 GLN CB C 84 28.267 27.864 0.403 1
1 1048 . 13 1 1 A 84 84 GLN N N 84 126.543 124.568 1.975 1
1 1050 . 13 1 1 A 85 85 LEU H H 85 8.419 8.319 0.100 1
1 1051 . 13 1 1 A 85 85 LEU HA H 85 4.210 4.028 0.182 1
1 1061 . 13 1 1 A 85 85 LEU C C 85 179.472 178.912 0.560 1
1 1062 . 13 1 1 A 85 85 LEU CA C 85 57.958 57.893 0.065 1
1 1063 . 13 1 1 A 85 85 LEU CB C 85 40.678 41.281 -0.603 1
1 1067 . 13 1 1 A 85 85 LEU N N 85 123.486 121.707 1.779 1
1 1068 . 13 1 1 A 86 86 TYR H H 86 8.042 8.506 -0.464 1
1 1069 . 13 1 1 A 86 86 TYR HA H 86 4.288 4.031 0.257 1
1 1076 . 13 1 1 A 86 86 TYR C C 86 177.195 177.093 0.102 1
1 1077 . 13 1 1 A 86 86 TYR CA C 86 60.367 61.590 -1.223 1
1 1078 . 13 1 1 A 86 86 TYR CB C 86 38.184 38.288 -0.104 1
1 1083 . 13 1 1 A 86 86 TYR N N 86 122.679 119.460 3.219 1
1 1084 . 13 1 1 A 87 87 PHE H H 87 8.219 8.004 0.215 1
1 1085 . 13 1 1 A 87 87 PHE HA H 87 3.261 3.513 -0.252 1
1 1093 . 13 1 1 A 87 87 PHE C C 87 175.875 177.963 -2.088 1
1 1094 . 13 1 1 A 87 87 PHE CA C 87 58.536 61.902 -3.366 1
1 1095 . 13 1 1 A 87 87 PHE CB C 87 38.124 39.290 -1.166 1
1 1101 . 13 1 1 A 87 87 PHE N N 87 116.536 119.479 -2.943 1
1 1102 . 13 1 1 A 88 88 SER H H 88 8.082 8.243 -0.161 1
1 1103 . 13 1 1 A 88 88 SER HA H 88 3.951 3.822 0.129 1
1 1105 . 13 1 1 A 88 88 SER C C 88 175.926 177.305 -1.379 1
1 1106 . 13 1 1 A 88 88 SER CA C 88 62.398 61.224 1.174 1
1 1107 . 13 1 1 A 88 88 SER N N 88 112.937 113.975 -1.038 1
1 1108 . 13 1 1 A 89 89 ARG H H 89 7.843 8.083 -0.240 1
1 1109 . 13 1 1 A 89 89 ARG HA H 89 3.975 4.072 -0.097 1
1 1116 . 13 1 1 A 89 89 ARG C C 89 179.414 178.818 0.596 1
1 1117 . 13 1 1 A 89 89 ARG CA C 89 59.452 59.190 0.262 1
1 1118 . 13 1 1 A 89 89 ARG CB C 89 30.242 30.107 0.135 1
1 1121 . 13 1 1 A 89 89 ARG N N 89 121.621 121.966 -0.345 1
1 1122 . 13 1 1 A 90 90 VAL H H 90 8.235 7.708 0.527 1
1 1123 . 13 1 1 A 90 90 VAL HA H 90 3.530 3.507 0.023 1
1 1131 . 13 1 1 A 90 90 VAL C C 90 177.752 177.971 -0.219 1
1 1132 . 13 1 1 A 90 90 VAL CA C 90 66.208 66.176 0.032 1
1 1133 . 13 1 1 A 90 90 VAL CB C 90 31.649 31.706 -0.057 1
1 1136 . 13 1 1 A 90 90 VAL N N 90 122.095 119.845 2.250 1
1 1137 . 13 1 1 A 91 91 PHE H H 91 8.763 8.569 0.194 1
1 1138 . 13 1 1 A 91 91 PHE HA H 91 3.584 3.912 -0.328 1
1 1141 . 13 1 1 A 91 91 PHE C C 91 178.386 177.346 1.040 1
1 1142 . 13 1 1 A 91 91 PHE CA C 91 62.523 60.438 2.085 1
1 1143 . 13 1 1 A 91 91 PHE CB C 91 39.528 38.359 1.169 1
1 1144 . 13 1 1 A 91 91 PHE N N 91 121.769 120.016 1.753 1
1 1145 . 13 1 1 A 92 92 LYS H H 92 8.237 8.400 -0.163 1
1 1146 . 13 1 1 A 92 92 LYS HA H 92 4.217 4.257 -0.040 1
1 1153 . 13 1 1 A 92 92 LYS C C 92 179.621 179.271 0.350 1
1 1154 . 13 1 1 A 92 92 LYS CA C 92 58.597 60.086 -1.489 1
1 1155 . 13 1 1 A 92 92 LYS CB C 92 32.290 32.661 -0.371 1
1 1159 . 13 1 1 A 92 92 LYS N N 92 121.441 118.224 3.217 1
1 1160 . 13 1 1 A 93 93 LYS H H 93 8.013 7.466 0.547 1
1 1161 . 13 1 1 A 93 93 LYS HA H 93 3.956 4.055 -0.099 1
1 1169 . 13 1 1 A 93 93 LYS C C 93 178.611 179.373 -0.762 1
1 1170 . 13 1 1 A 93 93 LYS CA C 93 59.356 58.984 0.372 1
1 1171 . 13 1 1 A 93 93 LYS CB C 93 31.785 31.810 -0.025 1
1 1175 . 13 1 1 A 93 93 LYS N N 93 122.286 118.555 3.731 1
1 1176 . 13 1 1 A 94 94 CYS H H 94 7.818 7.680 0.138 1
1 1177 . 13 1 1 A 94 94 CYS HA H 94 4.224 3.923 0.301 1
1 1180 . 13 1 1 A 94 94 CYS C C 94 176.440 175.781 0.659 1
1 1181 . 13 1 1 A 94 94 CYS CA C 94 62.517 62.411 0.106 1
1 1182 . 13 1 1 A 94 94 CYS CB C 94 28.104 26.229 1.875 1
1 1183 . 13 1 1 A 94 94 CYS N N 94 113.581 118.795 -5.214 1
1 1184 . 13 1 1 A 95 95 THR H H 95 8.038 7.034 1.004 1
1 1185 . 13 1 1 A 95 95 THR HA H 95 4.397 4.390 0.007 1
1 1190 . 13 1 1 A 95 95 THR C C 95 176.237 175.757 0.480 1
1 1191 . 13 1 1 A 95 95 THR CA C 95 62.507 61.704 0.803 1
1 1192 . 13 1 1 A 95 95 THR CB C 95 71.481 70.531 0.950 1
1 1194 . 13 1 1 A 95 95 THR N N 95 106.903 108.378 -1.475 1
1 1195 . 13 1 1 A 96 96 GLY H H 96 8.526 8.847 -0.321 1
1 1196 . 13 1 1 A 96 96 GLY HA2 H 96 3.724 3.855 -0.131 1
1 1197 . 13 1 1 A 96 96 GLY HA3 H 96 4.374 3.866 0.508 1
1 1198 . 13 1 1 A 96 96 GLY C C 96 172.550 173.346 -0.796 1
1 1199 . 13 1 1 A 96 96 GLY CA C 96 45.264 45.242 0.022 1
1 1200 . 13 1 1 A 96 96 GLY N N 96 112.762 111.446 1.316 1
1 1201 . 13 1 1 A 97 97 ALA H H 97 8.560 7.483 1.077 1
1 1202 . 13 1 1 A 97 97 ALA HA H 97 4.841 4.813 0.028 1
1 1206 . 13 1 1 A 97 97 ALA C C 97 175.280 176.244 -0.964 1
1 1207 . 13 1 1 A 97 97 ALA CA C 97 50.176 51.126 -0.950 1
1 1208 . 13 1 1 A 97 97 ALA CB C 97 22.551 22.941 -0.390 1
1 1209 . 13 1 1 A 97 97 ALA N N 97 125.656 120.899 4.757 1
1 1210 . 13 1 1 A 98 98 SER H H 98 8.817 8.633 0.184 1
1 1211 . 13 1 1 A 98 98 SER HA H 98 4.656 4.786 -0.130 1
1 1212 . 13 1 1 A 98 98 SER CA C 98 56.612 56.883 -0.271 1
1 1213 . 13 1 1 A 98 98 SER N N 98 114.919 115.177 -0.258 1
1 1214 . 13 1 1 A 99 99 PRO HA H 99 3.500 4.516 -1.016 1
1 1220 . 13 1 1 A 99 99 PRO C C 99 177.585 177.965 -0.380 1
1 1221 . 13 1 1 A 99 99 PRO CA C 99 66.202 64.660 1.542 1
1 1222 . 13 1 1 A 99 99 PRO CB C 99 32.030 31.844 0.186 1
1 1225 . 13 1 1 A 100 100 SER H H 100 8.254 8.228 0.026 1
1 1226 . 13 1 1 A 100 100 SER HA H 100 4.029 4.296 -0.267 1
1 1227 . 13 1 1 A 100 100 SER C C 100 177.441 177.036 0.405 1
1 1228 . 13 1 1 A 100 100 SER CA C 100 61.891 61.000 0.891 1
1 1229 . 13 1 1 A 100 100 SER N N 100 111.230 112.224 -0.994 1
1 1230 . 13 1 1 A 101 101 GLU H H 101 7.848 7.969 -0.121 1
1 1231 . 13 1 1 A 101 101 GLU HA H 101 4.021 4.078 -0.057 1
1 1236 . 13 1 1 A 101 101 GLU C C 101 179.288 178.724 0.564 1
1 1237 . 13 1 1 A 101 101 GLU CA C 101 58.822 59.379 -0.557 1
1 1238 . 13 1 1 A 101 101 GLU CB C 101 29.846 29.582 0.264 1
1 1240 . 13 1 1 A 101 101 GLU N N 101 125.150 121.509 3.641 1
1 1241 . 13 1 1 A 102 102 PHE H H 102 8.923 8.101 0.822 1
1 1242 . 13 1 1 A 102 102 PHE HA H 102 4.155 4.135 0.020 1
1 1245 . 13 1 1 A 102 102 PHE C C 102 178.343 177.429 0.914 1
1 1246 . 13 1 1 A 102 102 PHE CA C 102 61.315 61.673 -0.358 1
1 1247 . 13 1 1 A 102 102 PHE CB C 102 40.083 39.595 0.488 1
1 1248 . 13 1 1 A 102 102 PHE N N 102 121.281 120.747 0.534 1
1 1249 . 13 1 1 A 103 103 ARG H H 103 8.210 8.462 -0.252 1
1 1250 . 13 1 1 A 103 103 ARG HA H 103 3.830 4.025 -0.195 1
1 1257 . 13 1 1 A 103 103 ARG C C 103 177.602 177.931 -0.329 1
1 1258 . 13 1 1 A 103 103 ARG CA C 103 59.235 59.690 -0.455 1
1 1261 . 13 1 1 A 103 103 ARG N N 103 119.223 118.908 0.315 1
1 1262 . 13 1 1 A 104 104 ALA H H 104 7.905 7.352 0.553 1
1 1263 . 13 1 1 A 104 104 ALA HA H 104 4.186 4.222 -0.036 1
1 1267 . 13 1 1 A 104 104 ALA C C 104 179.126 177.967 1.159 1
1 1268 . 13 1 1 A 104 104 ALA CA C 104 54.188 52.847 1.341 1
1 1269 . 13 1 1 A 104 104 ALA CB C 104 18.254 19.579 -1.325 1
1 1270 . 13 1 1 A 104 104 ALA N N 104 120.546 120.148 0.398 1
1 1271 . 13 1 1 A 105 105 GLY H H 105 7.676 7.879 -0.203 1
1 1272 . 13 1 1 A 105 105 GLY HA2 H 105 3.849 3.753 0.096 1
1 1273 . 13 1 1 A 105 105 GLY HA3 H 105 4.052 3.830 0.222 1
1 1274 . 13 1 1 A 105 105 GLY C C 105 174.515 174.027 0.488 1
1 1275 . 13 1 1 A 105 105 GLY CA C 105 45.317 45.129 0.188 1
1 1276 . 13 1 1 A 105 105 GLY N N 105 104.677 106.842 -2.165 1
1 1277 . 13 1 1 A 106 106 CYS H H 106 7.599 7.818 -0.219 1
1 1278 . 13 1 1 A 106 106 CYS HA H 106 4.447 4.523 -0.076 1
1 1281 . 13 1 1 A 106 106 CYS C C 106 173.823 173.861 -0.038 1
1 1282 . 13 1 1 A 106 106 CYS CA C 106 59.123 59.135 -0.012 1
1 1283 . 13 1 1 A 106 106 CYS CB C 106 28.004 28.553 -0.549 1
1 1284 . 13 1 1 A 106 106 CYS N N 106 118.321 119.976 -1.655 1
1 14 . 14 1 1 A 2 2 ASP H H 2 8.989 9.109 -0.120 1
1 15 . 14 1 1 A 2 2 ASP HA H 2 4.662 4.630 0.032 1
1 18 . 14 1 1 A 2 2 ASP C C 2 177.024 177.179 -0.155 1
1 19 . 14 1 1 A 2 2 ASP CA C 2 54.092 54.464 -0.372 1
1 20 . 14 1 1 A 2 2 ASP CB C 2 42.743 42.794 -0.051 1
1 21 . 14 1 1 A 2 2 ASP N N 2 126.287 126.811 -0.524 1
1 22 . 14 1 1 A 3 3 ASN H H 3 9.165 8.827 0.338 1
1 23 . 14 1 1 A 3 3 ASN HA H 3 4.446 4.342 0.104 1
1 28 . 14 1 1 A 3 3 ASN C C 3 177.306 177.319 -0.013 1
1 29 . 14 1 1 A 3 3 ASN CA C 3 56.355 56.008 0.347 1
1 30 . 14 1 1 A 3 3 ASN CB C 3 38.382 37.930 0.452 1
1 32 . 14 1 1 A 3 3 ASN N N 3 124.055 123.182 0.873 1
1 34 . 14 1 1 A 4 4 ARG H H 4 9.092 7.830 1.262 1
1 35 . 14 1 1 A 4 4 ARG HA H 4 4.183 4.027 0.156 1
1 42 . 14 1 1 A 4 4 ARG C C 4 178.824 178.545 0.279 1
1 43 . 14 1 1 A 4 4 ARG CA C 4 59.401 59.583 -0.182 1
1 44 . 14 1 1 A 4 4 ARG CB C 4 29.437 30.506 -1.069 1
1 47 . 14 1 1 A 4 4 ARG N N 4 119.970 121.302 -1.332 1
1 48 . 14 1 1 A 5 5 VAL H H 5 7.588 7.966 -0.378 1
1 49 . 14 1 1 A 5 5 VAL HA H 5 3.458 3.564 -0.106 1
1 57 . 14 1 1 A 5 5 VAL C C 5 177.573 178.105 -0.532 1
1 58 . 14 1 1 A 5 5 VAL CA C 5 66.543 66.639 -0.096 1
1 59 . 14 1 1 A 5 5 VAL CB C 5 31.294 31.286 0.008 1
1 62 . 14 1 1 A 5 5 VAL N N 5 119.312 119.480 -0.168 1
1 63 . 14 1 1 A 6 6 ARG H H 6 7.920 8.693 -0.773 1
1 64 . 14 1 1 A 6 6 ARG HA H 6 3.860 3.844 0.016 1
1 71 . 14 1 1 A 6 6 ARG C C 6 179.380 178.798 0.582 1
1 72 . 14 1 1 A 6 6 ARG CA C 6 60.197 59.783 0.414 1
1 73 . 14 1 1 A 6 6 ARG CB C 6 29.818 29.849 -0.031 1
1 76 . 14 1 1 A 6 6 ARG N N 6 120.863 119.687 1.176 1
1 77 . 14 1 1 A 7 7 GLU H H 7 8.262 7.776 0.486 1
1 78 . 14 1 1 A 7 7 GLU HA H 7 4.241 4.158 0.083 1
1 83 . 14 1 1 A 7 7 GLU C C 7 179.131 179.219 -0.088 1
1 84 . 14 1 1 A 7 7 GLU CA C 7 58.770 59.185 -0.415 1
1 85 . 14 1 1 A 7 7 GLU CB C 7 28.883 28.829 0.054 1
1 87 . 14 1 1 A 7 7 GLU N N 7 119.166 119.493 -0.327 1
1 88 . 14 1 1 A 8 8 ALA H H 8 8.421 8.031 0.390 1
1 89 . 14 1 1 A 8 8 ALA HA H 8 4.046 4.439 -0.393 1
1 93 . 14 1 1 A 8 8 ALA C C 8 179.202 179.997 -0.795 1
1 94 . 14 1 1 A 8 8 ALA CA C 8 55.610 55.249 0.361 1
1 95 . 14 1 1 A 8 8 ALA CB C 8 18.512 18.502 0.010 1
1 96 . 14 1 1 A 8 8 ALA N N 8 123.947 122.760 1.187 1
1 97 . 14 1 1 A 9 9 CYS H H 9 8.490 8.611 -0.121 1
1 98 . 14 1 1 A 9 9 CYS HA H 9 3.767 4.375 -0.608 1
1 101 . 14 1 1 A 9 9 CYS C C 9 176.858 177.505 -0.647 1
1 102 . 14 1 1 A 9 9 CYS CA C 9 64.480 61.322 3.158 1
1 103 . 14 1 1 A 9 9 CYS CB C 9 26.690 27.054 -0.364 1
1 104 . 14 1 1 A 9 9 CYS N N 9 116.232 115.765 0.467 1
1 105 . 14 1 1 A 10 10 GLN H H 10 8.088 8.263 -0.175 1
1 106 . 14 1 1 A 10 10 GLN HA H 10 4.022 4.245 -0.223 1
1 113 . 14 1 1 A 10 10 GLN C C 10 177.140 178.438 -1.298 1
1 114 . 14 1 1 A 10 10 GLN CA C 10 58.804 58.735 0.069 1
1 115 . 14 1 1 A 10 10 GLN CB C 10 28.299 28.404 -0.105 1
1 118 . 14 1 1 A 10 10 GLN N N 10 120.817 121.956 -1.139 1
1 120 . 14 1 1 A 11 11 TYR H H 11 8.367 7.982 0.385 1
1 121 . 14 1 1 A 11 11 TYR HA H 11 4.308 4.143 0.165 1
1 128 . 14 1 1 A 11 11 TYR C C 11 178.986 177.186 1.800 1
1 129 . 14 1 1 A 11 11 TYR CA C 11 61.850 61.112 0.738 1
1 130 . 14 1 1 A 11 11 TYR CB C 11 38.653 38.819 -0.166 1
1 135 . 14 1 1 A 11 11 TYR N N 11 120.419 121.099 -0.680 1
1 136 . 14 1 1 A 12 12 ILE H H 12 8.886 7.888 0.998 1
1 137 . 14 1 1 A 12 12 ILE HA H 12 3.700 3.299 0.401 1
1 147 . 14 1 1 A 12 12 ILE C C 12 179.352 177.815 1.537 1
1 148 . 14 1 1 A 12 12 ILE CA C 12 65.621 65.130 0.491 1
1 149 . 14 1 1 A 12 12 ILE CB C 12 38.203 37.950 0.253 1
1 153 . 14 1 1 A 12 12 ILE N N 12 119.720 121.312 -1.592 1
1 154 . 14 1 1 A 13 13 SER H H 13 8.740 8.054 0.686 1
1 155 . 14 1 1 A 13 13 SER HA H 13 4.753 4.134 0.619 1
1 158 . 14 1 1 A 13 13 SER C C 13 176.355 176.410 -0.055 1
1 159 . 14 1 1 A 13 13 SER CA C 13 62.551 61.445 1.106 1
1 160 . 14 1 1 A 13 13 SER CB C 13 62.468 62.255 0.213 1
1 161 . 14 1 1 A 13 13 SER N N 13 116.217 115.726 0.491 1
1 162 . 14 1 1 A 14 14 ASP H H 14 8.426 8.305 0.121 1
1 163 . 14 1 1 A 14 14 ASP HA H 14 4.438 4.338 0.100 1
1 166 . 14 1 1 A 14 14 ASP C C 14 176.838 177.345 -0.507 1
1 167 . 14 1 1 A 14 14 ASP CA C 14 55.988 56.735 -0.747 1
1 168 . 14 1 1 A 14 14 ASP CB C 14 40.500 40.690 -0.190 1
1 169 . 14 1 1 A 14 14 ASP N N 14 121.201 122.498 -1.297 1
1 170 . 14 1 1 A 15 15 HIS H H 15 7.530 7.527 0.003 1
1 171 . 14 1 1 A 15 15 HIS HA H 15 4.661 4.613 0.048 1
1 176 . 14 1 1 A 15 15 HIS C C 15 175.451 175.569 -0.118 1
1 177 . 14 1 1 A 15 15 HIS CA C 15 55.320 55.236 0.084 1
1 178 . 14 1 1 A 15 15 HIS CB C 15 28.275 29.324 -1.049 1
1 181 . 14 1 1 A 15 15 HIS N N 15 116.777 115.141 1.636 1
1 182 . 14 1 1 A 16 16 LEU H H 16 7.271 7.410 -0.139 1
1 183 . 14 1 1 A 16 16 LEU HA H 16 3.812 3.806 0.006 1
1 193 . 14 1 1 A 16 16 LEU C C 16 176.627 178.210 -1.583 1
1 194 . 14 1 1 A 16 16 LEU CA C 16 58.076 57.661 0.415 1
1 195 . 14 1 1 A 16 16 LEU CB C 16 42.531 41.271 1.260 1
1 199 . 14 1 1 A 16 16 LEU N N 16 122.531 122.439 0.092 1
1 200 . 14 1 1 A 17 17 ALA H H 17 8.243 7.265 0.978 1
1 201 . 14 1 1 A 17 17 ALA HA H 17 3.937 4.361 -0.424 1
1 205 . 14 1 1 A 17 17 ALA C C 17 177.131 176.910 0.221 1
1 206 . 14 1 1 A 17 17 ALA CA C 17 51.802 51.889 -0.087 1
1 207 . 14 1 1 A 17 17 ALA CB C 17 18.473 20.149 -1.676 1
1 208 . 14 1 1 A 17 17 ALA N N 17 116.354 119.392 -3.038 1
1 209 . 14 1 1 A 18 18 ASP H H 18 7.488 7.514 -0.026 1
1 210 . 14 1 1 A 18 18 ASP HA H 18 4.455 4.508 -0.053 1
1 213 . 14 1 1 A 18 18 ASP C C 18 177.370 176.081 1.289 1
1 214 . 14 1 1 A 18 18 ASP CA C 18 54.571 54.572 -0.001 1
1 215 . 14 1 1 A 18 18 ASP CB C 18 40.521 41.148 -0.627 1
1 216 . 14 1 1 A 18 18 ASP N N 18 119.230 119.073 0.157 1
1 217 . 14 1 1 A 19 19 SER H H 19 8.793 8.784 0.009 1
1 218 . 14 1 1 A 19 19 SER HA H 19 4.424 4.502 -0.078 1
1 221 . 14 1 1 A 19 19 SER C C 19 174.779 175.266 -0.487 1
1 222 . 14 1 1 A 19 19 SER CA C 19 59.706 61.747 -2.041 1
1 223 . 14 1 1 A 19 19 SER CB C 19 63.351 63.606 -0.255 1
1 224 . 14 1 1 A 19 19 SER N N 19 119.892 117.833 2.059 1
1 225 . 14 1 1 A 20 20 ASN H H 20 8.520 8.002 0.518 1
1 226 . 14 1 1 A 20 20 ASN HA H 20 4.869 4.929 -0.060 1
1 231 . 14 1 1 A 20 20 ASN C C 20 173.838 174.210 -0.372 1
1 232 . 14 1 1 A 20 20 ASN CA C 20 52.586 52.879 -0.293 1
1 233 . 14 1 1 A 20 20 ASN CB C 20 38.799 37.913 0.886 1
1 235 . 14 1 1 A 20 20 ASN N N 20 119.769 118.986 0.783 1
1 237 . 14 1 1 A 21 21 PHE H H 21 8.082 8.711 -0.629 1
1 238 . 14 1 1 A 21 21 PHE HA H 21 4.397 5.075 -0.678 1
1 246 . 14 1 1 A 21 21 PHE C C 21 173.520 173.715 -0.195 1
1 247 . 14 1 1 A 21 21 PHE CA C 21 58.672 57.104 1.568 1
1 248 . 14 1 1 A 21 21 PHE CB C 21 40.704 41.533 -0.829 1
1 254 . 14 1 1 A 21 21 PHE N N 21 121.875 126.092 -4.217 1
1 255 . 14 1 1 A 22 22 ASP H H 22 7.570 8.554 -0.984 1
1 256 . 14 1 1 A 22 22 ASP HA H 22 4.563 4.774 -0.211 1
1 259 . 14 1 1 A 22 22 ASP C C 22 175.674 175.794 -0.120 1
1 260 . 14 1 1 A 22 22 ASP CA C 22 52.049 52.333 -0.284 1
1 261 . 14 1 1 A 22 22 ASP CB C 22 43.023 42.738 0.285 1
1 262 . 14 1 1 A 22 22 ASP N N 22 126.780 127.804 -1.024 1
1 263 . 14 1 1 A 23 23 ILE H H 23 8.720 8.405 0.315 1
1 264 . 14 1 1 A 23 23 ILE HA H 23 3.555 3.679 -0.124 1
1 274 . 14 1 1 A 23 23 ILE C C 23 176.441 177.492 -1.051 1
1 275 . 14 1 1 A 23 23 ILE CA C 23 63.650 63.144 0.506 1
1 276 . 14 1 1 A 23 23 ILE CB C 23 37.741 37.784 -0.043 1
1 280 . 14 1 1 A 23 23 ILE N N 23 124.815 127.041 -2.226 1
1 281 . 14 1 1 A 24 24 ALA H H 24 8.543 7.940 0.603 1
1 282 . 14 1 1 A 24 24 ALA HA H 24 3.917 4.071 -0.154 1
1 286 . 14 1 1 A 24 24 ALA C C 24 180.227 179.575 0.652 1
1 287 . 14 1 1 A 24 24 ALA CA C 24 55.413 55.354 0.059 1
1 288 . 14 1 1 A 24 24 ALA CB C 24 17.760 17.837 -0.077 1
1 289 . 14 1 1 A 24 24 ALA N N 24 123.943 124.443 -0.500 1
1 290 . 14 1 1 A 25 25 SER H H 25 7.844 8.087 -0.243 1
1 291 . 14 1 1 A 25 25 SER HA H 25 4.246 4.075 0.171 1
1 293 . 14 1 1 A 25 25 SER C C 25 176.667 176.285 0.382 1
1 294 . 14 1 1 A 25 25 SER CA C 25 61.238 61.589 -0.351 1
1 295 . 14 1 1 A 25 25 SER CB C 25 62.402 62.989 -0.587 1
1 296 . 14 1 1 A 25 25 SER N N 25 114.143 113.440 0.703 1
1 297 . 14 1 1 A 26 26 VAL H H 26 7.086 8.112 -1.026 1
1 298 . 14 1 1 A 26 26 VAL HA H 26 3.198 3.747 -0.549 1
1 306 . 14 1 1 A 26 26 VAL C C 26 176.670 178.105 -1.435 1
1 307 . 14 1 1 A 26 26 VAL CA C 26 64.809 66.822 -2.013 1
1 308 . 14 1 1 A 26 26 VAL CB C 26 31.274 31.638 -0.364 1
1 311 . 14 1 1 A 26 26 VAL N N 26 122.369 122.201 0.168 1
1 312 . 14 1 1 A 27 27 ALA H H 27 8.043 7.810 0.233 1
1 313 . 14 1 1 A 27 27 ALA HA H 27 3.775 3.969 -0.194 1
1 317 . 14 1 1 A 27 27 ALA C C 27 178.948 179.339 -0.391 1
1 318 . 14 1 1 A 27 27 ALA CA C 27 55.507 55.594 -0.087 1
1 319 . 14 1 1 A 27 27 ALA CB C 27 17.412 17.809 -0.397 1
1 320 . 14 1 1 A 27 27 ALA N N 27 122.045 121.962 0.083 1
1 321 . 14 1 1 A 28 28 GLN H H 28 8.089 8.171 -0.082 1
1 322 . 14 1 1 A 28 28 GLN HA H 28 4.053 4.037 0.016 1
1 329 . 14 1 1 A 28 28 GLN C C 28 179.289 178.427 0.862 1
1 330 . 14 1 1 A 28 28 GLN CA C 28 58.625 58.751 -0.126 1
1 331 . 14 1 1 A 28 28 GLN CB C 28 28.155 28.235 -0.080 1
1 334 . 14 1 1 A 28 28 GLN N N 28 116.168 118.505 -2.337 1
1 336 . 14 1 1 A 29 29 HIS H H 29 7.454 8.090 -0.636 1
1 337 . 14 1 1 A 29 29 HIS HA H 29 4.209 4.069 0.140 1
1 342 . 14 1 1 A 29 29 HIS C C 29 175.895 176.824 -0.929 1
1 343 . 14 1 1 A 29 29 HIS CA C 29 59.132 59.268 -0.136 1
1 344 . 14 1 1 A 29 29 HIS CB C 29 28.947 29.616 -0.669 1
1 347 . 14 1 1 A 29 29 HIS N N 29 118.117 119.920 -1.803 1
1 348 . 14 1 1 A 30 30 VAL H H 30 7.309 6.990 0.319 1
1 349 . 14 1 1 A 30 30 VAL HA H 30 4.441 4.070 0.371 1
1 357 . 14 1 1 A 30 30 VAL C C 30 173.598 175.687 -2.089 1
1 358 . 14 1 1 A 30 30 VAL CA C 30 59.948 60.481 -0.533 1
1 359 . 14 1 1 A 30 30 VAL CB C 30 31.067 30.934 0.133 1
1 362 . 14 1 1 A 30 30 VAL N N 30 106.791 109.325 -2.534 1
1 363 . 14 1 1 A 31 31 CYS H H 31 7.837 8.059 -0.222 1
1 364 . 14 1 1 A 31 31 CYS HA H 31 3.929 4.035 -0.106 1
1 367 . 14 1 1 A 31 31 CYS C C 31 173.679 173.213 0.466 1
1 368 . 14 1 1 A 31 31 CYS CA C 31 59.814 60.063 -0.249 1
1 369 . 14 1 1 A 31 31 CYS CB C 31 24.898 26.258 -1.360 1
1 370 . 14 1 1 A 31 31 CYS N N 31 116.363 120.197 -3.834 1
1 371 . 14 1 1 A 32 32 LEU H H 32 8.061 7.660 0.401 1
1 372 . 14 1 1 A 32 32 LEU HA H 32 4.871 4.797 0.074 1
1 382 . 14 1 1 A 32 32 LEU C C 32 176.243 175.900 0.343 1
1 383 . 14 1 1 A 32 32 LEU CA C 32 52.555 53.222 -0.667 1
1 384 . 14 1 1 A 32 32 LEU CB C 32 48.238 46.264 1.974 1
1 388 . 14 1 1 A 32 32 LEU N N 32 118.159 119.884 -1.725 1
1 389 . 14 1 1 A 33 33 SER H H 33 8.221 8.742 -0.521 1
1 390 . 14 1 1 A 33 33 SER N N 33 116.259 117.147 -0.888 1
1 391 . 14 1 1 A 34 34 PRO HA H 34 3.951 4.353 -0.402 1
1 398 . 14 1 1 A 34 34 PRO C C 34 178.473 178.386 0.087 1
1 399 . 14 1 1 A 34 34 PRO CA C 34 66.404 64.984 1.420 1
1 400 . 14 1 1 A 34 34 PRO CB C 34 31.712 32.004 -0.292 1
1 403 . 14 1 1 A 35 35 SER H H 35 8.343 8.191 0.152 1
1 404 . 14 1 1 A 35 35 SER HA H 35 4.192 4.238 -0.046 1
1 406 . 14 1 1 A 35 35 SER C C 35 177.361 176.940 0.421 1
1 407 . 14 1 1 A 35 35 SER CA C 35 61.358 61.332 0.026 1
1 408 . 14 1 1 A 35 35 SER CB C 35 62.140 62.693 -0.553 1
1 409 . 14 1 1 A 35 35 SER N N 35 111.653 112.916 -1.263 1
1 410 . 14 1 1 A 36 36 ARG H H 36 7.868 7.861 0.007 1
1 411 . 14 1 1 A 36 36 ARG HA H 36 4.243 4.222 0.021 1
1 418 . 14 1 1 A 36 36 ARG C C 36 178.850 178.552 0.298 1
1 419 . 14 1 1 A 36 36 ARG CA C 36 58.714 58.305 0.409 1
1 420 . 14 1 1 A 36 36 ARG CB C 36 29.804 29.959 -0.155 1
1 423 . 14 1 1 A 36 36 ARG N N 36 124.303 122.022 2.281 1
1 424 . 14 1 1 A 37 37 LEU H H 37 8.593 7.919 0.674 1
1 425 . 14 1 1 A 37 37 LEU HA H 37 4.052 4.133 -0.081 1
1 435 . 14 1 1 A 37 37 LEU C C 37 177.894 178.451 -0.557 1
1 436 . 14 1 1 A 37 37 LEU CA C 37 58.289 58.499 -0.210 1
1 437 . 14 1 1 A 37 37 LEU CB C 37 40.775 41.948 -1.173 1
1 441 . 14 1 1 A 37 37 LEU N N 37 119.319 121.813 -2.494 1
1 442 . 14 1 1 A 38 38 SER H H 38 8.478 8.510 -0.032 1
1 443 . 14 1 1 A 38 38 SER HA H 38 4.066 4.236 -0.170 1
1 444 . 14 1 1 A 38 38 SER C C 38 176.577 176.949 -0.372 1
1 445 . 14 1 1 A 38 38 SER CA C 38 62.824 60.886 1.938 1
1 446 . 14 1 1 A 38 38 SER N N 38 113.612 115.041 -1.429 1
1 447 . 14 1 1 A 39 39 HIS H H 39 7.983 7.738 0.245 1
1 448 . 14 1 1 A 39 39 HIS HA H 39 4.403 4.278 0.125 1
1 453 . 14 1 1 A 39 39 HIS C C 39 177.138 176.712 0.426 1
1 454 . 14 1 1 A 39 39 HIS CA C 39 59.316 60.043 -0.727 1
1 455 . 14 1 1 A 39 39 HIS CB C 39 29.226 30.185 -0.959 1
1 458 . 14 1 1 A 39 39 HIS N N 39 119.938 121.459 -1.521 1
1 459 . 14 1 1 A 40 40 LEU H H 40 8.432 8.210 0.222 1
1 460 . 14 1 1 A 40 40 LEU HA H 40 4.045 4.019 0.026 1
1 470 . 14 1 1 A 40 40 LEU C C 40 178.876 179.146 -0.270 1
1 471 . 14 1 1 A 40 40 LEU CA C 40 57.990 57.847 0.143 1
1 472 . 14 1 1 A 40 40 LEU CB C 40 42.609 41.837 0.772 1
1 476 . 14 1 1 A 40 40 LEU N N 40 120.053 118.649 1.404 1
1 477 . 14 1 1 A 41 41 PHE H H 41 8.937 8.822 0.115 1
1 478 . 14 1 1 A 41 41 PHE HA H 41 3.736 3.987 -0.251 1
1 486 . 14 1 1 A 41 41 PHE C C 41 178.022 177.589 0.433 1
1 487 . 14 1 1 A 41 41 PHE CA C 41 62.523 61.918 0.605 1
1 488 . 14 1 1 A 41 41 PHE CB C 41 39.534 39.013 0.521 1
1 494 . 14 1 1 A 41 41 PHE N N 41 120.491 119.842 0.649 1
1 495 . 14 1 1 A 42 42 ARG H H 42 8.009 8.078 -0.069 1
1 496 . 14 1 1 A 42 42 ARG HA H 42 4.021 4.387 -0.366 1
1 502 . 14 1 1 A 42 42 ARG C C 42 179.850 178.971 0.879 1
1 503 . 14 1 1 A 42 42 ARG CA C 42 59.243 59.010 0.233 1
1 504 . 14 1 1 A 42 42 ARG CB C 42 29.748 29.584 0.164 1
1 507 . 14 1 1 A 42 42 ARG N N 42 117.688 118.638 -0.950 1
1 508 . 14 1 1 A 43 43 GLN H H 43 8.286 7.553 0.733 1
1 509 . 14 1 1 A 43 43 GLN HA H 43 4.006 4.081 -0.075 1
1 516 . 14 1 1 A 43 43 GLN C C 43 177.917 178.271 -0.354 1
1 517 . 14 1 1 A 43 43 GLN CA C 43 58.715 58.497 0.218 1
1 518 . 14 1 1 A 43 43 GLN CB C 43 29.345 28.612 0.733 1
1 521 . 14 1 1 A 43 43 GLN N N 43 118.179 118.061 0.118 1
1 523 . 14 1 1 A 44 44 GLN H H 44 8.296 8.180 0.116 1
1 524 . 14 1 1 A 44 44 GLN HA H 44 4.208 4.108 0.100 1
1 531 . 14 1 1 A 44 44 GLN C C 44 177.314 177.468 -0.154 1
1 532 . 14 1 1 A 44 44 GLN CA C 44 57.913 58.100 -0.187 1
1 533 . 14 1 1 A 44 44 GLN CB C 44 29.027 28.691 0.336 1
1 536 . 14 1 1 A 44 44 GLN N N 44 114.928 118.250 -3.322 1
1 538 . 14 1 1 A 45 45 LEU H H 45 8.463 8.023 0.440 1
1 539 . 14 1 1 A 45 45 LEU HA H 45 4.567 4.254 0.313 1
1 549 . 14 1 1 A 45 45 LEU C C 45 178.381 177.073 1.308 1
1 550 . 14 1 1 A 45 45 LEU CA C 45 54.564 55.157 -0.593 1
1 551 . 14 1 1 A 45 45 LEU CB C 45 43.031 42.343 0.688 1
1 555 . 14 1 1 A 45 45 LEU N N 45 117.028 116.878 0.150 1
1 556 . 14 1 1 A 46 46 GLY H H 46 7.852 8.906 -1.054 1
1 557 . 14 1 1 A 46 46 GLY HA2 H 46 4.005 3.877 0.128 1
1 558 . 14 1 1 A 46 46 GLY HA3 H 46 4.167 3.885 0.282 1
1 559 . 14 1 1 A 46 46 GLY C C 46 173.114 173.472 -0.358 1
1 560 . 14 1 1 A 46 46 GLY CA C 46 46.080 45.965 0.115 1
1 561 . 14 1 1 A 46 46 GLY N N 46 108.569 106.635 1.934 1
1 562 . 14 1 1 A 47 47 ILE H H 47 7.281 7.542 -0.261 1
1 563 . 14 1 1 A 47 47 ILE HA H 47 4.735 4.890 -0.155 1
1 573 . 14 1 1 A 47 47 ILE C C 47 172.231 174.336 -2.105 1
1 574 . 14 1 1 A 47 47 ILE CA C 47 59.240 58.823 0.417 1
1 575 . 14 1 1 A 47 47 ILE CB C 47 42.470 42.089 0.381 1
1 579 . 14 1 1 A 47 47 ILE N N 47 115.396 115.885 -0.489 1
1 580 . 14 1 1 A 48 48 SER H H 48 8.298 8.832 -0.534 1
1 581 . 14 1 1 A 48 48 SER HA H 48 4.725 4.640 0.085 1
1 584 . 14 1 1 A 48 48 SER C C 48 174.600 175.816 -1.216 1
1 585 . 14 1 1 A 48 48 SER CA C 48 57.092 58.947 -1.855 1
1 586 . 14 1 1 A 48 48 SER CB C 48 65.286 63.713 1.573 1
1 587 . 14 1 1 A 48 48 SER N N 48 115.685 118.910 -3.225 1
1 588 . 14 1 1 A 49 49 VAL H H 49 8.296 8.783 -0.487 1
1 589 . 14 1 1 A 49 49 VAL HA H 49 3.081 3.841 -0.760 1
1 597 . 14 1 1 A 49 49 VAL C C 49 177.888 177.453 0.435 1
1 598 . 14 1 1 A 49 49 VAL CA C 49 65.881 67.497 -1.616 1
1 599 . 14 1 1 A 49 49 VAL CB C 49 31.149 31.639 -0.490 1
1 602 . 14 1 1 A 49 49 VAL N N 49 120.175 124.007 -3.832 1
1 603 . 14 1 1 A 50 50 LEU H H 50 8.138 8.284 -0.146 1
1 604 . 14 1 1 A 50 50 LEU HA H 50 4.011 4.110 -0.099 1
1 614 . 14 1 1 A 50 50 LEU C C 50 180.412 179.658 0.754 1
1 615 . 14 1 1 A 50 50 LEU CA C 50 57.962 58.075 -0.113 1
1 616 . 14 1 1 A 50 50 LEU CB C 50 41.224 41.085 0.139 1
1 620 . 14 1 1 A 50 50 LEU N N 50 116.998 119.118 -2.120 1
1 621 . 14 1 1 A 51 51 SER H H 51 8.087 7.946 0.141 1
1 622 . 14 1 1 A 51 51 SER HA H 51 4.279 4.246 0.033 1
1 624 . 14 1 1 A 51 51 SER C C 51 176.081 176.799 -0.718 1
1 625 . 14 1 1 A 51 51 SER CA C 51 62.174 61.316 0.858 1
1 626 . 14 1 1 A 51 51 SER N N 51 117.207 114.827 2.380 1
1 627 . 14 1 1 A 52 52 TRP H H 52 8.913 8.436 0.477 1
1 628 . 14 1 1 A 52 52 TRP HA H 52 4.067 4.239 -0.172 1
1 637 . 14 1 1 A 52 52 TRP C C 52 178.579 177.974 0.605 1
1 638 . 14 1 1 A 52 52 TRP CA C 52 63.288 61.250 2.038 1
1 639 . 14 1 1 A 52 52 TRP CB C 52 29.159 29.903 -0.744 1
1 645 . 14 1 1 A 52 52 TRP N N 52 124.958 123.482 1.476 1
1 647 . 14 1 1 A 53 53 ARG H H 53 8.547 8.247 0.300 1
1 648 . 14 1 1 A 53 53 ARG HA H 53 3.578 3.437 0.141 1
1 654 . 14 1 1 A 53 53 ARG C C 53 177.290 178.594 -1.304 1
1 655 . 14 1 1 A 53 53 ARG CA C 53 60.443 59.517 0.926 1
1 656 . 14 1 1 A 53 53 ARG CB C 53 30.001 29.670 0.331 1
1 659 . 14 1 1 A 53 53 ARG N N 53 118.356 119.289 -0.933 1
1 660 . 14 1 1 A 54 54 GLU H H 54 8.002 7.689 0.313 1
1 661 . 14 1 1 A 54 54 GLU HA H 54 4.016 4.013 0.003 1
1 666 . 14 1 1 A 54 54 GLU C C 54 178.460 178.196 0.264 1
1 667 . 14 1 1 A 54 54 GLU CA C 54 59.982 59.533 0.449 1
1 668 . 14 1 1 A 54 54 GLU CB C 54 29.759 29.143 0.616 1
1 670 . 14 1 1 A 54 54 GLU N N 54 118.818 119.197 -0.379 1
1 671 . 14 1 1 A 55 55 ASP H H 55 8.111 8.528 -0.417 1
1 672 . 14 1 1 A 55 55 ASP HA H 55 4.289 4.291 -0.002 1
1 675 . 14 1 1 A 55 55 ASP C C 55 179.313 178.211 1.102 1
1 676 . 14 1 1 A 55 55 ASP CA C 55 57.131 57.751 -0.620 1
1 677 . 14 1 1 A 55 55 ASP CB C 55 40.227 42.388 -2.161 1
1 678 . 14 1 1 A 55 55 ASP N N 55 119.156 120.144 -0.988 1
1 679 . 14 1 1 A 56 56 GLN H H 56 8.099 7.482 0.617 1
1 680 . 14 1 1 A 56 56 GLN HA H 56 3.781 3.882 -0.101 1
1 687 . 14 1 1 A 56 56 GLN C C 56 178.700 178.605 0.095 1
1 688 . 14 1 1 A 56 56 GLN CA C 56 57.487 58.660 -1.173 1
1 689 . 14 1 1 A 56 56 GLN CB C 56 27.430 27.733 -0.303 1
1 692 . 14 1 1 A 56 56 GLN N N 56 119.807 117.652 2.155 1
1 694 . 14 1 1 A 57 57 ARG H H 57 8.240 7.892 0.348 1
1 695 . 14 1 1 A 57 57 ARG HA H 57 3.898 4.002 -0.104 1
1 702 . 14 1 1 A 57 57 ARG C C 57 178.185 178.696 -0.511 1
1 703 . 14 1 1 A 57 57 ARG CA C 57 60.671 58.988 1.683 1
1 704 . 14 1 1 A 57 57 ARG CB C 57 31.221 29.687 1.534 1
1 707 . 14 1 1 A 57 57 ARG N N 57 120.129 119.441 0.688 1
1 708 . 14 1 1 A 58 58 ILE H H 58 7.885 7.600 0.285 1
1 709 . 14 1 1 A 58 58 ILE HA H 58 3.978 3.890 0.088 1
1 719 . 14 1 1 A 58 58 ILE C C 58 178.357 178.120 0.237 1
1 720 . 14 1 1 A 58 58 ILE CA C 58 61.684 64.913 -3.229 1
1 721 . 14 1 1 A 58 58 ILE CB C 58 34.538 37.748 -3.210 1
1 725 . 14 1 1 A 58 58 ILE N N 58 118.096 121.553 -3.457 1
1 726 . 14 1 1 A 59 59 SER H H 59 8.563 7.891 0.672 1
1 727 . 14 1 1 A 59 59 SER HA H 59 4.010 4.115 -0.105 1
1 728 . 14 1 1 A 59 59 SER C C 59 177.731 177.218 0.513 1
1 729 . 14 1 1 A 59 59 SER CA C 59 62.459 61.398 1.061 1
1 730 . 14 1 1 A 59 59 SER N N 59 117.208 115.637 1.571 1
1 731 . 14 1 1 A 60 60 GLN H H 60 8.471 8.115 0.356 1
1 732 . 14 1 1 A 60 60 GLN HA H 60 4.228 3.966 0.262 1
1 739 . 14 1 1 A 60 60 GLN C C 60 177.958 177.735 0.223 1
1 740 . 14 1 1 A 60 60 GLN CA C 60 58.233 58.429 -0.196 1
1 741 . 14 1 1 A 60 60 GLN CB C 60 27.288 28.695 -1.407 1
1 744 . 14 1 1 A 60 60 GLN N N 60 121.780 120.586 1.194 1
1 746 . 14 1 1 A 61 61 ALA H H 61 8.504 8.233 0.271 1
1 747 . 14 1 1 A 61 61 ALA HA H 61 3.947 3.921 0.026 1
1 751 . 14 1 1 A 61 61 ALA C C 61 179.360 179.499 -0.139 1
1 752 . 14 1 1 A 61 61 ALA CA C 61 55.413 55.104 0.309 1
1 753 . 14 1 1 A 61 61 ALA CB C 61 18.124 18.280 -0.156 1
1 754 . 14 1 1 A 61 61 ALA N N 61 122.352 122.272 0.080 1
1 755 . 14 1 1 A 62 62 LYS H H 62 8.776 7.942 0.834 1
1 756 . 14 1 1 A 62 62 LYS HA H 62 3.722 3.997 -0.275 1
1 765 . 14 1 1 A 62 62 LYS C C 62 179.330 178.693 0.637 1
1 766 . 14 1 1 A 62 62 LYS CA C 62 60.632 59.082 1.550 1
1 767 . 14 1 1 A 62 62 LYS CB C 62 32.580 31.796 0.784 1
1 771 . 14 1 1 A 62 62 LYS N N 62 117.072 116.662 0.410 1
1 772 . 14 1 1 A 63 63 LEU H H 63 7.670 7.711 -0.041 1
1 773 . 14 1 1 A 63 63 LEU HA H 63 4.233 4.004 0.229 1
1 783 . 14 1 1 A 63 63 LEU C C 63 180.902 178.300 2.602 1
1 784 . 14 1 1 A 63 63 LEU CA C 63 58.446 58.185 0.261 1
1 785 . 14 1 1 A 63 63 LEU CB C 63 41.598 41.645 -0.047 1
1 789 . 14 1 1 A 63 63 LEU N N 63 121.196 120.934 0.262 1
1 790 . 14 1 1 A 64 64 LEU H H 64 8.585 8.029 0.556 1
1 791 . 14 1 1 A 64 64 LEU HA H 64 4.088 4.036 0.052 1
1 801 . 14 1 1 A 64 64 LEU C C 64 180.869 179.396 1.473 1
1 802 . 14 1 1 A 64 64 LEU CA C 64 57.782 57.712 0.070 1
1 803 . 14 1 1 A 64 64 LEU CB C 64 42.760 41.410 1.350 1
1 807 . 14 1 1 A 64 64 LEU N N 64 121.842 118.517 3.325 1
1 808 . 14 1 1 A 65 65 LEU H H 65 9.100 8.033 1.067 1
1 809 . 14 1 1 A 65 65 LEU HA H 65 4.346 4.069 0.277 1
1 819 . 14 1 1 A 65 65 LEU C C 65 178.659 178.094 0.565 1
1 820 . 14 1 1 A 65 65 LEU CA C 65 57.408 57.362 0.046 1
1 821 . 14 1 1 A 65 65 LEU CB C 65 43.013 40.888 2.125 1
1 825 . 14 1 1 A 65 65 LEU N N 65 119.872 119.795 0.077 1
1 826 . 14 1 1 A 66 66 SER H H 66 8.303 7.959 0.344 1
1 827 . 14 1 1 A 66 66 SER HA H 66 4.211 4.432 -0.221 1
1 829 . 14 1 1 A 66 66 SER C C 66 176.580 176.889 -0.309 1
1 830 . 14 1 1 A 66 66 SER CA C 66 60.155 60.953 -0.798 1
1 831 . 14 1 1 A 66 66 SER CB C 66 65.198 63.331 1.867 1
1 832 . 14 1 1 A 66 66 SER N N 66 110.490 114.435 -3.945 1
1 833 . 14 1 1 A 67 67 THR H H 67 7.901 7.619 0.282 1
1 834 . 14 1 1 A 67 67 THR HA H 67 4.812 4.353 0.459 1
1 839 . 14 1 1 A 67 67 THR C C 67 174.240 174.347 -0.107 1
1 840 . 14 1 1 A 67 67 THR CA C 67 62.400 63.602 -1.202 1
1 841 . 14 1 1 A 67 67 THR CB C 67 71.512 69.640 1.872 1
1 843 . 14 1 1 A 67 67 THR N N 67 108.414 114.387 -5.973 1
1 844 . 14 1 1 A 68 68 THR H H 68 7.507 7.618 -0.111 1
1 845 . 14 1 1 A 68 68 THR HA H 68 5.096 4.806 0.290 1
1 850 . 14 1 1 A 68 68 THR C C 68 174.263 173.922 0.341 1
1 851 . 14 1 1 A 68 68 THR CA C 68 60.124 59.662 0.462 1
1 852 . 14 1 1 A 68 68 THR CB C 68 72.795 72.164 0.631 1
1 854 . 14 1 1 A 68 68 THR N N 68 111.673 110.651 1.022 1
1 855 . 14 1 1 A 69 69 ARG H H 69 8.767 8.646 0.121 1
1 856 . 14 1 1 A 69 69 ARG HA H 69 4.422 4.625 -0.203 1
1 863 . 14 1 1 A 69 69 ARG C C 69 176.568 176.073 0.495 1
1 864 . 14 1 1 A 69 69 ARG CA C 69 53.692 55.324 -1.632 1
1 865 . 14 1 1 A 69 69 ARG CB C 69 28.814 30.471 -1.657 1
1 868 . 14 1 1 A 69 69 ARG N N 69 118.034 119.099 -1.065 1
1 869 . 14 1 1 A 70 70 MET H H 70 7.996 7.134 0.862 1
1 870 . 14 1 1 A 70 70 MET HA H 70 4.470 4.538 -0.068 1
1 878 . 14 1 1 A 70 70 MET CA C 70 55.386 55.383 0.003 1
1 879 . 14 1 1 A 70 70 MET CB C 70 34.080 32.362 1.718 1
1 882 . 14 1 1 A 70 70 MET N N 70 122.491 120.848 1.643 1
1 883 . 14 1 1 A 71 71 PRO HA H 71 4.574 4.516 0.058 1
1 890 . 14 1 1 A 71 71 PRO C C 71 177.204 177.142 0.062 1
1 891 . 14 1 1 A 71 71 PRO CA C 71 62.915 62.426 0.489 1
1 892 . 14 1 1 A 71 71 PRO CB C 71 32.380 32.917 -0.537 1
1 895 . 14 1 1 A 72 72 ILE H H 72 8.782 8.395 0.387 1
1 896 . 14 1 1 A 72 72 ILE HA H 72 3.407 3.793 -0.386 1
1 906 . 14 1 1 A 72 72 ILE C C 72 177.760 178.145 -0.385 1
1 907 . 14 1 1 A 72 72 ILE CA C 72 65.627 64.545 1.082 1
1 908 . 14 1 1 A 72 72 ILE CB C 72 36.771 37.660 -0.889 1
1 912 . 14 1 1 A 72 72 ILE N N 72 124.417 122.193 2.224 1
1 913 . 14 1 1 A 73 73 ALA H H 73 9.109 8.107 1.002 1
1 914 . 14 1 1 A 73 73 ALA HA H 73 3.974 4.068 -0.094 1
1 918 . 14 1 1 A 73 73 ALA C C 73 180.248 179.575 0.673 1
1 919 . 14 1 1 A 73 73 ALA CA C 73 55.232 55.282 -0.050 1
1 920 . 14 1 1 A 73 73 ALA CB C 73 18.338 18.235 0.103 1
1 921 . 14 1 1 A 73 73 ALA N N 73 119.077 123.625 -4.548 1
1 922 . 14 1 1 A 74 74 THR H H 74 7.112 7.976 -0.864 1
1 923 . 14 1 1 A 74 74 THR HA H 74 3.875 3.934 -0.059 1
1 928 . 14 1 1 A 74 74 THR C C 74 175.761 176.279 -0.518 1
1 929 . 14 1 1 A 74 74 THR CA C 74 65.841 66.699 -0.858 1
1 930 . 14 1 1 A 74 74 THR CB C 74 68.248 67.980 0.268 1
1 932 . 14 1 1 A 74 74 THR N N 74 114.866 114.930 -0.064 1
1 933 . 14 1 1 A 75 75 VAL H H 75 8.087 8.020 0.067 1
1 934 . 14 1 1 A 75 75 VAL HA H 75 3.305 3.454 -0.149 1
1 942 . 14 1 1 A 75 75 VAL C C 75 177.048 177.495 -0.447 1
1 943 . 14 1 1 A 75 75 VAL CA C 75 67.681 66.388 1.293 1
1 944 . 14 1 1 A 75 75 VAL CB C 75 30.831 31.163 -0.332 1
1 947 . 14 1 1 A 75 75 VAL N N 75 123.901 121.405 2.496 1
1 948 . 14 1 1 A 76 76 GLY H H 76 7.673 7.866 -0.193 1
1 949 . 14 1 1 A 76 76 GLY HA2 H 76 2.235 3.192 -0.957 1
1 950 . 14 1 1 A 76 76 GLY HA3 H 76 3.003 3.617 -0.614 1
1 951 . 14 1 1 A 76 76 GLY C C 76 176.562 175.620 0.942 1
1 952 . 14 1 1 A 76 76 GLY CA C 76 46.293 46.882 -0.589 1
1 953 . 14 1 1 A 76 76 GLY N N 76 102.438 107.014 -4.576 1
1 954 . 14 1 1 A 77 77 ARG H H 77 7.760 7.554 0.206 1
1 955 . 14 1 1 A 77 77 ARG HA H 77 3.982 4.009 -0.027 1
1 962 . 14 1 1 A 77 77 ARG C C 77 180.332 178.781 1.551 1
1 963 . 14 1 1 A 77 77 ARG CA C 77 59.550 59.250 0.300 1
1 964 . 14 1 1 A 77 77 ARG CB C 77 30.085 29.985 0.100 1
1 967 . 14 1 1 A 77 77 ARG N N 77 122.228 121.756 0.472 1
1 968 . 14 1 1 A 78 78 ASN H H 78 8.230 7.541 0.689 1
1 969 . 14 1 1 A 78 78 ASN HA H 78 4.397 4.444 -0.047 1
1 974 . 14 1 1 A 78 78 ASN C C 78 176.105 176.800 -0.695 1
1 975 . 14 1 1 A 78 78 ASN CA C 78 55.615 56.075 -0.460 1
1 976 . 14 1 1 A 78 78 ASN CB C 78 38.806 38.614 0.192 1
1 978 . 14 1 1 A 78 78 ASN N N 78 119.139 117.298 1.841 1
1 980 . 14 1 1 A 79 79 VAL H H 79 7.323 7.160 0.163 1
1 981 . 14 1 1 A 79 79 VAL HA H 79 4.438 4.383 0.055 1
1 989 . 14 1 1 A 79 79 VAL C C 79 174.220 175.816 -1.596 1
1 990 . 14 1 1 A 79 79 VAL CA C 79 59.911 60.570 -0.659 1
1 991 . 14 1 1 A 79 79 VAL CB C 79 31.400 30.958 0.442 1
1 994 . 14 1 1 A 79 79 VAL N N 79 108.664 110.871 -2.207 1
1 995 . 14 1 1 A 80 80 GLY H H 80 7.286 7.885 -0.599 1
1 996 . 14 1 1 A 80 80 GLY HA2 H 80 3.540 3.958 -0.418 1
1 997 . 14 1 1 A 80 80 GLY HA3 H 80 4.023 3.999 0.024 1
1 998 . 14 1 1 A 80 80 GLY C C 80 174.383 174.747 -0.364 1
1 999 . 14 1 1 A 80 80 GLY CA C 80 45.739 45.981 -0.242 1
1 1000 . 14 1 1 A 80 80 GLY N N 80 104.635 110.085 -5.450 1
1 1001 . 14 1 1 A 81 81 PHE H H 81 8.535 8.196 0.339 1
1 1002 . 14 1 1 A 81 81 PHE HA H 81 4.845 4.491 0.354 1
1 1010 . 14 1 1 A 81 81 PHE C C 81 174.570 175.989 -1.419 1
1 1011 . 14 1 1 A 81 81 PHE CA C 81 56.375 58.870 -2.495 1
1 1012 . 14 1 1 A 81 81 PHE CB C 81 39.941 38.693 1.248 1
1 1018 . 14 1 1 A 81 81 PHE N N 81 119.772 119.492 0.280 1
1 1019 . 14 1 1 A 82 82 ASP H H 82 8.564 8.907 -0.343 1
1 1020 . 14 1 1 A 82 82 ASP HA H 82 4.491 4.564 -0.073 1
1 1023 . 14 1 1 A 82 82 ASP C C 82 175.170 176.139 -0.969 1
1 1024 . 14 1 1 A 82 82 ASP CA C 82 55.195 55.625 -0.430 1
1 1025 . 14 1 1 A 82 82 ASP CB C 82 41.010 41.271 -0.261 1
1 1026 . 14 1 1 A 82 82 ASP N N 82 123.028 123.847 -0.819 1
1 1027 . 14 1 1 A 83 83 ASP H H 83 7.789 7.924 -0.135 1
1 1028 . 14 1 1 A 83 83 ASP HA H 83 4.947 4.967 -0.020 1
1 1031 . 14 1 1 A 83 83 ASP C C 83 176.347 177.023 -0.676 1
1 1032 . 14 1 1 A 83 83 ASP CA C 83 52.690 53.919 -1.229 1
1 1033 . 14 1 1 A 83 83 ASP CB C 83 43.152 41.977 1.175 1
1 1034 . 14 1 1 A 83 83 ASP N N 83 118.576 120.006 -1.430 1
1 1035 . 14 1 1 A 84 84 GLN H H 84 9.104 8.776 0.328 1
1 1036 . 14 1 1 A 84 84 GLN HA H 84 4.333 4.181 0.152 1
1 1043 . 14 1 1 A 84 84 GLN C C 84 177.986 178.194 -0.208 1
1 1044 . 14 1 1 A 84 84 GLN CA C 84 58.909 58.930 -0.021 1
1 1045 . 14 1 1 A 84 84 GLN CB C 84 28.267 27.868 0.399 1
1 1048 . 14 1 1 A 84 84 GLN N N 84 126.543 124.588 1.955 1
1 1050 . 14 1 1 A 85 85 LEU H H 85 8.419 8.174 0.245 1
1 1051 . 14 1 1 A 85 85 LEU HA H 85 4.210 4.372 -0.162 1
1 1061 . 14 1 1 A 85 85 LEU C C 85 179.472 179.009 0.463 1
1 1062 . 14 1 1 A 85 85 LEU CA C 85 57.958 57.681 0.277 1
1 1063 . 14 1 1 A 85 85 LEU CB C 85 40.678 42.029 -1.351 1
1 1067 . 14 1 1 A 85 85 LEU N N 85 123.486 121.443 2.043 1
1 1068 . 14 1 1 A 86 86 TYR H H 86 8.042 8.546 -0.504 1
1 1069 . 14 1 1 A 86 86 TYR HA H 86 4.288 4.195 0.093 1
1 1076 . 14 1 1 A 86 86 TYR C C 86 177.195 177.652 -0.457 1
1 1077 . 14 1 1 A 86 86 TYR CA C 86 60.367 61.808 -1.441 1
1 1078 . 14 1 1 A 86 86 TYR CB C 86 38.184 38.518 -0.334 1
1 1083 . 14 1 1 A 86 86 TYR N N 86 122.679 120.088 2.591 1
1 1084 . 14 1 1 A 87 87 PHE H H 87 8.219 8.242 -0.023 1
1 1085 . 14 1 1 A 87 87 PHE HA H 87 3.261 4.001 -0.740 1
1 1093 . 14 1 1 A 87 87 PHE C C 87 175.875 177.763 -1.888 1
1 1094 . 14 1 1 A 87 87 PHE CA C 87 58.536 62.179 -3.643 1
1 1095 . 14 1 1 A 87 87 PHE CB C 87 38.124 39.294 -1.170 1
1 1101 . 14 1 1 A 87 87 PHE N N 87 116.536 121.064 -4.528 1
1 1102 . 14 1 1 A 88 88 SER H H 88 8.082 8.245 -0.163 1
1 1103 . 14 1 1 A 88 88 SER HA H 88 3.951 3.862 0.089 1
1 1105 . 14 1 1 A 88 88 SER C C 88 175.926 177.043 -1.117 1
1 1106 . 14 1 1 A 88 88 SER CA C 88 62.398 61.554 0.844 1
1 1107 . 14 1 1 A 88 88 SER N N 88 112.937 113.631 -0.694 1
1 1108 . 14 1 1 A 89 89 ARG H H 89 7.843 8.177 -0.334 1
1 1109 . 14 1 1 A 89 89 ARG HA H 89 3.975 4.111 -0.136 1
1 1116 . 14 1 1 A 89 89 ARG C C 89 179.414 178.875 0.539 1
1 1117 . 14 1 1 A 89 89 ARG CA C 89 59.452 59.249 0.203 1
1 1118 . 14 1 1 A 89 89 ARG CB C 89 30.242 30.115 0.127 1
1 1121 . 14 1 1 A 89 89 ARG N N 89 121.621 122.194 -0.573 1
1 1122 . 14 1 1 A 90 90 VAL H H 90 8.235 7.849 0.386 1
1 1123 . 14 1 1 A 90 90 VAL HA H 90 3.530 3.571 -0.041 1
1 1131 . 14 1 1 A 90 90 VAL C C 90 177.752 178.077 -0.325 1
1 1132 . 14 1 1 A 90 90 VAL CA C 90 66.208 66.256 -0.048 1
1 1133 . 14 1 1 A 90 90 VAL CB C 90 31.649 31.853 -0.204 1
1 1136 . 14 1 1 A 90 90 VAL N N 90 122.095 119.953 2.142 1
1 1137 . 14 1 1 A 91 91 PHE H H 91 8.763 8.601 0.162 1
1 1138 . 14 1 1 A 91 91 PHE HA H 91 3.584 3.885 -0.301 1
1 1141 . 14 1 1 A 91 91 PHE C C 91 178.386 177.707 0.679 1
1 1142 . 14 1 1 A 91 91 PHE CA C 91 62.523 60.635 1.888 1
1 1143 . 14 1 1 A 91 91 PHE CB C 91 39.528 38.447 1.081 1
1 1144 . 14 1 1 A 91 91 PHE N N 91 121.769 120.084 1.685 1
1 1145 . 14 1 1 A 92 92 LYS H H 92 8.237 8.258 -0.021 1
1 1146 . 14 1 1 A 92 92 LYS HA H 92 4.217 4.257 -0.040 1
1 1153 . 14 1 1 A 92 92 LYS C C 92 179.621 178.761 0.860 1
1 1154 . 14 1 1 A 92 92 LYS CA C 92 58.597 59.295 -0.698 1
1 1155 . 14 1 1 A 92 92 LYS CB C 92 32.290 31.780 0.510 1
1 1159 . 14 1 1 A 92 92 LYS N N 92 121.441 118.563 2.878 1
1 1160 . 14 1 1 A 93 93 LYS H H 93 8.013 7.694 0.319 1
1 1161 . 14 1 1 A 93 93 LYS HA H 93 3.956 4.093 -0.137 1
1 1169 . 14 1 1 A 93 93 LYS C C 93 178.611 178.645 -0.034 1
1 1170 . 14 1 1 A 93 93 LYS CA C 93 59.356 58.985 0.371 1
1 1171 . 14 1 1 A 93 93 LYS CB C 93 31.785 32.005 -0.220 1
1 1175 . 14 1 1 A 93 93 LYS N N 93 122.286 118.114 4.172 1
1 1176 . 14 1 1 A 94 94 CYS H H 94 7.818 7.521 0.297 1
1 1177 . 14 1 1 A 94 94 CYS HA H 94 4.224 4.174 0.050 1
1 1180 . 14 1 1 A 94 94 CYS C C 94 176.440 176.475 -0.035 1
1 1181 . 14 1 1 A 94 94 CYS CA C 94 62.517 61.583 0.934 1
1 1182 . 14 1 1 A 94 94 CYS CB C 94 28.104 27.276 0.828 1
1 1183 . 14 1 1 A 94 94 CYS N N 94 113.581 118.992 -5.411 1
1 1184 . 14 1 1 A 95 95 THR H H 95 8.038 7.488 0.550 1
1 1185 . 14 1 1 A 95 95 THR HA H 95 4.397 4.286 0.111 1
1 1190 . 14 1 1 A 95 95 THR C C 95 176.237 176.105 0.132 1
1 1191 . 14 1 1 A 95 95 THR CA C 95 62.507 62.103 0.404 1
1 1192 . 14 1 1 A 95 95 THR CB C 95 71.481 70.333 1.148 1
1 1194 . 14 1 1 A 95 95 THR N N 95 106.903 108.760 -1.857 1
1 1195 . 14 1 1 A 96 96 GLY H H 96 8.526 9.212 -0.686 1
1 1196 . 14 1 1 A 96 96 GLY HA2 H 96 3.724 3.847 -0.123 1
1 1197 . 14 1 1 A 96 96 GLY HA3 H 96 4.374 3.861 0.513 1
1 1198 . 14 1 1 A 96 96 GLY C C 96 172.550 173.309 -0.759 1
1 1199 . 14 1 1 A 96 96 GLY CA C 96 45.264 45.369 -0.105 1
1 1200 . 14 1 1 A 96 96 GLY N N 96 112.762 111.954 0.808 1
1 1201 . 14 1 1 A 97 97 ALA H H 97 8.560 7.528 1.032 1
1 1202 . 14 1 1 A 97 97 ALA HA H 97 4.841 4.866 -0.025 1
1 1206 . 14 1 1 A 97 97 ALA C C 97 175.280 175.884 -0.604 1
1 1207 . 14 1 1 A 97 97 ALA CA C 97 50.176 51.065 -0.889 1
1 1208 . 14 1 1 A 97 97 ALA CB C 97 22.551 22.149 0.402 1
1 1209 . 14 1 1 A 97 97 ALA N N 97 125.656 120.936 4.720 1
1 1210 . 14 1 1 A 98 98 SER H H 98 8.817 8.717 0.100 1
1 1211 . 14 1 1 A 98 98 SER HA H 98 4.656 4.820 -0.164 1
1 1212 . 14 1 1 A 98 98 SER CA C 98 56.612 56.296 0.316 1
1 1213 . 14 1 1 A 98 98 SER N N 98 114.919 114.719 0.200 1
1 1214 . 14 1 1 A 99 99 PRO HA H 99 3.500 4.427 -0.927 1
1 1220 . 14 1 1 A 99 99 PRO C C 99 177.585 177.950 -0.365 1
1 1221 . 14 1 1 A 99 99 PRO CA C 99 66.202 64.595 1.607 1
1 1222 . 14 1 1 A 99 99 PRO CB C 99 32.030 31.982 0.048 1
1 1225 . 14 1 1 A 100 100 SER H H 100 8.254 8.069 0.185 1
1 1226 . 14 1 1 A 100 100 SER HA H 100 4.029 4.292 -0.263 1
1 1227 . 14 1 1 A 100 100 SER C C 100 177.441 177.022 0.419 1
1 1228 . 14 1 1 A 100 100 SER CA C 100 61.891 60.993 0.898 1
1 1229 . 14 1 1 A 100 100 SER N N 100 111.230 112.217 -0.987 1
1 1230 . 14 1 1 A 101 101 GLU H H 101 7.848 7.432 0.416 1
1 1231 . 14 1 1 A 101 101 GLU HA H 101 4.021 4.068 -0.047 1
1 1236 . 14 1 1 A 101 101 GLU C C 101 179.288 178.745 0.543 1
1 1237 . 14 1 1 A 101 101 GLU CA C 101 58.822 59.337 -0.515 1
1 1238 . 14 1 1 A 101 101 GLU CB C 101 29.846 29.589 0.257 1
1 1240 . 14 1 1 A 101 101 GLU N N 101 125.150 121.481 3.669 1
1 1241 . 14 1 1 A 102 102 PHE H H 102 8.923 8.096 0.827 1
1 1242 . 14 1 1 A 102 102 PHE HA H 102 4.155 4.149 0.006 1
1 1245 . 14 1 1 A 102 102 PHE C C 102 178.343 177.462 0.881 1
1 1246 . 14 1 1 A 102 102 PHE CA C 102 61.315 61.657 -0.342 1
1 1247 . 14 1 1 A 102 102 PHE CB C 102 40.083 39.444 0.639 1
1 1248 . 14 1 1 A 102 102 PHE N N 102 121.281 120.593 0.688 1
1 1249 . 14 1 1 A 103 103 ARG H H 103 8.210 8.408 -0.198 1
1 1250 . 14 1 1 A 103 103 ARG HA H 103 3.830 4.030 -0.200 1
1 1257 . 14 1 1 A 103 103 ARG C C 103 177.602 178.398 -0.796 1
1 1258 . 14 1 1 A 103 103 ARG CA C 103 59.235 59.669 -0.434 1
1 1261 . 14 1 1 A 103 103 ARG N N 103 119.223 118.806 0.417 1
1 1262 . 14 1 1 A 104 104 ALA H H 104 7.905 7.193 0.712 1
1 1263 . 14 1 1 A 104 104 ALA HA H 104 4.186 4.261 -0.075 1
1 1267 . 14 1 1 A 104 104 ALA C C 104 179.126 178.032 1.094 1
1 1268 . 14 1 1 A 104 104 ALA CA C 104 54.188 52.627 1.561 1
1 1269 . 14 1 1 A 104 104 ALA CB C 104 18.254 19.539 -1.285 1
1 1270 . 14 1 1 A 104 104 ALA N N 104 120.546 119.356 1.190 1
1 1271 . 14 1 1 A 105 105 GLY H H 105 7.676 7.877 -0.201 1
1 1272 . 14 1 1 A 105 105 GLY HA2 H 105 3.849 3.750 0.099 1
1 1273 . 14 1 1 A 105 105 GLY HA3 H 105 4.052 3.849 0.203 1
1 1274 . 14 1 1 A 105 105 GLY C C 105 174.515 174.026 0.489 1
1 1275 . 14 1 1 A 105 105 GLY CA C 105 45.317 45.118 0.199 1
1 1276 . 14 1 1 A 105 105 GLY N N 105 104.677 106.744 -2.067 1
1 1277 . 14 1 1 A 106 106 CYS H H 106 7.599 7.878 -0.279 1
1 1278 . 14 1 1 A 106 106 CYS HA H 106 4.447 4.449 -0.002 1
1 1281 . 14 1 1 A 106 106 CYS C C 106 173.823 174.040 -0.217 1
1 1282 . 14 1 1 A 106 106 CYS CA C 106 59.123 59.395 -0.272 1
1 1283 . 14 1 1 A 106 106 CYS CB C 106 28.004 28.312 -0.308 1
1 1284 . 14 1 1 A 106 106 CYS N N 106 118.321 120.041 -1.720 1
1 14 . 15 1 1 A 2 2 ASP H H 2 8.989 8.683 0.306 1
1 15 . 15 1 1 A 2 2 ASP HA H 2 4.662 4.811 -0.149 1
1 18 . 15 1 1 A 2 2 ASP C C 2 177.024 176.477 0.547 1
1 19 . 15 1 1 A 2 2 ASP CA C 2 54.092 53.660 0.432 1
1 20 . 15 1 1 A 2 2 ASP CB C 2 42.743 41.748 0.995 1
1 21 . 15 1 1 A 2 2 ASP N N 2 126.287 126.258 0.029 1
1 22 . 15 1 1 A 3 3 ASN H H 3 9.165 9.194 -0.029 1
1 23 . 15 1 1 A 3 3 ASN HA H 3 4.446 4.307 0.139 1
1 28 . 15 1 1 A 3 3 ASN C C 3 177.306 177.282 0.024 1
1 29 . 15 1 1 A 3 3 ASN CA C 3 56.355 56.587 -0.232 1
1 30 . 15 1 1 A 3 3 ASN CB C 3 38.382 38.127 0.255 1
1 32 . 15 1 1 A 3 3 ASN N N 3 124.055 121.282 2.773 1
1 34 . 15 1 1 A 4 4 ARG H H 4 9.092 7.954 1.138 1
1 35 . 15 1 1 A 4 4 ARG HA H 4 4.183 3.950 0.233 1
1 42 . 15 1 1 A 4 4 ARG C C 4 178.824 178.722 0.102 1
1 43 . 15 1 1 A 4 4 ARG CA C 4 59.401 59.324 0.077 1
1 44 . 15 1 1 A 4 4 ARG CB C 4 29.437 29.850 -0.413 1
1 47 . 15 1 1 A 4 4 ARG N N 4 119.970 118.791 1.179 1
1 48 . 15 1 1 A 5 5 VAL H H 5 7.588 7.709 -0.121 1
1 49 . 15 1 1 A 5 5 VAL HA H 5 3.458 3.561 -0.103 1
1 57 . 15 1 1 A 5 5 VAL C C 5 177.573 177.928 -0.355 1
1 58 . 15 1 1 A 5 5 VAL CA C 5 66.543 66.596 -0.053 1
1 59 . 15 1 1 A 5 5 VAL CB C 5 31.294 31.288 0.006 1
1 62 . 15 1 1 A 5 5 VAL N N 5 119.312 119.403 -0.091 1
1 63 . 15 1 1 A 6 6 ARG H H 6 7.920 7.858 0.062 1
1 64 . 15 1 1 A 6 6 ARG HA H 6 3.860 3.882 -0.022 1
1 71 . 15 1 1 A 6 6 ARG C C 6 179.380 178.750 0.630 1
1 72 . 15 1 1 A 6 6 ARG CA C 6 60.197 59.426 0.771 1
1 73 . 15 1 1 A 6 6 ARG CB C 6 29.818 30.023 -0.205 1
1 76 . 15 1 1 A 6 6 ARG N N 6 120.863 119.852 1.011 1
1 77 . 15 1 1 A 7 7 GLU H H 7 8.262 8.102 0.160 1
1 78 . 15 1 1 A 7 7 GLU HA H 7 4.241 4.063 0.178 1
1 83 . 15 1 1 A 7 7 GLU C C 7 179.131 179.316 -0.185 1
1 84 . 15 1 1 A 7 7 GLU CA C 7 58.770 59.261 -0.491 1
1 85 . 15 1 1 A 7 7 GLU CB C 7 28.883 29.388 -0.505 1
1 87 . 15 1 1 A 7 7 GLU N N 7 119.166 119.311 -0.145 1
1 88 . 15 1 1 A 8 8 ALA H H 8 8.421 7.825 0.596 1
1 89 . 15 1 1 A 8 8 ALA HA H 8 4.046 4.400 -0.354 1
1 93 . 15 1 1 A 8 8 ALA C C 8 179.202 179.927 -0.725 1
1 94 . 15 1 1 A 8 8 ALA CA C 8 55.610 55.265 0.345 1
1 95 . 15 1 1 A 8 8 ALA CB C 8 18.512 18.595 -0.083 1
1 96 . 15 1 1 A 8 8 ALA N N 8 123.947 122.684 1.263 1
1 97 . 15 1 1 A 9 9 CYS H H 9 8.490 7.931 0.559 1
1 98 . 15 1 1 A 9 9 CYS HA H 9 3.767 4.314 -0.547 1
1 101 . 15 1 1 A 9 9 CYS C C 9 176.858 177.187 -0.329 1
1 102 . 15 1 1 A 9 9 CYS CA C 9 64.480 62.495 1.985 1
1 103 . 15 1 1 A 9 9 CYS CB C 9 26.690 27.261 -0.571 1
1 104 . 15 1 1 A 9 9 CYS N N 9 116.232 118.258 -2.026 1
1 105 . 15 1 1 A 10 10 GLN H H 10 8.088 8.180 -0.092 1
1 106 . 15 1 1 A 10 10 GLN HA H 10 4.022 4.212 -0.190 1
1 113 . 15 1 1 A 10 10 GLN C C 10 177.140 177.969 -0.829 1
1 114 . 15 1 1 A 10 10 GLN CA C 10 58.804 58.736 0.068 1
1 115 . 15 1 1 A 10 10 GLN CB C 10 28.299 28.745 -0.446 1
1 118 . 15 1 1 A 10 10 GLN N N 10 120.817 120.779 0.038 1
1 120 . 15 1 1 A 11 11 TYR H H 11 8.367 7.763 0.604 1
1 121 . 15 1 1 A 11 11 TYR HA H 11 4.308 4.152 0.156 1
1 128 . 15 1 1 A 11 11 TYR C C 11 178.986 177.183 1.803 1
1 129 . 15 1 1 A 11 11 TYR CA C 11 61.850 61.461 0.389 1
1 130 . 15 1 1 A 11 11 TYR CB C 11 38.653 38.486 0.167 1
1 135 . 15 1 1 A 11 11 TYR N N 11 120.419 120.820 -0.401 1
1 136 . 15 1 1 A 12 12 ILE H H 12 8.886 8.394 0.492 1
1 137 . 15 1 1 A 12 12 ILE HA H 12 3.700 3.299 0.401 1
1 147 . 15 1 1 A 12 12 ILE C C 12 179.352 177.879 1.473 1
1 148 . 15 1 1 A 12 12 ILE CA C 12 65.621 65.289 0.332 1
1 149 . 15 1 1 A 12 12 ILE CB C 12 38.203 37.950 0.253 1
1 153 . 15 1 1 A 12 12 ILE N N 12 119.720 121.480 -1.760 1
1 154 . 15 1 1 A 13 13 SER H H 13 8.740 8.474 0.266 1
1 155 . 15 1 1 A 13 13 SER HA H 13 4.753 4.054 0.699 1
1 158 . 15 1 1 A 13 13 SER C C 13 176.355 176.904 -0.549 1
1 159 . 15 1 1 A 13 13 SER CA C 13 62.551 61.520 1.031 1
1 160 . 15 1 1 A 13 13 SER CB C 13 62.468 62.954 -0.486 1
1 161 . 15 1 1 A 13 13 SER N N 13 116.217 116.464 -0.247 1
1 162 . 15 1 1 A 14 14 ASP H H 14 8.426 7.979 0.447 1
1 163 . 15 1 1 A 14 14 ASP HA H 14 4.438 4.502 -0.064 1
1 166 . 15 1 1 A 14 14 ASP C C 14 176.838 177.478 -0.640 1
1 167 . 15 1 1 A 14 14 ASP CA C 14 55.988 56.665 -0.677 1
1 168 . 15 1 1 A 14 14 ASP CB C 14 40.500 40.787 -0.287 1
1 169 . 15 1 1 A 14 14 ASP N N 14 121.201 121.660 -0.459 1
1 170 . 15 1 1 A 15 15 HIS H H 15 7.530 7.722 -0.192 1
1 171 . 15 1 1 A 15 15 HIS HA H 15 4.661 4.735 -0.074 1
1 176 . 15 1 1 A 15 15 HIS C C 15 175.451 175.619 -0.168 1
1 177 . 15 1 1 A 15 15 HIS CA C 15 55.320 54.960 0.360 1
1 178 . 15 1 1 A 15 15 HIS CB C 15 28.275 29.566 -1.291 1
1 181 . 15 1 1 A 15 15 HIS N N 15 116.777 115.632 1.145 1
1 182 . 15 1 1 A 16 16 LEU H H 16 7.271 7.403 -0.132 1
1 183 . 15 1 1 A 16 16 LEU HA H 16 3.812 3.829 -0.017 1
1 193 . 15 1 1 A 16 16 LEU C C 16 176.627 178.172 -1.545 1
1 194 . 15 1 1 A 16 16 LEU CA C 16 58.076 57.665 0.411 1
1 195 . 15 1 1 A 16 16 LEU CB C 16 42.531 41.522 1.009 1
1 199 . 15 1 1 A 16 16 LEU N N 16 122.531 122.457 0.074 1
1 200 . 15 1 1 A 17 17 ALA H H 17 8.243 7.226 1.017 1
1 201 . 15 1 1 A 17 17 ALA HA H 17 3.937 4.226 -0.289 1
1 205 . 15 1 1 A 17 17 ALA C C 17 177.131 177.027 0.104 1
1 206 . 15 1 1 A 17 17 ALA CA C 17 51.802 51.813 -0.011 1
1 207 . 15 1 1 A 17 17 ALA CB C 17 18.473 20.014 -1.541 1
1 208 . 15 1 1 A 17 17 ALA N N 17 116.354 119.517 -3.163 1
1 209 . 15 1 1 A 18 18 ASP H H 18 7.488 7.496 -0.008 1
1 210 . 15 1 1 A 18 18 ASP HA H 18 4.455 4.460 -0.005 1
1 213 . 15 1 1 A 18 18 ASP C C 18 177.370 176.000 1.370 1
1 214 . 15 1 1 A 18 18 ASP CA C 18 54.571 54.400 0.171 1
1 215 . 15 1 1 A 18 18 ASP CB C 18 40.521 42.676 -2.155 1
1 216 . 15 1 1 A 18 18 ASP N N 18 119.230 118.926 0.304 1
1 217 . 15 1 1 A 19 19 SER H H 19 8.793 8.813 -0.020 1
1 218 . 15 1 1 A 19 19 SER HA H 19 4.424 4.619 -0.195 1
1 221 . 15 1 1 A 19 19 SER C C 19 174.779 174.905 -0.126 1
1 222 . 15 1 1 A 19 19 SER CA C 19 59.706 60.667 -0.961 1
1 223 . 15 1 1 A 19 19 SER CB C 19 63.351 64.046 -0.695 1
1 224 . 15 1 1 A 19 19 SER N N 19 119.892 118.123 1.769 1
1 225 . 15 1 1 A 20 20 ASN H H 20 8.520 8.066 0.454 1
1 226 . 15 1 1 A 20 20 ASN HA H 20 4.869 4.925 -0.056 1
1 231 . 15 1 1 A 20 20 ASN C C 20 173.838 174.575 -0.737 1
1 232 . 15 1 1 A 20 20 ASN CA C 20 52.586 53.478 -0.892 1
1 233 . 15 1 1 A 20 20 ASN CB C 20 38.799 38.633 0.166 1
1 235 . 15 1 1 A 20 20 ASN N N 20 119.769 119.257 0.512 1
1 237 . 15 1 1 A 21 21 PHE H H 21 8.082 9.067 -0.985 1
1 238 . 15 1 1 A 21 21 PHE HA H 21 4.397 5.246 -0.849 1
1 246 . 15 1 1 A 21 21 PHE C C 21 173.520 173.493 0.027 1
1 247 . 15 1 1 A 21 21 PHE CA C 21 58.672 56.507 2.165 1
1 248 . 15 1 1 A 21 21 PHE CB C 21 40.704 42.241 -1.537 1
1 254 . 15 1 1 A 21 21 PHE N N 21 121.875 126.007 -4.132 1
1 255 . 15 1 1 A 22 22 ASP H H 22 7.570 8.540 -0.970 1
1 256 . 15 1 1 A 22 22 ASP HA H 22 4.563 4.837 -0.274 1
1 259 . 15 1 1 A 22 22 ASP C C 22 175.674 175.819 -0.145 1
1 260 . 15 1 1 A 22 22 ASP CA C 22 52.049 52.408 -0.359 1
1 261 . 15 1 1 A 22 22 ASP CB C 22 43.023 42.420 0.603 1
1 262 . 15 1 1 A 22 22 ASP N N 22 126.780 127.994 -1.214 1
1 263 . 15 1 1 A 23 23 ILE H H 23 8.720 8.423 0.297 1
1 264 . 15 1 1 A 23 23 ILE HA H 23 3.555 3.592 -0.037 1
1 274 . 15 1 1 A 23 23 ILE C C 23 176.441 177.529 -1.088 1
1 275 . 15 1 1 A 23 23 ILE CA C 23 63.650 63.304 0.346 1
1 276 . 15 1 1 A 23 23 ILE CB C 23 37.741 37.598 0.143 1
1 280 . 15 1 1 A 23 23 ILE N N 23 124.815 127.001 -2.186 1
1 281 . 15 1 1 A 24 24 ALA H H 24 8.543 8.426 0.117 1
1 282 . 15 1 1 A 24 24 ALA HA H 24 3.917 4.038 -0.121 1
1 286 . 15 1 1 A 24 24 ALA C C 24 180.227 179.689 0.538 1
1 287 . 15 1 1 A 24 24 ALA CA C 24 55.413 55.349 0.064 1
1 288 . 15 1 1 A 24 24 ALA CB C 24 17.760 17.818 -0.058 1
1 289 . 15 1 1 A 24 24 ALA N N 24 123.943 124.002 -0.059 1
1 290 . 15 1 1 A 25 25 SER H H 25 7.844 8.064 -0.220 1
1 291 . 15 1 1 A 25 25 SER HA H 25 4.246 4.050 0.196 1
1 293 . 15 1 1 A 25 25 SER C C 25 176.667 176.059 0.608 1
1 294 . 15 1 1 A 25 25 SER CA C 25 61.238 61.660 -0.422 1
1 295 . 15 1 1 A 25 25 SER CB C 25 62.402 62.954 -0.552 1
1 296 . 15 1 1 A 25 25 SER N N 25 114.143 113.416 0.727 1
1 297 . 15 1 1 A 26 26 VAL H H 26 7.086 7.864 -0.778 1
1 298 . 15 1 1 A 26 26 VAL HA H 26 3.198 3.730 -0.532 1
1 306 . 15 1 1 A 26 26 VAL C C 26 176.670 177.989 -1.319 1
1 307 . 15 1 1 A 26 26 VAL CA C 26 64.809 66.610 -1.801 1
1 308 . 15 1 1 A 26 26 VAL CB C 26 31.274 31.641 -0.367 1
1 311 . 15 1 1 A 26 26 VAL N N 26 122.369 122.063 0.306 1
1 312 . 15 1 1 A 27 27 ALA H H 27 8.043 7.866 0.177 1
1 313 . 15 1 1 A 27 27 ALA HA H 27 3.775 3.988 -0.213 1
1 317 . 15 1 1 A 27 27 ALA C C 27 178.948 179.301 -0.353 1
1 318 . 15 1 1 A 27 27 ALA CA C 27 55.507 55.705 -0.198 1
1 319 . 15 1 1 A 27 27 ALA CB C 27 17.412 18.144 -0.732 1
1 320 . 15 1 1 A 27 27 ALA N N 27 122.045 122.207 -0.162 1
1 321 . 15 1 1 A 28 28 GLN H H 28 8.089 8.005 0.084 1
1 322 . 15 1 1 A 28 28 GLN HA H 28 4.053 4.046 0.007 1
1 329 . 15 1 1 A 28 28 GLN C C 28 179.289 178.252 1.037 1
1 330 . 15 1 1 A 28 28 GLN CA C 28 58.625 58.302 0.323 1
1 331 . 15 1 1 A 28 28 GLN CB C 28 28.155 28.354 -0.199 1
1 334 . 15 1 1 A 28 28 GLN N N 28 116.168 116.295 -0.127 1
1 336 . 15 1 1 A 29 29 HIS H H 29 7.454 7.964 -0.510 1
1 337 . 15 1 1 A 29 29 HIS HA H 29 4.209 4.081 0.128 1
1 342 . 15 1 1 A 29 29 HIS C C 29 175.895 176.915 -1.020 1
1 343 . 15 1 1 A 29 29 HIS CA C 29 59.132 59.296 -0.164 1
1 344 . 15 1 1 A 29 29 HIS CB C 29 28.947 29.657 -0.710 1
1 347 . 15 1 1 A 29 29 HIS N N 29 118.117 119.651 -1.534 1
1 348 . 15 1 1 A 30 30 VAL H H 30 7.309 7.034 0.275 1
1 349 . 15 1 1 A 30 30 VAL HA H 30 4.441 4.078 0.363 1
1 357 . 15 1 1 A 30 30 VAL C C 30 173.598 175.692 -2.094 1
1 358 . 15 1 1 A 30 30 VAL CA C 30 59.948 60.620 -0.672 1
1 359 . 15 1 1 A 30 30 VAL CB C 30 31.067 31.060 0.007 1
1 362 . 15 1 1 A 30 30 VAL N N 30 106.791 109.751 -2.960 1
1 363 . 15 1 1 A 31 31 CYS H H 31 7.837 8.093 -0.256 1
1 364 . 15 1 1 A 31 31 CYS HA H 31 3.929 4.037 -0.108 1
1 367 . 15 1 1 A 31 31 CYS C C 31 173.679 173.654 0.025 1
1 368 . 15 1 1 A 31 31 CYS CA C 31 59.814 60.069 -0.255 1
1 369 . 15 1 1 A 31 31 CYS CB C 31 24.898 26.257 -1.359 1
1 370 . 15 1 1 A 31 31 CYS N N 31 116.363 120.255 -3.892 1
1 371 . 15 1 1 A 32 32 LEU H H 32 8.061 7.859 0.202 1
1 372 . 15 1 1 A 32 32 LEU HA H 32 4.871 4.771 0.100 1
1 382 . 15 1 1 A 32 32 LEU C C 32 176.243 175.136 1.107 1
1 383 . 15 1 1 A 32 32 LEU CA C 32 52.555 53.602 -1.047 1
1 384 . 15 1 1 A 32 32 LEU CB C 32 48.238 45.676 2.562 1
1 388 . 15 1 1 A 32 32 LEU N N 32 118.159 120.603 -2.444 1
1 389 . 15 1 1 A 33 33 SER H H 33 8.221 8.682 -0.461 1
1 390 . 15 1 1 A 33 33 SER N N 33 116.259 119.738 -3.479 1
1 391 . 15 1 1 A 34 34 PRO HA H 34 3.951 4.347 -0.396 1
1 398 . 15 1 1 A 34 34 PRO C C 34 178.473 178.936 -0.463 1
1 399 . 15 1 1 A 34 34 PRO CA C 34 66.404 64.958 1.446 1
1 400 . 15 1 1 A 34 34 PRO CB C 34 31.712 32.001 -0.289 1
1 403 . 15 1 1 A 35 35 SER H H 35 8.343 8.307 0.036 1
1 404 . 15 1 1 A 35 35 SER HA H 35 4.192 4.208 -0.016 1
1 406 . 15 1 1 A 35 35 SER C C 35 177.361 176.615 0.746 1
1 407 . 15 1 1 A 35 35 SER CA C 35 61.358 61.676 -0.318 1
1 408 . 15 1 1 A 35 35 SER CB C 35 62.140 62.749 -0.609 1
1 409 . 15 1 1 A 35 35 SER N N 35 111.653 114.264 -2.611 1
1 410 . 15 1 1 A 36 36 ARG H H 36 7.868 7.940 -0.072 1
1 411 . 15 1 1 A 36 36 ARG HA H 36 4.243 4.113 0.130 1
1 418 . 15 1 1 A 36 36 ARG C C 36 178.850 179.068 -0.218 1
1 419 . 15 1 1 A 36 36 ARG CA C 36 58.714 59.001 -0.287 1
1 420 . 15 1 1 A 36 36 ARG CB C 36 29.804 29.863 -0.059 1
1 423 . 15 1 1 A 36 36 ARG N N 36 124.303 121.811 2.492 1
1 424 . 15 1 1 A 37 37 LEU H H 37 8.593 7.893 0.700 1
1 425 . 15 1 1 A 37 37 LEU HA H 37 4.052 4.120 -0.068 1
1 435 . 15 1 1 A 37 37 LEU C C 37 177.894 178.972 -1.078 1
1 436 . 15 1 1 A 37 37 LEU CA C 37 58.289 58.427 -0.138 1
1 437 . 15 1 1 A 37 37 LEU CB C 37 40.775 41.732 -0.957 1
1 441 . 15 1 1 A 37 37 LEU N N 37 119.319 121.954 -2.635 1
1 442 . 15 1 1 A 38 38 SER H H 38 8.478 8.314 0.164 1
1 443 . 15 1 1 A 38 38 SER HA H 38 4.066 4.166 -0.100 1
1 444 . 15 1 1 A 38 38 SER C C 38 176.577 175.904 0.673 1
1 445 . 15 1 1 A 38 38 SER CA C 38 62.824 63.002 -0.178 1
1 446 . 15 1 1 A 38 38 SER N N 38 113.612 116.584 -2.972 1
1 447 . 15 1 1 A 39 39 HIS H H 39 7.983 7.686 0.297 1
1 448 . 15 1 1 A 39 39 HIS HA H 39 4.403 4.275 0.128 1
1 453 . 15 1 1 A 39 39 HIS C C 39 177.138 176.865 0.273 1
1 454 . 15 1 1 A 39 39 HIS CA C 39 59.316 60.034 -0.718 1
1 455 . 15 1 1 A 39 39 HIS CB C 39 29.226 30.196 -0.970 1
1 458 . 15 1 1 A 39 39 HIS N N 39 119.938 122.458 -2.520 1
1 459 . 15 1 1 A 40 40 LEU H H 40 8.432 8.195 0.237 1
1 460 . 15 1 1 A 40 40 LEU HA H 40 4.045 4.010 0.035 1
1 470 . 15 1 1 A 40 40 LEU C C 40 178.876 179.151 -0.275 1
1 471 . 15 1 1 A 40 40 LEU CA C 40 57.990 57.843 0.147 1
1 472 . 15 1 1 A 40 40 LEU CB C 40 42.609 41.865 0.744 1
1 476 . 15 1 1 A 40 40 LEU N N 40 120.053 118.830 1.223 1
1 477 . 15 1 1 A 41 41 PHE H H 41 8.937 8.776 0.161 1
1 478 . 15 1 1 A 41 41 PHE HA H 41 3.736 3.922 -0.186 1
1 486 . 15 1 1 A 41 41 PHE C C 41 178.022 178.282 -0.260 1
1 487 . 15 1 1 A 41 41 PHE CA C 41 62.523 61.755 0.768 1
1 488 . 15 1 1 A 41 41 PHE CB C 41 39.534 39.066 0.468 1
1 494 . 15 1 1 A 41 41 PHE N N 41 120.491 119.787 0.704 1
1 495 . 15 1 1 A 42 42 ARG H H 42 8.009 8.293 -0.284 1
1 496 . 15 1 1 A 42 42 ARG HA H 42 4.021 4.412 -0.391 1
1 502 . 15 1 1 A 42 42 ARG C C 42 179.850 178.585 1.265 1
1 503 . 15 1 1 A 42 42 ARG CA C 42 59.243 59.518 -0.275 1
1 504 . 15 1 1 A 42 42 ARG CB C 42 29.748 29.802 -0.054 1
1 507 . 15 1 1 A 42 42 ARG N N 42 117.688 117.726 -0.038 1
1 508 . 15 1 1 A 43 43 GLN H H 43 8.286 7.571 0.715 1
1 509 . 15 1 1 A 43 43 GLN HA H 43 4.006 3.988 0.018 1
1 516 . 15 1 1 A 43 43 GLN C C 43 177.917 178.277 -0.360 1
1 517 . 15 1 1 A 43 43 GLN CA C 43 58.715 58.900 -0.185 1
1 518 . 15 1 1 A 43 43 GLN CB C 43 29.345 28.603 0.742 1
1 521 . 15 1 1 A 43 43 GLN N N 43 118.179 119.425 -1.246 1
1 523 . 15 1 1 A 44 44 GLN H H 44 8.296 8.147 0.149 1
1 524 . 15 1 1 A 44 44 GLN HA H 44 4.208 4.097 0.111 1
1 531 . 15 1 1 A 44 44 GLN C C 44 177.314 177.334 -0.020 1
1 532 . 15 1 1 A 44 44 GLN CA C 44 57.913 58.111 -0.198 1
1 533 . 15 1 1 A 44 44 GLN CB C 44 29.027 28.665 0.362 1
1 536 . 15 1 1 A 44 44 GLN N N 44 114.928 117.983 -3.055 1
1 538 . 15 1 1 A 45 45 LEU H H 45 8.463 8.134 0.329 1
1 539 . 15 1 1 A 45 45 LEU HA H 45 4.567 4.304 0.263 1
1 549 . 15 1 1 A 45 45 LEU C C 45 178.381 177.339 1.042 1
1 550 . 15 1 1 A 45 45 LEU CA C 45 54.564 55.119 -0.555 1
1 551 . 15 1 1 A 45 45 LEU CB C 45 43.031 42.487 0.544 1
1 555 . 15 1 1 A 45 45 LEU N N 45 117.028 117.393 -0.365 1
1 556 . 15 1 1 A 46 46 GLY H H 46 7.852 9.021 -1.169 1
1 557 . 15 1 1 A 46 46 GLY HA2 H 46 4.005 3.875 0.130 1
1 558 . 15 1 1 A 46 46 GLY HA3 H 46 4.167 3.887 0.280 1
1 559 . 15 1 1 A 46 46 GLY C C 46 173.114 173.456 -0.342 1
1 560 . 15 1 1 A 46 46 GLY CA C 46 46.080 45.889 0.191 1
1 561 . 15 1 1 A 46 46 GLY N N 46 108.569 108.357 0.212 1
1 562 . 15 1 1 A 47 47 ILE H H 47 7.281 7.578 -0.297 1
1 563 . 15 1 1 A 47 47 ILE HA H 47 4.735 4.897 -0.162 1
1 573 . 15 1 1 A 47 47 ILE C C 47 172.231 174.812 -2.581 1
1 574 . 15 1 1 A 47 47 ILE CA C 47 59.240 58.818 0.422 1
1 575 . 15 1 1 A 47 47 ILE CB C 47 42.470 42.098 0.372 1
1 579 . 15 1 1 A 47 47 ILE N N 47 115.396 115.891 -0.495 1
1 580 . 15 1 1 A 48 48 SER H H 48 8.298 8.916 -0.618 1
1 581 . 15 1 1 A 48 48 SER HA H 48 4.725 4.739 -0.014 1
1 584 . 15 1 1 A 48 48 SER C C 48 174.600 176.293 -1.693 1
1 585 . 15 1 1 A 48 48 SER CA C 48 57.092 57.543 -0.451 1
1 586 . 15 1 1 A 48 48 SER CB C 48 65.286 64.652 0.634 1
1 587 . 15 1 1 A 48 48 SER N N 48 115.685 117.784 -2.099 1
1 588 . 15 1 1 A 49 49 VAL H H 49 8.296 8.789 -0.493 1
1 589 . 15 1 1 A 49 49 VAL HA H 49 3.081 3.785 -0.704 1
1 597 . 15 1 1 A 49 49 VAL C C 49 177.888 177.704 0.184 1
1 598 . 15 1 1 A 49 49 VAL CA C 49 65.881 67.322 -1.441 1
1 599 . 15 1 1 A 49 49 VAL CB C 49 31.149 31.405 -0.256 1
1 602 . 15 1 1 A 49 49 VAL N N 49 120.175 122.532 -2.357 1
1 603 . 15 1 1 A 50 50 LEU H H 50 8.138 8.342 -0.204 1
1 604 . 15 1 1 A 50 50 LEU HA H 50 4.011 4.114 -0.103 1
1 614 . 15 1 1 A 50 50 LEU C C 50 180.412 178.490 1.922 1
1 615 . 15 1 1 A 50 50 LEU CA C 50 57.962 58.144 -0.182 1
1 616 . 15 1 1 A 50 50 LEU CB C 50 41.224 41.558 -0.334 1
1 620 . 15 1 1 A 50 50 LEU N N 50 116.998 120.642 -3.644 1
1 621 . 15 1 1 A 51 51 SER H H 51 8.087 7.959 0.128 1
1 622 . 15 1 1 A 51 51 SER HA H 51 4.279 4.272 0.007 1
1 624 . 15 1 1 A 51 51 SER C C 51 176.081 176.831 -0.750 1
1 625 . 15 1 1 A 51 51 SER CA C 51 62.174 61.255 0.919 1
1 626 . 15 1 1 A 51 51 SER N N 51 117.207 114.645 2.562 1
1 627 . 15 1 1 A 52 52 TRP H H 52 8.913 8.478 0.435 1
1 628 . 15 1 1 A 52 52 TRP HA H 52 4.067 4.249 -0.182 1
1 637 . 15 1 1 A 52 52 TRP C C 52 178.579 178.037 0.542 1
1 638 . 15 1 1 A 52 52 TRP CA C 52 63.288 61.154 2.134 1
1 639 . 15 1 1 A 52 52 TRP CB C 52 29.159 29.913 -0.754 1
1 645 . 15 1 1 A 52 52 TRP N N 52 124.958 123.480 1.478 1
1 647 . 15 1 1 A 53 53 ARG H H 53 8.547 8.435 0.112 1
1 648 . 15 1 1 A 53 53 ARG HA H 53 3.578 3.526 0.052 1
1 654 . 15 1 1 A 53 53 ARG C C 53 177.290 178.751 -1.461 1
1 655 . 15 1 1 A 53 53 ARG CA C 53 60.443 59.505 0.938 1
1 656 . 15 1 1 A 53 53 ARG CB C 53 30.001 29.778 0.223 1
1 659 . 15 1 1 A 53 53 ARG N N 53 118.356 118.970 -0.614 1
1 660 . 15 1 1 A 54 54 GLU H H 54 8.002 7.547 0.455 1
1 661 . 15 1 1 A 54 54 GLU HA H 54 4.016 4.058 -0.042 1
1 666 . 15 1 1 A 54 54 GLU C C 54 178.460 178.574 -0.114 1
1 667 . 15 1 1 A 54 54 GLU CA C 54 59.982 59.450 0.532 1
1 668 . 15 1 1 A 54 54 GLU CB C 54 29.759 29.196 0.563 1
1 670 . 15 1 1 A 54 54 GLU N N 54 118.818 118.989 -0.171 1
1 671 . 15 1 1 A 55 55 ASP H H 55 8.111 8.436 -0.325 1
1 672 . 15 1 1 A 55 55 ASP HA H 55 4.289 4.360 -0.071 1
1 675 . 15 1 1 A 55 55 ASP C C 55 179.313 178.161 1.152 1
1 676 . 15 1 1 A 55 55 ASP CA C 55 57.131 56.669 0.462 1
1 677 . 15 1 1 A 55 55 ASP CB C 55 40.227 40.321 -0.094 1
1 678 . 15 1 1 A 55 55 ASP N N 55 119.156 120.491 -1.335 1
1 679 . 15 1 1 A 56 56 GLN H H 56 8.099 7.964 0.135 1
1 680 . 15 1 1 A 56 56 GLN HA H 56 3.781 3.689 0.092 1
1 687 . 15 1 1 A 56 56 GLN C C 56 178.700 178.303 0.397 1
1 688 . 15 1 1 A 56 56 GLN CA C 56 57.487 59.064 -1.577 1
1 689 . 15 1 1 A 56 56 GLN CB C 56 27.430 27.593 -0.163 1
1 692 . 15 1 1 A 56 56 GLN N N 56 119.807 119.601 0.206 1
1 694 . 15 1 1 A 57 57 ARG H H 57 8.240 7.328 0.912 1
1 695 . 15 1 1 A 57 57 ARG HA H 57 3.898 3.926 -0.028 1
1 702 . 15 1 1 A 57 57 ARG C C 57 178.185 178.613 -0.428 1
1 703 . 15 1 1 A 57 57 ARG CA C 57 60.671 58.963 1.708 1
1 704 . 15 1 1 A 57 57 ARG CB C 57 31.221 29.669 1.552 1
1 707 . 15 1 1 A 57 57 ARG N N 57 120.129 118.702 1.427 1
1 708 . 15 1 1 A 58 58 ILE H H 58 7.885 7.784 0.101 1
1 709 . 15 1 1 A 58 58 ILE HA H 58 3.978 3.986 -0.008 1
1 719 . 15 1 1 A 58 58 ILE C C 58 178.357 177.989 0.368 1
1 720 . 15 1 1 A 58 58 ILE CA C 58 61.684 65.712 -4.028 1
1 721 . 15 1 1 A 58 58 ILE CB C 58 34.538 37.991 -3.453 1
1 725 . 15 1 1 A 58 58 ILE N N 58 118.096 121.480 -3.384 1
1 726 . 15 1 1 A 59 59 SER H H 59 8.563 8.011 0.552 1
1 727 . 15 1 1 A 59 59 SER HA H 59 4.010 4.121 -0.111 1
1 728 . 15 1 1 A 59 59 SER C C 59 177.731 177.118 0.613 1
1 729 . 15 1 1 A 59 59 SER CA C 59 62.459 61.396 1.063 1
1 730 . 15 1 1 A 59 59 SER N N 59 117.208 115.547 1.661 1
1 731 . 15 1 1 A 60 60 GLN H H 60 8.471 7.901 0.570 1
1 732 . 15 1 1 A 60 60 GLN HA H 60 4.228 4.016 0.212 1
1 739 . 15 1 1 A 60 60 GLN C C 60 177.958 177.379 0.579 1
1 740 . 15 1 1 A 60 60 GLN CA C 60 58.233 58.497 -0.264 1
1 741 . 15 1 1 A 60 60 GLN CB C 60 27.288 28.728 -1.440 1
1 744 . 15 1 1 A 60 60 GLN N N 60 121.780 120.470 1.310 1
1 746 . 15 1 1 A 61 61 ALA H H 61 8.504 8.391 0.113 1
1 747 . 15 1 1 A 61 61 ALA HA H 61 3.947 3.968 -0.021 1
1 751 . 15 1 1 A 61 61 ALA C C 61 179.360 180.177 -0.817 1
1 752 . 15 1 1 A 61 61 ALA CA C 61 55.413 55.015 0.398 1
1 753 . 15 1 1 A 61 61 ALA CB C 61 18.124 18.352 -0.228 1
1 754 . 15 1 1 A 61 61 ALA N N 61 122.352 122.233 0.119 1
1 755 . 15 1 1 A 62 62 LYS H H 62 8.776 7.622 1.154 1
1 756 . 15 1 1 A 62 62 LYS HA H 62 3.722 4.087 -0.365 1
1 765 . 15 1 1 A 62 62 LYS C C 62 179.330 179.185 0.145 1
1 766 . 15 1 1 A 62 62 LYS CA C 62 60.632 59.430 1.202 1
1 767 . 15 1 1 A 62 62 LYS CB C 62 32.580 32.408 0.172 1
1 771 . 15 1 1 A 62 62 LYS N N 62 117.072 117.586 -0.514 1
1 772 . 15 1 1 A 63 63 LEU H H 63 7.670 7.538 0.132 1
1 773 . 15 1 1 A 63 63 LEU HA H 63 4.233 4.094 0.139 1
1 783 . 15 1 1 A 63 63 LEU C C 63 180.902 178.695 2.207 1
1 784 . 15 1 1 A 63 63 LEU CA C 63 58.446 58.086 0.360 1
1 785 . 15 1 1 A 63 63 LEU CB C 63 41.598 41.791 -0.193 1
1 789 . 15 1 1 A 63 63 LEU N N 63 121.196 121.445 -0.249 1
1 790 . 15 1 1 A 64 64 LEU H H 64 8.585 8.077 0.508 1
1 791 . 15 1 1 A 64 64 LEU HA H 64 4.088 4.035 0.053 1
1 801 . 15 1 1 A 64 64 LEU C C 64 180.869 179.247 1.622 1
1 802 . 15 1 1 A 64 64 LEU CA C 64 57.782 57.778 0.004 1
1 803 . 15 1 1 A 64 64 LEU CB C 64 42.760 41.526 1.234 1
1 807 . 15 1 1 A 64 64 LEU N N 64 121.842 118.545 3.297 1
1 808 . 15 1 1 A 65 65 LEU H H 65 9.100 8.107 0.993 1
1 809 . 15 1 1 A 65 65 LEU HA H 65 4.346 4.101 0.245 1
1 819 . 15 1 1 A 65 65 LEU C C 65 178.659 178.158 0.501 1
1 820 . 15 1 1 A 65 65 LEU CA C 65 57.408 57.346 0.062 1
1 821 . 15 1 1 A 65 65 LEU CB C 65 43.013 41.045 1.968 1
1 825 . 15 1 1 A 65 65 LEU N N 65 119.872 119.477 0.395 1
1 826 . 15 1 1 A 66 66 SER H H 66 8.303 8.038 0.265 1
1 827 . 15 1 1 A 66 66 SER HA H 66 4.211 4.429 -0.218 1
1 829 . 15 1 1 A 66 66 SER C C 66 176.580 176.896 -0.316 1
1 830 . 15 1 1 A 66 66 SER CA C 66 60.155 60.958 -0.803 1
1 831 . 15 1 1 A 66 66 SER CB C 66 65.198 63.333 1.865 1
1 832 . 15 1 1 A 66 66 SER N N 66 110.490 114.736 -4.246 1
1 833 . 15 1 1 A 67 67 THR H H 67 7.901 7.712 0.189 1
1 834 . 15 1 1 A 67 67 THR HA H 67 4.812 4.357 0.455 1
1 839 . 15 1 1 A 67 67 THR C C 67 174.240 174.353 -0.113 1
1 840 . 15 1 1 A 67 67 THR CA C 67 62.400 63.618 -1.218 1
1 841 . 15 1 1 A 67 67 THR CB C 67 71.512 69.608 1.904 1
1 843 . 15 1 1 A 67 67 THR N N 67 108.414 114.400 -5.986 1
1 844 . 15 1 1 A 68 68 THR H H 68 7.507 7.704 -0.197 1
1 845 . 15 1 1 A 68 68 THR HA H 68 5.096 4.811 0.285 1
1 850 . 15 1 1 A 68 68 THR C C 68 174.263 174.144 0.119 1
1 851 . 15 1 1 A 68 68 THR CA C 68 60.124 59.815 0.309 1
1 852 . 15 1 1 A 68 68 THR CB C 68 72.795 72.132 0.663 1
1 854 . 15 1 1 A 68 68 THR N N 68 111.673 110.631 1.042 1
1 855 . 15 1 1 A 69 69 ARG H H 69 8.767 8.386 0.381 1
1 856 . 15 1 1 A 69 69 ARG HA H 69 4.422 4.647 -0.225 1
1 863 . 15 1 1 A 69 69 ARG C C 69 176.568 176.621 -0.053 1
1 864 . 15 1 1 A 69 69 ARG CA C 69 53.692 55.117 -1.425 1
1 865 . 15 1 1 A 69 69 ARG CB C 69 28.814 30.555 -1.741 1
1 868 . 15 1 1 A 69 69 ARG N N 69 118.034 119.659 -1.625 1
1 869 . 15 1 1 A 70 70 MET H H 70 7.996 7.178 0.818 1
1 870 . 15 1 1 A 70 70 MET HA H 70 4.470 4.522 -0.052 1
1 878 . 15 1 1 A 70 70 MET CA C 70 55.386 55.280 0.106 1
1 879 . 15 1 1 A 70 70 MET CB C 70 34.080 32.406 1.674 1
1 882 . 15 1 1 A 70 70 MET N N 70 122.491 121.334 1.157 1
1 883 . 15 1 1 A 71 71 PRO HA H 71 4.574 4.522 0.052 1
1 890 . 15 1 1 A 71 71 PRO C C 71 177.204 177.155 0.049 1
1 891 . 15 1 1 A 71 71 PRO CA C 71 62.915 62.427 0.488 1
1 892 . 15 1 1 A 71 71 PRO CB C 71 32.380 32.953 -0.573 1
1 895 . 15 1 1 A 72 72 ILE H H 72 8.782 8.395 0.387 1
1 896 . 15 1 1 A 72 72 ILE HA H 72 3.407 3.810 -0.403 1
1 906 . 15 1 1 A 72 72 ILE C C 72 177.760 178.175 -0.415 1
1 907 . 15 1 1 A 72 72 ILE CA C 72 65.627 64.555 1.072 1
1 908 . 15 1 1 A 72 72 ILE CB C 72 36.771 37.661 -0.890 1
1 912 . 15 1 1 A 72 72 ILE N N 72 124.417 122.344 2.073 1
1 913 . 15 1 1 A 73 73 ALA H H 73 9.109 8.120 0.989 1
1 914 . 15 1 1 A 73 73 ALA HA H 73 3.974 4.051 -0.077 1
1 918 . 15 1 1 A 73 73 ALA C C 73 180.248 179.734 0.514 1
1 919 . 15 1 1 A 73 73 ALA CA C 73 55.232 55.270 -0.038 1
1 920 . 15 1 1 A 73 73 ALA CB C 73 18.338 18.234 0.104 1
1 921 . 15 1 1 A 73 73 ALA N N 73 119.077 123.824 -4.747 1
1 922 . 15 1 1 A 74 74 THR H H 74 7.112 8.066 -0.954 1
1 923 . 15 1 1 A 74 74 THR HA H 74 3.875 3.869 0.006 1
1 928 . 15 1 1 A 74 74 THR C C 74 175.761 176.420 -0.659 1
1 929 . 15 1 1 A 74 74 THR CA C 74 65.841 66.960 -1.119 1
1 930 . 15 1 1 A 74 74 THR CB C 74 68.248 68.493 -0.245 1
1 932 . 15 1 1 A 74 74 THR N N 74 114.866 115.009 -0.143 1
1 933 . 15 1 1 A 75 75 VAL H H 75 8.087 7.959 0.128 1
1 934 . 15 1 1 A 75 75 VAL HA H 75 3.305 3.535 -0.230 1
1 942 . 15 1 1 A 75 75 VAL C C 75 177.048 177.987 -0.939 1
1 943 . 15 1 1 A 75 75 VAL CA C 75 67.681 66.421 1.260 1
1 944 . 15 1 1 A 75 75 VAL CB C 75 30.831 31.152 -0.321 1
1 947 . 15 1 1 A 75 75 VAL N N 75 123.901 121.449 2.452 1
1 948 . 15 1 1 A 76 76 GLY H H 76 7.673 8.137 -0.464 1
1 949 . 15 1 1 A 76 76 GLY HA2 H 76 2.235 3.178 -0.943 1
1 950 . 15 1 1 A 76 76 GLY HA3 H 76 3.003 3.674 -0.671 1
1 951 . 15 1 1 A 76 76 GLY C C 76 176.562 176.072 0.490 1
1 952 . 15 1 1 A 76 76 GLY CA C 76 46.293 46.746 -0.453 1
1 953 . 15 1 1 A 76 76 GLY N N 76 102.438 107.795 -5.357 1
1 954 . 15 1 1 A 77 77 ARG H H 77 7.760 7.622 0.138 1
1 955 . 15 1 1 A 77 77 ARG HA H 77 3.982 3.973 0.009 1
1 962 . 15 1 1 A 77 77 ARG C C 77 180.332 179.223 1.109 1
1 963 . 15 1 1 A 77 77 ARG CA C 77 59.550 59.286 0.264 1
1 964 . 15 1 1 A 77 77 ARG CB C 77 30.085 29.701 0.384 1
1 967 . 15 1 1 A 77 77 ARG N N 77 122.228 122.156 0.072 1
1 968 . 15 1 1 A 78 78 ASN H H 78 8.230 7.744 0.486 1
1 969 . 15 1 1 A 78 78 ASN HA H 78 4.397 4.380 0.017 1
1 974 . 15 1 1 A 78 78 ASN C C 78 176.105 176.797 -0.692 1
1 975 . 15 1 1 A 78 78 ASN CA C 78 55.615 55.944 -0.329 1
1 976 . 15 1 1 A 78 78 ASN CB C 78 38.806 38.464 0.342 1
1 978 . 15 1 1 A 78 78 ASN N N 78 119.139 117.414 1.725 1
1 980 . 15 1 1 A 79 79 VAL H H 79 7.323 6.824 0.499 1
1 981 . 15 1 1 A 79 79 VAL HA H 79 4.438 4.095 0.343 1
1 989 . 15 1 1 A 79 79 VAL C C 79 174.220 175.249 -1.029 1
1 990 . 15 1 1 A 79 79 VAL CA C 79 59.911 60.685 -0.774 1
1 991 . 15 1 1 A 79 79 VAL CB C 79 31.400 30.958 0.442 1
1 994 . 15 1 1 A 79 79 VAL N N 79 108.664 111.156 -2.492 1
1 995 . 15 1 1 A 80 80 GLY H H 80 7.286 7.699 -0.413 1
1 996 . 15 1 1 A 80 80 GLY HA2 H 80 3.540 3.710 -0.170 1
1 997 . 15 1 1 A 80 80 GLY HA3 H 80 4.023 3.838 0.185 1
1 998 . 15 1 1 A 80 80 GLY C C 80 174.383 173.968 0.415 1
1 999 . 15 1 1 A 80 80 GLY CA C 80 45.739 46.008 -0.269 1
1 1000 . 15 1 1 A 80 80 GLY N N 80 104.635 109.869 -5.234 1
1 1001 . 15 1 1 A 81 81 PHE H H 81 8.535 7.822 0.713 1
1 1002 . 15 1 1 A 81 81 PHE HA H 81 4.845 4.886 -0.041 1
1 1010 . 15 1 1 A 81 81 PHE C C 81 174.570 175.200 -0.630 1
1 1011 . 15 1 1 A 81 81 PHE CA C 81 56.375 56.645 -0.270 1
1 1012 . 15 1 1 A 81 81 PHE CB C 81 39.941 41.179 -1.238 1
1 1018 . 15 1 1 A 81 81 PHE N N 81 119.772 117.875 1.897 1
1 1019 . 15 1 1 A 82 82 ASP H H 82 8.564 8.703 -0.139 1
1 1020 . 15 1 1 A 82 82 ASP HA H 82 4.491 4.651 -0.160 1
1 1023 . 15 1 1 A 82 82 ASP C C 82 175.170 176.394 -1.224 1
1 1024 . 15 1 1 A 82 82 ASP CA C 82 55.195 56.429 -1.234 1
1 1025 . 15 1 1 A 82 82 ASP CB C 82 41.010 41.955 -0.945 1
1 1026 . 15 1 1 A 82 82 ASP N N 82 123.028 123.806 -0.778 1
1 1027 . 15 1 1 A 83 83 ASP H H 83 7.789 7.742 0.047 1
1 1028 . 15 1 1 A 83 83 ASP HA H 83 4.947 4.825 0.122 1
1 1031 . 15 1 1 A 83 83 ASP C C 83 176.347 176.408 -0.061 1
1 1032 . 15 1 1 A 83 83 ASP CA C 83 52.690 54.203 -1.513 1
1 1033 . 15 1 1 A 83 83 ASP CB C 83 43.152 41.430 1.722 1
1 1034 . 15 1 1 A 83 83 ASP N N 83 118.576 119.036 -0.460 1
1 1035 . 15 1 1 A 84 84 GLN H H 84 9.104 8.881 0.223 1
1 1036 . 15 1 1 A 84 84 GLN HA H 84 4.333 4.000 0.333 1
1 1043 . 15 1 1 A 84 84 GLN C C 84 177.986 177.670 0.316 1
1 1044 . 15 1 1 A 84 84 GLN CA C 84 58.909 58.857 0.052 1
1 1045 . 15 1 1 A 84 84 GLN CB C 84 28.267 28.409 -0.142 1
1 1048 . 15 1 1 A 84 84 GLN N N 84 126.543 125.669 0.874 1
1 1050 . 15 1 1 A 85 85 LEU H H 85 8.419 8.246 0.173 1
1 1051 . 15 1 1 A 85 85 LEU HA H 85 4.210 4.103 0.107 1
1 1061 . 15 1 1 A 85 85 LEU C C 85 179.472 178.924 0.548 1
1 1062 . 15 1 1 A 85 85 LEU CA C 85 57.958 57.812 0.146 1
1 1063 . 15 1 1 A 85 85 LEU CB C 85 40.678 41.959 -1.281 1
1 1067 . 15 1 1 A 85 85 LEU N N 85 123.486 119.723 3.763 1
1 1068 . 15 1 1 A 86 86 TYR H H 86 8.042 8.480 -0.438 1
1 1069 . 15 1 1 A 86 86 TYR HA H 86 4.288 4.007 0.281 1
1 1076 . 15 1 1 A 86 86 TYR C C 86 177.195 177.121 0.074 1
1 1077 . 15 1 1 A 86 86 TYR CA C 86 60.367 61.645 -1.278 1
1 1078 . 15 1 1 A 86 86 TYR CB C 86 38.184 38.286 -0.102 1
1 1083 . 15 1 1 A 86 86 TYR N N 86 122.679 119.765 2.914 1
1 1084 . 15 1 1 A 87 87 PHE H H 87 8.219 7.963 0.256 1
1 1085 . 15 1 1 A 87 87 PHE HA H 87 3.261 3.536 -0.275 1
1 1093 . 15 1 1 A 87 87 PHE C C 87 175.875 177.713 -1.838 1
1 1094 . 15 1 1 A 87 87 PHE CA C 87 58.536 61.681 -3.145 1
1 1095 . 15 1 1 A 87 87 PHE CB C 87 38.124 39.318 -1.194 1
1 1101 . 15 1 1 A 87 87 PHE N N 87 116.536 119.085 -2.549 1
1 1102 . 15 1 1 A 88 88 SER H H 88 8.082 8.249 -0.167 1
1 1103 . 15 1 1 A 88 88 SER HA H 88 3.951 3.882 0.069 1
1 1105 . 15 1 1 A 88 88 SER C C 88 175.926 177.087 -1.161 1
1 1106 . 15 1 1 A 88 88 SER CA C 88 62.398 61.502 0.896 1
1 1107 . 15 1 1 A 88 88 SER N N 88 112.937 113.611 -0.674 1
1 1108 . 15 1 1 A 89 89 ARG H H 89 7.843 8.035 -0.192 1
1 1109 . 15 1 1 A 89 89 ARG HA H 89 3.975 4.059 -0.084 1
1 1116 . 15 1 1 A 89 89 ARG C C 89 179.414 179.213 0.201 1
1 1117 . 15 1 1 A 89 89 ARG CA C 89 59.452 59.218 0.234 1
1 1118 . 15 1 1 A 89 89 ARG CB C 89 30.242 30.159 0.083 1
1 1121 . 15 1 1 A 89 89 ARG N N 89 121.621 122.239 -0.618 1
1 1122 . 15 1 1 A 90 90 VAL H H 90 8.235 8.026 0.209 1
1 1123 . 15 1 1 A 90 90 VAL HA H 90 3.530 3.685 -0.155 1
1 1131 . 15 1 1 A 90 90 VAL C C 90 177.752 177.686 0.066 1
1 1132 . 15 1 1 A 90 90 VAL CA C 90 66.208 64.866 1.342 1
1 1133 . 15 1 1 A 90 90 VAL CB C 90 31.649 31.317 0.332 1
1 1136 . 15 1 1 A 90 90 VAL N N 90 122.095 119.426 2.669 1
1 1137 . 15 1 1 A 91 91 PHE H H 91 8.763 8.505 0.258 1
1 1138 . 15 1 1 A 91 91 PHE HA H 91 3.584 3.899 -0.315 1
1 1141 . 15 1 1 A 91 91 PHE C C 91 178.386 177.224 1.162 1
1 1142 . 15 1 1 A 91 91 PHE CA C 91 62.523 60.754 1.769 1
1 1143 . 15 1 1 A 91 91 PHE CB C 91 39.528 38.484 1.044 1
1 1144 . 15 1 1 A 91 91 PHE N N 91 121.769 121.858 -0.089 1
1 1145 . 15 1 1 A 92 92 LYS H H 92 8.237 8.428 -0.191 1
1 1146 . 15 1 1 A 92 92 LYS HA H 92 4.217 4.248 -0.031 1
1 1153 . 15 1 1 A 92 92 LYS C C 92 179.621 179.162 0.459 1
1 1154 . 15 1 1 A 92 92 LYS CA C 92 58.597 60.022 -1.425 1
1 1155 . 15 1 1 A 92 92 LYS CB C 92 32.290 32.489 -0.199 1
1 1159 . 15 1 1 A 92 92 LYS N N 92 121.441 118.259 3.182 1
1 1160 . 15 1 1 A 93 93 LYS H H 93 8.013 7.435 0.578 1
1 1161 . 15 1 1 A 93 93 LYS HA H 93 3.956 4.065 -0.109 1
1 1169 . 15 1 1 A 93 93 LYS C C 93 178.611 179.379 -0.768 1
1 1170 . 15 1 1 A 93 93 LYS CA C 93 59.356 58.992 0.364 1
1 1171 . 15 1 1 A 93 93 LYS CB C 93 31.785 31.815 -0.030 1
1 1175 . 15 1 1 A 93 93 LYS N N 93 122.286 118.860 3.426 1
1 1176 . 15 1 1 A 94 94 CYS H H 94 7.818 7.540 0.278 1
1 1177 . 15 1 1 A 94 94 CYS HA H 94 4.224 3.915 0.309 1
1 1180 . 15 1 1 A 94 94 CYS C C 94 176.440 175.780 0.660 1
1 1181 . 15 1 1 A 94 94 CYS CA C 94 62.517 62.401 0.116 1
1 1182 . 15 1 1 A 94 94 CYS CB C 94 28.104 26.184 1.920 1
1 1183 . 15 1 1 A 94 94 CYS N N 94 113.581 118.794 -5.213 1
1 1184 . 15 1 1 A 95 95 THR H H 95 8.038 7.021 1.017 1
1 1185 . 15 1 1 A 95 95 THR HA H 95 4.397 4.409 -0.012 1
1 1190 . 15 1 1 A 95 95 THR C C 95 176.237 175.780 0.457 1
1 1191 . 15 1 1 A 95 95 THR CA C 95 62.507 61.732 0.775 1
1 1192 . 15 1 1 A 95 95 THR CB C 95 71.481 70.521 0.960 1
1 1194 . 15 1 1 A 95 95 THR N N 95 106.903 108.402 -1.499 1
1 1195 . 15 1 1 A 96 96 GLY H H 96 8.526 8.869 -0.343 1
1 1196 . 15 1 1 A 96 96 GLY HA2 H 96 3.724 3.869 -0.145 1
1 1197 . 15 1 1 A 96 96 GLY HA3 H 96 4.374 3.882 0.492 1
1 1198 . 15 1 1 A 96 96 GLY C C 96 172.550 173.368 -0.818 1
1 1199 . 15 1 1 A 96 96 GLY CA C 96 45.264 45.262 0.002 1
1 1200 . 15 1 1 A 96 96 GLY N N 96 112.762 111.475 1.287 1
1 1201 . 15 1 1 A 97 97 ALA H H 97 8.560 7.147 1.413 1
1 1202 . 15 1 1 A 97 97 ALA HA H 97 4.841 4.827 0.014 1
1 1206 . 15 1 1 A 97 97 ALA C C 97 175.280 176.269 -0.989 1
1 1207 . 15 1 1 A 97 97 ALA CA C 97 50.176 51.145 -0.969 1
1 1208 . 15 1 1 A 97 97 ALA CB C 97 22.551 22.898 -0.347 1
1 1209 . 15 1 1 A 97 97 ALA N N 97 125.656 120.932 4.724 1
1 1210 . 15 1 1 A 98 98 SER H H 98 8.817 8.653 0.164 1
1 1211 . 15 1 1 A 98 98 SER HA H 98 4.656 4.757 -0.101 1
1 1212 . 15 1 1 A 98 98 SER CA C 98 56.612 56.866 -0.254 1
1 1213 . 15 1 1 A 98 98 SER N N 98 114.919 115.208 -0.289 1
1 1214 . 15 1 1 A 99 99 PRO HA H 99 3.500 4.497 -0.997 1
1 1220 . 15 1 1 A 99 99 PRO C C 99 177.585 177.949 -0.364 1
1 1221 . 15 1 1 A 99 99 PRO CA C 99 66.202 64.589 1.613 1
1 1222 . 15 1 1 A 99 99 PRO CB C 99 32.030 31.868 0.162 1
1 1225 . 15 1 1 A 100 100 SER H H 100 8.254 8.219 0.035 1
1 1226 . 15 1 1 A 100 100 SER HA H 100 4.029 4.288 -0.259 1
1 1227 . 15 1 1 A 100 100 SER C C 100 177.441 177.208 0.233 1
1 1228 . 15 1 1 A 100 100 SER CA C 100 61.891 60.998 0.893 1
1 1229 . 15 1 1 A 100 100 SER N N 100 111.230 112.210 -0.980 1
1 1230 . 15 1 1 A 101 101 GLU H H 101 7.848 7.911 -0.063 1
1 1231 . 15 1 1 A 101 101 GLU HA H 101 4.021 4.073 -0.052 1
1 1236 . 15 1 1 A 101 101 GLU C C 101 179.288 178.751 0.537 1
1 1237 . 15 1 1 A 101 101 GLU CA C 101 58.822 59.370 -0.548 1
1 1238 . 15 1 1 A 101 101 GLU CB C 101 29.846 29.577 0.269 1
1 1240 . 15 1 1 A 101 101 GLU N N 101 125.150 121.622 3.528 1
1 1241 . 15 1 1 A 102 102 PHE H H 102 8.923 8.090 0.833 1
1 1242 . 15 1 1 A 102 102 PHE HA H 102 4.155 4.159 -0.004 1
1 1245 . 15 1 1 A 102 102 PHE C C 102 178.343 177.803 0.540 1
1 1246 . 15 1 1 A 102 102 PHE CA C 102 61.315 61.685 -0.370 1
1 1247 . 15 1 1 A 102 102 PHE CB C 102 40.083 39.468 0.615 1
1 1248 . 15 1 1 A 102 102 PHE N N 102 121.281 120.787 0.494 1
1 1249 . 15 1 1 A 103 103 ARG H H 103 8.210 8.428 -0.218 1
1 1250 . 15 1 1 A 103 103 ARG HA H 103 3.830 4.094 -0.264 1
1 1257 . 15 1 1 A 103 103 ARG C C 103 177.602 178.280 -0.678 1
1 1258 . 15 1 1 A 103 103 ARG CA C 103 59.235 59.593 -0.358 1
1 1261 . 15 1 1 A 103 103 ARG N N 103 119.223 118.735 0.488 1
1 1262 . 15 1 1 A 104 104 ALA H H 104 7.905 7.194 0.711 1
1 1263 . 15 1 1 A 104 104 ALA HA H 104 4.186 4.234 -0.048 1
1 1267 . 15 1 1 A 104 104 ALA C C 104 179.126 178.091 1.035 1
1 1268 . 15 1 1 A 104 104 ALA CA C 104 54.188 52.751 1.437 1
1 1269 . 15 1 1 A 104 104 ALA CB C 104 18.254 19.604 -1.350 1
1 1270 . 15 1 1 A 104 104 ALA N N 104 120.546 120.227 0.319 1
1 1271 . 15 1 1 A 105 105 GLY H H 105 7.676 7.912 -0.236 1
1 1272 . 15 1 1 A 105 105 GLY HA2 H 105 3.849 3.775 0.074 1
1 1273 . 15 1 1 A 105 105 GLY HA3 H 105 4.052 3.867 0.185 1
1 1274 . 15 1 1 A 105 105 GLY C C 105 174.515 173.836 0.679 1
1 1275 . 15 1 1 A 105 105 GLY CA C 105 45.317 45.202 0.115 1
1 1276 . 15 1 1 A 105 105 GLY N N 105 104.677 107.091 -2.414 1
1 1277 . 15 1 1 A 106 106 CYS H H 106 7.599 7.758 -0.159 1
1 1278 . 15 1 1 A 106 106 CYS HA H 106 4.447 4.405 0.042 1
1 1281 . 15 1 1 A 106 106 CYS C C 106 173.823 173.902 -0.079 1
1 1282 . 15 1 1 A 106 106 CYS CA C 106 59.123 58.597 0.526 1
1 1283 . 15 1 1 A 106 106 CYS CB C 106 28.004 28.605 -0.601 1
1 1284 . 15 1 1 A 106 106 CYS N N 106 118.321 119.634 -1.313 1
1 14 . 16 1 1 A 2 2 ASP H H 2 8.989 8.085 0.904 1
1 15 . 16 1 1 A 2 2 ASP HA H 2 4.662 4.630 0.032 1
1 18 . 16 1 1 A 2 2 ASP C C 2 177.024 177.045 -0.021 1
1 19 . 16 1 1 A 2 2 ASP CA C 2 54.092 54.430 -0.338 1
1 20 . 16 1 1 A 2 2 ASP CB C 2 42.743 43.000 -0.257 1
1 21 . 16 1 1 A 2 2 ASP N N 2 126.287 123.202 3.085 1
1 22 . 16 1 1 A 3 3 ASN H H 3 9.165 9.123 0.042 1
1 23 . 16 1 1 A 3 3 ASN HA H 3 4.446 4.269 0.177 1
1 28 . 16 1 1 A 3 3 ASN C C 3 177.306 177.092 0.214 1
1 29 . 16 1 1 A 3 3 ASN CA C 3 56.355 57.321 -0.966 1
1 30 . 16 1 1 A 3 3 ASN CB C 3 38.382 38.629 -0.247 1
1 32 . 16 1 1 A 3 3 ASN N N 3 124.055 125.653 -1.598 1
1 34 . 16 1 1 A 4 4 ARG H H 4 9.092 7.792 1.300 1
1 35 . 16 1 1 A 4 4 ARG HA H 4 4.183 3.976 0.207 1
1 42 . 16 1 1 A 4 4 ARG C C 4 178.824 178.777 0.047 1
1 43 . 16 1 1 A 4 4 ARG CA C 4 59.401 59.328 0.073 1
1 44 . 16 1 1 A 4 4 ARG CB C 4 29.437 29.784 -0.347 1
1 47 . 16 1 1 A 4 4 ARG N N 4 119.970 118.725 1.245 1
1 48 . 16 1 1 A 5 5 VAL H H 5 7.588 7.894 -0.306 1
1 49 . 16 1 1 A 5 5 VAL HA H 5 3.458 3.568 -0.110 1
1 57 . 16 1 1 A 5 5 VAL C C 5 177.573 177.960 -0.387 1
1 58 . 16 1 1 A 5 5 VAL CA C 5 66.543 66.643 -0.100 1
1 59 . 16 1 1 A 5 5 VAL CB C 5 31.294 31.298 -0.004 1
1 62 . 16 1 1 A 5 5 VAL N N 5 119.312 119.532 -0.220 1
1 63 . 16 1 1 A 6 6 ARG H H 6 7.920 8.413 -0.493 1
1 64 . 16 1 1 A 6 6 ARG HA H 6 3.860 3.841 0.019 1
1 71 . 16 1 1 A 6 6 ARG C C 6 179.380 178.858 0.522 1
1 72 . 16 1 1 A 6 6 ARG CA C 6 60.197 59.230 0.967 1
1 73 . 16 1 1 A 6 6 ARG CB C 6 29.818 29.926 -0.108 1
1 76 . 16 1 1 A 6 6 ARG N N 6 120.863 119.951 0.912 1
1 77 . 16 1 1 A 7 7 GLU H H 7 8.262 7.844 0.418 1
1 78 . 16 1 1 A 7 7 GLU HA H 7 4.241 4.131 0.110 1
1 83 . 16 1 1 A 7 7 GLU C C 7 179.131 179.174 -0.043 1
1 84 . 16 1 1 A 7 7 GLU CA C 7 58.770 58.935 -0.165 1
1 85 . 16 1 1 A 7 7 GLU CB C 7 28.883 28.912 -0.029 1
1 87 . 16 1 1 A 7 7 GLU N N 7 119.166 119.084 0.082 1
1 88 . 16 1 1 A 8 8 ALA H H 8 8.421 8.026 0.395 1
1 89 . 16 1 1 A 8 8 ALA HA H 8 4.046 4.444 -0.398 1
1 93 . 16 1 1 A 8 8 ALA C C 8 179.202 179.874 -0.672 1
1 94 . 16 1 1 A 8 8 ALA CA C 8 55.610 55.239 0.371 1
1 95 . 16 1 1 A 8 8 ALA CB C 8 18.512 18.457 0.055 1
1 96 . 16 1 1 A 8 8 ALA N N 8 123.947 122.408 1.539 1
1 97 . 16 1 1 A 9 9 CYS H H 9 8.490 8.784 -0.294 1
1 98 . 16 1 1 A 9 9 CYS HA H 9 3.767 4.430 -0.663 1
1 101 . 16 1 1 A 9 9 CYS C C 9 176.858 177.189 -0.331 1
1 102 . 16 1 1 A 9 9 CYS CA C 9 64.480 61.351 3.129 1
1 103 . 16 1 1 A 9 9 CYS CB C 9 26.690 27.137 -0.447 1
1 104 . 16 1 1 A 9 9 CYS N N 9 116.232 115.869 0.363 1
1 105 . 16 1 1 A 10 10 GLN H H 10 8.088 8.250 -0.162 1
1 106 . 16 1 1 A 10 10 GLN HA H 10 4.022 4.250 -0.228 1
1 113 . 16 1 1 A 10 10 GLN C C 10 177.140 178.424 -1.284 1
1 114 . 16 1 1 A 10 10 GLN CA C 10 58.804 58.803 0.001 1
1 115 . 16 1 1 A 10 10 GLN CB C 10 28.299 28.309 -0.010 1
1 118 . 16 1 1 A 10 10 GLN N N 10 120.817 121.958 -1.141 1
1 120 . 16 1 1 A 11 11 TYR H H 11 8.367 8.527 -0.160 1
1 121 . 16 1 1 A 11 11 TYR HA H 11 4.308 4.148 0.160 1
1 128 . 16 1 1 A 11 11 TYR C C 11 178.986 177.035 1.951 1
1 129 . 16 1 1 A 11 11 TYR CA C 11 61.850 60.920 0.930 1
1 130 . 16 1 1 A 11 11 TYR CB C 11 38.653 38.822 -0.169 1
1 135 . 16 1 1 A 11 11 TYR N N 11 120.419 121.341 -0.922 1
1 136 . 16 1 1 A 12 12 ILE H H 12 8.886 8.220 0.666 1
1 137 . 16 1 1 A 12 12 ILE HA H 12 3.700 3.251 0.449 1
1 147 . 16 1 1 A 12 12 ILE C C 12 179.352 177.879 1.473 1
1 148 . 16 1 1 A 12 12 ILE CA C 12 65.621 64.886 0.735 1
1 149 . 16 1 1 A 12 12 ILE CB C 12 38.203 37.617 0.586 1
1 153 . 16 1 1 A 12 12 ILE N N 12 119.720 120.833 -1.113 1
1 154 . 16 1 1 A 13 13 SER H H 13 8.740 8.032 0.708 1
1 155 . 16 1 1 A 13 13 SER HA H 13 4.753 4.112 0.641 1
1 158 . 16 1 1 A 13 13 SER C C 13 176.355 176.161 0.194 1
1 159 . 16 1 1 A 13 13 SER CA C 13 62.551 61.377 1.174 1
1 160 . 16 1 1 A 13 13 SER CB C 13 62.468 62.435 0.033 1
1 161 . 16 1 1 A 13 13 SER N N 13 116.217 115.768 0.449 1
1 162 . 16 1 1 A 14 14 ASP H H 14 8.426 7.850 0.576 1
1 163 . 16 1 1 A 14 14 ASP HA H 14 4.438 4.387 0.051 1
1 166 . 16 1 1 A 14 14 ASP C C 14 176.838 177.452 -0.614 1
1 167 . 16 1 1 A 14 14 ASP CA C 14 55.988 56.872 -0.884 1
1 168 . 16 1 1 A 14 14 ASP CB C 14 40.500 41.099 -0.599 1
1 169 . 16 1 1 A 14 14 ASP N N 14 121.201 121.829 -0.628 1
1 170 . 16 1 1 A 15 15 HIS H H 15 7.530 7.597 -0.067 1
1 171 . 16 1 1 A 15 15 HIS HA H 15 4.661 4.755 -0.094 1
1 176 . 16 1 1 A 15 15 HIS C C 15 175.451 175.635 -0.184 1
1 177 . 16 1 1 A 15 15 HIS CA C 15 55.320 54.971 0.349 1
1 178 . 16 1 1 A 15 15 HIS CB C 15 28.275 29.636 -1.361 1
1 181 . 16 1 1 A 15 15 HIS N N 15 116.777 114.807 1.970 1
1 182 . 16 1 1 A 16 16 LEU H H 16 7.271 7.707 -0.436 1
1 183 . 16 1 1 A 16 16 LEU HA H 16 3.812 3.857 -0.045 1
1 193 . 16 1 1 A 16 16 LEU C C 16 176.627 178.284 -1.657 1
1 194 . 16 1 1 A 16 16 LEU CA C 16 58.076 57.726 0.350 1
1 195 . 16 1 1 A 16 16 LEU CB C 16 42.531 41.561 0.970 1
1 199 . 16 1 1 A 16 16 LEU N N 16 122.531 122.468 0.063 1
1 200 . 16 1 1 A 17 17 ALA H H 17 8.243 7.275 0.968 1
1 201 . 16 1 1 A 17 17 ALA HA H 17 3.937 4.342 -0.405 1
1 205 . 16 1 1 A 17 17 ALA C C 17 177.131 177.043 0.088 1
1 206 . 16 1 1 A 17 17 ALA CA C 17 51.802 51.869 -0.067 1
1 207 . 16 1 1 A 17 17 ALA CB C 17 18.473 20.148 -1.675 1
1 208 . 16 1 1 A 17 17 ALA N N 17 116.354 119.573 -3.219 1
1 209 . 16 1 1 A 18 18 ASP H H 18 7.488 7.428 0.060 1
1 210 . 16 1 1 A 18 18 ASP HA H 18 4.455 4.509 -0.054 1
1 213 . 16 1 1 A 18 18 ASP C C 18 177.370 176.626 0.744 1
1 214 . 16 1 1 A 18 18 ASP CA C 18 54.571 54.304 0.267 1
1 215 . 16 1 1 A 18 18 ASP CB C 18 40.521 42.482 -1.961 1
1 216 . 16 1 1 A 18 18 ASP N N 18 119.230 118.789 0.441 1
1 217 . 16 1 1 A 19 19 SER H H 19 8.793 8.766 0.027 1
1 218 . 16 1 1 A 19 19 SER HA H 19 4.424 4.410 0.014 1
1 221 . 16 1 1 A 19 19 SER C C 19 174.779 174.727 0.052 1
1 222 . 16 1 1 A 19 19 SER CA C 19 59.706 59.511 0.195 1
1 223 . 16 1 1 A 19 19 SER CB C 19 63.351 63.979 -0.628 1
1 224 . 16 1 1 A 19 19 SER N N 19 119.892 118.173 1.719 1
1 225 . 16 1 1 A 20 20 ASN H H 20 8.520 7.949 0.571 1
1 226 . 16 1 1 A 20 20 ASN HA H 20 4.869 4.928 -0.059 1
1 231 . 16 1 1 A 20 20 ASN C C 20 173.838 174.551 -0.713 1
1 232 . 16 1 1 A 20 20 ASN CA C 20 52.586 53.149 -0.563 1
1 233 . 16 1 1 A 20 20 ASN CB C 20 38.799 38.567 0.232 1
1 235 . 16 1 1 A 20 20 ASN N N 20 119.769 119.213 0.556 1
1 237 . 16 1 1 A 21 21 PHE H H 21 8.082 9.081 -0.999 1
1 238 . 16 1 1 A 21 21 PHE HA H 21 4.397 5.208 -0.811 1
1 246 . 16 1 1 A 21 21 PHE C C 21 173.520 173.533 -0.013 1
1 247 . 16 1 1 A 21 21 PHE CA C 21 58.672 56.746 1.926 1
1 248 . 16 1 1 A 21 21 PHE CB C 21 40.704 42.047 -1.343 1
1 254 . 16 1 1 A 21 21 PHE N N 21 121.875 126.292 -4.417 1
1 255 . 16 1 1 A 22 22 ASP H H 22 7.570 8.556 -0.986 1
1 256 . 16 1 1 A 22 22 ASP HA H 22 4.563 4.775 -0.212 1
1 259 . 16 1 1 A 22 22 ASP C C 22 175.674 175.801 -0.127 1
1 260 . 16 1 1 A 22 22 ASP CA C 22 52.049 52.224 -0.175 1
1 261 . 16 1 1 A 22 22 ASP CB C 22 43.023 42.765 0.258 1
1 262 . 16 1 1 A 22 22 ASP N N 22 126.780 127.839 -1.059 1
1 263 . 16 1 1 A 23 23 ILE H H 23 8.720 8.419 0.301 1
1 264 . 16 1 1 A 23 23 ILE HA H 23 3.555 3.639 -0.084 1
1 274 . 16 1 1 A 23 23 ILE C C 23 176.441 177.456 -1.015 1
1 275 . 16 1 1 A 23 23 ILE CA C 23 63.650 63.346 0.304 1
1 276 . 16 1 1 A 23 23 ILE CB C 23 37.741 37.695 0.046 1
1 280 . 16 1 1 A 23 23 ILE N N 23 124.815 127.146 -2.331 1
1 281 . 16 1 1 A 24 24 ALA H H 24 8.543 8.113 0.430 1
1 282 . 16 1 1 A 24 24 ALA HA H 24 3.917 4.072 -0.155 1
1 286 . 16 1 1 A 24 24 ALA C C 24 180.227 179.803 0.424 1
1 287 . 16 1 1 A 24 24 ALA CA C 24 55.413 55.163 0.250 1
1 288 . 16 1 1 A 24 24 ALA CB C 24 17.760 17.990 -0.230 1
1 289 . 16 1 1 A 24 24 ALA N N 24 123.943 124.091 -0.148 1
1 290 . 16 1 1 A 25 25 SER H H 25 7.844 8.061 -0.217 1
1 291 . 16 1 1 A 25 25 SER HA H 25 4.246 4.090 0.156 1
1 293 . 16 1 1 A 25 25 SER C C 25 176.667 176.546 0.121 1
1 294 . 16 1 1 A 25 25 SER CA C 25 61.238 61.606 -0.368 1
1 295 . 16 1 1 A 25 25 SER CB C 25 62.402 63.028 -0.626 1
1 296 . 16 1 1 A 25 25 SER N N 25 114.143 113.471 0.672 1
1 297 . 16 1 1 A 26 26 VAL H H 26 7.086 7.606 -0.520 1
1 298 . 16 1 1 A 26 26 VAL HA H 26 3.198 3.843 -0.645 1
1 306 . 16 1 1 A 26 26 VAL C C 26 176.670 178.106 -1.436 1
1 307 . 16 1 1 A 26 26 VAL CA C 26 64.809 66.819 -2.010 1
1 308 . 16 1 1 A 26 26 VAL CB C 26 31.274 31.570 -0.296 1
1 311 . 16 1 1 A 26 26 VAL N N 26 122.369 122.126 0.243 1
1 312 . 16 1 1 A 27 27 ALA H H 27 8.043 7.867 0.176 1
1 313 . 16 1 1 A 27 27 ALA HA H 27 3.775 4.022 -0.247 1
1 317 . 16 1 1 A 27 27 ALA C C 27 178.948 179.407 -0.459 1
1 318 . 16 1 1 A 27 27 ALA CA C 27 55.507 55.734 -0.227 1
1 319 . 16 1 1 A 27 27 ALA CB C 27 17.412 18.174 -0.762 1
1 320 . 16 1 1 A 27 27 ALA N N 27 122.045 122.240 -0.195 1
1 321 . 16 1 1 A 28 28 GLN H H 28 8.089 8.336 -0.247 1
1 322 . 16 1 1 A 28 28 GLN HA H 28 4.053 4.056 -0.003 1
1 329 . 16 1 1 A 28 28 GLN C C 28 179.289 178.182 1.107 1
1 330 . 16 1 1 A 28 28 GLN CA C 28 58.625 58.326 0.299 1
1 331 . 16 1 1 A 28 28 GLN CB C 28 28.155 28.297 -0.142 1
1 334 . 16 1 1 A 28 28 GLN N N 28 116.168 116.328 -0.160 1
1 336 . 16 1 1 A 29 29 HIS H H 29 7.454 8.040 -0.586 1
1 337 . 16 1 1 A 29 29 HIS HA H 29 4.209 4.087 0.122 1
1 342 . 16 1 1 A 29 29 HIS C C 29 175.895 176.807 -0.912 1
1 343 . 16 1 1 A 29 29 HIS CA C 29 59.132 59.300 -0.168 1
1 344 . 16 1 1 A 29 29 HIS CB C 29 28.947 29.844 -0.897 1
1 347 . 16 1 1 A 29 29 HIS N N 29 118.117 120.120 -2.003 1
1 348 . 16 1 1 A 30 30 VAL H H 30 7.309 7.047 0.262 1
1 349 . 16 1 1 A 30 30 VAL HA H 30 4.441 4.132 0.309 1
1 357 . 16 1 1 A 30 30 VAL C C 30 173.598 174.335 -0.737 1
1 358 . 16 1 1 A 30 30 VAL CA C 30 59.948 60.408 -0.460 1
1 359 . 16 1 1 A 30 30 VAL CB C 30 31.067 30.732 0.335 1
1 362 . 16 1 1 A 30 30 VAL N N 30 106.791 109.677 -2.886 1
1 363 . 16 1 1 A 31 31 CYS H H 31 7.837 7.975 -0.138 1
1 364 . 16 1 1 A 31 31 CYS HA H 31 3.929 4.108 -0.179 1
1 367 . 16 1 1 A 31 31 CYS C C 31 173.679 173.572 0.107 1
1 368 . 16 1 1 A 31 31 CYS CA C 31 59.814 60.420 -0.606 1
1 369 . 16 1 1 A 31 31 CYS CB C 31 24.898 26.084 -1.186 1
1 370 . 16 1 1 A 31 31 CYS N N 31 116.363 117.078 -0.715 1
1 371 . 16 1 1 A 32 32 LEU H H 32 8.061 7.651 0.410 1
1 372 . 16 1 1 A 32 32 LEU HA H 32 4.871 4.811 0.060 1
1 382 . 16 1 1 A 32 32 LEU C C 32 176.243 175.692 0.551 1
1 383 . 16 1 1 A 32 32 LEU CA C 32 52.555 53.228 -0.673 1
1 384 . 16 1 1 A 32 32 LEU CB C 32 48.238 46.510 1.728 1
1 388 . 16 1 1 A 32 32 LEU N N 32 118.159 120.806 -2.647 1
1 389 . 16 1 1 A 33 33 SER H H 33 8.221 8.699 -0.478 1
1 390 . 16 1 1 A 33 33 SER N N 33 116.259 117.196 -0.937 1
1 391 . 16 1 1 A 34 34 PRO HA H 34 3.951 4.361 -0.410 1
1 398 . 16 1 1 A 34 34 PRO C C 34 178.473 178.386 0.087 1
1 399 . 16 1 1 A 34 34 PRO CA C 34 66.404 64.962 1.442 1
1 400 . 16 1 1 A 34 34 PRO CB C 34 31.712 32.011 -0.299 1
1 403 . 16 1 1 A 35 35 SER H H 35 8.343 8.197 0.146 1
1 404 . 16 1 1 A 35 35 SER HA H 35 4.192 4.238 -0.046 1
1 406 . 16 1 1 A 35 35 SER C C 35 177.361 177.274 0.087 1
1 407 . 16 1 1 A 35 35 SER CA C 35 61.358 61.333 0.025 1
1 408 . 16 1 1 A 35 35 SER CB C 35 62.140 62.689 -0.549 1
1 409 . 16 1 1 A 35 35 SER N N 35 111.653 112.898 -1.245 1
1 410 . 16 1 1 A 36 36 ARG H H 36 7.868 7.977 -0.109 1
1 411 . 16 1 1 A 36 36 ARG HA H 36 4.243 4.081 0.162 1
1 418 . 16 1 1 A 36 36 ARG C C 36 178.850 179.221 -0.371 1
1 419 . 16 1 1 A 36 36 ARG CA C 36 58.714 59.056 -0.342 1
1 420 . 16 1 1 A 36 36 ARG CB C 36 29.804 30.030 -0.226 1
1 423 . 16 1 1 A 36 36 ARG N N 36 124.303 121.532 2.771 1
1 424 . 16 1 1 A 37 37 LEU H H 37 8.593 8.116 0.477 1
1 425 . 16 1 1 A 37 37 LEU HA H 37 4.052 4.137 -0.085 1
1 435 . 16 1 1 A 37 37 LEU C C 37 177.894 178.458 -0.564 1
1 436 . 16 1 1 A 37 37 LEU CA C 37 58.289 58.513 -0.224 1
1 437 . 16 1 1 A 37 37 LEU CB C 37 40.775 42.008 -1.233 1
1 441 . 16 1 1 A 37 37 LEU N N 37 119.319 122.033 -2.714 1
1 442 . 16 1 1 A 38 38 SER H H 38 8.478 8.524 -0.046 1
1 443 . 16 1 1 A 38 38 SER HA H 38 4.066 4.241 -0.175 1
1 444 . 16 1 1 A 38 38 SER C C 38 176.577 176.950 -0.373 1
1 445 . 16 1 1 A 38 38 SER CA C 38 62.824 60.899 1.925 1
1 446 . 16 1 1 A 38 38 SER N N 38 113.612 115.050 -1.438 1
1 447 . 16 1 1 A 39 39 HIS H H 39 7.983 7.608 0.375 1
1 448 . 16 1 1 A 39 39 HIS HA H 39 4.403 4.275 0.128 1
1 453 . 16 1 1 A 39 39 HIS C C 39 177.138 176.771 0.367 1
1 454 . 16 1 1 A 39 39 HIS CA C 39 59.316 60.055 -0.739 1
1 455 . 16 1 1 A 39 39 HIS CB C 39 29.226 30.165 -0.939 1
1 458 . 16 1 1 A 39 39 HIS N N 39 119.938 121.467 -1.529 1
1 459 . 16 1 1 A 40 40 LEU H H 40 8.432 8.205 0.227 1
1 460 . 16 1 1 A 40 40 LEU HA H 40 4.045 3.987 0.058 1
1 470 . 16 1 1 A 40 40 LEU C C 40 178.876 179.131 -0.255 1
1 471 . 16 1 1 A 40 40 LEU CA C 40 57.990 57.796 0.194 1
1 472 . 16 1 1 A 40 40 LEU CB C 40 42.609 41.702 0.907 1
1 476 . 16 1 1 A 40 40 LEU N N 40 120.053 118.635 1.418 1
1 477 . 16 1 1 A 41 41 PHE H H 41 8.937 8.800 0.137 1
1 478 . 16 1 1 A 41 41 PHE HA H 41 3.736 3.932 -0.196 1
1 486 . 16 1 1 A 41 41 PHE C C 41 178.022 177.530 0.492 1
1 487 . 16 1 1 A 41 41 PHE CA C 41 62.523 61.631 0.892 1
1 488 . 16 1 1 A 41 41 PHE CB C 41 39.534 39.036 0.498 1
1 494 . 16 1 1 A 41 41 PHE N N 41 120.491 119.852 0.639 1
1 495 . 16 1 1 A 42 42 ARG H H 42 8.009 8.153 -0.144 1
1 496 . 16 1 1 A 42 42 ARG HA H 42 4.021 4.388 -0.367 1
1 502 . 16 1 1 A 42 42 ARG C C 42 179.850 178.314 1.536 1
1 503 . 16 1 1 A 42 42 ARG CA C 42 59.243 58.979 0.264 1
1 504 . 16 1 1 A 42 42 ARG CB C 42 29.748 29.599 0.149 1
1 507 . 16 1 1 A 42 42 ARG N N 42 117.688 118.655 -0.967 1
1 508 . 16 1 1 A 43 43 GLN H H 43 8.286 7.471 0.815 1
1 509 . 16 1 1 A 43 43 GLN HA H 43 4.006 3.976 0.030 1
1 516 . 16 1 1 A 43 43 GLN C C 43 177.917 178.319 -0.402 1
1 517 . 16 1 1 A 43 43 GLN CA C 43 58.715 58.889 -0.174 1
1 518 . 16 1 1 A 43 43 GLN CB C 43 29.345 28.519 0.826 1
1 521 . 16 1 1 A 43 43 GLN N N 43 118.179 118.683 -0.504 1
1 523 . 16 1 1 A 44 44 GLN H H 44 8.296 8.196 0.100 1
1 524 . 16 1 1 A 44 44 GLN HA H 44 4.208 4.112 0.096 1
1 531 . 16 1 1 A 44 44 GLN C C 44 177.314 177.436 -0.122 1
1 532 . 16 1 1 A 44 44 GLN CA C 44 57.913 58.083 -0.170 1
1 533 . 16 1 1 A 44 44 GLN CB C 44 29.027 28.730 0.297 1
1 536 . 16 1 1 A 44 44 GLN N N 44 114.928 118.000 -3.072 1
1 538 . 16 1 1 A 45 45 LEU H H 45 8.463 8.020 0.443 1
1 539 . 16 1 1 A 45 45 LEU HA H 45 4.567 4.220 0.347 1
1 549 . 16 1 1 A 45 45 LEU C C 45 178.381 177.055 1.326 1
1 550 . 16 1 1 A 45 45 LEU CA C 45 54.564 55.042 -0.478 1
1 551 . 16 1 1 A 45 45 LEU CB C 45 43.031 42.320 0.711 1
1 555 . 16 1 1 A 45 45 LEU N N 45 117.028 117.303 -0.275 1
1 556 . 16 1 1 A 46 46 GLY H H 46 7.852 8.858 -1.006 1
1 557 . 16 1 1 A 46 46 GLY HA2 H 46 4.005 3.866 0.139 1
1 558 . 16 1 1 A 46 46 GLY HA3 H 46 4.167 3.873 0.294 1
1 559 . 16 1 1 A 46 46 GLY C C 46 173.114 173.459 -0.345 1
1 560 . 16 1 1 A 46 46 GLY CA C 46 46.080 45.976 0.104 1
1 561 . 16 1 1 A 46 46 GLY N N 46 108.569 107.723 0.846 1
1 562 . 16 1 1 A 47 47 ILE H H 47 7.281 7.535 -0.254 1
1 563 . 16 1 1 A 47 47 ILE HA H 47 4.735 4.883 -0.148 1
1 573 . 16 1 1 A 47 47 ILE C C 47 172.231 174.333 -2.102 1
1 574 . 16 1 1 A 47 47 ILE CA C 47 59.240 58.773 0.467 1
1 575 . 16 1 1 A 47 47 ILE CB C 47 42.470 42.143 0.327 1
1 579 . 16 1 1 A 47 47 ILE N N 47 115.396 115.882 -0.486 1
1 580 . 16 1 1 A 48 48 SER H H 48 8.298 8.824 -0.526 1
1 581 . 16 1 1 A 48 48 SER HA H 48 4.725 4.624 0.101 1
1 584 . 16 1 1 A 48 48 SER C C 48 174.600 175.681 -1.081 1
1 585 . 16 1 1 A 48 48 SER CA C 48 57.092 59.127 -2.035 1
1 586 . 16 1 1 A 48 48 SER CB C 48 65.286 63.635 1.651 1
1 587 . 16 1 1 A 48 48 SER N N 48 115.685 118.942 -3.257 1
1 588 . 16 1 1 A 49 49 VAL H H 49 8.296 8.788 -0.492 1
1 589 . 16 1 1 A 49 49 VAL HA H 49 3.081 3.851 -0.770 1
1 597 . 16 1 1 A 49 49 VAL C C 49 177.888 177.420 0.468 1
1 598 . 16 1 1 A 49 49 VAL CA C 49 65.881 67.501 -1.620 1
1 599 . 16 1 1 A 49 49 VAL CB C 49 31.149 31.559 -0.410 1
1 602 . 16 1 1 A 49 49 VAL N N 49 120.175 124.035 -3.860 1
1 603 . 16 1 1 A 50 50 LEU H H 50 8.138 8.260 -0.122 1
1 604 . 16 1 1 A 50 50 LEU HA H 50 4.011 4.102 -0.091 1
1 614 . 16 1 1 A 50 50 LEU C C 50 180.412 180.035 0.377 1
1 615 . 16 1 1 A 50 50 LEU CA C 50 57.962 58.016 -0.054 1
1 616 . 16 1 1 A 50 50 LEU CB C 50 41.224 41.135 0.089 1
1 620 . 16 1 1 A 50 50 LEU N N 50 116.998 119.204 -2.206 1
1 621 . 16 1 1 A 51 51 SER H H 51 8.087 8.202 -0.115 1
1 622 . 16 1 1 A 51 51 SER HA H 51 4.279 4.193 0.086 1
1 624 . 16 1 1 A 51 51 SER C C 51 176.081 175.957 0.124 1
1 625 . 16 1 1 A 51 51 SER CA C 51 62.174 62.652 -0.478 1
1 626 . 16 1 1 A 51 51 SER N N 51 117.207 114.840 2.367 1
1 627 . 16 1 1 A 52 52 TRP H H 52 8.913 8.330 0.583 1
1 628 . 16 1 1 A 52 52 TRP HA H 52 4.067 4.230 -0.163 1
1 637 . 16 1 1 A 52 52 TRP C C 52 178.579 177.971 0.608 1
1 638 . 16 1 1 A 52 52 TRP CA C 52 63.288 61.240 2.048 1
1 639 . 16 1 1 A 52 52 TRP CB C 52 29.159 29.935 -0.776 1
1 645 . 16 1 1 A 52 52 TRP N N 52 124.958 124.179 0.779 1
1 647 . 16 1 1 A 53 53 ARG H H 53 8.547 8.276 0.271 1
1 648 . 16 1 1 A 53 53 ARG HA H 53 3.578 3.474 0.104 1
1 654 . 16 1 1 A 53 53 ARG C C 53 177.290 178.792 -1.502 1
1 655 . 16 1 1 A 53 53 ARG CA C 53 60.443 59.482 0.961 1
1 656 . 16 1 1 A 53 53 ARG CB C 53 30.001 29.689 0.312 1
1 659 . 16 1 1 A 53 53 ARG N N 53 118.356 119.226 -0.870 1
1 660 . 16 1 1 A 54 54 GLU H H 54 8.002 7.628 0.374 1
1 661 . 16 1 1 A 54 54 GLU HA H 54 4.016 4.084 -0.068 1
1 666 . 16 1 1 A 54 54 GLU C C 54 178.460 178.301 0.159 1
1 667 . 16 1 1 A 54 54 GLU CA C 54 59.982 59.580 0.402 1
1 668 . 16 1 1 A 54 54 GLU CB C 54 29.759 29.188 0.571 1
1 670 . 16 1 1 A 54 54 GLU N N 54 118.818 119.075 -0.257 1
1 671 . 16 1 1 A 55 55 ASP H H 55 8.111 8.730 -0.619 1
1 672 . 16 1 1 A 55 55 ASP HA H 55 4.289 4.302 -0.013 1
1 675 . 16 1 1 A 55 55 ASP C C 55 179.313 178.264 1.049 1
1 676 . 16 1 1 A 55 55 ASP CA C 55 57.131 57.716 -0.585 1
1 677 . 16 1 1 A 55 55 ASP CB C 55 40.227 42.485 -2.258 1
1 678 . 16 1 1 A 55 55 ASP N N 55 119.156 120.227 -1.071 1
1 679 . 16 1 1 A 56 56 GLN H H 56 8.099 7.581 0.518 1
1 680 . 16 1 1 A 56 56 GLN HA H 56 3.781 3.885 -0.104 1
1 687 . 16 1 1 A 56 56 GLN C C 56 178.700 178.664 0.036 1
1 688 . 16 1 1 A 56 56 GLN CA C 56 57.487 58.706 -1.219 1
1 689 . 16 1 1 A 56 56 GLN CB C 56 27.430 27.811 -0.381 1
1 692 . 16 1 1 A 56 56 GLN N N 56 119.807 117.824 1.983 1
1 694 . 16 1 1 A 57 57 ARG H H 57 8.240 7.558 0.682 1
1 695 . 16 1 1 A 57 57 ARG HA H 57 3.898 4.085 -0.187 1
1 702 . 16 1 1 A 57 57 ARG C C 57 178.185 178.837 -0.652 1
1 703 . 16 1 1 A 57 57 ARG CA C 57 60.671 59.137 1.534 1
1 704 . 16 1 1 A 57 57 ARG CB C 57 31.221 29.995 1.226 1
1 707 . 16 1 1 A 57 57 ARG N N 57 120.129 119.548 0.581 1
1 708 . 16 1 1 A 58 58 ILE H H 58 7.885 7.609 0.276 1
1 709 . 16 1 1 A 58 58 ILE HA H 58 3.978 4.078 -0.100 1
1 719 . 16 1 1 A 58 58 ILE C C 58 178.357 178.109 0.248 1
1 720 . 16 1 1 A 58 58 ILE CA C 58 61.684 64.443 -2.759 1
1 721 . 16 1 1 A 58 58 ILE CB C 58 34.538 37.204 -2.666 1
1 725 . 16 1 1 A 58 58 ILE N N 58 118.096 121.152 -3.056 1
1 726 . 16 1 1 A 59 59 SER H H 59 8.563 8.220 0.343 1
1 727 . 16 1 1 A 59 59 SER HA H 59 4.010 4.048 -0.038 1
1 728 . 16 1 1 A 59 59 SER C C 59 177.731 177.234 0.497 1
1 729 . 16 1 1 A 59 59 SER CA C 59 62.459 61.438 1.021 1
1 730 . 16 1 1 A 59 59 SER N N 59 117.208 116.427 0.781 1
1 731 . 16 1 1 A 60 60 GLN H H 60 8.471 8.008 0.463 1
1 732 . 16 1 1 A 60 60 GLN HA H 60 4.228 4.015 0.213 1
1 739 . 16 1 1 A 60 60 GLN C C 60 177.958 177.594 0.364 1
1 740 . 16 1 1 A 60 60 GLN CA C 60 58.233 58.481 -0.248 1
1 741 . 16 1 1 A 60 60 GLN CB C 60 27.288 28.798 -1.510 1
1 744 . 16 1 1 A 60 60 GLN N N 60 121.780 120.796 0.984 1
1 746 . 16 1 1 A 61 61 ALA H H 61 8.504 7.880 0.624 1
1 747 . 16 1 1 A 61 61 ALA HA H 61 3.947 3.962 -0.015 1
1 751 . 16 1 1 A 61 61 ALA C C 61 179.360 179.829 -0.469 1
1 752 . 16 1 1 A 61 61 ALA CA C 61 55.413 55.050 0.363 1
1 753 . 16 1 1 A 61 61 ALA CB C 61 18.124 18.268 -0.144 1
1 754 . 16 1 1 A 61 61 ALA N N 61 122.352 122.119 0.233 1
1 755 . 16 1 1 A 62 62 LYS H H 62 8.776 7.915 0.861 1
1 756 . 16 1 1 A 62 62 LYS HA H 62 3.722 4.146 -0.424 1
1 765 . 16 1 1 A 62 62 LYS C C 62 179.330 179.488 -0.158 1
1 766 . 16 1 1 A 62 62 LYS CA C 62 60.632 59.669 0.963 1
1 767 . 16 1 1 A 62 62 LYS CB C 62 32.580 32.142 0.438 1
1 771 . 16 1 1 A 62 62 LYS N N 62 117.072 117.356 -0.284 1
1 772 . 16 1 1 A 63 63 LEU H H 63 7.670 7.495 0.175 1
1 773 . 16 1 1 A 63 63 LEU HA H 63 4.233 4.042 0.191 1
1 783 . 16 1 1 A 63 63 LEU C C 63 180.902 178.344 2.558 1
1 784 . 16 1 1 A 63 63 LEU CA C 63 58.446 58.053 0.393 1
1 785 . 16 1 1 A 63 63 LEU CB C 63 41.598 41.795 -0.197 1
1 789 . 16 1 1 A 63 63 LEU N N 63 121.196 121.796 -0.600 1
1 790 . 16 1 1 A 64 64 LEU H H 64 8.585 7.799 0.786 1
1 791 . 16 1 1 A 64 64 LEU HA H 64 4.088 3.999 0.089 1
1 801 . 16 1 1 A 64 64 LEU C C 64 180.869 179.220 1.649 1
1 802 . 16 1 1 A 64 64 LEU CA C 64 57.782 58.035 -0.253 1
1 803 . 16 1 1 A 64 64 LEU CB C 64 42.760 41.064 1.696 1
1 807 . 16 1 1 A 64 64 LEU N N 64 121.842 117.240 4.602 1
1 808 . 16 1 1 A 65 65 LEU H H 65 9.100 8.252 0.848 1
1 809 . 16 1 1 A 65 65 LEU HA H 65 4.346 4.200 0.146 1
1 819 . 16 1 1 A 65 65 LEU C C 65 178.659 179.302 -0.643 1
1 820 . 16 1 1 A 65 65 LEU CA C 65 57.408 57.596 -0.188 1
1 821 . 16 1 1 A 65 65 LEU CB C 65 43.013 40.780 2.233 1
1 825 . 16 1 1 A 65 65 LEU N N 65 119.872 119.976 -0.104 1
1 826 . 16 1 1 A 66 66 SER H H 66 8.303 7.810 0.493 1
1 827 . 16 1 1 A 66 66 SER HA H 66 4.211 4.401 -0.190 1
1 829 . 16 1 1 A 66 66 SER C C 66 176.580 174.982 1.598 1
1 830 . 16 1 1 A 66 66 SER CA C 66 60.155 61.395 -1.240 1
1 831 . 16 1 1 A 66 66 SER CB C 66 65.198 63.582 1.616 1
1 832 . 16 1 1 A 66 66 SER N N 66 110.490 115.242 -4.752 1
1 833 . 16 1 1 A 67 67 THR H H 67 7.901 7.999 -0.098 1
1 834 . 16 1 1 A 67 67 THR HA H 67 4.812 4.567 0.245 1
1 839 . 16 1 1 A 67 67 THR C C 67 174.240 173.982 0.258 1
1 840 . 16 1 1 A 67 67 THR CA C 67 62.400 61.744 0.656 1
1 841 . 16 1 1 A 67 67 THR CB C 67 71.512 70.342 1.170 1
1 843 . 16 1 1 A 67 67 THR N N 67 108.414 113.863 -5.449 1
1 844 . 16 1 1 A 68 68 THR H H 68 7.507 7.367 0.140 1
1 845 . 16 1 1 A 68 68 THR HA H 68 5.096 4.790 0.306 1
1 850 . 16 1 1 A 68 68 THR C C 68 174.263 174.030 0.233 1
1 851 . 16 1 1 A 68 68 THR CA C 68 60.124 59.492 0.632 1
1 852 . 16 1 1 A 68 68 THR CB C 68 72.795 71.928 0.867 1
1 854 . 16 1 1 A 68 68 THR N N 68 111.673 112.383 -0.710 1
1 855 . 16 1 1 A 69 69 ARG H H 69 8.767 8.372 0.395 1
1 856 . 16 1 1 A 69 69 ARG HA H 69 4.422 4.656 -0.234 1
1 863 . 16 1 1 A 69 69 ARG C C 69 176.568 176.590 -0.022 1
1 864 . 16 1 1 A 69 69 ARG CA C 69 53.692 55.160 -1.468 1
1 865 . 16 1 1 A 69 69 ARG CB C 69 28.814 30.669 -1.855 1
1 868 . 16 1 1 A 69 69 ARG N N 69 118.034 119.345 -1.311 1
1 869 . 16 1 1 A 70 70 MET H H 70 7.996 7.558 0.438 1
1 870 . 16 1 1 A 70 70 MET HA H 70 4.470 4.506 -0.036 1
1 878 . 16 1 1 A 70 70 MET CA C 70 55.386 55.259 0.127 1
1 879 . 16 1 1 A 70 70 MET CB C 70 34.080 32.470 1.610 1
1 882 . 16 1 1 A 70 70 MET N N 70 122.491 121.323 1.168 1
1 883 . 16 1 1 A 71 71 PRO HA H 71 4.574 4.515 0.059 1
1 890 . 16 1 1 A 71 71 PRO C C 71 177.204 177.267 -0.063 1
1 891 . 16 1 1 A 71 71 PRO CA C 71 62.915 62.550 0.365 1
1 892 . 16 1 1 A 71 71 PRO CB C 71 32.380 32.524 -0.144 1
1 895 . 16 1 1 A 72 72 ILE H H 72 8.782 8.350 0.432 1
1 896 . 16 1 1 A 72 72 ILE HA H 72 3.407 3.556 -0.149 1
1 906 . 16 1 1 A 72 72 ILE C C 72 177.760 178.013 -0.253 1
1 907 . 16 1 1 A 72 72 ILE CA C 72 65.627 64.612 1.015 1
1 908 . 16 1 1 A 72 72 ILE CB C 72 36.771 37.617 -0.846 1
1 912 . 16 1 1 A 72 72 ILE N N 72 124.417 123.137 1.280 1
1 913 . 16 1 1 A 73 73 ALA H H 73 9.109 8.094 1.015 1
1 914 . 16 1 1 A 73 73 ALA HA H 73 3.974 4.017 -0.043 1
1 918 . 16 1 1 A 73 73 ALA C C 73 180.248 179.637 0.611 1
1 919 . 16 1 1 A 73 73 ALA CA C 73 55.232 55.167 0.065 1
1 920 . 16 1 1 A 73 73 ALA CB C 73 18.338 18.275 0.063 1
1 921 . 16 1 1 A 73 73 ALA N N 73 119.077 123.189 -4.112 1
1 922 . 16 1 1 A 74 74 THR H H 74 7.112 7.924 -0.812 1
1 923 . 16 1 1 A 74 74 THR HA H 74 3.875 3.991 -0.116 1
1 928 . 16 1 1 A 74 74 THR C C 74 175.761 176.862 -1.101 1
1 929 . 16 1 1 A 74 74 THR CA C 74 65.841 66.734 -0.893 1
1 930 . 16 1 1 A 74 74 THR CB C 74 68.248 67.905 0.343 1
1 932 . 16 1 1 A 74 74 THR N N 74 114.866 114.963 -0.097 1
1 933 . 16 1 1 A 75 75 VAL H H 75 8.087 7.968 0.119 1
1 934 . 16 1 1 A 75 75 VAL HA H 75 3.305 3.565 -0.260 1
1 942 . 16 1 1 A 75 75 VAL C C 75 177.048 177.538 -0.490 1
1 943 . 16 1 1 A 75 75 VAL CA C 75 67.681 66.249 1.432 1
1 944 . 16 1 1 A 75 75 VAL CB C 75 30.831 31.375 -0.544 1
1 947 . 16 1 1 A 75 75 VAL N N 75 123.901 121.653 2.248 1
1 948 . 16 1 1 A 76 76 GLY H H 76 7.673 8.100 -0.427 1
1 949 . 16 1 1 A 76 76 GLY HA2 H 76 2.235 3.168 -0.933 1
1 950 . 16 1 1 A 76 76 GLY HA3 H 76 3.003 3.498 -0.495 1
1 951 . 16 1 1 A 76 76 GLY C C 76 176.562 175.728 0.834 1
1 952 . 16 1 1 A 76 76 GLY CA C 76 46.293 46.806 -0.513 1
1 953 . 16 1 1 A 76 76 GLY N N 76 102.438 107.365 -4.927 1
1 954 . 16 1 1 A 77 77 ARG H H 77 7.760 7.673 0.087 1
1 955 . 16 1 1 A 77 77 ARG HA H 77 3.982 4.052 -0.070 1
1 962 . 16 1 1 A 77 77 ARG C C 77 180.332 178.748 1.584 1
1 963 . 16 1 1 A 77 77 ARG CA C 77 59.550 59.279 0.271 1
1 964 . 16 1 1 A 77 77 ARG CB C 77 30.085 30.307 -0.222 1
1 967 . 16 1 1 A 77 77 ARG N N 77 122.228 121.792 0.436 1
1 968 . 16 1 1 A 78 78 ASN H H 78 8.230 7.745 0.485 1
1 969 . 16 1 1 A 78 78 ASN HA H 78 4.397 4.561 -0.164 1
1 974 . 16 1 1 A 78 78 ASN C C 78 176.105 176.192 -0.087 1
1 975 . 16 1 1 A 78 78 ASN CA C 78 55.615 55.300 0.315 1
1 976 . 16 1 1 A 78 78 ASN CB C 78 38.806 38.451 0.355 1
1 978 . 16 1 1 A 78 78 ASN N N 78 119.139 116.577 2.562 1
1 980 . 16 1 1 A 79 79 VAL H H 79 7.323 7.719 -0.396 1
1 981 . 16 1 1 A 79 79 VAL HA H 79 4.438 4.269 0.169 1
1 989 . 16 1 1 A 79 79 VAL C C 79 174.220 176.676 -2.456 1
1 990 . 16 1 1 A 79 79 VAL CA C 79 59.911 62.357 -2.446 1
1 991 . 16 1 1 A 79 79 VAL CB C 79 31.400 32.269 -0.869 1
1 994 . 16 1 1 A 79 79 VAL N N 79 108.664 115.205 -6.541 1
1 995 . 16 1 1 A 80 80 GLY H H 80 7.286 7.945 -0.659 1
1 996 . 16 1 1 A 80 80 GLY HA2 H 80 3.540 3.953 -0.413 1
1 997 . 16 1 1 A 80 80 GLY HA3 H 80 4.023 3.957 0.066 1
1 998 . 16 1 1 A 80 80 GLY C C 80 174.383 174.546 -0.163 1
1 999 . 16 1 1 A 80 80 GLY CA C 80 45.739 45.751 -0.012 1
1 1000 . 16 1 1 A 80 80 GLY N N 80 104.635 109.894 -5.259 1
1 1001 . 16 1 1 A 81 81 PHE H H 81 8.535 8.254 0.281 1
1 1002 . 16 1 1 A 81 81 PHE HA H 81 4.845 4.714 0.131 1
1 1010 . 16 1 1 A 81 81 PHE C C 81 174.570 175.648 -1.078 1
1 1011 . 16 1 1 A 81 81 PHE CA C 81 56.375 57.991 -1.616 1
1 1012 . 16 1 1 A 81 81 PHE CB C 81 39.941 40.294 -0.353 1
1 1018 . 16 1 1 A 81 81 PHE N N 81 119.772 119.045 0.727 1
1 1019 . 16 1 1 A 82 82 ASP H H 82 8.564 8.736 -0.172 1
1 1020 . 16 1 1 A 82 82 ASP HA H 82 4.491 4.657 -0.166 1
1 1023 . 16 1 1 A 82 82 ASP C C 82 175.170 176.004 -0.834 1
1 1024 . 16 1 1 A 82 82 ASP CA C 82 55.195 56.539 -1.344 1
1 1025 . 16 1 1 A 82 82 ASP CB C 82 41.010 42.389 -1.379 1
1 1026 . 16 1 1 A 82 82 ASP N N 82 123.028 124.061 -1.033 1
1 1027 . 16 1 1 A 83 83 ASP H H 83 7.789 8.064 -0.275 1
1 1028 . 16 1 1 A 83 83 ASP HA H 83 4.947 4.948 -0.001 1
1 1031 . 16 1 1 A 83 83 ASP C C 83 176.347 176.953 -0.606 1
1 1032 . 16 1 1 A 83 83 ASP CA C 83 52.690 53.396 -0.706 1
1 1033 . 16 1 1 A 83 83 ASP CB C 83 43.152 42.608 0.544 1
1 1034 . 16 1 1 A 83 83 ASP N N 83 118.576 119.309 -0.733 1
1 1035 . 16 1 1 A 84 84 GLN H H 84 9.104 8.841 0.263 1
1 1036 . 16 1 1 A 84 84 GLN HA H 84 4.333 4.140 0.193 1
1 1043 . 16 1 1 A 84 84 GLN C C 84 177.986 178.028 -0.042 1
1 1044 . 16 1 1 A 84 84 GLN CA C 84 58.909 58.520 0.389 1
1 1045 . 16 1 1 A 84 84 GLN CB C 84 28.267 28.008 0.259 1
1 1048 . 16 1 1 A 84 84 GLN N N 84 126.543 124.555 1.988 1
1 1050 . 16 1 1 A 85 85 LEU H H 85 8.419 8.189 0.230 1
1 1051 . 16 1 1 A 85 85 LEU HA H 85 4.210 4.125 0.085 1
1 1061 . 16 1 1 A 85 85 LEU C C 85 179.472 179.012 0.460 1
1 1062 . 16 1 1 A 85 85 LEU CA C 85 57.958 57.903 0.055 1
1 1063 . 16 1 1 A 85 85 LEU CB C 85 40.678 41.791 -1.113 1
1 1067 . 16 1 1 A 85 85 LEU N N 85 123.486 121.894 1.592 1
1 1068 . 16 1 1 A 86 86 TYR H H 86 8.042 8.612 -0.570 1
1 1069 . 16 1 1 A 86 86 TYR HA H 86 4.288 4.157 0.131 1
1 1076 . 16 1 1 A 86 86 TYR C C 86 177.195 177.748 -0.553 1
1 1077 . 16 1 1 A 86 86 TYR CA C 86 60.367 61.900 -1.533 1
1 1078 . 16 1 1 A 86 86 TYR CB C 86 38.184 38.475 -0.291 1
1 1083 . 16 1 1 A 86 86 TYR N N 86 122.679 119.965 2.714 1
1 1084 . 16 1 1 A 87 87 PHE H H 87 8.219 7.901 0.318 1
1 1085 . 16 1 1 A 87 87 PHE HA H 87 3.261 3.843 -0.582 1
1 1093 . 16 1 1 A 87 87 PHE C C 87 175.875 178.002 -2.127 1
1 1094 . 16 1 1 A 87 87 PHE CA C 87 58.536 61.478 -2.942 1
1 1095 . 16 1 1 A 87 87 PHE CB C 87 38.124 39.034 -0.910 1
1 1101 . 16 1 1 A 87 87 PHE N N 87 116.536 120.883 -4.347 1
1 1102 . 16 1 1 A 88 88 SER H H 88 8.082 7.940 0.142 1
1 1103 . 16 1 1 A 88 88 SER HA H 88 3.951 4.110 -0.159 1
1 1105 . 16 1 1 A 88 88 SER C C 88 175.926 177.097 -1.171 1
1 1106 . 16 1 1 A 88 88 SER CA C 88 62.398 61.532 0.866 1
1 1107 . 16 1 1 A 88 88 SER N N 88 112.937 114.075 -1.138 1
1 1108 . 16 1 1 A 89 89 ARG H H 89 7.843 7.742 0.101 1
1 1109 . 16 1 1 A 89 89 ARG HA H 89 3.975 4.110 -0.135 1
1 1116 . 16 1 1 A 89 89 ARG C C 89 179.414 178.856 0.558 1
1 1117 . 16 1 1 A 89 89 ARG CA C 89 59.452 59.236 0.216 1
1 1118 . 16 1 1 A 89 89 ARG CB C 89 30.242 30.124 0.118 1
1 1121 . 16 1 1 A 89 89 ARG N N 89 121.621 122.353 -0.732 1
1 1122 . 16 1 1 A 90 90 VAL H H 90 8.235 7.598 0.637 1
1 1123 . 16 1 1 A 90 90 VAL HA H 90 3.530 3.533 -0.003 1
1 1131 . 16 1 1 A 90 90 VAL C C 90 177.752 177.933 -0.181 1
1 1132 . 16 1 1 A 90 90 VAL CA C 90 66.208 66.187 0.021 1
1 1133 . 16 1 1 A 90 90 VAL CB C 90 31.649 31.780 -0.131 1
1 1136 . 16 1 1 A 90 90 VAL N N 90 122.095 119.864 2.231 1
1 1137 . 16 1 1 A 91 91 PHE H H 91 8.763 8.423 0.340 1
1 1138 . 16 1 1 A 91 91 PHE HA H 91 3.584 3.771 -0.187 1
1 1141 . 16 1 1 A 91 91 PHE C C 91 178.386 177.322 1.064 1
1 1142 . 16 1 1 A 91 91 PHE CA C 91 62.523 60.309 2.214 1
1 1143 . 16 1 1 A 91 91 PHE CB C 91 39.528 38.178 1.350 1
1 1144 . 16 1 1 A 91 91 PHE N N 91 121.769 119.921 1.848 1
1 1145 . 16 1 1 A 92 92 LYS H H 92 8.237 8.407 -0.170 1
1 1146 . 16 1 1 A 92 92 LYS HA H 92 4.217 4.351 -0.134 1
1 1153 . 16 1 1 A 92 92 LYS C C 92 179.621 179.104 0.517 1
1 1154 . 16 1 1 A 92 92 LYS CA C 92 58.597 60.063 -1.466 1
1 1155 . 16 1 1 A 92 92 LYS CB C 92 32.290 32.663 -0.373 1
1 1159 . 16 1 1 A 92 92 LYS N N 92 121.441 118.588 2.853 1
1 1160 . 16 1 1 A 93 93 LYS H H 93 8.013 7.560 0.453 1
1 1161 . 16 1 1 A 93 93 LYS HA H 93 3.956 4.032 -0.076 1
1 1169 . 16 1 1 A 93 93 LYS C C 93 178.611 178.862 -0.251 1
1 1170 . 16 1 1 A 93 93 LYS CA C 93 59.356 59.007 0.349 1
1 1171 . 16 1 1 A 93 93 LYS CB C 93 31.785 31.902 -0.117 1
1 1175 . 16 1 1 A 93 93 LYS N N 93 122.286 118.216 4.070 1
1 1176 . 16 1 1 A 94 94 CYS H H 94 7.818 7.815 0.003 1
1 1177 . 16 1 1 A 94 94 CYS HA H 94 4.224 3.874 0.350 1
1 1180 . 16 1 1 A 94 94 CYS C C 94 176.440 175.749 0.691 1
1 1181 . 16 1 1 A 94 94 CYS CA C 94 62.517 62.396 0.121 1
1 1182 . 16 1 1 A 94 94 CYS CB C 94 28.104 26.169 1.935 1
1 1183 . 16 1 1 A 94 94 CYS N N 94 113.581 118.847 -5.266 1
1 1184 . 16 1 1 A 95 95 THR H H 95 8.038 7.104 0.934 1
1 1185 . 16 1 1 A 95 95 THR HA H 95 4.397 4.390 0.007 1
1 1190 . 16 1 1 A 95 95 THR C C 95 176.237 175.650 0.587 1
1 1191 . 16 1 1 A 95 95 THR CA C 95 62.507 61.778 0.729 1
1 1192 . 16 1 1 A 95 95 THR CB C 95 71.481 70.647 0.834 1
1 1194 . 16 1 1 A 95 95 THR N N 95 106.903 108.304 -1.401 1
1 1195 . 16 1 1 A 96 96 GLY H H 96 8.526 8.701 -0.175 1
1 1196 . 16 1 1 A 96 96 GLY HA2 H 96 3.724 3.873 -0.149 1
1 1197 . 16 1 1 A 96 96 GLY HA3 H 96 4.374 3.880 0.494 1
1 1198 . 16 1 1 A 96 96 GLY C C 96 172.550 173.379 -0.829 1
1 1199 . 16 1 1 A 96 96 GLY CA C 96 45.264 45.266 -0.002 1
1 1200 . 16 1 1 A 96 96 GLY N N 96 112.762 111.426 1.336 1
1 1201 . 16 1 1 A 97 97 ALA H H 97 8.560 7.079 1.481 1
1 1202 . 16 1 1 A 97 97 ALA HA H 97 4.841 4.849 -0.008 1
1 1206 . 16 1 1 A 97 97 ALA C C 97 175.280 176.528 -1.248 1
1 1207 . 16 1 1 A 97 97 ALA CA C 97 50.176 51.070 -0.894 1
1 1208 . 16 1 1 A 97 97 ALA CB C 97 22.551 22.734 -0.183 1
1 1209 . 16 1 1 A 97 97 ALA N N 97 125.656 120.964 4.692 1
1 1210 . 16 1 1 A 98 98 SER H H 98 8.817 8.716 0.101 1
1 1211 . 16 1 1 A 98 98 SER HA H 98 4.656 4.787 -0.131 1
1 1212 . 16 1 1 A 98 98 SER CA C 98 56.612 56.884 -0.272 1
1 1213 . 16 1 1 A 98 98 SER N N 98 114.919 114.021 0.898 1
1 1214 . 16 1 1 A 99 99 PRO HA H 99 3.500 4.317 -0.817 1
1 1220 . 16 1 1 A 99 99 PRO C C 99 177.585 177.887 -0.302 1
1 1221 . 16 1 1 A 99 99 PRO CA C 99 66.202 64.299 1.903 1
1 1222 . 16 1 1 A 99 99 PRO CB C 99 32.030 31.676 0.354 1
1 1225 . 16 1 1 A 100 100 SER H H 100 8.254 8.228 0.026 1
1 1226 . 16 1 1 A 100 100 SER HA H 100 4.029 4.241 -0.212 1
1 1227 . 16 1 1 A 100 100 SER C C 100 177.441 176.854 0.587 1
1 1228 . 16 1 1 A 100 100 SER CA C 100 61.891 61.011 0.880 1
1 1229 . 16 1 1 A 100 100 SER N N 100 111.230 112.367 -1.137 1
1 1230 . 16 1 1 A 101 101 GLU H H 101 7.848 7.967 -0.119 1
1 1231 . 16 1 1 A 101 101 GLU HA H 101 4.021 4.048 -0.027 1
1 1236 . 16 1 1 A 101 101 GLU C C 101 179.288 178.637 0.651 1
1 1237 . 16 1 1 A 101 101 GLU CA C 101 58.822 59.418 -0.596 1
1 1238 . 16 1 1 A 101 101 GLU CB C 101 29.846 29.599 0.247 1
1 1240 . 16 1 1 A 101 101 GLU N N 101 125.150 122.542 2.608 1
1 1241 . 16 1 1 A 102 102 PHE H H 102 8.923 7.957 0.966 1
1 1242 . 16 1 1 A 102 102 PHE HA H 102 4.155 4.137 0.018 1
1 1245 . 16 1 1 A 102 102 PHE C C 102 178.343 177.914 0.429 1
1 1246 . 16 1 1 A 102 102 PHE CA C 102 61.315 61.625 -0.310 1
1 1247 . 16 1 1 A 102 102 PHE CB C 102 40.083 39.541 0.542 1
1 1248 . 16 1 1 A 102 102 PHE N N 102 121.281 120.780 0.501 1
1 1249 . 16 1 1 A 103 103 ARG H H 103 8.210 8.424 -0.214 1
1 1250 . 16 1 1 A 103 103 ARG HA H 103 3.830 4.057 -0.227 1
1 1257 . 16 1 1 A 103 103 ARG C C 103 177.602 178.231 -0.629 1
1 1258 . 16 1 1 A 103 103 ARG CA C 103 59.235 59.485 -0.250 1
1 1261 . 16 1 1 A 103 103 ARG N N 103 119.223 118.602 0.621 1
1 1262 . 16 1 1 A 104 104 ALA H H 104 7.905 7.118 0.787 1
1 1263 . 16 1 1 A 104 104 ALA HA H 104 4.186 4.208 -0.022 1
1 1267 . 16 1 1 A 104 104 ALA C C 104 179.126 177.954 1.172 1
1 1268 . 16 1 1 A 104 104 ALA CA C 104 54.188 52.767 1.421 1
1 1269 . 16 1 1 A 104 104 ALA CB C 104 18.254 19.576 -1.322 1
1 1270 . 16 1 1 A 104 104 ALA N N 104 120.546 119.596 0.950 1
1 1271 . 16 1 1 A 105 105 GLY H H 105 7.676 7.889 -0.213 1
1 1272 . 16 1 1 A 105 105 GLY HA2 H 105 3.849 3.728 0.121 1
1 1273 . 16 1 1 A 105 105 GLY HA3 H 105 4.052 3.831 0.221 1
1 1274 . 16 1 1 A 105 105 GLY C C 105 174.515 174.099 0.416 1
1 1275 . 16 1 1 A 105 105 GLY CA C 105 45.317 45.096 0.221 1
1 1276 . 16 1 1 A 105 105 GLY N N 105 104.677 106.806 -2.129 1
1 1277 . 16 1 1 A 106 106 CYS H H 106 7.599 7.860 -0.261 1
1 1278 . 16 1 1 A 106 106 CYS HA H 106 4.447 4.310 0.137 1
1 1281 . 16 1 1 A 106 106 CYS C C 106 173.823 175.595 -1.772 1
1 1282 . 16 1 1 A 106 106 CYS CA C 106 59.123 59.491 -0.368 1
1 1283 . 16 1 1 A 106 106 CYS CB C 106 28.004 27.597 0.407 1
1 1284 . 16 1 1 A 106 106 CYS N N 106 118.321 120.265 -1.944 1
1 14 . 17 1 1 A 2 2 ASP H H 2 8.989 8.377 0.612 1
1 15 . 17 1 1 A 2 2 ASP HA H 2 4.662 4.601 0.061 1
1 18 . 17 1 1 A 2 2 ASP C C 2 177.024 177.242 -0.218 1
1 19 . 17 1 1 A 2 2 ASP CA C 2 54.092 54.302 -0.210 1
1 20 . 17 1 1 A 2 2 ASP CB C 2 42.743 42.831 -0.088 1
1 21 . 17 1 1 A 2 2 ASP N N 2 126.287 120.294 5.993 1
1 22 . 17 1 1 A 3 3 ASN H H 3 9.165 8.802 0.363 1
1 23 . 17 1 1 A 3 3 ASN HA H 3 4.446 4.341 0.105 1
1 28 . 17 1 1 A 3 3 ASN C C 3 177.306 177.271 0.035 1
1 29 . 17 1 1 A 3 3 ASN CA C 3 56.355 56.999 -0.644 1
1 30 . 17 1 1 A 3 3 ASN CB C 3 38.382 38.044 0.338 1
1 32 . 17 1 1 A 3 3 ASN N N 3 124.055 123.370 0.685 1
1 34 . 17 1 1 A 4 4 ARG H H 4 9.092 7.806 1.286 1
1 35 . 17 1 1 A 4 4 ARG HA H 4 4.183 4.059 0.124 1
1 42 . 17 1 1 A 4 4 ARG C C 4 178.824 178.715 0.109 1
1 43 . 17 1 1 A 4 4 ARG CA C 4 59.401 59.333 0.068 1
1 44 . 17 1 1 A 4 4 ARG CB C 4 29.437 29.961 -0.524 1
1 47 . 17 1 1 A 4 4 ARG N N 4 119.970 119.710 0.260 1
1 48 . 17 1 1 A 5 5 VAL H H 5 7.588 7.984 -0.396 1
1 49 . 17 1 1 A 5 5 VAL HA H 5 3.458 3.595 -0.137 1
1 57 . 17 1 1 A 5 5 VAL C C 5 177.573 177.981 -0.408 1
1 58 . 17 1 1 A 5 5 VAL CA C 5 66.543 66.696 -0.153 1
1 59 . 17 1 1 A 5 5 VAL CB C 5 31.294 31.261 0.033 1
1 62 . 17 1 1 A 5 5 VAL N N 5 119.312 119.673 -0.361 1
1 63 . 17 1 1 A 6 6 ARG H H 6 7.920 8.407 -0.487 1
1 64 . 17 1 1 A 6 6 ARG HA H 6 3.860 3.922 -0.062 1
1 71 . 17 1 1 A 6 6 ARG C C 6 179.380 178.765 0.615 1
1 72 . 17 1 1 A 6 6 ARG CA C 6 60.197 59.296 0.901 1
1 73 . 17 1 1 A 6 6 ARG CB C 6 29.818 29.957 -0.139 1
1 76 . 17 1 1 A 6 6 ARG N N 6 120.863 119.860 1.003 1
1 77 . 17 1 1 A 7 7 GLU H H 7 8.262 8.084 0.178 1
1 78 . 17 1 1 A 7 7 GLU HA H 7 4.241 4.068 0.173 1
1 83 . 17 1 1 A 7 7 GLU C C 7 179.131 179.414 -0.283 1
1 84 . 17 1 1 A 7 7 GLU CA C 7 58.770 59.374 -0.604 1
1 85 . 17 1 1 A 7 7 GLU CB C 7 28.883 29.148 -0.265 1
1 87 . 17 1 1 A 7 7 GLU N N 7 119.166 119.186 -0.020 1
1 88 . 17 1 1 A 8 8 ALA H H 8 8.421 8.137 0.284 1
1 89 . 17 1 1 A 8 8 ALA HA H 8 4.046 4.305 -0.259 1
1 93 . 17 1 1 A 8 8 ALA C C 8 179.202 179.718 -0.516 1
1 94 . 17 1 1 A 8 8 ALA CA C 8 55.610 55.395 0.215 1
1 95 . 17 1 1 A 8 8 ALA CB C 8 18.512 18.046 0.466 1
1 96 . 17 1 1 A 8 8 ALA N N 8 123.947 122.571 1.376 1
1 97 . 17 1 1 A 9 9 CYS H H 9 8.490 7.873 0.617 1
1 98 . 17 1 1 A 9 9 CYS HA H 9 3.767 4.305 -0.538 1
1 101 . 17 1 1 A 9 9 CYS C C 9 176.858 177.538 -0.680 1
1 102 . 17 1 1 A 9 9 CYS CA C 9 64.480 62.505 1.975 1
1 103 . 17 1 1 A 9 9 CYS CB C 9 26.690 27.192 -0.502 1
1 104 . 17 1 1 A 9 9 CYS N N 9 116.232 118.322 -2.090 1
1 105 . 17 1 1 A 10 10 GLN H H 10 8.088 7.577 0.511 1
1 106 . 17 1 1 A 10 10 GLN HA H 10 4.022 4.147 -0.125 1
1 113 . 17 1 1 A 10 10 GLN C C 10 177.140 178.270 -1.130 1
1 114 . 17 1 1 A 10 10 GLN CA C 10 58.804 59.353 -0.549 1
1 115 . 17 1 1 A 10 10 GLN CB C 10 28.299 28.696 -0.397 1
1 118 . 17 1 1 A 10 10 GLN N N 10 120.817 119.865 0.952 1
1 120 . 17 1 1 A 11 11 TYR H H 11 8.367 7.806 0.561 1
1 121 . 17 1 1 A 11 11 TYR HA H 11 4.308 4.184 0.124 1
1 128 . 17 1 1 A 11 11 TYR C C 11 178.986 177.102 1.884 1
1 129 . 17 1 1 A 11 11 TYR CA C 11 61.850 61.483 0.367 1
1 130 . 17 1 1 A 11 11 TYR CB C 11 38.653 38.534 0.119 1
1 135 . 17 1 1 A 11 11 TYR N N 11 120.419 120.691 -0.272 1
1 136 . 17 1 1 A 12 12 ILE H H 12 8.886 8.591 0.295 1
1 137 . 17 1 1 A 12 12 ILE HA H 12 3.700 3.477 0.223 1
1 147 . 17 1 1 A 12 12 ILE C C 12 179.352 177.837 1.515 1
1 148 . 17 1 1 A 12 12 ILE CA C 12 65.621 65.228 0.393 1
1 149 . 17 1 1 A 12 12 ILE CB C 12 38.203 37.984 0.219 1
1 153 . 17 1 1 A 12 12 ILE N N 12 119.720 121.554 -1.834 1
1 154 . 17 1 1 A 13 13 SER H H 13 8.740 8.449 0.291 1
1 155 . 17 1 1 A 13 13 SER HA H 13 4.753 4.160 0.593 1
1 158 . 17 1 1 A 13 13 SER C C 13 176.355 176.146 0.209 1
1 159 . 17 1 1 A 13 13 SER CA C 13 62.551 61.340 1.211 1
1 160 . 17 1 1 A 13 13 SER CB C 13 62.468 62.448 0.020 1
1 161 . 17 1 1 A 13 13 SER N N 13 116.217 115.662 0.555 1
1 162 . 17 1 1 A 14 14 ASP H H 14 8.426 7.758 0.668 1
1 163 . 17 1 1 A 14 14 ASP HA H 14 4.438 4.358 0.080 1
1 166 . 17 1 1 A 14 14 ASP C C 14 176.838 177.665 -0.827 1
1 167 . 17 1 1 A 14 14 ASP CA C 14 55.988 57.039 -1.051 1
1 168 . 17 1 1 A 14 14 ASP CB C 14 40.500 40.836 -0.336 1
1 169 . 17 1 1 A 14 14 ASP N N 14 121.201 122.147 -0.946 1
1 170 . 17 1 1 A 15 15 HIS H H 15 7.530 7.388 0.142 1
1 171 . 17 1 1 A 15 15 HIS HA H 15 4.661 4.567 0.094 1
1 176 . 17 1 1 A 15 15 HIS C C 15 175.451 175.600 -0.149 1
1 177 . 17 1 1 A 15 15 HIS CA C 15 55.320 55.656 -0.336 1
1 178 . 17 1 1 A 15 15 HIS CB C 15 28.275 29.140 -0.865 1
1 181 . 17 1 1 A 15 15 HIS N N 15 116.777 115.512 1.265 1
1 182 . 17 1 1 A 16 16 LEU H H 16 7.271 7.496 -0.225 1
1 183 . 17 1 1 A 16 16 LEU HA H 16 3.812 3.847 -0.035 1
1 193 . 17 1 1 A 16 16 LEU C C 16 176.627 178.154 -1.527 1
1 194 . 17 1 1 A 16 16 LEU CA C 16 58.076 57.606 0.470 1
1 195 . 17 1 1 A 16 16 LEU CB C 16 42.531 41.205 1.326 1
1 199 . 17 1 1 A 16 16 LEU N N 16 122.531 122.435 0.096 1
1 200 . 17 1 1 A 17 17 ALA H H 17 8.243 7.231 1.012 1
1 201 . 17 1 1 A 17 17 ALA HA H 17 3.937 4.233 -0.296 1
1 205 . 17 1 1 A 17 17 ALA C C 17 177.131 177.108 0.023 1
1 206 . 17 1 1 A 17 17 ALA CA C 17 51.802 51.797 0.005 1
1 207 . 17 1 1 A 17 17 ALA CB C 17 18.473 20.091 -1.618 1
1 208 . 17 1 1 A 17 17 ALA N N 17 116.354 119.332 -2.978 1
1 209 . 17 1 1 A 18 18 ASP H H 18 7.488 7.474 0.014 1
1 210 . 17 1 1 A 18 18 ASP HA H 18 4.455 4.346 0.109 1
1 213 . 17 1 1 A 18 18 ASP C C 18 177.370 176.628 0.742 1
1 214 . 17 1 1 A 18 18 ASP CA C 18 54.571 54.675 -0.104 1
1 215 . 17 1 1 A 18 18 ASP CB C 18 40.521 42.240 -1.719 1
1 216 . 17 1 1 A 18 18 ASP N N 18 119.230 118.725 0.505 1
1 217 . 17 1 1 A 19 19 SER H H 19 8.793 8.751 0.042 1
1 218 . 17 1 1 A 19 19 SER HA H 19 4.424 4.499 -0.075 1
1 221 . 17 1 1 A 19 19 SER C C 19 174.779 175.145 -0.366 1
1 222 . 17 1 1 A 19 19 SER CA C 19 59.706 61.614 -1.908 1
1 223 . 17 1 1 A 19 19 SER CB C 19 63.351 63.625 -0.274 1
1 224 . 17 1 1 A 19 19 SER N N 19 119.892 119.978 -0.086 1
1 225 . 17 1 1 A 20 20 ASN H H 20 8.520 8.033 0.487 1
1 226 . 17 1 1 A 20 20 ASN HA H 20 4.869 4.959 -0.090 1
1 231 . 17 1 1 A 20 20 ASN C C 20 173.838 174.354 -0.516 1
1 232 . 17 1 1 A 20 20 ASN CA C 20 52.586 52.725 -0.139 1
1 233 . 17 1 1 A 20 20 ASN CB C 20 38.799 38.074 0.725 1
1 235 . 17 1 1 A 20 20 ASN N N 20 119.769 118.979 0.790 1
1 237 . 17 1 1 A 21 21 PHE H H 21 8.082 9.122 -1.040 1
1 238 . 17 1 1 A 21 21 PHE HA H 21 4.397 4.810 -0.413 1
1 246 . 17 1 1 A 21 21 PHE C C 21 173.520 174.007 -0.487 1
1 247 . 17 1 1 A 21 21 PHE CA C 21 58.672 58.472 0.200 1
1 248 . 17 1 1 A 21 21 PHE CB C 21 40.704 40.133 0.571 1
1 254 . 17 1 1 A 21 21 PHE N N 21 121.875 126.637 -4.762 1
1 255 . 17 1 1 A 22 22 ASP H H 22 7.570 8.421 -0.851 1
1 256 . 17 1 1 A 22 22 ASP HA H 22 4.563 4.640 -0.077 1
1 259 . 17 1 1 A 22 22 ASP C C 22 175.674 175.604 0.070 1
1 260 . 17 1 1 A 22 22 ASP CA C 22 52.049 52.087 -0.038 1
1 261 . 17 1 1 A 22 22 ASP CB C 22 43.023 41.561 1.462 1
1 262 . 17 1 1 A 22 22 ASP N N 22 126.780 127.189 -0.409 1
1 263 . 17 1 1 A 23 23 ILE H H 23 8.720 7.978 0.742 1
1 264 . 17 1 1 A 23 23 ILE HA H 23 3.555 3.490 0.065 1
1 274 . 17 1 1 A 23 23 ILE C C 23 176.441 177.387 -0.946 1
1 275 . 17 1 1 A 23 23 ILE CA C 23 63.650 63.299 0.351 1
1 276 . 17 1 1 A 23 23 ILE CB C 23 37.741 37.809 -0.068 1
1 280 . 17 1 1 A 23 23 ILE N N 23 124.815 126.313 -1.498 1
1 281 . 17 1 1 A 24 24 ALA H H 24 8.543 8.242 0.301 1
1 282 . 17 1 1 A 24 24 ALA HA H 24 3.917 4.030 -0.113 1
1 286 . 17 1 1 A 24 24 ALA C C 24 180.227 179.227 1.000 1
1 287 . 17 1 1 A 24 24 ALA CA C 24 55.413 55.279 0.134 1
1 288 . 17 1 1 A 24 24 ALA CB C 24 17.760 17.762 -0.002 1
1 289 . 17 1 1 A 24 24 ALA N N 24 123.943 124.041 -0.098 1
1 290 . 17 1 1 A 25 25 SER H H 25 7.844 7.738 0.106 1
1 291 . 17 1 1 A 25 25 SER HA H 25 4.246 4.000 0.246 1
1 293 . 17 1 1 A 25 25 SER C C 25 176.667 175.838 0.829 1
1 294 . 17 1 1 A 25 25 SER CA C 25 61.238 62.038 -0.800 1
1 295 . 17 1 1 A 25 25 SER CB C 25 62.402 62.862 -0.460 1
1 296 . 17 1 1 A 25 25 SER N N 25 114.143 113.365 0.778 1
1 297 . 17 1 1 A 26 26 VAL H H 26 7.086 7.511 -0.425 1
1 298 . 17 1 1 A 26 26 VAL HA H 26 3.198 3.570 -0.372 1
1 306 . 17 1 1 A 26 26 VAL C C 26 176.670 178.145 -1.475 1
1 307 . 17 1 1 A 26 26 VAL CA C 26 64.809 66.643 -1.834 1
1 308 . 17 1 1 A 26 26 VAL CB C 26 31.274 31.692 -0.418 1
1 311 . 17 1 1 A 26 26 VAL N N 26 122.369 121.750 0.619 1
1 312 . 17 1 1 A 27 27 ALA H H 27 8.043 7.770 0.273 1
1 313 . 17 1 1 A 27 27 ALA HA H 27 3.775 3.953 -0.178 1
1 317 . 17 1 1 A 27 27 ALA C C 27 178.948 179.324 -0.376 1
1 318 . 17 1 1 A 27 27 ALA CA C 27 55.507 55.616 -0.109 1
1 319 . 17 1 1 A 27 27 ALA CB C 27 17.412 17.933 -0.521 1
1 320 . 17 1 1 A 27 27 ALA N N 27 122.045 122.109 -0.064 1
1 321 . 17 1 1 A 28 28 GLN H H 28 8.089 8.136 -0.047 1
1 322 . 17 1 1 A 28 28 GLN HA H 28 4.053 4.030 0.023 1
1 329 . 17 1 1 A 28 28 GLN C C 28 179.289 178.408 0.881 1
1 330 . 17 1 1 A 28 28 GLN CA C 28 58.625 58.725 -0.100 1
1 331 . 17 1 1 A 28 28 GLN CB C 28 28.155 28.157 -0.002 1
1 334 . 17 1 1 A 28 28 GLN N N 28 116.168 118.365 -2.197 1
1 336 . 17 1 1 A 29 29 HIS H H 29 7.454 8.110 -0.656 1
1 337 . 17 1 1 A 29 29 HIS HA H 29 4.209 4.052 0.157 1
1 342 . 17 1 1 A 29 29 HIS C C 29 175.895 176.810 -0.915 1
1 343 . 17 1 1 A 29 29 HIS CA C 29 59.132 59.382 -0.250 1
1 344 . 17 1 1 A 29 29 HIS CB C 29 28.947 29.591 -0.644 1
1 347 . 17 1 1 A 29 29 HIS N N 29 118.117 119.926 -1.809 1
1 348 . 17 1 1 A 30 30 VAL H H 30 7.309 6.972 0.337 1
1 349 . 17 1 1 A 30 30 VAL HA H 30 4.441 4.075 0.366 1
1 357 . 17 1 1 A 30 30 VAL C C 30 173.598 175.676 -2.078 1
1 358 . 17 1 1 A 30 30 VAL CA C 30 59.948 60.466 -0.518 1
1 359 . 17 1 1 A 30 30 VAL CB C 30 31.067 30.890 0.177 1
1 362 . 17 1 1 A 30 30 VAL N N 30 106.791 109.319 -2.528 1
1 363 . 17 1 1 A 31 31 CYS H H 31 7.837 8.009 -0.172 1
1 364 . 17 1 1 A 31 31 CYS HA H 31 3.929 4.038 -0.109 1
1 367 . 17 1 1 A 31 31 CYS C C 31 173.679 173.206 0.473 1
1 368 . 17 1 1 A 31 31 CYS CA C 31 59.814 60.058 -0.244 1
1 369 . 17 1 1 A 31 31 CYS CB C 31 24.898 26.241 -1.343 1
1 370 . 17 1 1 A 31 31 CYS N N 31 116.363 119.936 -3.573 1
1 371 . 17 1 1 A 32 32 LEU H H 32 8.061 7.725 0.336 1
1 372 . 17 1 1 A 32 32 LEU HA H 32 4.871 4.808 0.063 1
1 382 . 17 1 1 A 32 32 LEU C C 32 176.243 175.950 0.293 1
1 383 . 17 1 1 A 32 32 LEU CA C 32 52.555 53.161 -0.606 1
1 384 . 17 1 1 A 32 32 LEU CB C 32 48.238 46.200 2.038 1
1 388 . 17 1 1 A 32 32 LEU N N 32 118.159 119.938 -1.779 1
1 389 . 17 1 1 A 33 33 SER H H 33 8.221 8.680 -0.459 1
1 390 . 17 1 1 A 33 33 SER N N 33 116.259 117.261 -1.002 1
1 391 . 17 1 1 A 34 34 PRO HA H 34 3.951 4.339 -0.388 1
1 398 . 17 1 1 A 34 34 PRO C C 34 178.473 177.970 0.503 1
1 399 . 17 1 1 A 34 34 PRO CA C 34 66.404 64.954 1.450 1
1 400 . 17 1 1 A 34 34 PRO CB C 34 31.712 31.996 -0.284 1
1 403 . 17 1 1 A 35 35 SER H H 35 8.343 8.240 0.103 1
1 404 . 17 1 1 A 35 35 SER HA H 35 4.192 4.255 -0.063 1
1 406 . 17 1 1 A 35 35 SER C C 35 177.361 177.562 -0.201 1
1 407 . 17 1 1 A 35 35 SER CA C 35 61.358 61.338 0.020 1
1 408 . 17 1 1 A 35 35 SER CB C 35 62.140 62.892 -0.752 1
1 409 . 17 1 1 A 35 35 SER N N 35 111.653 112.157 -0.504 1
1 410 . 17 1 1 A 36 36 ARG H H 36 7.868 7.806 0.062 1
1 411 . 17 1 1 A 36 36 ARG HA H 36 4.243 4.228 0.015 1
1 418 . 17 1 1 A 36 36 ARG C C 36 178.850 178.455 0.395 1
1 419 . 17 1 1 A 36 36 ARG CA C 36 58.714 58.450 0.264 1
1 420 . 17 1 1 A 36 36 ARG CB C 36 29.804 30.053 -0.249 1
1 423 . 17 1 1 A 36 36 ARG N N 36 124.303 122.397 1.906 1
1 424 . 17 1 1 A 37 37 LEU H H 37 8.593 8.191 0.402 1
1 425 . 17 1 1 A 37 37 LEU HA H 37 4.052 4.127 -0.075 1
1 435 . 17 1 1 A 37 37 LEU C C 37 177.894 178.585 -0.691 1
1 436 . 17 1 1 A 37 37 LEU CA C 37 58.289 58.072 0.217 1
1 437 . 17 1 1 A 37 37 LEU CB C 37 40.775 41.356 -0.581 1
1 441 . 17 1 1 A 37 37 LEU N N 37 119.319 121.445 -2.126 1
1 442 . 17 1 1 A 38 38 SER H H 38 8.478 8.180 0.298 1
1 443 . 17 1 1 A 38 38 SER HA H 38 4.066 4.237 -0.171 1
1 444 . 17 1 1 A 38 38 SER C C 38 176.577 176.821 -0.244 1
1 445 . 17 1 1 A 38 38 SER CA C 38 62.824 60.758 2.066 1
1 446 . 17 1 1 A 38 38 SER N N 38 113.612 115.152 -1.540 1
1 447 . 17 1 1 A 39 39 HIS H H 39 7.983 7.527 0.456 1
1 448 . 17 1 1 A 39 39 HIS HA H 39 4.403 4.276 0.127 1
1 453 . 17 1 1 A 39 39 HIS C C 39 177.138 176.852 0.286 1
1 454 . 17 1 1 A 39 39 HIS CA C 39 59.316 60.030 -0.714 1
1 455 . 17 1 1 A 39 39 HIS CB C 39 29.226 30.157 -0.931 1
1 458 . 17 1 1 A 39 39 HIS N N 39 119.938 121.448 -1.510 1
1 459 . 17 1 1 A 40 40 LEU H H 40 8.432 8.325 0.107 1
1 460 . 17 1 1 A 40 40 LEU HA H 40 4.045 4.013 0.032 1
1 470 . 17 1 1 A 40 40 LEU C C 40 178.876 178.934 -0.058 1
1 471 . 17 1 1 A 40 40 LEU CA C 40 57.990 57.856 0.134 1
1 472 . 17 1 1 A 40 40 LEU CB C 40 42.609 41.883 0.726 1
1 476 . 17 1 1 A 40 40 LEU N N 40 120.053 118.944 1.109 1
1 477 . 17 1 1 A 41 41 PHE H H 41 8.937 8.838 0.099 1
1 478 . 17 1 1 A 41 41 PHE HA H 41 3.736 3.937 -0.201 1
1 486 . 17 1 1 A 41 41 PHE C C 41 178.022 177.867 0.155 1
1 487 . 17 1 1 A 41 41 PHE CA C 41 62.523 61.083 1.440 1
1 488 . 17 1 1 A 41 41 PHE CB C 41 39.534 39.000 0.534 1
1 494 . 17 1 1 A 41 41 PHE N N 41 120.491 120.245 0.246 1
1 495 . 17 1 1 A 42 42 ARG H H 42 8.009 8.314 -0.305 1
1 496 . 17 1 1 A 42 42 ARG HA H 42 4.021 4.360 -0.339 1
1 502 . 17 1 1 A 42 42 ARG C C 42 179.850 178.572 1.278 1
1 503 . 17 1 1 A 42 42 ARG CA C 42 59.243 59.802 -0.559 1
1 504 . 17 1 1 A 42 42 ARG CB C 42 29.748 29.797 -0.049 1
1 507 . 17 1 1 A 42 42 ARG N N 42 117.688 118.253 -0.565 1
1 508 . 17 1 1 A 43 43 GLN H H 43 8.286 7.499 0.787 1
1 509 . 17 1 1 A 43 43 GLN HA H 43 4.006 4.091 -0.085 1
1 516 . 17 1 1 A 43 43 GLN C C 43 177.917 178.540 -0.623 1
1 517 . 17 1 1 A 43 43 GLN CA C 43 58.715 58.859 -0.144 1
1 518 . 17 1 1 A 43 43 GLN CB C 43 29.345 28.154 1.191 1
1 521 . 17 1 1 A 43 43 GLN N N 43 118.179 118.305 -0.126 1
1 523 . 17 1 1 A 44 44 GLN H H 44 8.296 8.271 0.025 1
1 524 . 17 1 1 A 44 44 GLN HA H 44 4.208 3.996 0.212 1
1 531 . 17 1 1 A 44 44 GLN C C 44 177.314 177.286 0.028 1
1 532 . 17 1 1 A 44 44 GLN CA C 44 57.913 58.339 -0.426 1
1 533 . 17 1 1 A 44 44 GLN CB C 44 29.027 28.452 0.575 1
1 536 . 17 1 1 A 44 44 GLN N N 44 114.928 118.496 -3.568 1
1 538 . 17 1 1 A 45 45 LEU H H 45 8.463 7.983 0.480 1
1 539 . 17 1 1 A 45 45 LEU HA H 45 4.567 4.331 0.236 1
1 549 . 17 1 1 A 45 45 LEU C C 45 178.381 177.542 0.839 1
1 550 . 17 1 1 A 45 45 LEU CA C 45 54.564 54.776 -0.212 1
1 551 . 17 1 1 A 45 45 LEU CB C 45 43.031 41.981 1.050 1
1 555 . 17 1 1 A 45 45 LEU N N 45 117.028 117.177 -0.149 1
1 556 . 17 1 1 A 46 46 GLY H H 46 7.852 9.388 -1.536 1
1 557 . 17 1 1 A 46 46 GLY HA2 H 46 4.005 3.876 0.129 1
1 558 . 17 1 1 A 46 46 GLY HA3 H 46 4.167 3.891 0.276 1
1 559 . 17 1 1 A 46 46 GLY C C 46 173.114 173.447 -0.333 1
1 560 . 17 1 1 A 46 46 GLY CA C 46 46.080 45.693 0.387 1
1 561 . 17 1 1 A 46 46 GLY N N 46 108.569 107.514 1.055 1
1 562 . 17 1 1 A 47 47 ILE H H 47 7.281 7.541 -0.260 1
1 563 . 17 1 1 A 47 47 ILE HA H 47 4.735 4.893 -0.158 1
1 573 . 17 1 1 A 47 47 ILE C C 47 172.231 174.741 -2.510 1
1 574 . 17 1 1 A 47 47 ILE CA C 47 59.240 58.897 0.343 1
1 575 . 17 1 1 A 47 47 ILE CB C 47 42.470 42.096 0.374 1
1 579 . 17 1 1 A 47 47 ILE N N 47 115.396 115.834 -0.438 1
1 580 . 17 1 1 A 48 48 SER H H 48 8.298 8.938 -0.640 1
1 581 . 17 1 1 A 48 48 SER HA H 48 4.725 4.735 -0.010 1
1 584 . 17 1 1 A 48 48 SER C C 48 174.600 175.425 -0.825 1
1 585 . 17 1 1 A 48 48 SER CA C 48 57.092 57.671 -0.579 1
1 586 . 17 1 1 A 48 48 SER CB C 48 65.286 64.560 0.726 1
1 587 . 17 1 1 A 48 48 SER N N 48 115.685 117.408 -1.723 1
1 588 . 17 1 1 A 49 49 VAL H H 49 8.296 8.635 -0.339 1
1 589 . 17 1 1 A 49 49 VAL HA H 49 3.081 4.016 -0.935 1
1 597 . 17 1 1 A 49 49 VAL C C 49 177.888 177.920 -0.032 1
1 598 . 17 1 1 A 49 49 VAL CA C 49 65.881 65.384 0.497 1
1 599 . 17 1 1 A 49 49 VAL CB C 49 31.149 31.640 -0.491 1
1 602 . 17 1 1 A 49 49 VAL N N 49 120.175 122.618 -2.443 1
1 603 . 17 1 1 A 50 50 LEU H H 50 8.138 8.144 -0.006 1
1 604 . 17 1 1 A 50 50 LEU HA H 50 4.011 4.053 -0.042 1
1 614 . 17 1 1 A 50 50 LEU C C 50 180.412 179.529 0.883 1
1 615 . 17 1 1 A 50 50 LEU CA C 50 57.962 58.092 -0.130 1
1 616 . 17 1 1 A 50 50 LEU CB C 50 41.224 41.170 0.054 1
1 620 . 17 1 1 A 50 50 LEU N N 50 116.998 121.562 -4.564 1
1 621 . 17 1 1 A 51 51 SER H H 51 8.087 7.927 0.160 1
1 622 . 17 1 1 A 51 51 SER HA H 51 4.279 4.292 -0.013 1
1 624 . 17 1 1 A 51 51 SER C C 51 176.081 176.742 -0.661 1
1 625 . 17 1 1 A 51 51 SER CA C 51 62.174 61.154 1.020 1
1 626 . 17 1 1 A 51 51 SER N N 51 117.207 113.564 3.643 1
1 627 . 17 1 1 A 52 52 TRP H H 52 8.913 8.554 0.359 1
1 628 . 17 1 1 A 52 52 TRP HA H 52 4.067 4.250 -0.183 1
1 637 . 17 1 1 A 52 52 TRP C C 52 178.579 178.063 0.516 1
1 638 . 17 1 1 A 52 52 TRP CA C 52 63.288 61.254 2.034 1
1 639 . 17 1 1 A 52 52 TRP CB C 52 29.159 30.059 -0.900 1
1 645 . 17 1 1 A 52 52 TRP N N 52 124.958 123.691 1.267 1
1 647 . 17 1 1 A 53 53 ARG H H 53 8.547 8.349 0.198 1
1 648 . 17 1 1 A 53 53 ARG HA H 53 3.578 3.686 -0.108 1
1 654 . 17 1 1 A 53 53 ARG C C 53 177.290 178.806 -1.516 1
1 655 . 17 1 1 A 53 53 ARG CA C 53 60.443 59.601 0.842 1
1 656 . 17 1 1 A 53 53 ARG CB C 53 30.001 29.747 0.254 1
1 659 . 17 1 1 A 53 53 ARG N N 53 118.356 118.803 -0.447 1
1 660 . 17 1 1 A 54 54 GLU H H 54 8.002 7.532 0.470 1
1 661 . 17 1 1 A 54 54 GLU HA H 54 4.016 4.156 -0.140 1
1 666 . 17 1 1 A 54 54 GLU C C 54 178.460 178.251 0.209 1
1 667 . 17 1 1 A 54 54 GLU CA C 54 59.982 59.557 0.425 1
1 668 . 17 1 1 A 54 54 GLU CB C 54 29.759 29.214 0.545 1
1 670 . 17 1 1 A 54 54 GLU N N 54 118.818 119.048 -0.230 1
1 671 . 17 1 1 A 55 55 ASP H H 55 8.111 8.390 -0.279 1
1 672 . 17 1 1 A 55 55 ASP HA H 55 4.289 4.310 -0.021 1
1 675 . 17 1 1 A 55 55 ASP C C 55 179.313 178.139 1.174 1
1 676 . 17 1 1 A 55 55 ASP CA C 55 57.131 57.726 -0.595 1
1 677 . 17 1 1 A 55 55 ASP CB C 55 40.227 42.285 -2.058 1
1 678 . 17 1 1 A 55 55 ASP N N 55 119.156 119.967 -0.811 1
1 679 . 17 1 1 A 56 56 GLN H H 56 8.099 7.456 0.643 1
1 680 . 17 1 1 A 56 56 GLN HA H 56 3.781 3.850 -0.069 1
1 687 . 17 1 1 A 56 56 GLN C C 56 178.700 178.340 0.360 1
1 688 . 17 1 1 A 56 56 GLN CA C 56 57.487 58.601 -1.114 1
1 689 . 17 1 1 A 56 56 GLN CB C 56 27.430 27.675 -0.245 1
1 692 . 17 1 1 A 56 56 GLN N N 56 119.807 117.689 2.118 1
1 694 . 17 1 1 A 57 57 ARG H H 57 8.240 7.537 0.703 1
1 695 . 17 1 1 A 57 57 ARG HA H 57 3.898 3.996 -0.098 1
1 702 . 17 1 1 A 57 57 ARG C C 57 178.185 178.505 -0.320 1
1 703 . 17 1 1 A 57 57 ARG CA C 57 60.671 59.117 1.554 1
1 704 . 17 1 1 A 57 57 ARG CB C 57 31.221 29.933 1.288 1
1 707 . 17 1 1 A 57 57 ARG N N 57 120.129 119.590 0.539 1
1 708 . 17 1 1 A 58 58 ILE H H 58 7.885 7.979 -0.094 1
1 709 . 17 1 1 A 58 58 ILE HA H 58 3.978 4.091 -0.113 1
1 719 . 17 1 1 A 58 58 ILE C C 58 178.357 178.126 0.231 1
1 720 . 17 1 1 A 58 58 ILE CA C 58 61.684 65.561 -3.877 1
1 721 . 17 1 1 A 58 58 ILE CB C 58 34.538 37.608 -3.070 1
1 725 . 17 1 1 A 58 58 ILE N N 58 118.096 121.403 -3.307 1
1 726 . 17 1 1 A 59 59 SER H H 59 8.563 7.990 0.573 1
1 727 . 17 1 1 A 59 59 SER HA H 59 4.010 4.161 -0.151 1
1 728 . 17 1 1 A 59 59 SER C C 59 177.731 177.200 0.531 1
1 729 . 17 1 1 A 59 59 SER CA C 59 62.459 61.436 1.023 1
1 730 . 17 1 1 A 59 59 SER N N 59 117.208 115.679 1.529 1
1 731 . 17 1 1 A 60 60 GLN H H 60 8.471 8.053 0.418 1
1 732 . 17 1 1 A 60 60 GLN HA H 60 4.228 4.039 0.189 1
1 739 . 17 1 1 A 60 60 GLN C C 60 177.958 177.511 0.447 1
1 740 . 17 1 1 A 60 60 GLN CA C 60 58.233 58.495 -0.262 1
1 741 . 17 1 1 A 60 60 GLN CB C 60 27.288 28.738 -1.450 1
1 744 . 17 1 1 A 60 60 GLN N N 60 121.780 120.503 1.277 1
1 746 . 17 1 1 A 61 61 ALA H H 61 8.504 8.420 0.084 1
1 747 . 17 1 1 A 61 61 ALA HA H 61 3.947 3.995 -0.048 1
1 751 . 17 1 1 A 61 61 ALA C C 61 179.360 179.875 -0.515 1
1 752 . 17 1 1 A 61 61 ALA CA C 61 55.413 55.001 0.412 1
1 753 . 17 1 1 A 61 61 ALA CB C 61 18.124 18.473 -0.349 1
1 754 . 17 1 1 A 61 61 ALA N N 61 122.352 122.422 -0.070 1
1 755 . 17 1 1 A 62 62 LYS H H 62 8.776 7.788 0.988 1
1 756 . 17 1 1 A 62 62 LYS HA H 62 3.722 4.169 -0.447 1
1 765 . 17 1 1 A 62 62 LYS C C 62 179.330 179.398 -0.068 1
1 766 . 17 1 1 A 62 62 LYS CA C 62 60.632 59.482 1.150 1
1 767 . 17 1 1 A 62 62 LYS CB C 62 32.580 32.660 -0.080 1
1 771 . 17 1 1 A 62 62 LYS N N 62 117.072 117.699 -0.627 1
1 772 . 17 1 1 A 63 63 LEU H H 63 7.670 7.945 -0.275 1
1 773 . 17 1 1 A 63 63 LEU HA H 63 4.233 4.040 0.193 1
1 783 . 17 1 1 A 63 63 LEU C C 63 180.902 178.312 2.590 1
1 784 . 17 1 1 A 63 63 LEU CA C 63 58.446 58.028 0.418 1
1 785 . 17 1 1 A 63 63 LEU CB C 63 41.598 41.668 -0.070 1
1 789 . 17 1 1 A 63 63 LEU N N 63 121.196 121.508 -0.312 1
1 790 . 17 1 1 A 64 64 LEU H H 64 8.585 7.871 0.714 1
1 791 . 17 1 1 A 64 64 LEU HA H 64 4.088 4.071 0.017 1
1 801 . 17 1 1 A 64 64 LEU C C 64 180.869 178.961 1.908 1
1 802 . 17 1 1 A 64 64 LEU CA C 64 57.782 57.711 0.071 1
1 803 . 17 1 1 A 64 64 LEU CB C 64 42.760 41.435 1.325 1
1 807 . 17 1 1 A 64 64 LEU N N 64 121.842 118.479 3.363 1
1 808 . 17 1 1 A 65 65 LEU H H 65 9.100 8.611 0.489 1
1 809 . 17 1 1 A 65 65 LEU HA H 65 4.346 4.121 0.225 1
1 819 . 17 1 1 A 65 65 LEU C C 65 178.659 178.494 0.165 1
1 820 . 17 1 1 A 65 65 LEU CA C 65 57.408 57.407 0.001 1
1 821 . 17 1 1 A 65 65 LEU CB C 65 43.013 41.123 1.890 1
1 825 . 17 1 1 A 65 65 LEU N N 65 119.872 118.989 0.883 1
1 826 . 17 1 1 A 66 66 SER H H 66 8.303 8.007 0.296 1
1 827 . 17 1 1 A 66 66 SER HA H 66 4.211 4.447 -0.236 1
1 829 . 17 1 1 A 66 66 SER C C 66 176.580 175.432 1.148 1
1 830 . 17 1 1 A 66 66 SER CA C 66 60.155 60.887 -0.732 1
1 831 . 17 1 1 A 66 66 SER CB C 66 65.198 63.671 1.527 1
1 832 . 17 1 1 A 66 66 SER N N 66 110.490 115.323 -4.833 1
1 833 . 17 1 1 A 67 67 THR H H 67 7.901 7.816 0.085 1
1 834 . 17 1 1 A 67 67 THR HA H 67 4.812 4.356 0.456 1
1 839 . 17 1 1 A 67 67 THR C C 67 174.240 174.352 -0.112 1
1 840 . 17 1 1 A 67 67 THR CA C 67 62.400 63.616 -1.216 1
1 841 . 17 1 1 A 67 67 THR CB C 67 71.512 69.612 1.900 1
1 843 . 17 1 1 A 67 67 THR N N 67 108.414 114.811 -6.397 1
1 844 . 17 1 1 A 68 68 THR H H 68 7.507 7.720 -0.213 1
1 845 . 17 1 1 A 68 68 THR HA H 68 5.096 4.809 0.287 1
1 850 . 17 1 1 A 68 68 THR C C 68 174.263 174.088 0.175 1
1 851 . 17 1 1 A 68 68 THR CA C 68 60.124 59.667 0.457 1
1 852 . 17 1 1 A 68 68 THR CB C 68 72.795 72.228 0.567 1
1 854 . 17 1 1 A 68 68 THR N N 68 111.673 110.638 1.035 1
1 855 . 17 1 1 A 69 69 ARG H H 69 8.767 8.345 0.422 1
1 856 . 17 1 1 A 69 69 ARG HA H 69 4.422 4.639 -0.217 1
1 863 . 17 1 1 A 69 69 ARG C C 69 176.568 176.632 -0.064 1
1 864 . 17 1 1 A 69 69 ARG CA C 69 53.692 55.113 -1.421 1
1 865 . 17 1 1 A 69 69 ARG CB C 69 28.814 30.550 -1.736 1
1 868 . 17 1 1 A 69 69 ARG N N 69 118.034 119.647 -1.613 1
1 869 . 17 1 1 A 70 70 MET H H 70 7.996 7.181 0.815 1
1 870 . 17 1 1 A 70 70 MET HA H 70 4.470 4.525 -0.055 1
1 878 . 17 1 1 A 70 70 MET CA C 70 55.386 55.271 0.115 1
1 879 . 17 1 1 A 70 70 MET CB C 70 34.080 32.409 1.671 1
1 882 . 17 1 1 A 70 70 MET N N 70 122.491 121.322 1.169 1
1 883 . 17 1 1 A 71 71 PRO HA H 71 4.574 4.520 0.054 1
1 890 . 17 1 1 A 71 71 PRO C C 71 177.204 177.149 0.055 1
1 891 . 17 1 1 A 71 71 PRO CA C 71 62.915 62.424 0.491 1
1 892 . 17 1 1 A 71 71 PRO CB C 71 32.380 32.955 -0.575 1
1 895 . 17 1 1 A 72 72 ILE H H 72 8.782 8.394 0.388 1
1 896 . 17 1 1 A 72 72 ILE HA H 72 3.407 3.795 -0.388 1
1 906 . 17 1 1 A 72 72 ILE C C 72 177.760 178.179 -0.419 1
1 907 . 17 1 1 A 72 72 ILE CA C 72 65.627 64.555 1.072 1
1 908 . 17 1 1 A 72 72 ILE CB C 72 36.771 37.670 -0.899 1
1 912 . 17 1 1 A 72 72 ILE N N 72 124.417 122.363 2.054 1
1 913 . 17 1 1 A 73 73 ALA H H 73 9.109 8.173 0.936 1
1 914 . 17 1 1 A 73 73 ALA HA H 73 3.974 4.057 -0.083 1
1 918 . 17 1 1 A 73 73 ALA C C 73 180.248 179.744 0.504 1
1 919 . 17 1 1 A 73 73 ALA CA C 73 55.232 55.249 -0.017 1
1 920 . 17 1 1 A 73 73 ALA CB C 73 18.338 18.234 0.104 1
1 921 . 17 1 1 A 73 73 ALA N N 73 119.077 123.798 -4.721 1
1 922 . 17 1 1 A 74 74 THR H H 74 7.112 8.039 -0.927 1
1 923 . 17 1 1 A 74 74 THR HA H 74 3.875 3.884 -0.009 1
1 928 . 17 1 1 A 74 74 THR C C 74 175.761 176.428 -0.667 1
1 929 . 17 1 1 A 74 74 THR CA C 74 65.841 66.930 -1.089 1
1 930 . 17 1 1 A 74 74 THR CB C 74 68.248 68.488 -0.240 1
1 932 . 17 1 1 A 74 74 THR N N 74 114.866 114.992 -0.126 1
1 933 . 17 1 1 A 75 75 VAL H H 75 8.087 7.988 0.099 1
1 934 . 17 1 1 A 75 75 VAL HA H 75 3.305 3.523 -0.218 1
1 942 . 17 1 1 A 75 75 VAL C C 75 177.048 178.015 -0.967 1
1 943 . 17 1 1 A 75 75 VAL CA C 75 67.681 66.483 1.198 1
1 944 . 17 1 1 A 75 75 VAL CB C 75 30.831 31.169 -0.338 1
1 947 . 17 1 1 A 75 75 VAL N N 75 123.901 121.453 2.448 1
1 948 . 17 1 1 A 76 76 GLY H H 76 7.673 8.098 -0.425 1
1 949 . 17 1 1 A 76 76 GLY HA2 H 76 2.235 3.550 -1.315 1
1 950 . 17 1 1 A 76 76 GLY HA3 H 76 3.003 3.798 -0.795 1
1 951 . 17 1 1 A 76 76 GLY C C 76 176.562 176.226 0.336 1
1 952 . 17 1 1 A 76 76 GLY CA C 76 46.293 46.916 -0.623 1
1 953 . 17 1 1 A 76 76 GLY N N 76 102.438 107.897 -5.459 1
1 954 . 17 1 1 A 77 77 ARG H H 77 7.760 7.723 0.037 1
1 955 . 17 1 1 A 77 77 ARG HA H 77 3.982 4.013 -0.031 1
1 962 . 17 1 1 A 77 77 ARG C C 77 180.332 179.174 1.158 1
1 963 . 17 1 1 A 77 77 ARG CA C 77 59.550 59.308 0.242 1
1 964 . 17 1 1 A 77 77 ARG CB C 77 30.085 29.664 0.421 1
1 967 . 17 1 1 A 77 77 ARG N N 77 122.228 122.126 0.102 1
1 968 . 17 1 1 A 78 78 ASN H H 78 8.230 7.779 0.451 1
1 969 . 17 1 1 A 78 78 ASN HA H 78 4.397 4.397 0.000 1
1 974 . 17 1 1 A 78 78 ASN C C 78 176.105 176.843 -0.738 1
1 975 . 17 1 1 A 78 78 ASN CA C 78 55.615 55.973 -0.358 1
1 976 . 17 1 1 A 78 78 ASN CB C 78 38.806 38.483 0.323 1
1 978 . 17 1 1 A 78 78 ASN N N 78 119.139 117.453 1.686 1
1 980 . 17 1 1 A 79 79 VAL H H 79 7.323 6.903 0.420 1
1 981 . 17 1 1 A 79 79 VAL HA H 79 4.438 4.130 0.308 1
1 989 . 17 1 1 A 79 79 VAL C C 79 174.220 175.262 -1.042 1
1 990 . 17 1 1 A 79 79 VAL CA C 79 59.911 60.773 -0.862 1
1 991 . 17 1 1 A 79 79 VAL CB C 79 31.400 31.069 0.331 1
1 994 . 17 1 1 A 79 79 VAL N N 79 108.664 111.262 -2.598 1
1 995 . 17 1 1 A 80 80 GLY H H 80 7.286 7.732 -0.446 1
1 996 . 17 1 1 A 80 80 GLY HA2 H 80 3.540 3.697 -0.157 1
1 997 . 17 1 1 A 80 80 GLY HA3 H 80 4.023 3.829 0.194 1
1 998 . 17 1 1 A 80 80 GLY C C 80 174.383 173.832 0.551 1
1 999 . 17 1 1 A 80 80 GLY CA C 80 45.739 45.945 -0.206 1
1 1000 . 17 1 1 A 80 80 GLY N N 80 104.635 109.887 -5.252 1
1 1001 . 17 1 1 A 81 81 PHE H H 81 8.535 7.842 0.693 1
1 1002 . 17 1 1 A 81 81 PHE HA H 81 4.845 4.683 0.162 1
1 1010 . 17 1 1 A 81 81 PHE C C 81 174.570 175.250 -0.680 1
1 1011 . 17 1 1 A 81 81 PHE CA C 81 56.375 56.764 -0.389 1
1 1012 . 17 1 1 A 81 81 PHE CB C 81 39.941 41.195 -1.254 1
1 1018 . 17 1 1 A 81 81 PHE N N 81 119.772 117.851 1.921 1
1 1019 . 17 1 1 A 82 82 ASP H H 82 8.564 8.616 -0.052 1
1 1020 . 17 1 1 A 82 82 ASP HA H 82 4.491 4.588 -0.097 1
1 1023 . 17 1 1 A 82 82 ASP C C 82 175.170 176.290 -1.120 1
1 1024 . 17 1 1 A 82 82 ASP CA C 82 55.195 56.345 -1.150 1
1 1025 . 17 1 1 A 82 82 ASP CB C 82 41.010 41.873 -0.863 1
1 1026 . 17 1 1 A 82 82 ASP N N 82 123.028 123.615 -0.587 1
1 1027 . 17 1 1 A 83 83 ASP H H 83 7.789 7.662 0.127 1
1 1028 . 17 1 1 A 83 83 ASP HA H 83 4.947 4.869 0.078 1
1 1031 . 17 1 1 A 83 83 ASP C C 83 176.347 177.153 -0.806 1
1 1032 . 17 1 1 A 83 83 ASP CA C 83 52.690 53.971 -1.281 1
1 1033 . 17 1 1 A 83 83 ASP CB C 83 43.152 41.550 1.602 1
1 1034 . 17 1 1 A 83 83 ASP N N 83 118.576 118.668 -0.092 1
1 1035 . 17 1 1 A 84 84 GLN H H 84 9.104 8.722 0.382 1
1 1036 . 17 1 1 A 84 84 GLN HA H 84 4.333 4.151 0.182 1
1 1043 . 17 1 1 A 84 84 GLN C C 84 177.986 178.041 -0.055 1
1 1044 . 17 1 1 A 84 84 GLN CA C 84 58.909 58.871 0.038 1
1 1045 . 17 1 1 A 84 84 GLN CB C 84 28.267 27.848 0.419 1
1 1048 . 17 1 1 A 84 84 GLN N N 84 126.543 124.401 2.142 1
1 1050 . 17 1 1 A 85 85 LEU H H 85 8.419 8.332 0.087 1
1 1051 . 17 1 1 A 85 85 LEU HA H 85 4.210 4.036 0.174 1
1 1061 . 17 1 1 A 85 85 LEU C C 85 179.472 178.880 0.592 1
1 1062 . 17 1 1 A 85 85 LEU CA C 85 57.958 57.822 0.136 1
1 1063 . 17 1 1 A 85 85 LEU CB C 85 40.678 41.260 -0.582 1
1 1067 . 17 1 1 A 85 85 LEU N N 85 123.486 121.676 1.810 1
1 1068 . 17 1 1 A 86 86 TYR H H 86 8.042 8.384 -0.342 1
1 1069 . 17 1 1 A 86 86 TYR HA H 86 4.288 3.992 0.296 1
1 1076 . 17 1 1 A 86 86 TYR C C 86 177.195 177.064 0.131 1
1 1077 . 17 1 1 A 86 86 TYR CA C 86 60.367 61.639 -1.272 1
1 1078 . 17 1 1 A 86 86 TYR CB C 86 38.184 38.241 -0.057 1
1 1083 . 17 1 1 A 86 86 TYR N N 86 122.679 120.036 2.643 1
1 1084 . 17 1 1 A 87 87 PHE H H 87 8.219 8.010 0.209 1
1 1085 . 17 1 1 A 87 87 PHE HA H 87 3.261 4.117 -0.856 1
1 1093 . 17 1 1 A 87 87 PHE C C 87 175.875 177.614 -1.739 1
1 1094 . 17 1 1 A 87 87 PHE CA C 87 58.536 61.857 -3.321 1
1 1095 . 17 1 1 A 87 87 PHE CB C 87 38.124 39.200 -1.076 1
1 1101 . 17 1 1 A 87 87 PHE N N 87 116.536 119.021 -2.485 1
1 1102 . 17 1 1 A 88 88 SER H H 88 8.082 8.027 0.055 1
1 1103 . 17 1 1 A 88 88 SER HA H 88 3.951 4.051 -0.100 1
1 1105 . 17 1 1 A 88 88 SER C C 88 175.926 176.542 -0.616 1
1 1106 . 17 1 1 A 88 88 SER CA C 88 62.398 61.542 0.856 1
1 1107 . 17 1 1 A 88 88 SER N N 88 112.937 115.796 -2.859 1
1 1108 . 17 1 1 A 89 89 ARG H H 89 7.843 7.939 -0.096 1
1 1109 . 17 1 1 A 89 89 ARG HA H 89 3.975 4.010 -0.035 1
1 1116 . 17 1 1 A 89 89 ARG C C 89 179.414 179.132 0.282 1
1 1117 . 17 1 1 A 89 89 ARG CA C 89 59.452 59.130 0.322 1
1 1118 . 17 1 1 A 89 89 ARG CB C 89 30.242 29.988 0.254 1
1 1121 . 17 1 1 A 89 89 ARG N N 89 121.621 122.033 -0.412 1
1 1122 . 17 1 1 A 90 90 VAL H H 90 8.235 7.685 0.550 1
1 1123 . 17 1 1 A 90 90 VAL HA H 90 3.530 3.598 -0.068 1
1 1131 . 17 1 1 A 90 90 VAL C C 90 177.752 177.661 0.091 1
1 1132 . 17 1 1 A 90 90 VAL CA C 90 66.208 64.821 1.387 1
1 1133 . 17 1 1 A 90 90 VAL CB C 90 31.649 31.340 0.309 1
1 1136 . 17 1 1 A 90 90 VAL N N 90 122.095 119.345 2.750 1
1 1137 . 17 1 1 A 91 91 PHE H H 91 8.763 8.508 0.255 1
1 1138 . 17 1 1 A 91 91 PHE HA H 91 3.584 3.872 -0.288 1
1 1141 . 17 1 1 A 91 91 PHE C C 91 178.386 177.236 1.150 1
1 1142 . 17 1 1 A 91 91 PHE CA C 91 62.523 60.730 1.793 1
1 1143 . 17 1 1 A 91 91 PHE CB C 91 39.528 38.483 1.045 1
1 1144 . 17 1 1 A 91 91 PHE N N 91 121.769 121.837 -0.068 1
1 1145 . 17 1 1 A 92 92 LYS H H 92 8.237 8.425 -0.188 1
1 1146 . 17 1 1 A 92 92 LYS HA H 92 4.217 4.325 -0.108 1
1 1153 . 17 1 1 A 92 92 LYS C C 92 179.621 179.045 0.576 1
1 1154 . 17 1 1 A 92 92 LYS CA C 92 58.597 60.113 -1.516 1
1 1155 . 17 1 1 A 92 92 LYS CB C 92 32.290 32.725 -0.435 1
1 1159 . 17 1 1 A 92 92 LYS N N 92 121.441 118.328 3.113 1
1 1160 . 17 1 1 A 93 93 LYS H H 93 8.013 7.517 0.496 1
1 1161 . 17 1 1 A 93 93 LYS HA H 93 3.956 3.998 -0.042 1
1 1169 . 17 1 1 A 93 93 LYS C C 93 178.611 178.838 -0.227 1
1 1170 . 17 1 1 A 93 93 LYS CA C 93 59.356 58.976 0.380 1
1 1171 . 17 1 1 A 93 93 LYS CB C 93 31.785 31.859 -0.074 1
1 1175 . 17 1 1 A 93 93 LYS N N 93 122.286 118.054 4.232 1
1 1176 . 17 1 1 A 94 94 CYS H H 94 7.818 7.622 0.196 1
1 1177 . 17 1 1 A 94 94 CYS HA H 94 4.224 3.869 0.355 1
1 1180 . 17 1 1 A 94 94 CYS C C 94 176.440 175.726 0.714 1
1 1181 . 17 1 1 A 94 94 CYS CA C 94 62.517 62.390 0.127 1
1 1182 . 17 1 1 A 94 94 CYS CB C 94 28.104 26.182 1.922 1
1 1183 . 17 1 1 A 94 94 CYS N N 94 113.581 118.730 -5.149 1
1 1184 . 17 1 1 A 95 95 THR H H 95 8.038 7.054 0.984 1
1 1185 . 17 1 1 A 95 95 THR HA H 95 4.397 4.362 0.035 1
1 1190 . 17 1 1 A 95 95 THR C C 95 176.237 175.600 0.637 1
1 1191 . 17 1 1 A 95 95 THR CA C 95 62.507 61.734 0.773 1
1 1192 . 17 1 1 A 95 95 THR CB C 95 71.481 70.565 0.916 1
1 1194 . 17 1 1 A 95 95 THR N N 95 106.903 108.289 -1.386 1
1 1195 . 17 1 1 A 96 96 GLY H H 96 8.526 8.661 -0.135 1
1 1196 . 17 1 1 A 96 96 GLY HA2 H 96 3.724 3.848 -0.124 1
1 1197 . 17 1 1 A 96 96 GLY HA3 H 96 4.374 3.854 0.520 1
1 1198 . 17 1 1 A 96 96 GLY C C 96 172.550 173.354 -0.804 1
1 1199 . 17 1 1 A 96 96 GLY CA C 96 45.264 45.236 0.028 1
1 1200 . 17 1 1 A 96 96 GLY N N 96 112.762 111.386 1.376 1
1 1201 . 17 1 1 A 97 97 ALA H H 97 8.560 7.111 1.449 1
1 1202 . 17 1 1 A 97 97 ALA HA H 97 4.841 4.825 0.016 1
1 1206 . 17 1 1 A 97 97 ALA C C 97 175.280 176.427 -1.147 1
1 1207 . 17 1 1 A 97 97 ALA CA C 97 50.176 51.039 -0.863 1
1 1208 . 17 1 1 A 97 97 ALA CB C 97 22.551 22.851 -0.300 1
1 1209 . 17 1 1 A 97 97 ALA N N 97 125.656 120.895 4.761 1
1 1210 . 17 1 1 A 98 98 SER H H 98 8.817 8.675 0.142 1
1 1211 . 17 1 1 A 98 98 SER HA H 98 4.656 4.770 -0.114 1
1 1212 . 17 1 1 A 98 98 SER CA C 98 56.612 56.812 -0.200 1
1 1213 . 17 1 1 A 98 98 SER N N 98 114.919 113.864 1.055 1
1 1214 . 17 1 1 A 99 99 PRO HA H 99 3.500 4.510 -1.010 1
1 1220 . 17 1 1 A 99 99 PRO C C 99 177.585 177.943 -0.358 1
1 1221 . 17 1 1 A 99 99 PRO CA C 99 66.202 64.420 1.782 1
1 1222 . 17 1 1 A 99 99 PRO CB C 99 32.030 31.793 0.237 1
1 1225 . 17 1 1 A 100 100 SER H H 100 8.254 8.252 0.002 1
1 1226 . 17 1 1 A 100 100 SER HA H 100 4.029 4.260 -0.231 1
1 1227 . 17 1 1 A 100 100 SER C C 100 177.441 176.863 0.578 1
1 1228 . 17 1 1 A 100 100 SER CA C 100 61.891 61.029 0.862 1
1 1229 . 17 1 1 A 100 100 SER N N 100 111.230 112.402 -1.172 1
1 1230 . 17 1 1 A 101 101 GLU H H 101 7.848 7.974 -0.126 1
1 1231 . 17 1 1 A 101 101 GLU HA H 101 4.021 4.054 -0.033 1
1 1236 . 17 1 1 A 101 101 GLU C C 101 179.288 178.794 0.494 1
1 1237 . 17 1 1 A 101 101 GLU CA C 101 58.822 59.439 -0.617 1
1 1238 . 17 1 1 A 101 101 GLU CB C 101 29.846 29.435 0.411 1
1 1240 . 17 1 1 A 101 101 GLU N N 101 125.150 122.703 2.447 1
1 1241 . 17 1 1 A 102 102 PHE H H 102 8.923 7.999 0.924 1
1 1242 . 17 1 1 A 102 102 PHE HA H 102 4.155 4.151 0.004 1
1 1245 . 17 1 1 A 102 102 PHE C C 102 178.343 177.936 0.407 1
1 1246 . 17 1 1 A 102 102 PHE CA C 102 61.315 61.590 -0.275 1
1 1247 . 17 1 1 A 102 102 PHE CB C 102 40.083 39.348 0.735 1
1 1248 . 17 1 1 A 102 102 PHE N N 102 121.281 120.744 0.537 1
1 1249 . 17 1 1 A 103 103 ARG H H 103 8.210 8.085 0.125 1
1 1250 . 17 1 1 A 103 103 ARG HA H 103 3.830 3.891 -0.061 1
1 1257 . 17 1 1 A 103 103 ARG C C 103 177.602 178.975 -1.373 1
1 1258 . 17 1 1 A 103 103 ARG CA C 103 59.235 59.737 -0.502 1
1 1261 . 17 1 1 A 103 103 ARG N N 103 119.223 118.332 0.891 1
1 1262 . 17 1 1 A 104 104 ALA H H 104 7.905 7.236 0.669 1
1 1263 . 17 1 1 A 104 104 ALA HA H 104 4.186 4.208 -0.022 1
1 1267 . 17 1 1 A 104 104 ALA C C 104 179.126 178.044 1.082 1
1 1268 . 17 1 1 A 104 104 ALA CA C 104 54.188 52.790 1.398 1
1 1269 . 17 1 1 A 104 104 ALA CB C 104 18.254 19.558 -1.304 1
1 1270 . 17 1 1 A 104 104 ALA N N 104 120.546 118.853 1.693 1
1 1271 . 17 1 1 A 105 105 GLY H H 105 7.676 7.811 -0.135 1
1 1272 . 17 1 1 A 105 105 GLY HA2 H 105 3.849 3.842 0.007 1
1 1273 . 17 1 1 A 105 105 GLY HA3 H 105 4.052 3.882 0.170 1
1 1274 . 17 1 1 A 105 105 GLY C C 105 174.515 174.384 0.131 1
1 1275 . 17 1 1 A 105 105 GLY CA C 105 45.317 45.482 -0.165 1
1 1276 . 17 1 1 A 105 105 GLY N N 105 104.677 106.827 -2.150 1
1 1277 . 17 1 1 A 106 106 CYS H H 106 7.599 7.966 -0.367 1
1 1278 . 17 1 1 A 106 106 CYS HA H 106 4.447 4.479 -0.032 1
1 1281 . 17 1 1 A 106 106 CYS C C 106 173.823 175.065 -1.242 1
1 1282 . 17 1 1 A 106 106 CYS CA C 106 59.123 59.640 -0.517 1
1 1283 . 17 1 1 A 106 106 CYS CB C 106 28.004 28.253 -0.249 1
1 1284 . 17 1 1 A 106 106 CYS N N 106 118.321 119.908 -1.587 1
1 14 . 18 1 1 A 2 2 ASP H H 2 8.989 8.624 0.365 1
1 15 . 18 1 1 A 2 2 ASP HA H 2 4.662 4.651 0.011 1
1 18 . 18 1 1 A 2 2 ASP C C 2 177.024 176.947 0.077 1
1 19 . 18 1 1 A 2 2 ASP CA C 2 54.092 54.403 -0.311 1
1 20 . 18 1 1 A 2 2 ASP CB C 2 42.743 42.928 -0.185 1
1 21 . 18 1 1 A 2 2 ASP N N 2 126.287 126.254 0.033 1
1 22 . 18 1 1 A 3 3 ASN H H 3 9.165 9.013 0.152 1
1 23 . 18 1 1 A 3 3 ASN HA H 3 4.446 4.429 0.017 1
1 28 . 18 1 1 A 3 3 ASN C C 3 177.306 177.549 -0.243 1
1 29 . 18 1 1 A 3 3 ASN CA C 3 56.355 56.191 0.164 1
1 30 . 18 1 1 A 3 3 ASN CB C 3 38.382 37.460 0.922 1
1 32 . 18 1 1 A 3 3 ASN N N 3 124.055 123.108 0.947 1
1 34 . 18 1 1 A 4 4 ARG H H 4 9.092 8.159 0.933 1
1 35 . 18 1 1 A 4 4 ARG HA H 4 4.183 4.027 0.156 1
1 42 . 18 1 1 A 4 4 ARG C C 4 178.824 178.688 0.136 1
1 43 . 18 1 1 A 4 4 ARG CA C 4 59.401 59.279 0.122 1
1 44 . 18 1 1 A 4 4 ARG CB C 4 29.437 29.649 -0.212 1
1 47 . 18 1 1 A 4 4 ARG N N 4 119.970 119.653 0.317 1
1 48 . 18 1 1 A 5 5 VAL H H 5 7.588 7.971 -0.383 1
1 49 . 18 1 1 A 5 5 VAL HA H 5 3.458 3.587 -0.129 1
1 57 . 18 1 1 A 5 5 VAL C C 5 177.573 177.688 -0.115 1
1 58 . 18 1 1 A 5 5 VAL CA C 5 66.543 66.655 -0.112 1
1 59 . 18 1 1 A 5 5 VAL CB C 5 31.294 31.190 0.104 1
1 62 . 18 1 1 A 5 5 VAL N N 5 119.312 119.252 0.060 1
1 63 . 18 1 1 A 6 6 ARG H H 6 7.920 8.662 -0.742 1
1 64 . 18 1 1 A 6 6 ARG HA H 6 3.860 3.833 0.027 1
1 71 . 18 1 1 A 6 6 ARG C C 6 179.380 178.618 0.762 1
1 72 . 18 1 1 A 6 6 ARG CA C 6 60.197 59.990 0.207 1
1 73 . 18 1 1 A 6 6 ARG CB C 6 29.818 29.995 -0.177 1
1 76 . 18 1 1 A 6 6 ARG N N 6 120.863 119.782 1.081 1
1 77 . 18 1 1 A 7 7 GLU H H 7 8.262 7.793 0.469 1
1 78 . 18 1 1 A 7 7 GLU HA H 7 4.241 4.162 0.079 1
1 83 . 18 1 1 A 7 7 GLU C C 7 179.131 179.178 -0.047 1
1 84 . 18 1 1 A 7 7 GLU CA C 7 58.770 59.156 -0.386 1
1 85 . 18 1 1 A 7 7 GLU CB C 7 28.883 28.757 0.126 1
1 87 . 18 1 1 A 7 7 GLU N N 7 119.166 119.886 -0.720 1
1 88 . 18 1 1 A 8 8 ALA H H 8 8.421 7.918 0.503 1
1 89 . 18 1 1 A 8 8 ALA HA H 8 4.046 4.405 -0.359 1
1 93 . 18 1 1 A 8 8 ALA C C 8 179.202 179.945 -0.743 1
1 94 . 18 1 1 A 8 8 ALA CA C 8 55.610 55.257 0.353 1
1 95 . 18 1 1 A 8 8 ALA CB C 8 18.512 18.520 -0.008 1
1 96 . 18 1 1 A 8 8 ALA N N 8 123.947 122.636 1.311 1
1 97 . 18 1 1 A 9 9 CYS H H 9 8.490 8.607 -0.117 1
1 98 . 18 1 1 A 9 9 CYS HA H 9 3.767 4.214 -0.447 1
1 101 . 18 1 1 A 9 9 CYS C C 9 176.858 177.039 -0.181 1
1 102 . 18 1 1 A 9 9 CYS CA C 9 64.480 61.234 3.246 1
1 103 . 18 1 1 A 9 9 CYS CB C 9 26.690 27.001 -0.311 1
1 104 . 18 1 1 A 9 9 CYS N N 9 116.232 115.863 0.369 1
1 105 . 18 1 1 A 10 10 GLN H H 10 8.088 8.214 -0.126 1
1 106 . 18 1 1 A 10 10 GLN HA H 10 4.022 4.225 -0.203 1
1 113 . 18 1 1 A 10 10 GLN C C 10 177.140 178.221 -1.081 1
1 114 . 18 1 1 A 10 10 GLN CA C 10 58.804 58.746 0.058 1
1 115 . 18 1 1 A 10 10 GLN CB C 10 28.299 28.674 -0.375 1
1 118 . 18 1 1 A 10 10 GLN N N 10 120.817 121.663 -0.846 1
1 120 . 18 1 1 A 11 11 TYR H H 11 8.367 7.946 0.421 1
1 121 . 18 1 1 A 11 11 TYR HA H 11 4.308 4.252 0.056 1
1 128 . 18 1 1 A 11 11 TYR C C 11 178.986 177.145 1.841 1
1 129 . 18 1 1 A 11 11 TYR CA C 11 61.850 61.585 0.265 1
1 130 . 18 1 1 A 11 11 TYR CB C 11 38.653 38.596 0.057 1
1 135 . 18 1 1 A 11 11 TYR N N 11 120.419 121.091 -0.672 1
1 136 . 18 1 1 A 12 12 ILE H H 12 8.886 8.225 0.661 1
1 137 . 18 1 1 A 12 12 ILE HA H 12 3.700 3.293 0.407 1
1 147 . 18 1 1 A 12 12 ILE C C 12 179.352 177.915 1.437 1
1 148 . 18 1 1 A 12 12 ILE CA C 12 65.621 65.119 0.502 1
1 149 . 18 1 1 A 12 12 ILE CB C 12 38.203 38.012 0.191 1
1 153 . 18 1 1 A 12 12 ILE N N 12 119.720 121.437 -1.717 1
1 154 . 18 1 1 A 13 13 SER H H 13 8.740 8.276 0.464 1
1 155 . 18 1 1 A 13 13 SER HA H 13 4.753 4.106 0.647 1
1 158 . 18 1 1 A 13 13 SER C C 13 176.355 177.076 -0.721 1
1 159 . 18 1 1 A 13 13 SER CA C 13 62.551 61.783 0.768 1
1 160 . 18 1 1 A 13 13 SER CB C 13 62.468 62.949 -0.481 1
1 161 . 18 1 1 A 13 13 SER N N 13 116.217 116.895 -0.678 1
1 162 . 18 1 1 A 14 14 ASP H H 14 8.426 8.015 0.411 1
1 163 . 18 1 1 A 14 14 ASP HA H 14 4.438 4.341 0.097 1
1 166 . 18 1 1 A 14 14 ASP C C 14 176.838 177.816 -0.978 1
1 167 . 18 1 1 A 14 14 ASP CA C 14 55.988 57.074 -1.086 1
1 168 . 18 1 1 A 14 14 ASP CB C 14 40.500 41.428 -0.928 1
1 169 . 18 1 1 A 14 14 ASP N N 14 121.201 121.503 -0.302 1
1 170 . 18 1 1 A 15 15 HIS H H 15 7.530 7.466 0.064 1
1 171 . 18 1 1 A 15 15 HIS HA H 15 4.661 4.659 0.002 1
1 176 . 18 1 1 A 15 15 HIS C C 15 175.451 175.569 -0.118 1
1 177 . 18 1 1 A 15 15 HIS CA C 15 55.320 55.602 -0.282 1
1 178 . 18 1 1 A 15 15 HIS CB C 15 28.275 29.143 -0.868 1
1 181 . 18 1 1 A 15 15 HIS N N 15 116.777 114.932 1.845 1
1 182 . 18 1 1 A 16 16 LEU H H 16 7.271 7.641 -0.370 1
1 183 . 18 1 1 A 16 16 LEU HA H 16 3.812 3.851 -0.039 1
1 193 . 18 1 1 A 16 16 LEU C C 16 176.627 178.398 -1.771 1
1 194 . 18 1 1 A 16 16 LEU CA C 16 58.076 57.683 0.393 1
1 195 . 18 1 1 A 16 16 LEU CB C 16 42.531 41.428 1.103 1
1 199 . 18 1 1 A 16 16 LEU N N 16 122.531 122.480 0.051 1
1 200 . 18 1 1 A 17 17 ALA H H 17 8.243 7.202 1.041 1
1 201 . 18 1 1 A 17 17 ALA HA H 17 3.937 4.300 -0.363 1
1 205 . 18 1 1 A 17 17 ALA C C 17 177.131 177.077 0.054 1
1 206 . 18 1 1 A 17 17 ALA CA C 17 51.802 52.154 -0.352 1
1 207 . 18 1 1 A 17 17 ALA CB C 17 18.473 19.784 -1.311 1
1 208 . 18 1 1 A 17 17 ALA N N 17 116.354 119.509 -3.155 1
1 209 . 18 1 1 A 18 18 ASP H H 18 7.488 7.610 -0.122 1
1 210 . 18 1 1 A 18 18 ASP HA H 18 4.455 4.508 -0.053 1
1 213 . 18 1 1 A 18 18 ASP C C 18 177.370 175.846 1.524 1
1 214 . 18 1 1 A 18 18 ASP CA C 18 54.571 54.337 0.234 1
1 215 . 18 1 1 A 18 18 ASP CB C 18 40.521 42.449 -1.928 1
1 216 . 18 1 1 A 18 18 ASP N N 18 119.230 118.817 0.413 1
1 217 . 18 1 1 A 19 19 SER H H 19 8.793 8.741 0.052 1
1 218 . 18 1 1 A 19 19 SER HA H 19 4.424 4.634 -0.210 1
1 221 . 18 1 1 A 19 19 SER C C 19 174.779 174.856 -0.077 1
1 222 . 18 1 1 A 19 19 SER CA C 19 59.706 60.529 -0.823 1
1 223 . 18 1 1 A 19 19 SER CB C 19 63.351 64.149 -0.798 1
1 224 . 18 1 1 A 19 19 SER N N 19 119.892 117.683 2.209 1
1 225 . 18 1 1 A 20 20 ASN H H 20 8.520 7.710 0.810 1
1 226 . 18 1 1 A 20 20 ASN HA H 20 4.869 4.934 -0.065 1
1 231 . 18 1 1 A 20 20 ASN C C 20 173.838 174.551 -0.713 1
1 232 . 18 1 1 A 20 20 ASN CA C 20 52.586 53.463 -0.877 1
1 233 . 18 1 1 A 20 20 ASN CB C 20 38.799 38.663 0.136 1
1 235 . 18 1 1 A 20 20 ASN N N 20 119.769 118.961 0.808 1
1 237 . 18 1 1 A 21 21 PHE H H 21 8.082 8.971 -0.889 1
1 238 . 18 1 1 A 21 21 PHE HA H 21 4.397 5.263 -0.866 1
1 246 . 18 1 1 A 21 21 PHE C C 21 173.520 173.345 0.175 1
1 247 . 18 1 1 A 21 21 PHE CA C 21 58.672 56.350 2.322 1
1 248 . 18 1 1 A 21 21 PHE CB C 21 40.704 42.304 -1.600 1
1 254 . 18 1 1 A 21 21 PHE N N 21 121.875 126.032 -4.157 1
1 255 . 18 1 1 A 22 22 ASP H H 22 7.570 8.533 -0.963 1
1 256 . 18 1 1 A 22 22 ASP HA H 22 4.563 4.700 -0.137 1
1 259 . 18 1 1 A 22 22 ASP C C 22 175.674 175.772 -0.098 1
1 260 . 18 1 1 A 22 22 ASP CA C 22 52.049 52.270 -0.221 1
1 261 . 18 1 1 A 22 22 ASP CB C 22 43.023 41.734 1.289 1
1 262 . 18 1 1 A 22 22 ASP N N 22 126.780 127.707 -0.927 1
1 263 . 18 1 1 A 23 23 ILE H H 23 8.720 8.176 0.544 1
1 264 . 18 1 1 A 23 23 ILE HA H 23 3.555 3.513 0.042 1
1 274 . 18 1 1 A 23 23 ILE C C 23 176.441 177.317 -0.876 1
1 275 . 18 1 1 A 23 23 ILE CA C 23 63.650 63.544 0.106 1
1 276 . 18 1 1 A 23 23 ILE CB C 23 37.741 37.785 -0.044 1
1 280 . 18 1 1 A 23 23 ILE N N 23 124.815 126.576 -1.761 1
1 281 . 18 1 1 A 24 24 ALA H H 24 8.543 8.295 0.248 1
1 282 . 18 1 1 A 24 24 ALA HA H 24 3.917 4.066 -0.149 1
1 286 . 18 1 1 A 24 24 ALA C C 24 180.227 179.387 0.840 1
1 287 . 18 1 1 A 24 24 ALA CA C 24 55.413 55.322 0.091 1
1 288 . 18 1 1 A 24 24 ALA CB C 24 17.760 17.757 0.003 1
1 289 . 18 1 1 A 24 24 ALA N N 24 123.943 123.999 -0.056 1
1 290 . 18 1 1 A 25 25 SER H H 25 7.844 7.797 0.047 1
1 291 . 18 1 1 A 25 25 SER HA H 25 4.246 4.096 0.150 1
1 293 . 18 1 1 A 25 25 SER C C 25 176.667 176.210 0.457 1
1 294 . 18 1 1 A 25 25 SER CA C 25 61.238 62.032 -0.794 1
1 295 . 18 1 1 A 25 25 SER CB C 25 62.402 62.968 -0.566 1
1 296 . 18 1 1 A 25 25 SER N N 25 114.143 113.405 0.738 1
1 297 . 18 1 1 A 26 26 VAL H H 26 7.086 7.525 -0.439 1
1 298 . 18 1 1 A 26 26 VAL HA H 26 3.198 3.752 -0.554 1
1 306 . 18 1 1 A 26 26 VAL C C 26 176.670 178.172 -1.502 1
1 307 . 18 1 1 A 26 26 VAL CA C 26 64.809 66.778 -1.969 1
1 308 . 18 1 1 A 26 26 VAL CB C 26 31.274 31.741 -0.467 1
1 311 . 18 1 1 A 26 26 VAL N N 26 122.369 122.114 0.255 1
1 312 . 18 1 1 A 27 27 ALA H H 27 8.043 7.889 0.154 1
1 313 . 18 1 1 A 27 27 ALA HA H 27 3.775 3.976 -0.201 1
1 317 . 18 1 1 A 27 27 ALA C C 27 178.948 179.317 -0.369 1
1 318 . 18 1 1 A 27 27 ALA CA C 27 55.507 55.641 -0.134 1
1 319 . 18 1 1 A 27 27 ALA CB C 27 17.412 17.744 -0.332 1
1 320 . 18 1 1 A 27 27 ALA N N 27 122.045 122.148 -0.103 1
1 321 . 18 1 1 A 28 28 GLN H H 28 8.089 8.192 -0.103 1
1 322 . 18 1 1 A 28 28 GLN HA H 28 4.053 4.064 -0.011 1
1 329 . 18 1 1 A 28 28 GLN C C 28 179.289 178.461 0.828 1
1 330 . 18 1 1 A 28 28 GLN CA C 28 58.625 58.772 -0.147 1
1 331 . 18 1 1 A 28 28 GLN CB C 28 28.155 28.257 -0.102 1
1 334 . 18 1 1 A 28 28 GLN N N 28 116.168 118.374 -2.206 1
1 336 . 18 1 1 A 29 29 HIS H H 29 7.454 8.081 -0.627 1
1 337 . 18 1 1 A 29 29 HIS HA H 29 4.209 4.106 0.103 1
1 342 . 18 1 1 A 29 29 HIS C C 29 175.895 176.969 -1.074 1
1 343 . 18 1 1 A 29 29 HIS CA C 29 59.132 59.405 -0.273 1
1 344 . 18 1 1 A 29 29 HIS CB C 29 28.947 29.700 -0.753 1
1 347 . 18 1 1 A 29 29 HIS N N 29 118.117 120.130 -2.013 1
1 348 . 18 1 1 A 30 30 VAL H H 30 7.309 6.879 0.430 1
1 349 . 18 1 1 A 30 30 VAL HA H 30 4.441 4.078 0.363 1
1 357 . 18 1 1 A 30 30 VAL C C 30 173.598 175.787 -2.189 1
1 358 . 18 1 1 A 30 30 VAL CA C 30 59.948 60.629 -0.681 1
1 359 . 18 1 1 A 30 30 VAL CB C 30 31.067 31.066 0.001 1
1 362 . 18 1 1 A 30 30 VAL N N 30 106.791 109.766 -2.975 1
1 363 . 18 1 1 A 31 31 CYS H H 31 7.837 8.085 -0.248 1
1 364 . 18 1 1 A 31 31 CYS HA H 31 3.929 4.047 -0.118 1
1 367 . 18 1 1 A 31 31 CYS C C 31 173.679 173.643 0.036 1
1 368 . 18 1 1 A 31 31 CYS CA C 31 59.814 60.019 -0.205 1
1 369 . 18 1 1 A 31 31 CYS CB C 31 24.898 26.305 -1.407 1
1 370 . 18 1 1 A 31 31 CYS N N 31 116.363 120.258 -3.895 1
1 371 . 18 1 1 A 32 32 LEU H H 32 8.061 7.873 0.188 1
1 372 . 18 1 1 A 32 32 LEU HA H 32 4.871 4.802 0.069 1
1 382 . 18 1 1 A 32 32 LEU C C 32 176.243 175.186 1.057 1
1 383 . 18 1 1 A 32 32 LEU CA C 32 52.555 53.446 -0.891 1
1 384 . 18 1 1 A 32 32 LEU CB C 32 48.238 45.903 2.335 1
1 388 . 18 1 1 A 32 32 LEU N N 32 118.159 120.386 -2.227 1
1 389 . 18 1 1 A 33 33 SER H H 33 8.221 8.680 -0.459 1
1 390 . 18 1 1 A 33 33 SER N N 33 116.259 118.999 -2.740 1
1 391 . 18 1 1 A 34 34 PRO HA H 34 3.951 4.380 -0.429 1
1 398 . 18 1 1 A 34 34 PRO C C 34 178.473 177.941 0.532 1
1 399 . 18 1 1 A 34 34 PRO CA C 34 66.404 64.863 1.541 1
1 400 . 18 1 1 A 34 34 PRO CB C 34 31.712 32.042 -0.330 1
1 403 . 18 1 1 A 35 35 SER H H 35 8.343 8.251 0.092 1
1 404 . 18 1 1 A 35 35 SER HA H 35 4.192 4.257 -0.065 1
1 406 . 18 1 1 A 35 35 SER C C 35 177.361 177.382 -0.021 1
1 407 . 18 1 1 A 35 35 SER CA C 35 61.358 61.401 -0.043 1
1 408 . 18 1 1 A 35 35 SER CB C 35 62.140 62.934 -0.794 1
1 409 . 18 1 1 A 35 35 SER N N 35 111.653 112.372 -0.719 1
1 410 . 18 1 1 A 36 36 ARG H H 36 7.868 7.860 0.008 1
1 411 . 18 1 1 A 36 36 ARG HA H 36 4.243 4.153 0.090 1
1 418 . 18 1 1 A 36 36 ARG C C 36 178.850 178.807 0.043 1
1 419 . 18 1 1 A 36 36 ARG CA C 36 58.714 59.053 -0.339 1
1 420 . 18 1 1 A 36 36 ARG CB C 36 29.804 30.704 -0.900 1
1 423 . 18 1 1 A 36 36 ARG N N 36 124.303 121.729 2.574 1
1 424 . 18 1 1 A 37 37 LEU H H 37 8.593 8.252 0.341 1
1 425 . 18 1 1 A 37 37 LEU HA H 37 4.052 4.151 -0.099 1
1 435 . 18 1 1 A 37 37 LEU C C 37 177.894 178.666 -0.772 1
1 436 . 18 1 1 A 37 37 LEU CA C 37 58.289 58.057 0.232 1
1 437 . 18 1 1 A 37 37 LEU CB C 37 40.775 41.415 -0.640 1
1 441 . 18 1 1 A 37 37 LEU N N 37 119.319 122.317 -2.998 1
1 442 . 18 1 1 A 38 38 SER H H 38 8.478 8.214 0.264 1
1 443 . 18 1 1 A 38 38 SER HA H 38 4.066 4.285 -0.219 1
1 444 . 18 1 1 A 38 38 SER C C 38 176.577 176.723 -0.146 1
1 445 . 18 1 1 A 38 38 SER CA C 38 62.824 60.450 2.374 1
1 446 . 18 1 1 A 38 38 SER N N 38 113.612 115.195 -1.583 1
1 447 . 18 1 1 A 39 39 HIS H H 39 7.983 7.464 0.519 1
1 448 . 18 1 1 A 39 39 HIS HA H 39 4.403 4.283 0.120 1
1 453 . 18 1 1 A 39 39 HIS C C 39 177.138 176.920 0.218 1
1 454 . 18 1 1 A 39 39 HIS CA C 39 59.316 60.079 -0.763 1
1 455 . 18 1 1 A 39 39 HIS CB C 39 29.226 30.209 -0.983 1
1 458 . 18 1 1 A 39 39 HIS N N 39 119.938 121.573 -1.635 1
1 459 . 18 1 1 A 40 40 LEU H H 40 8.432 8.255 0.177 1
1 460 . 18 1 1 A 40 40 LEU HA H 40 4.045 4.030 0.015 1
1 470 . 18 1 1 A 40 40 LEU C C 40 178.876 179.167 -0.291 1
1 471 . 18 1 1 A 40 40 LEU CA C 40 57.990 57.836 0.154 1
1 472 . 18 1 1 A 40 40 LEU CB C 40 42.609 41.744 0.865 1
1 476 . 18 1 1 A 40 40 LEU N N 40 120.053 118.732 1.321 1
1 477 . 18 1 1 A 41 41 PHE H H 41 8.937 8.829 0.108 1
1 478 . 18 1 1 A 41 41 PHE HA H 41 3.736 4.008 -0.272 1
1 486 . 18 1 1 A 41 41 PHE C C 41 178.022 177.620 0.402 1
1 487 . 18 1 1 A 41 41 PHE CA C 41 62.523 62.363 0.160 1
1 488 . 18 1 1 A 41 41 PHE CB C 41 39.534 39.071 0.463 1
1 494 . 18 1 1 A 41 41 PHE N N 41 120.491 119.683 0.808 1
1 495 . 18 1 1 A 42 42 ARG H H 42 8.009 8.064 -0.055 1
1 496 . 18 1 1 A 42 42 ARG HA H 42 4.021 4.442 -0.421 1
1 502 . 18 1 1 A 42 42 ARG C C 42 179.850 178.200 1.650 1
1 503 . 18 1 1 A 42 42 ARG CA C 42 59.243 58.927 0.316 1
1 504 . 18 1 1 A 42 42 ARG CB C 42 29.748 29.581 0.167 1
1 507 . 18 1 1 A 42 42 ARG N N 42 117.688 118.408 -0.720 1
1 508 . 18 1 1 A 43 43 GLN H H 43 8.286 7.461 0.825 1
1 509 . 18 1 1 A 43 43 GLN HA H 43 4.006 3.991 0.015 1
1 516 . 18 1 1 A 43 43 GLN C C 43 177.917 178.159 -0.242 1
1 517 . 18 1 1 A 43 43 GLN CA C 43 58.715 58.988 -0.273 1
1 518 . 18 1 1 A 43 43 GLN CB C 43 29.345 28.585 0.760 1
1 521 . 18 1 1 A 43 43 GLN N N 43 118.179 118.420 -0.241 1
1 523 . 18 1 1 A 44 44 GLN H H 44 8.296 8.203 0.093 1
1 524 . 18 1 1 A 44 44 GLN HA H 44 4.208 4.123 0.085 1
1 531 . 18 1 1 A 44 44 GLN C C 44 177.314 177.519 -0.205 1
1 532 . 18 1 1 A 44 44 GLN CA C 44 57.913 58.088 -0.175 1
1 533 . 18 1 1 A 44 44 GLN CB C 44 29.027 28.731 0.296 1
1 536 . 18 1 1 A 44 44 GLN N N 44 114.928 117.655 -2.727 1
1 538 . 18 1 1 A 45 45 LEU H H 45 8.463 8.052 0.411 1
1 539 . 18 1 1 A 45 45 LEU HA H 45 4.567 4.260 0.307 1
1 549 . 18 1 1 A 45 45 LEU C C 45 178.381 177.007 1.374 1
1 550 . 18 1 1 A 45 45 LEU CA C 45 54.564 55.177 -0.613 1
1 551 . 18 1 1 A 45 45 LEU CB C 45 43.031 42.350 0.681 1
1 555 . 18 1 1 A 45 45 LEU N N 45 117.028 116.872 0.156 1
1 556 . 18 1 1 A 46 46 GLY H H 46 7.852 8.936 -1.084 1
1 557 . 18 1 1 A 46 46 GLY HA2 H 46 4.005 3.865 0.140 1
1 558 . 18 1 1 A 46 46 GLY HA3 H 46 4.167 3.872 0.295 1
1 559 . 18 1 1 A 46 46 GLY C C 46 173.114 173.448 -0.334 1
1 560 . 18 1 1 A 46 46 GLY CA C 46 46.080 45.913 0.167 1
1 561 . 18 1 1 A 46 46 GLY N N 46 108.569 106.589 1.980 1
1 562 . 18 1 1 A 47 47 ILE H H 47 7.281 7.572 -0.291 1
1 563 . 18 1 1 A 47 47 ILE HA H 47 4.735 4.898 -0.163 1
1 573 . 18 1 1 A 47 47 ILE C C 47 172.231 174.753 -2.522 1
1 574 . 18 1 1 A 47 47 ILE CA C 47 59.240 58.768 0.472 1
1 575 . 18 1 1 A 47 47 ILE CB C 47 42.470 42.240 0.230 1
1 579 . 18 1 1 A 47 47 ILE N N 47 115.396 115.869 -0.473 1
1 580 . 18 1 1 A 48 48 SER H H 48 8.298 8.919 -0.621 1
1 581 . 18 1 1 A 48 48 SER HA H 48 4.725 4.720 0.005 1
1 584 . 18 1 1 A 48 48 SER C C 48 174.600 175.333 -0.733 1
1 585 . 18 1 1 A 48 48 SER CA C 48 57.092 57.839 -0.747 1
1 586 . 18 1 1 A 48 48 SER CB C 48 65.286 64.328 0.958 1
1 587 . 18 1 1 A 48 48 SER N N 48 115.685 117.465 -1.780 1
1 588 . 18 1 1 A 49 49 VAL H H 49 8.296 8.683 -0.387 1
1 589 . 18 1 1 A 49 49 VAL HA H 49 3.081 3.998 -0.917 1
1 597 . 18 1 1 A 49 49 VAL C C 49 177.888 177.839 0.049 1
1 598 . 18 1 1 A 49 49 VAL CA C 49 65.881 65.385 0.496 1
1 599 . 18 1 1 A 49 49 VAL CB C 49 31.149 31.620 -0.471 1
1 602 . 18 1 1 A 49 49 VAL N N 49 120.175 123.117 -2.942 1
1 603 . 18 1 1 A 50 50 LEU H H 50 8.138 8.196 -0.058 1
1 604 . 18 1 1 A 50 50 LEU HA H 50 4.011 4.114 -0.103 1
1 614 . 18 1 1 A 50 50 LEU C C 50 180.412 179.567 0.845 1
1 615 . 18 1 1 A 50 50 LEU CA C 50 57.962 57.880 0.082 1
1 616 . 18 1 1 A 50 50 LEU CB C 50 41.224 40.676 0.548 1
1 620 . 18 1 1 A 50 50 LEU N N 50 116.998 120.701 -3.703 1
1 621 . 18 1 1 A 51 51 SER H H 51 8.087 7.984 0.103 1
1 622 . 18 1 1 A 51 51 SER HA H 51 4.279 4.245 0.034 1
1 624 . 18 1 1 A 51 51 SER C C 51 176.081 176.800 -0.719 1
1 625 . 18 1 1 A 51 51 SER CA C 51 62.174 61.310 0.864 1
1 626 . 18 1 1 A 51 51 SER N N 51 117.207 114.980 2.227 1
1 627 . 18 1 1 A 52 52 TRP H H 52 8.913 8.500 0.413 1
1 628 . 18 1 1 A 52 52 TRP HA H 52 4.067 4.291 -0.224 1
1 637 . 18 1 1 A 52 52 TRP C C 52 178.579 178.017 0.562 1
1 638 . 18 1 1 A 52 52 TRP CA C 52 63.288 61.183 2.105 1
1 639 . 18 1 1 A 52 52 TRP CB C 52 29.159 30.014 -0.855 1
1 645 . 18 1 1 A 52 52 TRP N N 52 124.958 123.566 1.392 1
1 647 . 18 1 1 A 53 53 ARG H H 53 8.547 8.143 0.404 1
1 648 . 18 1 1 A 53 53 ARG HA H 53 3.578 3.543 0.035 1
1 654 . 18 1 1 A 53 53 ARG C C 53 177.290 178.863 -1.573 1
1 655 . 18 1 1 A 53 53 ARG CA C 53 60.443 59.500 0.943 1
1 656 . 18 1 1 A 53 53 ARG CB C 53 30.001 29.814 0.187 1
1 659 . 18 1 1 A 53 53 ARG N N 53 118.356 118.946 -0.590 1
1 660 . 18 1 1 A 54 54 GLU H H 54 8.002 7.518 0.484 1
1 661 . 18 1 1 A 54 54 GLU HA H 54 4.016 4.077 -0.061 1
1 666 . 18 1 1 A 54 54 GLU C C 54 178.460 178.459 0.001 1
1 667 . 18 1 1 A 54 54 GLU CA C 54 59.982 59.435 0.547 1
1 668 . 18 1 1 A 54 54 GLU CB C 54 29.759 29.292 0.467 1
1 670 . 18 1 1 A 54 54 GLU N N 54 118.818 118.930 -0.112 1
1 671 . 18 1 1 A 55 55 ASP H H 55 8.111 8.234 -0.123 1
1 672 . 18 1 1 A 55 55 ASP HA H 55 4.289 4.273 0.016 1
1 675 . 18 1 1 A 55 55 ASP C C 55 179.313 178.521 0.792 1
1 676 . 18 1 1 A 55 55 ASP CA C 55 57.131 57.380 -0.249 1
1 677 . 18 1 1 A 55 55 ASP CB C 55 40.227 40.978 -0.751 1
1 678 . 18 1 1 A 55 55 ASP N N 55 119.156 119.960 -0.804 1
1 679 . 18 1 1 A 56 56 GLN H H 56 8.099 7.734 0.365 1
1 680 . 18 1 1 A 56 56 GLN HA H 56 3.781 3.745 0.036 1
1 687 . 18 1 1 A 56 56 GLN C C 56 178.700 178.656 0.044 1
1 688 . 18 1 1 A 56 56 GLN CA C 56 57.487 58.649 -1.162 1
1 689 . 18 1 1 A 56 56 GLN CB C 56 27.430 27.869 -0.439 1
1 692 . 18 1 1 A 56 56 GLN N N 56 119.807 117.874 1.933 1
1 694 . 18 1 1 A 57 57 ARG H H 57 8.240 7.666 0.574 1
1 695 . 18 1 1 A 57 57 ARG HA H 57 3.898 3.918 -0.020 1
1 702 . 18 1 1 A 57 57 ARG C C 57 178.185 178.610 -0.425 1
1 703 . 18 1 1 A 57 57 ARG CA C 57 60.671 58.672 1.999 1
1 704 . 18 1 1 A 57 57 ARG CB C 57 31.221 29.757 1.464 1
1 707 . 18 1 1 A 57 57 ARG N N 57 120.129 118.340 1.789 1
1 708 . 18 1 1 A 58 58 ILE H H 58 7.885 8.143 -0.258 1
1 709 . 18 1 1 A 58 58 ILE HA H 58 3.978 3.583 0.395 1
1 719 . 18 1 1 A 58 58 ILE C C 58 178.357 178.221 0.136 1
1 720 . 18 1 1 A 58 58 ILE CA C 58 61.684 64.918 -3.234 1
1 721 . 18 1 1 A 58 58 ILE CB C 58 34.538 37.549 -3.011 1
1 725 . 18 1 1 A 58 58 ILE N N 58 118.096 121.244 -3.148 1
1 726 . 18 1 1 A 59 59 SER H H 59 8.563 8.231 0.332 1
1 727 . 18 1 1 A 59 59 SER HA H 59 4.010 4.077 -0.067 1
1 728 . 18 1 1 A 59 59 SER C C 59 177.731 176.820 0.911 1
1 729 . 18 1 1 A 59 59 SER CA C 59 62.459 60.906 1.553 1
1 730 . 18 1 1 A 59 59 SER N N 59 117.208 116.280 0.928 1
1 731 . 18 1 1 A 60 60 GLN H H 60 8.471 7.753 0.718 1
1 732 . 18 1 1 A 60 60 GLN HA H 60 4.228 3.926 0.302 1
1 739 . 18 1 1 A 60 60 GLN C C 60 177.958 177.441 0.517 1
1 740 . 18 1 1 A 60 60 GLN CA C 60 58.233 58.385 -0.152 1
1 741 . 18 1 1 A 60 60 GLN CB C 60 27.288 28.603 -1.315 1
1 744 . 18 1 1 A 60 60 GLN N N 60 121.780 120.515 1.265 1
1 746 . 18 1 1 A 61 61 ALA H H 61 8.504 7.909 0.595 1
1 747 . 18 1 1 A 61 61 ALA HA H 61 3.947 3.790 0.157 1
1 751 . 18 1 1 A 61 61 ALA C C 61 179.360 179.355 0.005 1
1 752 . 18 1 1 A 61 61 ALA CA C 61 55.413 55.163 0.250 1
1 753 . 18 1 1 A 61 61 ALA CB C 61 18.124 17.934 0.190 1
1 754 . 18 1 1 A 61 61 ALA N N 61 122.352 121.885 0.467 1
1 755 . 18 1 1 A 62 62 LYS H H 62 8.776 7.491 1.285 1
1 756 . 18 1 1 A 62 62 LYS HA H 62 3.722 3.937 -0.215 1
1 765 . 18 1 1 A 62 62 LYS C C 62 179.330 178.546 0.784 1
1 766 . 18 1 1 A 62 62 LYS CA C 62 60.632 58.938 1.694 1
1 767 . 18 1 1 A 62 62 LYS CB C 62 32.580 31.524 1.056 1
1 771 . 18 1 1 A 62 62 LYS N N 62 117.072 116.408 0.664 1
1 772 . 18 1 1 A 63 63 LEU H H 63 7.670 7.607 0.063 1
1 773 . 18 1 1 A 63 63 LEU HA H 63 4.233 3.989 0.244 1
1 783 . 18 1 1 A 63 63 LEU C C 63 180.902 178.294 2.608 1
1 784 . 18 1 1 A 63 63 LEU CA C 63 58.446 57.983 0.463 1
1 785 . 18 1 1 A 63 63 LEU CB C 63 41.598 41.729 -0.131 1
1 789 . 18 1 1 A 63 63 LEU N N 63 121.196 121.322 -0.126 1
1 790 . 18 1 1 A 64 64 LEU H H 64 8.585 8.075 0.510 1
1 791 . 18 1 1 A 64 64 LEU HA H 64 4.088 3.973 0.115 1
1 801 . 18 1 1 A 64 64 LEU C C 64 180.869 179.142 1.727 1
1 802 . 18 1 1 A 64 64 LEU CA C 64 57.782 58.050 -0.268 1
1 803 . 18 1 1 A 64 64 LEU CB C 64 42.760 41.083 1.677 1
1 807 . 18 1 1 A 64 64 LEU N N 64 121.842 117.247 4.595 1
1 808 . 18 1 1 A 65 65 LEU H H 65 9.100 8.306 0.794 1
1 809 . 18 1 1 A 65 65 LEU HA H 65 4.346 4.251 0.095 1
1 819 . 18 1 1 A 65 65 LEU C C 65 178.659 179.380 -0.721 1
1 820 . 18 1 1 A 65 65 LEU CA C 65 57.408 57.630 -0.222 1
1 821 . 18 1 1 A 65 65 LEU CB C 65 43.013 41.389 1.624 1
1 825 . 18 1 1 A 65 65 LEU N N 65 119.872 120.360 -0.488 1
1 826 . 18 1 1 A 66 66 SER H H 66 8.303 8.131 0.172 1
1 827 . 18 1 1 A 66 66 SER HA H 66 4.211 4.312 -0.101 1
1 829 . 18 1 1 A 66 66 SER C C 66 176.580 176.576 0.004 1
1 830 . 18 1 1 A 66 66 SER CA C 66 60.155 60.944 -0.789 1
1 831 . 18 1 1 A 66 66 SER CB C 66 65.198 63.069 2.129 1
1 832 . 18 1 1 A 66 66 SER N N 66 110.490 114.801 -4.311 1
1 833 . 18 1 1 A 67 67 THR H H 67 7.901 7.666 0.235 1
1 834 . 18 1 1 A 67 67 THR HA H 67 4.812 4.464 0.348 1
1 839 . 18 1 1 A 67 67 THR C C 67 174.240 174.183 0.057 1
1 840 . 18 1 1 A 67 67 THR CA C 67 62.400 62.742 -0.342 1
1 841 . 18 1 1 A 67 67 THR CB C 67 71.512 69.371 2.141 1
1 843 . 18 1 1 A 67 67 THR N N 67 108.414 113.569 -5.155 1
1 844 . 18 1 1 A 68 68 THR H H 68 7.507 7.247 0.260 1
1 845 . 18 1 1 A 68 68 THR HA H 68 5.096 4.799 0.297 1
1 850 . 18 1 1 A 68 68 THR C C 68 174.263 174.055 0.208 1
1 851 . 18 1 1 A 68 68 THR CA C 68 60.124 59.477 0.647 1
1 852 . 18 1 1 A 68 68 THR CB C 68 72.795 71.961 0.834 1
1 854 . 18 1 1 A 68 68 THR N N 68 111.673 112.396 -0.723 1
1 855 . 18 1 1 A 69 69 ARG H H 69 8.767 8.392 0.375 1
1 856 . 18 1 1 A 69 69 ARG HA H 69 4.422 4.682 -0.260 1
1 863 . 18 1 1 A 69 69 ARG C C 69 176.568 176.572 -0.004 1
1 864 . 18 1 1 A 69 69 ARG CA C 69 53.692 55.187 -1.495 1
1 865 . 18 1 1 A 69 69 ARG CB C 69 28.814 30.748 -1.934 1
1 868 . 18 1 1 A 69 69 ARG N N 69 118.034 119.353 -1.319 1
1 869 . 18 1 1 A 70 70 MET H H 70 7.996 7.622 0.374 1
1 870 . 18 1 1 A 70 70 MET HA H 70 4.470 4.521 -0.051 1
1 878 . 18 1 1 A 70 70 MET CA C 70 55.386 55.224 0.162 1
1 879 . 18 1 1 A 70 70 MET CB C 70 34.080 32.290 1.790 1
1 882 . 18 1 1 A 70 70 MET N N 70 122.491 121.302 1.189 1
1 883 . 18 1 1 A 71 71 PRO HA H 71 4.574 4.584 -0.010 1
1 890 . 18 1 1 A 71 71 PRO C C 71 177.204 177.421 -0.217 1
1 891 . 18 1 1 A 71 71 PRO CA C 71 62.915 62.618 0.297 1
1 892 . 18 1 1 A 71 71 PRO CB C 71 32.380 32.688 -0.308 1
1 895 . 18 1 1 A 72 72 ILE H H 72 8.782 8.438 0.344 1
1 896 . 18 1 1 A 72 72 ILE HA H 72 3.407 3.759 -0.352 1
1 906 . 18 1 1 A 72 72 ILE C C 72 177.760 178.123 -0.363 1
1 907 . 18 1 1 A 72 72 ILE CA C 72 65.627 64.762 0.865 1
1 908 . 18 1 1 A 72 72 ILE CB C 72 36.771 37.783 -1.012 1
1 912 . 18 1 1 A 72 72 ILE N N 72 124.417 123.263 1.154 1
1 913 . 18 1 1 A 73 73 ALA H H 73 9.109 8.136 0.973 1
1 914 . 18 1 1 A 73 73 ALA HA H 73 3.974 4.068 -0.094 1
1 918 . 18 1 1 A 73 73 ALA C C 73 180.248 179.725 0.523 1
1 919 . 18 1 1 A 73 73 ALA CA C 73 55.232 55.268 -0.036 1
1 920 . 18 1 1 A 73 73 ALA CB C 73 18.338 18.232 0.106 1
1 921 . 18 1 1 A 73 73 ALA N N 73 119.077 123.196 -4.119 1
1 922 . 18 1 1 A 74 74 THR H H 74 7.112 8.001 -0.889 1
1 923 . 18 1 1 A 74 74 THR HA H 74 3.875 3.941 -0.066 1
1 928 . 18 1 1 A 74 74 THR C C 74 175.761 176.402 -0.641 1
1 929 . 18 1 1 A 74 74 THR CA C 74 65.841 66.568 -0.727 1
1 930 . 18 1 1 A 74 74 THR CB C 74 68.248 67.885 0.363 1
1 932 . 18 1 1 A 74 74 THR N N 74 114.866 114.933 -0.067 1
1 933 . 18 1 1 A 75 75 VAL H H 75 8.087 8.112 -0.025 1
1 934 . 18 1 1 A 75 75 VAL HA H 75 3.305 3.469 -0.164 1
1 942 . 18 1 1 A 75 75 VAL C C 75 177.048 177.470 -0.422 1
1 943 . 18 1 1 A 75 75 VAL CA C 75 67.681 66.401 1.280 1
1 944 . 18 1 1 A 75 75 VAL CB C 75 30.831 31.164 -0.333 1
1 947 . 18 1 1 A 75 75 VAL N N 75 123.901 121.387 2.514 1
1 948 . 18 1 1 A 76 76 GLY H H 76 7.673 7.852 -0.179 1
1 949 . 18 1 1 A 76 76 GLY HA2 H 76 2.235 3.227 -0.992 1
1 950 . 18 1 1 A 76 76 GLY HA3 H 76 3.003 3.621 -0.618 1
1 951 . 18 1 1 A 76 76 GLY C C 76 176.562 175.667 0.895 1
1 952 . 18 1 1 A 76 76 GLY CA C 76 46.293 46.882 -0.589 1
1 953 . 18 1 1 A 76 76 GLY N N 76 102.438 107.173 -4.735 1
1 954 . 18 1 1 A 77 77 ARG H H 77 7.760 7.518 0.242 1
1 955 . 18 1 1 A 77 77 ARG HA H 77 3.982 4.013 -0.031 1
1 962 . 18 1 1 A 77 77 ARG C C 77 180.332 178.753 1.579 1
1 963 . 18 1 1 A 77 77 ARG CA C 77 59.550 59.254 0.296 1
1 964 . 18 1 1 A 77 77 ARG CB C 77 30.085 29.980 0.105 1
1 967 . 18 1 1 A 77 77 ARG N N 77 122.228 121.758 0.470 1
1 968 . 18 1 1 A 78 78 ASN H H 78 8.230 7.787 0.443 1
1 969 . 18 1 1 A 78 78 ASN HA H 78 4.397 4.459 -0.062 1
1 974 . 18 1 1 A 78 78 ASN C C 78 176.105 176.922 -0.817 1
1 975 . 18 1 1 A 78 78 ASN CA C 78 55.615 55.775 -0.160 1
1 976 . 18 1 1 A 78 78 ASN CB C 78 38.806 38.691 0.115 1
1 978 . 18 1 1 A 78 78 ASN N N 78 119.139 117.055 2.084 1
1 980 . 18 1 1 A 79 79 VAL H H 79 7.323 7.186 0.137 1
1 981 . 18 1 1 A 79 79 VAL HA H 79 4.438 4.370 0.068 1
1 989 . 18 1 1 A 79 79 VAL C C 79 174.220 175.839 -1.619 1
1 990 . 18 1 1 A 79 79 VAL CA C 79 59.911 60.569 -0.658 1
1 991 . 18 1 1 A 79 79 VAL CB C 79 31.400 30.956 0.444 1
1 994 . 18 1 1 A 79 79 VAL N N 79 108.664 110.988 -2.324 1
1 995 . 18 1 1 A 80 80 GLY H H 80 7.286 7.915 -0.629 1
1 996 . 18 1 1 A 80 80 GLY HA2 H 80 3.540 3.963 -0.423 1
1 997 . 18 1 1 A 80 80 GLY HA3 H 80 4.023 4.003 0.020 1
1 998 . 18 1 1 A 80 80 GLY C C 80 174.383 174.656 -0.273 1
1 999 . 18 1 1 A 80 80 GLY CA C 80 45.739 45.930 -0.191 1
1 1000 . 18 1 1 A 80 80 GLY N N 80 104.635 110.085 -5.450 1
1 1001 . 18 1 1 A 81 81 PHE H H 81 8.535 8.195 0.340 1
1 1002 . 18 1 1 A 81 81 PHE HA H 81 4.845 4.489 0.356 1
1 1010 . 18 1 1 A 81 81 PHE C C 81 174.570 175.745 -1.175 1
1 1011 . 18 1 1 A 81 81 PHE CA C 81 56.375 58.864 -2.489 1
1 1012 . 18 1 1 A 81 81 PHE CB C 81 39.941 38.656 1.285 1
1 1018 . 18 1 1 A 81 81 PHE N N 81 119.772 119.498 0.274 1
1 1019 . 18 1 1 A 82 82 ASP H H 82 8.564 9.160 -0.596 1
1 1020 . 18 1 1 A 82 82 ASP HA H 82 4.491 4.636 -0.145 1
1 1023 . 18 1 1 A 82 82 ASP C C 82 175.170 175.445 -0.275 1
1 1024 . 18 1 1 A 82 82 ASP CA C 82 55.195 56.381 -1.186 1
1 1025 . 18 1 1 A 82 82 ASP CB C 82 41.010 41.855 -0.845 1
1 1026 . 18 1 1 A 82 82 ASP N N 82 123.028 126.019 -2.991 1
1 1027 . 18 1 1 A 83 83 ASP H H 83 7.789 7.892 -0.103 1
1 1028 . 18 1 1 A 83 83 ASP HA H 83 4.947 4.950 -0.003 1
1 1031 . 18 1 1 A 83 83 ASP C C 83 176.347 177.031 -0.684 1
1 1032 . 18 1 1 A 83 83 ASP CA C 83 52.690 53.924 -1.234 1
1 1033 . 18 1 1 A 83 83 ASP CB C 83 43.152 41.860 1.292 1
1 1034 . 18 1 1 A 83 83 ASP N N 83 118.576 118.478 0.098 1
1 1035 . 18 1 1 A 84 84 GLN H H 84 9.104 8.792 0.312 1
1 1036 . 18 1 1 A 84 84 GLN HA H 84 4.333 4.198 0.135 1
1 1043 . 18 1 1 A 84 84 GLN C C 84 177.986 178.333 -0.347 1
1 1044 . 18 1 1 A 84 84 GLN CA C 84 58.909 58.944 -0.035 1
1 1045 . 18 1 1 A 84 84 GLN CB C 84 28.267 27.886 0.381 1
1 1048 . 18 1 1 A 84 84 GLN N N 84 126.543 124.441 2.102 1
1 1050 . 18 1 1 A 85 85 LEU H H 85 8.419 8.180 0.239 1
1 1051 . 18 1 1 A 85 85 LEU HA H 85 4.210 4.198 0.012 1
1 1061 . 18 1 1 A 85 85 LEU C C 85 179.472 179.018 0.454 1
1 1062 . 18 1 1 A 85 85 LEU CA C 85 57.958 57.673 0.285 1
1 1063 . 18 1 1 A 85 85 LEU CB C 85 40.678 41.994 -1.316 1
1 1067 . 18 1 1 A 85 85 LEU N N 85 123.486 121.519 1.967 1
1 1068 . 18 1 1 A 86 86 TYR H H 86 8.042 8.563 -0.521 1
1 1069 . 18 1 1 A 86 86 TYR HA H 86 4.288 4.183 0.105 1
1 1076 . 18 1 1 A 86 86 TYR C C 86 177.195 177.723 -0.528 1
1 1077 . 18 1 1 A 86 86 TYR CA C 86 60.367 61.694 -1.327 1
1 1078 . 18 1 1 A 86 86 TYR CB C 86 38.184 38.524 -0.340 1
1 1083 . 18 1 1 A 86 86 TYR N N 86 122.679 120.090 2.589 1
1 1084 . 18 1 1 A 87 87 PHE H H 87 8.219 8.198 0.021 1
1 1085 . 18 1 1 A 87 87 PHE HA H 87 3.261 4.052 -0.791 1
1 1093 . 18 1 1 A 87 87 PHE C C 87 175.875 178.102 -2.227 1
1 1094 . 18 1 1 A 87 87 PHE CA C 87 58.536 62.005 -3.469 1
1 1095 . 18 1 1 A 87 87 PHE CB C 87 38.124 39.373 -1.249 1
1 1101 . 18 1 1 A 87 87 PHE N N 87 116.536 121.182 -4.646 1
1 1102 . 18 1 1 A 88 88 SER H H 88 8.082 7.890 0.192 1
1 1103 . 18 1 1 A 88 88 SER HA H 88 3.951 3.881 0.070 1
1 1105 . 18 1 1 A 88 88 SER C C 88 175.926 177.323 -1.397 1
1 1106 . 18 1 1 A 88 88 SER CA C 88 62.398 61.279 1.119 1
1 1107 . 18 1 1 A 88 88 SER N N 88 112.937 114.125 -1.188 1
1 1108 . 18 1 1 A 89 89 ARG H H 89 7.843 8.201 -0.358 1
1 1109 . 18 1 1 A 89 89 ARG HA H 89 3.975 4.097 -0.122 1
1 1116 . 18 1 1 A 89 89 ARG C C 89 179.414 178.944 0.470 1
1 1117 . 18 1 1 A 89 89 ARG CA C 89 59.452 59.223 0.229 1
1 1118 . 18 1 1 A 89 89 ARG CB C 89 30.242 30.149 0.093 1
1 1121 . 18 1 1 A 89 89 ARG N N 89 121.621 122.015 -0.394 1
1 1122 . 18 1 1 A 90 90 VAL H H 90 8.235 7.862 0.373 1
1 1123 . 18 1 1 A 90 90 VAL HA H 90 3.530 3.579 -0.049 1
1 1131 . 18 1 1 A 90 90 VAL C C 90 177.752 178.050 -0.298 1
1 1132 . 18 1 1 A 90 90 VAL CA C 90 66.208 66.243 -0.035 1
1 1133 . 18 1 1 A 90 90 VAL CB C 90 31.649 31.861 -0.212 1
1 1136 . 18 1 1 A 90 90 VAL N N 90 122.095 119.903 2.192 1
1 1137 . 18 1 1 A 91 91 PHE H H 91 8.763 8.623 0.140 1
1 1138 . 18 1 1 A 91 91 PHE HA H 91 3.584 3.883 -0.299 1
1 1141 . 18 1 1 A 91 91 PHE C C 91 178.386 177.263 1.123 1
1 1142 . 18 1 1 A 91 91 PHE CA C 91 62.523 60.432 2.091 1
1 1143 . 18 1 1 A 91 91 PHE CB C 91 39.528 38.297 1.231 1
1 1144 . 18 1 1 A 91 91 PHE N N 91 121.769 120.048 1.721 1
1 1145 . 18 1 1 A 92 92 LYS H H 92 8.237 8.306 -0.069 1
1 1146 . 18 1 1 A 92 92 LYS HA H 92 4.217 4.000 0.217 1
1 1153 . 18 1 1 A 92 92 LYS C C 92 179.621 179.294 0.327 1
1 1154 . 18 1 1 A 92 92 LYS CA C 92 58.597 59.840 -1.243 1
1 1155 . 18 1 1 A 92 92 LYS CB C 92 32.290 32.676 -0.386 1
1 1159 . 18 1 1 A 92 92 LYS N N 92 121.441 118.376 3.065 1
1 1160 . 18 1 1 A 93 93 LYS H H 93 8.013 7.536 0.477 1
1 1161 . 18 1 1 A 93 93 LYS HA H 93 3.956 4.069 -0.113 1
1 1169 . 18 1 1 A 93 93 LYS C C 93 178.611 179.424 -0.813 1
1 1170 . 18 1 1 A 93 93 LYS CA C 93 59.356 59.052 0.304 1
1 1171 . 18 1 1 A 93 93 LYS CB C 93 31.785 31.778 0.007 1
1 1175 . 18 1 1 A 93 93 LYS N N 93 122.286 118.227 4.059 1
1 1176 . 18 1 1 A 94 94 CYS H H 94 7.818 7.875 -0.057 1
1 1177 . 18 1 1 A 94 94 CYS HA H 94 4.224 4.071 0.153 1
1 1180 . 18 1 1 A 94 94 CYS C C 94 176.440 176.795 -0.355 1
1 1181 . 18 1 1 A 94 94 CYS CA C 94 62.517 62.482 0.035 1
1 1182 . 18 1 1 A 94 94 CYS CB C 94 28.104 26.604 1.500 1
1 1183 . 18 1 1 A 94 94 CYS N N 94 113.581 118.968 -5.387 1
1 1184 . 18 1 1 A 95 95 THR H H 95 8.038 7.592 0.446 1
1 1185 . 18 1 1 A 95 95 THR HA H 95 4.397 4.422 -0.025 1
1 1190 . 18 1 1 A 95 95 THR C C 95 176.237 175.187 1.050 1
1 1191 . 18 1 1 A 95 95 THR CA C 95 62.507 62.704 -0.197 1
1 1192 . 18 1 1 A 95 95 THR CB C 95 71.481 70.400 1.081 1
1 1194 . 18 1 1 A 95 95 THR N N 95 106.903 112.867 -5.964 1
1 1195 . 18 1 1 A 96 96 GLY H H 96 8.526 8.897 -0.371 1
1 1196 . 18 1 1 A 96 96 GLY HA2 H 96 3.724 3.829 -0.105 1
1 1197 . 18 1 1 A 96 96 GLY HA3 H 96 4.374 3.839 0.535 1
1 1198 . 18 1 1 A 96 96 GLY C C 96 172.550 173.279 -0.729 1
1 1199 . 18 1 1 A 96 96 GLY CA C 96 45.264 45.263 0.001 1
1 1200 . 18 1 1 A 96 96 GLY N N 96 112.762 110.109 2.653 1
1 1201 . 18 1 1 A 97 97 ALA H H 97 8.560 7.342 1.218 1
1 1202 . 18 1 1 A 97 97 ALA HA H 97 4.841 4.729 0.112 1
1 1206 . 18 1 1 A 97 97 ALA C C 97 175.280 175.524 -0.244 1
1 1207 . 18 1 1 A 97 97 ALA CA C 97 50.176 50.913 -0.737 1
1 1208 . 18 1 1 A 97 97 ALA CB C 97 22.551 22.832 -0.281 1
1 1209 . 18 1 1 A 97 97 ALA N N 97 125.656 120.723 4.933 1
1 1210 . 18 1 1 A 98 98 SER H H 98 8.817 8.720 0.097 1
1 1211 . 18 1 1 A 98 98 SER HA H 98 4.656 4.439 0.217 1
1 1212 . 18 1 1 A 98 98 SER CA C 98 56.612 57.236 -0.624 1
1 1213 . 18 1 1 A 98 98 SER N N 98 114.919 114.728 0.191 1
1 1214 . 18 1 1 A 99 99 PRO HA H 99 3.500 4.646 -1.146 1
1 1220 . 18 1 1 A 99 99 PRO C C 99 177.585 178.749 -1.164 1
1 1221 . 18 1 1 A 99 99 PRO CA C 99 66.202 65.092 1.110 1
1 1222 . 18 1 1 A 99 99 PRO CB C 99 32.030 32.279 -0.249 1
1 1225 . 18 1 1 A 100 100 SER H H 100 8.254 8.378 -0.124 1
1 1226 . 18 1 1 A 100 100 SER HA H 100 4.029 4.281 -0.252 1
1 1227 . 18 1 1 A 100 100 SER C C 100 177.441 176.708 0.733 1
1 1228 . 18 1 1 A 100 100 SER CA C 100 61.891 61.442 0.449 1
1 1229 . 18 1 1 A 100 100 SER N N 100 111.230 114.392 -3.162 1
1 1230 . 18 1 1 A 101 101 GLU H H 101 7.848 7.767 0.081 1
1 1231 . 18 1 1 A 101 101 GLU HA H 101 4.021 4.000 0.021 1
1 1236 . 18 1 1 A 101 101 GLU C C 101 179.288 179.044 0.244 1
1 1237 . 18 1 1 A 101 101 GLU CA C 101 58.822 59.293 -0.471 1
1 1238 . 18 1 1 A 101 101 GLU CB C 101 29.846 29.405 0.441 1
1 1240 . 18 1 1 A 101 101 GLU N N 101 125.150 122.612 2.538 1
1 1241 . 18 1 1 A 102 102 PHE H H 102 8.923 7.917 1.006 1
1 1242 . 18 1 1 A 102 102 PHE HA H 102 4.155 4.155 0.000 1
1 1245 . 18 1 1 A 102 102 PHE C C 102 178.343 178.006 0.337 1
1 1246 . 18 1 1 A 102 102 PHE CA C 102 61.315 61.617 -0.302 1
1 1247 . 18 1 1 A 102 102 PHE CB C 102 40.083 39.436 0.647 1
1 1248 . 18 1 1 A 102 102 PHE N N 102 121.281 121.044 0.237 1
1 1249 . 18 1 1 A 103 103 ARG H H 103 8.210 8.131 0.079 1
1 1250 . 18 1 1 A 103 103 ARG HA H 103 3.830 4.075 -0.245 1
1 1257 . 18 1 1 A 103 103 ARG C C 103 177.602 179.326 -1.724 1
1 1258 . 18 1 1 A 103 103 ARG CA C 103 59.235 59.813 -0.578 1
1 1261 . 18 1 1 A 103 103 ARG N N 103 119.223 118.281 0.942 1
1 1262 . 18 1 1 A 104 104 ALA H H 104 7.905 7.685 0.220 1
1 1263 . 18 1 1 A 104 104 ALA HA H 104 4.186 4.201 -0.015 1
1 1267 . 18 1 1 A 104 104 ALA C C 104 179.126 178.020 1.106 1
1 1268 . 18 1 1 A 104 104 ALA CA C 104 54.188 52.676 1.512 1
1 1269 . 18 1 1 A 104 104 ALA CB C 104 18.254 19.734 -1.480 1
1 1270 . 18 1 1 A 104 104 ALA N N 104 120.546 119.124 1.422 1
1 1271 . 18 1 1 A 105 105 GLY H H 105 7.676 7.652 0.024 1
1 1272 . 18 1 1 A 105 105 GLY HA2 H 105 3.849 3.783 0.066 1
1 1273 . 18 1 1 A 105 105 GLY HA3 H 105 4.052 3.849 0.203 1
1 1274 . 18 1 1 A 105 105 GLY C C 105 174.515 174.228 0.287 1
1 1275 . 18 1 1 A 105 105 GLY CA C 105 45.317 45.687 -0.370 1
1 1276 . 18 1 1 A 105 105 GLY N N 105 104.677 107.446 -2.769 1
1 1277 . 18 1 1 A 106 106 CYS H H 106 7.599 7.441 0.158 1
1 1278 . 18 1 1 A 106 106 CYS HA H 106 4.447 4.419 0.028 1
1 1281 . 18 1 1 A 106 106 CYS C C 106 173.823 175.358 -1.535 1
1 1282 . 18 1 1 A 106 106 CYS CA C 106 59.123 59.008 0.115 1
1 1283 . 18 1 1 A 106 106 CYS CB C 106 28.004 28.380 -0.376 1
1 1284 . 18 1 1 A 106 106 CYS N N 106 118.321 119.476 -1.155 1
1 14 . 19 1 1 A 2 2 ASP H H 2 8.989 8.393 0.596 1
1 15 . 19 1 1 A 2 2 ASP HA H 2 4.662 4.774 -0.112 1
1 18 . 19 1 1 A 2 2 ASP C C 2 177.024 177.278 -0.254 1
1 19 . 19 1 1 A 2 2 ASP CA C 2 54.092 54.275 -0.183 1
1 20 . 19 1 1 A 2 2 ASP CB C 2 42.743 42.866 -0.123 1
1 21 . 19 1 1 A 2 2 ASP N N 2 126.287 123.591 2.696 1
1 22 . 19 1 1 A 3 3 ASN H H 3 9.165 8.798 0.367 1
1 23 . 19 1 1 A 3 3 ASN HA H 3 4.446 4.375 0.071 1
1 28 . 19 1 1 A 3 3 ASN C C 3 177.306 177.449 -0.143 1
1 29 . 19 1 1 A 3 3 ASN CA C 3 56.355 56.018 0.337 1
1 30 . 19 1 1 A 3 3 ASN CB C 3 38.382 38.055 0.327 1
1 32 . 19 1 1 A 3 3 ASN N N 3 124.055 122.008 2.047 1
1 34 . 19 1 1 A 4 4 ARG H H 4 9.092 7.910 1.182 1
1 35 . 19 1 1 A 4 4 ARG HA H 4 4.183 4.013 0.170 1
1 42 . 19 1 1 A 4 4 ARG C C 4 178.824 179.006 -0.182 1
1 43 . 19 1 1 A 4 4 ARG CA C 4 59.401 59.584 -0.183 1
1 44 . 19 1 1 A 4 4 ARG CB C 4 29.437 30.509 -1.072 1
1 47 . 19 1 1 A 4 4 ARG N N 4 119.970 121.494 -1.524 1
1 48 . 19 1 1 A 5 5 VAL H H 5 7.588 7.755 -0.167 1
1 49 . 19 1 1 A 5 5 VAL HA H 5 3.458 3.841 -0.383 1
1 57 . 19 1 1 A 5 5 VAL C C 5 177.573 177.680 -0.107 1
1 58 . 19 1 1 A 5 5 VAL CA C 5 66.543 65.802 0.741 1
1 59 . 19 1 1 A 5 5 VAL CB C 5 31.294 31.290 0.004 1
1 62 . 19 1 1 A 5 5 VAL N N 5 119.312 116.567 2.745 1
1 63 . 19 1 1 A 6 6 ARG H H 6 7.920 8.280 -0.360 1
1 64 . 19 1 1 A 6 6 ARG HA H 6 3.860 3.840 0.020 1
1 71 . 19 1 1 A 6 6 ARG C C 6 179.380 178.613 0.767 1
1 72 . 19 1 1 A 6 6 ARG CA C 6 60.197 59.500 0.697 1
1 73 . 19 1 1 A 6 6 ARG CB C 6 29.818 29.947 -0.129 1
1 76 . 19 1 1 A 6 6 ARG N N 6 120.863 121.975 -1.112 1
1 77 . 19 1 1 A 7 7 GLU H H 7 8.262 7.536 0.726 1
1 78 . 19 1 1 A 7 7 GLU HA H 7 4.241 4.164 0.077 1
1 83 . 19 1 1 A 7 7 GLU C C 7 179.131 178.808 0.323 1
1 84 . 19 1 1 A 7 7 GLU CA C 7 58.770 59.239 -0.469 1
1 85 . 19 1 1 A 7 7 GLU CB C 7 28.883 29.125 -0.242 1
1 87 . 19 1 1 A 7 7 GLU N N 7 119.166 118.946 0.220 1
1 88 . 19 1 1 A 8 8 ALA H H 8 8.421 7.682 0.739 1
1 89 . 19 1 1 A 8 8 ALA HA H 8 4.046 4.443 -0.397 1
1 93 . 19 1 1 A 8 8 ALA C C 8 179.202 179.942 -0.740 1
1 94 . 19 1 1 A 8 8 ALA CA C 8 55.610 55.190 0.420 1
1 95 . 19 1 1 A 8 8 ALA CB C 8 18.512 18.436 0.076 1
1 96 . 19 1 1 A 8 8 ALA N N 8 123.947 121.881 2.066 1
1 97 . 19 1 1 A 9 9 CYS H H 9 8.490 9.000 -0.510 1
1 98 . 19 1 1 A 9 9 CYS HA H 9 3.767 4.162 -0.395 1
1 101 . 19 1 1 A 9 9 CYS C C 9 176.858 177.512 -0.654 1
1 102 . 19 1 1 A 9 9 CYS CA C 9 64.480 61.086 3.394 1
1 103 . 19 1 1 A 9 9 CYS CB C 9 26.690 26.882 -0.192 1
1 104 . 19 1 1 A 9 9 CYS N N 9 116.232 115.710 0.522 1
1 105 . 19 1 1 A 10 10 GLN H H 10 8.088 7.943 0.145 1
1 106 . 19 1 1 A 10 10 GLN HA H 10 4.022 4.243 -0.221 1
1 113 . 19 1 1 A 10 10 GLN C C 10 177.140 178.310 -1.170 1
1 114 . 19 1 1 A 10 10 GLN CA C 10 58.804 58.752 0.052 1
1 115 . 19 1 1 A 10 10 GLN CB C 10 28.299 28.391 -0.092 1
1 118 . 19 1 1 A 10 10 GLN N N 10 120.817 121.880 -1.063 1
1 120 . 19 1 1 A 11 11 TYR H H 11 8.367 7.956 0.411 1
1 121 . 19 1 1 A 11 11 TYR HA H 11 4.308 4.229 0.079 1
1 128 . 19 1 1 A 11 11 TYR C C 11 178.986 177.138 1.848 1
1 129 . 19 1 1 A 11 11 TYR CA C 11 61.850 61.533 0.317 1
1 130 . 19 1 1 A 11 11 TYR CB C 11 38.653 38.640 0.013 1
1 135 . 19 1 1 A 11 11 TYR N N 11 120.419 121.292 -0.873 1
1 136 . 19 1 1 A 12 12 ILE H H 12 8.886 8.225 0.661 1
1 137 . 19 1 1 A 12 12 ILE HA H 12 3.700 3.271 0.429 1
1 147 . 19 1 1 A 12 12 ILE C C 12 179.352 177.788 1.564 1
1 148 . 19 1 1 A 12 12 ILE CA C 12 65.621 65.119 0.502 1
1 149 . 19 1 1 A 12 12 ILE CB C 12 38.203 37.808 0.395 1
1 153 . 19 1 1 A 12 12 ILE N N 12 119.720 121.394 -1.674 1
1 154 . 19 1 1 A 13 13 SER H H 13 8.740 7.962 0.778 1
1 155 . 19 1 1 A 13 13 SER HA H 13 4.753 4.080 0.673 1
1 158 . 19 1 1 A 13 13 SER C C 13 176.355 176.893 -0.538 1
1 159 . 19 1 1 A 13 13 SER CA C 13 62.551 61.489 1.062 1
1 160 . 19 1 1 A 13 13 SER CB C 13 62.468 63.066 -0.598 1
1 161 . 19 1 1 A 13 13 SER N N 13 116.217 116.754 -0.537 1
1 162 . 19 1 1 A 14 14 ASP H H 14 8.426 8.340 0.086 1
1 163 . 19 1 1 A 14 14 ASP HA H 14 4.438 4.371 0.067 1
1 166 . 19 1 1 A 14 14 ASP C C 14 176.838 177.658 -0.820 1
1 167 . 19 1 1 A 14 14 ASP CA C 14 55.988 57.026 -1.038 1
1 168 . 19 1 1 A 14 14 ASP CB C 14 40.500 40.985 -0.485 1
1 169 . 19 1 1 A 14 14 ASP N N 14 121.201 121.503 -0.302 1
1 170 . 19 1 1 A 15 15 HIS H H 15 7.530 7.249 0.281 1
1 171 . 19 1 1 A 15 15 HIS HA H 15 4.661 4.671 -0.010 1
1 176 . 19 1 1 A 15 15 HIS C C 15 175.451 175.603 -0.152 1
1 177 . 19 1 1 A 15 15 HIS CA C 15 55.320 55.465 -0.145 1
1 178 . 19 1 1 A 15 15 HIS CB C 15 28.275 29.232 -0.957 1
1 181 . 19 1 1 A 15 15 HIS N N 15 116.777 114.939 1.838 1
1 182 . 19 1 1 A 16 16 LEU H H 16 7.271 7.454 -0.183 1
1 183 . 19 1 1 A 16 16 LEU HA H 16 3.812 3.879 -0.067 1
1 193 . 19 1 1 A 16 16 LEU C C 16 176.627 178.302 -1.675 1
1 194 . 19 1 1 A 16 16 LEU CA C 16 58.076 57.748 0.328 1
1 195 . 19 1 1 A 16 16 LEU CB C 16 42.531 41.594 0.937 1
1 199 . 19 1 1 A 16 16 LEU N N 16 122.531 122.508 0.023 1
1 200 . 19 1 1 A 17 17 ALA H H 17 8.243 7.298 0.945 1
1 201 . 19 1 1 A 17 17 ALA HA H 17 3.937 4.387 -0.450 1
1 205 . 19 1 1 A 17 17 ALA C C 17 177.131 177.202 -0.071 1
1 206 . 19 1 1 A 17 17 ALA CA C 17 51.802 51.905 -0.103 1
1 207 . 19 1 1 A 17 17 ALA CB C 17 18.473 20.092 -1.619 1
1 208 . 19 1 1 A 17 17 ALA N N 17 116.354 119.429 -3.075 1
1 209 . 19 1 1 A 18 18 ASP H H 18 7.488 7.586 -0.098 1
1 210 . 19 1 1 A 18 18 ASP HA H 18 4.455 4.460 -0.005 1
1 213 . 19 1 1 A 18 18 ASP C C 18 177.370 177.130 0.240 1
1 214 . 19 1 1 A 18 18 ASP CA C 18 54.571 54.674 -0.103 1
1 215 . 19 1 1 A 18 18 ASP CB C 18 40.521 42.795 -2.274 1
1 216 . 19 1 1 A 18 18 ASP N N 18 119.230 118.868 0.362 1
1 217 . 19 1 1 A 19 19 SER H H 19 8.793 8.784 0.009 1
1 218 . 19 1 1 A 19 19 SER HA H 19 4.424 4.436 -0.012 1
1 221 . 19 1 1 A 19 19 SER C C 19 174.779 174.941 -0.162 1
1 222 . 19 1 1 A 19 19 SER CA C 19 59.706 61.005 -1.299 1
1 223 . 19 1 1 A 19 19 SER CB C 19 63.351 63.321 0.030 1
1 224 . 19 1 1 A 19 19 SER N N 19 119.892 119.549 0.343 1
1 225 . 19 1 1 A 20 20 ASN H H 20 8.520 8.007 0.513 1
1 226 . 19 1 1 A 20 20 ASN HA H 20 4.869 4.947 -0.078 1
1 231 . 19 1 1 A 20 20 ASN C C 20 173.838 174.541 -0.703 1
1 232 . 19 1 1 A 20 20 ASN CA C 20 52.586 53.449 -0.863 1
1 233 . 19 1 1 A 20 20 ASN CB C 20 38.799 38.621 0.178 1
1 235 . 19 1 1 A 20 20 ASN N N 20 119.769 119.138 0.631 1
1 237 . 19 1 1 A 21 21 PHE H H 21 8.082 8.977 -0.895 1
1 238 . 19 1 1 A 21 21 PHE HA H 21 4.397 5.275 -0.878 1
1 246 . 19 1 1 A 21 21 PHE C C 21 173.520 173.293 0.227 1
1 247 . 19 1 1 A 21 21 PHE CA C 21 58.672 56.289 2.383 1
1 248 . 19 1 1 A 21 21 PHE CB C 21 40.704 42.358 -1.654 1
1 254 . 19 1 1 A 21 21 PHE N N 21 121.875 125.939 -4.064 1
1 255 . 19 1 1 A 22 22 ASP H H 22 7.570 8.514 -0.944 1
1 256 . 19 1 1 A 22 22 ASP HA H 22 4.563 4.739 -0.176 1
1 259 . 19 1 1 A 22 22 ASP C C 22 175.674 175.783 -0.109 1
1 260 . 19 1 1 A 22 22 ASP CA C 22 52.049 52.171 -0.122 1
1 261 . 19 1 1 A 22 22 ASP CB C 22 43.023 42.153 0.870 1
1 262 . 19 1 1 A 22 22 ASP N N 22 126.780 127.679 -0.899 1
1 263 . 19 1 1 A 23 23 ILE H H 23 8.720 8.334 0.386 1
1 264 . 19 1 1 A 23 23 ILE HA H 23 3.555 3.596 -0.041 1
1 274 . 19 1 1 A 23 23 ILE C C 23 176.441 177.406 -0.965 1
1 275 . 19 1 1 A 23 23 ILE CA C 23 63.650 63.349 0.301 1
1 276 . 19 1 1 A 23 23 ILE CB C 23 37.741 37.778 -0.037 1
1 280 . 19 1 1 A 23 23 ILE N N 23 124.815 126.883 -2.068 1
1 281 . 19 1 1 A 24 24 ALA H H 24 8.543 8.126 0.417 1
1 282 . 19 1 1 A 24 24 ALA HA H 24 3.917 3.980 -0.063 1
1 286 . 19 1 1 A 24 24 ALA C C 24 180.227 179.674 0.553 1
1 287 . 19 1 1 A 24 24 ALA CA C 24 55.413 55.393 0.020 1
1 288 . 19 1 1 A 24 24 ALA CB C 24 17.760 18.056 -0.296 1
1 289 . 19 1 1 A 24 24 ALA N N 24 123.943 123.990 -0.047 1
1 290 . 19 1 1 A 25 25 SER H H 25 7.844 8.027 -0.183 1
1 291 . 19 1 1 A 25 25 SER HA H 25 4.246 4.090 0.156 1
1 293 . 19 1 1 A 25 25 SER C C 25 176.667 176.298 0.369 1
1 294 . 19 1 1 A 25 25 SER CA C 25 61.238 61.687 -0.449 1
1 295 . 19 1 1 A 25 25 SER CB C 25 62.402 62.967 -0.565 1
1 296 . 19 1 1 A 25 25 SER N N 25 114.143 113.379 0.764 1
1 297 . 19 1 1 A 26 26 VAL H H 26 7.086 7.917 -0.831 1
1 298 . 19 1 1 A 26 26 VAL HA H 26 3.198 3.735 -0.537 1
1 306 . 19 1 1 A 26 26 VAL C C 26 176.670 178.031 -1.361 1
1 307 . 19 1 1 A 26 26 VAL CA C 26 64.809 66.639 -1.830 1
1 308 . 19 1 1 A 26 26 VAL CB C 26 31.274 31.669 -0.395 1
1 311 . 19 1 1 A 26 26 VAL N N 26 122.369 122.185 0.184 1
1 312 . 19 1 1 A 27 27 ALA H H 27 8.043 7.851 0.192 1
1 313 . 19 1 1 A 27 27 ALA HA H 27 3.775 3.947 -0.172 1
1 317 . 19 1 1 A 27 27 ALA C C 27 178.948 179.308 -0.360 1
1 318 . 19 1 1 A 27 27 ALA CA C 27 55.507 55.548 -0.041 1
1 319 . 19 1 1 A 27 27 ALA CB C 27 17.412 17.675 -0.263 1
1 320 . 19 1 1 A 27 27 ALA N N 27 122.045 122.182 -0.137 1
1 321 . 19 1 1 A 28 28 GLN H H 28 8.089 7.825 0.264 1
1 322 . 19 1 1 A 28 28 GLN HA H 28 4.053 4.056 -0.003 1
1 329 . 19 1 1 A 28 28 GLN C C 28 179.289 178.447 0.842 1
1 330 . 19 1 1 A 28 28 GLN CA C 28 58.625 58.795 -0.170 1
1 331 . 19 1 1 A 28 28 GLN CB C 28 28.155 28.250 -0.095 1
1 334 . 19 1 1 A 28 28 GLN N N 28 116.168 118.519 -2.351 1
1 336 . 19 1 1 A 29 29 HIS H H 29 7.454 7.941 -0.487 1
1 337 . 19 1 1 A 29 29 HIS HA H 29 4.209 4.082 0.127 1
1 342 . 19 1 1 A 29 29 HIS C C 29 175.895 176.957 -1.062 1
1 343 . 19 1 1 A 29 29 HIS CA C 29 59.132 59.307 -0.175 1
1 344 . 19 1 1 A 29 29 HIS CB C 29 28.947 29.645 -0.698 1
1 347 . 19 1 1 A 29 29 HIS N N 29 118.117 120.036 -1.919 1
1 348 . 19 1 1 A 30 30 VAL H H 30 7.309 6.866 0.443 1
1 349 . 19 1 1 A 30 30 VAL HA H 30 4.441 4.063 0.378 1
1 357 . 19 1 1 A 30 30 VAL C C 30 173.598 174.458 -0.860 1
1 358 . 19 1 1 A 30 30 VAL CA C 30 59.948 60.695 -0.747 1
1 359 . 19 1 1 A 30 30 VAL CB C 30 31.067 31.134 -0.067 1
1 362 . 19 1 1 A 30 30 VAL N N 30 106.791 109.763 -2.972 1
1 363 . 19 1 1 A 31 31 CYS H H 31 7.837 8.017 -0.180 1
1 364 . 19 1 1 A 31 31 CYS HA H 31 3.929 4.106 -0.177 1
1 367 . 19 1 1 A 31 31 CYS C C 31 173.679 173.470 0.209 1
1 368 . 19 1 1 A 31 31 CYS CA C 31 59.814 60.418 -0.604 1
1 369 . 19 1 1 A 31 31 CYS CB C 31 24.898 25.995 -1.097 1
1 370 . 19 1 1 A 31 31 CYS N N 31 116.363 117.263 -0.900 1
1 371 . 19 1 1 A 32 32 LEU H H 32 8.061 7.569 0.492 1
1 372 . 19 1 1 A 32 32 LEU HA H 32 4.871 4.840 0.031 1
1 382 . 19 1 1 A 32 32 LEU C C 32 176.243 175.952 0.291 1
1 383 . 19 1 1 A 32 32 LEU CA C 32 52.555 53.328 -0.773 1
1 384 . 19 1 1 A 32 32 LEU CB C 32 48.238 46.365 1.873 1
1 388 . 19 1 1 A 32 32 LEU N N 32 118.159 120.620 -2.461 1
1 389 . 19 1 1 A 33 33 SER H H 33 8.221 8.738 -0.517 1
1 390 . 19 1 1 A 33 33 SER N N 33 116.259 117.155 -0.896 1
1 391 . 19 1 1 A 34 34 PRO HA H 34 3.951 4.369 -0.418 1
1 398 . 19 1 1 A 34 34 PRO C C 34 178.473 178.861 -0.388 1
1 399 . 19 1 1 A 34 34 PRO CA C 34 66.404 64.845 1.559 1
1 400 . 19 1 1 A 34 34 PRO CB C 34 31.712 32.059 -0.347 1
1 403 . 19 1 1 A 35 35 SER H H 35 8.343 8.367 -0.024 1
1 404 . 19 1 1 A 35 35 SER HA H 35 4.192 4.205 -0.013 1
1 406 . 19 1 1 A 35 35 SER C C 35 177.361 176.790 0.571 1
1 407 . 19 1 1 A 35 35 SER CA C 35 61.358 61.665 -0.307 1
1 408 . 19 1 1 A 35 35 SER CB C 35 62.140 62.835 -0.695 1
1 409 . 19 1 1 A 35 35 SER N N 35 111.653 114.403 -2.750 1
1 410 . 19 1 1 A 36 36 ARG H H 36 7.868 7.868 0.000 1
1 411 . 19 1 1 A 36 36 ARG HA H 36 4.243 4.108 0.135 1
1 418 . 19 1 1 A 36 36 ARG C C 36 178.850 179.146 -0.296 1
1 419 . 19 1 1 A 36 36 ARG CA C 36 58.714 58.872 -0.158 1
1 420 . 19 1 1 A 36 36 ARG CB C 36 29.804 29.992 -0.188 1
1 423 . 19 1 1 A 36 36 ARG N N 36 124.303 121.838 2.465 1
1 424 . 19 1 1 A 37 37 LEU H H 37 8.593 8.133 0.460 1
1 425 . 19 1 1 A 37 37 LEU HA H 37 4.052 4.157 -0.105 1
1 435 . 19 1 1 A 37 37 LEU C C 37 177.894 178.510 -0.616 1
1 436 . 19 1 1 A 37 37 LEU CA C 37 58.289 58.055 0.234 1
1 437 . 19 1 1 A 37 37 LEU CB C 37 40.775 41.616 -0.841 1
1 441 . 19 1 1 A 37 37 LEU N N 37 119.319 122.160 -2.841 1
1 442 . 19 1 1 A 38 38 SER H H 38 8.478 8.468 0.010 1
1 443 . 19 1 1 A 38 38 SER HA H 38 4.066 4.221 -0.155 1
1 444 . 19 1 1 A 38 38 SER C C 38 176.577 176.365 0.212 1
1 445 . 19 1 1 A 38 38 SER CA C 38 62.824 61.535 1.289 1
1 446 . 19 1 1 A 38 38 SER N N 38 113.612 115.146 -1.534 1
1 447 . 19 1 1 A 39 39 HIS H H 39 7.983 7.458 0.525 1
1 448 . 19 1 1 A 39 39 HIS HA H 39 4.403 4.275 0.128 1
1 453 . 19 1 1 A 39 39 HIS C C 39 177.138 176.779 0.359 1
1 454 . 19 1 1 A 39 39 HIS CA C 39 59.316 60.043 -0.727 1
1 455 . 19 1 1 A 39 39 HIS CB C 39 29.226 30.174 -0.948 1
1 458 . 19 1 1 A 39 39 HIS N N 39 119.938 121.935 -1.997 1
1 459 . 19 1 1 A 40 40 LEU H H 40 8.432 8.124 0.308 1
1 460 . 19 1 1 A 40 40 LEU HA H 40 4.045 4.001 0.044 1
1 470 . 19 1 1 A 40 40 LEU C C 40 178.876 179.114 -0.238 1
1 471 . 19 1 1 A 40 40 LEU CA C 40 57.990 57.792 0.198 1
1 472 . 19 1 1 A 40 40 LEU CB C 40 42.609 41.773 0.836 1
1 476 . 19 1 1 A 40 40 LEU N N 40 120.053 118.757 1.296 1
1 477 . 19 1 1 A 41 41 PHE H H 41 8.937 8.607 0.330 1
1 478 . 19 1 1 A 41 41 PHE HA H 41 3.736 3.963 -0.227 1
1 486 . 19 1 1 A 41 41 PHE C C 41 178.022 178.309 -0.287 1
1 487 . 19 1 1 A 41 41 PHE CA C 41 62.523 61.703 0.820 1
1 488 . 19 1 1 A 41 41 PHE CB C 41 39.534 39.054 0.480 1
1 494 . 19 1 1 A 41 41 PHE N N 41 120.491 119.433 1.058 1
1 495 . 19 1 1 A 42 42 ARG H H 42 8.009 8.695 -0.686 1
1 496 . 19 1 1 A 42 42 ARG HA H 42 4.021 4.441 -0.420 1
1 502 . 19 1 1 A 42 42 ARG C C 42 179.850 178.697 1.153 1
1 503 . 19 1 1 A 42 42 ARG CA C 42 59.243 59.174 0.069 1
1 504 . 19 1 1 A 42 42 ARG CB C 42 29.748 29.649 0.099 1
1 507 . 19 1 1 A 42 42 ARG N N 42 117.688 118.179 -0.491 1
1 508 . 19 1 1 A 43 43 GLN H H 43 8.286 7.705 0.581 1
1 509 . 19 1 1 A 43 43 GLN HA H 43 4.006 3.977 0.029 1
1 516 . 19 1 1 A 43 43 GLN C C 43 177.917 178.247 -0.330 1
1 517 . 19 1 1 A 43 43 GLN CA C 43 58.715 58.869 -0.154 1
1 518 . 19 1 1 A 43 43 GLN CB C 43 29.345 28.617 0.728 1
1 521 . 19 1 1 A 43 43 GLN N N 43 118.179 119.492 -1.313 1
1 523 . 19 1 1 A 44 44 GLN H H 44 8.296 8.147 0.149 1
1 524 . 19 1 1 A 44 44 GLN HA H 44 4.208 4.108 0.100 1
1 531 . 19 1 1 A 44 44 GLN C C 44 177.314 177.357 -0.043 1
1 532 . 19 1 1 A 44 44 GLN CA C 44 57.913 58.120 -0.207 1
1 533 . 19 1 1 A 44 44 GLN CB C 44 29.027 28.683 0.344 1
1 536 . 19 1 1 A 44 44 GLN N N 44 114.928 118.038 -3.110 1
1 538 . 19 1 1 A 45 45 LEU H H 45 8.463 7.983 0.480 1
1 539 . 19 1 1 A 45 45 LEU HA H 45 4.567 4.272 0.295 1
1 549 . 19 1 1 A 45 45 LEU C C 45 178.381 177.298 1.083 1
1 550 . 19 1 1 A 45 45 LEU CA C 45 54.564 55.122 -0.558 1
1 551 . 19 1 1 A 45 45 LEU CB C 45 43.031 42.447 0.584 1
1 555 . 19 1 1 A 45 45 LEU N N 45 117.028 117.319 -0.291 1
1 556 . 19 1 1 A 46 46 GLY H H 46 7.852 9.233 -1.381 1
1 557 . 19 1 1 A 46 46 GLY HA2 H 46 4.005 3.859 0.146 1
1 558 . 19 1 1 A 46 46 GLY HA3 H 46 4.167 3.873 0.294 1
1 559 . 19 1 1 A 46 46 GLY C C 46 173.114 173.378 -0.264 1
1 560 . 19 1 1 A 46 46 GLY CA C 46 46.080 45.597 0.483 1
1 561 . 19 1 1 A 46 46 GLY N N 46 108.569 107.835 0.734 1
1 562 . 19 1 1 A 47 47 ILE H H 47 7.281 7.535 -0.254 1
1 563 . 19 1 1 A 47 47 ILE HA H 47 4.735 4.867 -0.132 1
1 573 . 19 1 1 A 47 47 ILE C C 47 172.231 174.261 -2.030 1
1 574 . 19 1 1 A 47 47 ILE CA C 47 59.240 58.847 0.393 1
1 575 . 19 1 1 A 47 47 ILE CB C 47 42.470 41.933 0.537 1
1 579 . 19 1 1 A 47 47 ILE N N 47 115.396 115.819 -0.423 1
1 580 . 19 1 1 A 48 48 SER H H 48 8.298 8.767 -0.469 1
1 581 . 19 1 1 A 48 48 SER HA H 48 4.725 4.655 0.070 1
1 584 . 19 1 1 A 48 48 SER C C 48 174.600 175.920 -1.320 1
1 585 . 19 1 1 A 48 48 SER CA C 48 57.092 58.444 -1.352 1
1 586 . 19 1 1 A 48 48 SER CB C 48 65.286 64.044 1.242 1
1 587 . 19 1 1 A 48 48 SER N N 48 115.685 119.336 -3.651 1
1 588 . 19 1 1 A 49 49 VAL H H 49 8.296 8.809 -0.513 1
1 589 . 19 1 1 A 49 49 VAL HA H 49 3.081 3.897 -0.816 1
1 597 . 19 1 1 A 49 49 VAL C C 49 177.888 177.435 0.453 1
1 598 . 19 1 1 A 49 49 VAL CA C 49 65.881 67.423 -1.542 1
1 599 . 19 1 1 A 49 49 VAL CB C 49 31.149 31.484 -0.335 1
1 602 . 19 1 1 A 49 49 VAL N N 49 120.175 124.258 -4.083 1
1 603 . 19 1 1 A 50 50 LEU H H 50 8.138 8.318 -0.180 1
1 604 . 19 1 1 A 50 50 LEU HA H 50 4.011 4.002 0.009 1
1 614 . 19 1 1 A 50 50 LEU C C 50 180.412 179.320 1.092 1
1 615 . 19 1 1 A 50 50 LEU CA C 50 57.962 58.142 -0.180 1
1 616 . 19 1 1 A 50 50 LEU CB C 50 41.224 41.135 0.089 1
1 620 . 19 1 1 A 50 50 LEU N N 50 116.998 120.578 -3.580 1
1 621 . 19 1 1 A 51 51 SER H H 51 8.087 7.969 0.118 1
1 622 . 19 1 1 A 51 51 SER HA H 51 4.279 4.204 0.075 1
1 624 . 19 1 1 A 51 51 SER C C 51 176.081 176.008 0.073 1
1 625 . 19 1 1 A 51 51 SER CA C 51 62.174 62.684 -0.510 1
1 626 . 19 1 1 A 51 51 SER N N 51 117.207 113.897 3.310 1
1 627 . 19 1 1 A 52 52 TRP H H 52 8.913 8.289 0.624 1
1 628 . 19 1 1 A 52 52 TRP HA H 52 4.067 4.231 -0.164 1
1 637 . 19 1 1 A 52 52 TRP C C 52 178.579 177.970 0.609 1
1 638 . 19 1 1 A 52 52 TRP CA C 52 63.288 61.152 2.136 1
1 639 . 19 1 1 A 52 52 TRP CB C 52 29.159 29.862 -0.703 1
1 645 . 19 1 1 A 52 52 TRP N N 52 124.958 124.283 0.675 1
1 647 . 19 1 1 A 53 53 ARG H H 53 8.547 8.854 -0.307 1
1 648 . 19 1 1 A 53 53 ARG HA H 53 3.578 3.726 -0.148 1
1 654 . 19 1 1 A 53 53 ARG C C 53 177.290 178.864 -1.574 1
1 655 . 19 1 1 A 53 53 ARG CA C 53 60.443 59.613 0.830 1
1 656 . 19 1 1 A 53 53 ARG CB C 53 30.001 29.881 0.120 1
1 659 . 19 1 1 A 53 53 ARG N N 53 118.356 119.029 -0.673 1
1 660 . 19 1 1 A 54 54 GLU H H 54 8.002 7.658 0.344 1
1 661 . 19 1 1 A 54 54 GLU HA H 54 4.016 4.109 -0.093 1
1 666 . 19 1 1 A 54 54 GLU C C 54 178.460 178.475 -0.015 1
1 667 . 19 1 1 A 54 54 GLU CA C 54 59.982 59.470 0.512 1
1 668 . 19 1 1 A 54 54 GLU CB C 54 29.759 29.296 0.463 1
1 670 . 19 1 1 A 54 54 GLU N N 54 118.818 119.011 -0.193 1
1 671 . 19 1 1 A 55 55 ASP H H 55 8.111 8.283 -0.172 1
1 672 . 19 1 1 A 55 55 ASP HA H 55 4.289 4.249 0.040 1
1 675 . 19 1 1 A 55 55 ASP C C 55 179.313 178.521 0.792 1
1 676 . 19 1 1 A 55 55 ASP CA C 55 57.131 57.355 -0.224 1
1 677 . 19 1 1 A 55 55 ASP CB C 55 40.227 40.929 -0.702 1
1 678 . 19 1 1 A 55 55 ASP N N 55 119.156 119.977 -0.821 1
1 679 . 19 1 1 A 56 56 GLN H H 56 8.099 7.718 0.381 1
1 680 . 19 1 1 A 56 56 GLN HA H 56 3.781 3.758 0.023 1
1 687 . 19 1 1 A 56 56 GLN C C 56 178.700 178.766 -0.066 1
1 688 . 19 1 1 A 56 56 GLN CA C 56 57.487 58.633 -1.146 1
1 689 . 19 1 1 A 56 56 GLN CB C 56 27.430 27.931 -0.501 1
1 692 . 19 1 1 A 56 56 GLN N N 56 119.807 117.844 1.963 1
1 694 . 19 1 1 A 57 57 ARG H H 57 8.240 7.782 0.458 1
1 695 . 19 1 1 A 57 57 ARG HA H 57 3.898 3.974 -0.076 1
1 702 . 19 1 1 A 57 57 ARG C C 57 178.185 178.662 -0.477 1
1 703 . 19 1 1 A 57 57 ARG CA C 57 60.671 58.755 1.916 1
1 704 . 19 1 1 A 57 57 ARG CB C 57 31.221 29.847 1.374 1
1 707 . 19 1 1 A 57 57 ARG N N 57 120.129 118.354 1.775 1
1 708 . 19 1 1 A 58 58 ILE H H 58 7.885 8.040 -0.155 1
1 709 . 19 1 1 A 58 58 ILE HA H 58 3.978 3.885 0.093 1
1 719 . 19 1 1 A 58 58 ILE C C 58 178.357 178.065 0.292 1
1 720 . 19 1 1 A 58 58 ILE CA C 58 61.684 64.371 -2.687 1
1 721 . 19 1 1 A 58 58 ILE CB C 58 34.538 36.761 -2.223 1
1 725 . 19 1 1 A 58 58 ILE N N 58 118.096 121.093 -2.997 1
1 726 . 19 1 1 A 59 59 SER H H 59 8.563 8.150 0.413 1
1 727 . 19 1 1 A 59 59 SER HA H 59 4.010 4.120 -0.110 1
1 728 . 19 1 1 A 59 59 SER C C 59 177.731 177.086 0.645 1
1 729 . 19 1 1 A 59 59 SER CA C 59 62.459 61.360 1.099 1
1 730 . 19 1 1 A 59 59 SER N N 59 117.208 117.056 0.152 1
1 731 . 19 1 1 A 60 60 GLN H H 60 8.471 7.605 0.866 1
1 732 . 19 1 1 A 60 60 GLN HA H 60 4.228 4.003 0.225 1
1 739 . 19 1 1 A 60 60 GLN C C 60 177.958 177.598 0.360 1
1 740 . 19 1 1 A 60 60 GLN CA C 60 58.233 58.446 -0.213 1
1 741 . 19 1 1 A 60 60 GLN CB C 60 27.288 28.581 -1.293 1
1 744 . 19 1 1 A 60 60 GLN N N 60 121.780 120.438 1.342 1
1 746 . 19 1 1 A 61 61 ALA H H 61 8.504 7.921 0.583 1
1 747 . 19 1 1 A 61 61 ALA HA H 61 3.947 3.912 0.035 1
1 751 . 19 1 1 A 61 61 ALA C C 61 179.360 179.514 -0.154 1
1 752 . 19 1 1 A 61 61 ALA CA C 61 55.413 55.074 0.339 1
1 753 . 19 1 1 A 61 61 ALA CB C 61 18.124 18.306 -0.182 1
1 754 . 19 1 1 A 61 61 ALA N N 61 122.352 122.310 0.042 1
1 755 . 19 1 1 A 62 62 LYS H H 62 8.776 7.838 0.938 1
1 756 . 19 1 1 A 62 62 LYS HA H 62 3.722 4.040 -0.318 1
1 765 . 19 1 1 A 62 62 LYS C C 62 179.330 179.537 -0.207 1
1 766 . 19 1 1 A 62 62 LYS CA C 62 60.632 59.722 0.910 1
1 767 . 19 1 1 A 62 62 LYS CB C 62 32.580 32.083 0.497 1
1 771 . 19 1 1 A 62 62 LYS N N 62 117.072 118.197 -1.125 1
1 772 . 19 1 1 A 63 63 LEU H H 63 7.670 7.654 0.016 1
1 773 . 19 1 1 A 63 63 LEU HA H 63 4.233 4.006 0.227 1
1 783 . 19 1 1 A 63 63 LEU C C 63 180.902 178.313 2.589 1
1 784 . 19 1 1 A 63 63 LEU CA C 63 58.446 58.026 0.420 1
1 785 . 19 1 1 A 63 63 LEU CB C 63 41.598 41.870 -0.272 1
1 789 . 19 1 1 A 63 63 LEU N N 63 121.196 121.759 -0.563 1
1 790 . 19 1 1 A 64 64 LEU H H 64 8.585 8.260 0.325 1
1 791 . 19 1 1 A 64 64 LEU HA H 64 4.088 3.979 0.109 1
1 801 . 19 1 1 A 64 64 LEU C C 64 180.869 179.201 1.668 1
1 802 . 19 1 1 A 64 64 LEU CA C 64 57.782 58.008 -0.226 1
1 803 . 19 1 1 A 64 64 LEU CB C 64 42.760 41.037 1.723 1
1 807 . 19 1 1 A 64 64 LEU N N 64 121.842 117.198 4.644 1
1 808 . 19 1 1 A 65 65 LEU H H 65 9.100 8.220 0.880 1
1 809 . 19 1 1 A 65 65 LEU HA H 65 4.346 4.198 0.148 1
1 819 . 19 1 1 A 65 65 LEU C C 65 178.659 178.713 -0.054 1
1 820 . 19 1 1 A 65 65 LEU CA C 65 57.408 57.573 -0.165 1
1 821 . 19 1 1 A 65 65 LEU CB C 65 43.013 40.742 2.271 1
1 825 . 19 1 1 A 65 65 LEU N N 65 119.872 119.948 -0.076 1
1 826 . 19 1 1 A 66 66 SER H H 66 8.303 7.756 0.547 1
1 827 . 19 1 1 A 66 66 SER HA H 66 4.211 4.288 -0.077 1
1 829 . 19 1 1 A 66 66 SER C C 66 176.580 175.862 0.718 1
1 830 . 19 1 1 A 66 66 SER CA C 66 60.155 60.711 -0.556 1
1 831 . 19 1 1 A 66 66 SER CB C 66 65.198 62.902 2.296 1
1 832 . 19 1 1 A 66 66 SER N N 66 110.490 114.386 -3.896 1
1 833 . 19 1 1 A 67 67 THR H H 67 7.901 7.907 -0.006 1
1 834 . 19 1 1 A 67 67 THR HA H 67 4.812 4.529 0.283 1
1 839 . 19 1 1 A 67 67 THR C C 67 174.240 173.989 0.251 1
1 840 . 19 1 1 A 67 67 THR CA C 67 62.400 61.631 0.769 1
1 841 . 19 1 1 A 67 67 THR CB C 67 71.512 70.274 1.238 1
1 843 . 19 1 1 A 67 67 THR N N 67 108.414 113.797 -5.383 1
1 844 . 19 1 1 A 68 68 THR H H 68 7.507 7.329 0.178 1
1 845 . 19 1 1 A 68 68 THR HA H 68 5.096 4.789 0.307 1
1 850 . 19 1 1 A 68 68 THR C C 68 174.263 174.032 0.231 1
1 851 . 19 1 1 A 68 68 THR CA C 68 60.124 59.489 0.635 1
1 852 . 19 1 1 A 68 68 THR CB C 68 72.795 71.924 0.871 1
1 854 . 19 1 1 A 68 68 THR N N 68 111.673 111.692 -0.019 1
1 855 . 19 1 1 A 69 69 ARG H H 69 8.767 8.375 0.392 1
1 856 . 19 1 1 A 69 69 ARG HA H 69 4.422 4.665 -0.243 1
1 863 . 19 1 1 A 69 69 ARG C C 69 176.568 176.711 -0.143 1
1 864 . 19 1 1 A 69 69 ARG CA C 69 53.692 55.168 -1.476 1
1 865 . 19 1 1 A 69 69 ARG CB C 69 28.814 30.674 -1.860 1
1 868 . 19 1 1 A 69 69 ARG N N 69 118.034 119.350 -1.316 1
1 869 . 19 1 1 A 70 70 MET H H 70 7.996 7.517 0.479 1
1 870 . 19 1 1 A 70 70 MET HA H 70 4.470 4.518 -0.048 1
1 878 . 19 1 1 A 70 70 MET CA C 70 55.386 55.268 0.118 1
1 879 . 19 1 1 A 70 70 MET CB C 70 34.080 32.488 1.592 1
1 882 . 19 1 1 A 70 70 MET N N 70 122.491 121.329 1.162 1
1 883 . 19 1 1 A 71 71 PRO HA H 71 4.574 4.518 0.056 1
1 890 . 19 1 1 A 71 71 PRO C C 71 177.204 177.090 0.114 1
1 891 . 19 1 1 A 71 71 PRO CA C 71 62.915 62.420 0.495 1
1 892 . 19 1 1 A 71 71 PRO CB C 71 32.380 32.952 -0.572 1
1 895 . 19 1 1 A 72 72 ILE H H 72 8.782 8.395 0.387 1
1 896 . 19 1 1 A 72 72 ILE HA H 72 3.407 3.798 -0.391 1
1 906 . 19 1 1 A 72 72 ILE C C 72 177.760 178.182 -0.422 1
1 907 . 19 1 1 A 72 72 ILE CA C 72 65.627 64.568 1.059 1
1 908 . 19 1 1 A 72 72 ILE CB C 72 36.771 37.646 -0.875 1
1 912 . 19 1 1 A 72 72 ILE N N 72 124.417 122.384 2.033 1
1 913 . 19 1 1 A 73 73 ALA H H 73 9.109 8.117 0.992 1
1 914 . 19 1 1 A 73 73 ALA HA H 73 3.974 4.063 -0.089 1
1 918 . 19 1 1 A 73 73 ALA C C 73 180.248 179.700 0.548 1
1 919 . 19 1 1 A 73 73 ALA CA C 73 55.232 55.245 -0.013 1
1 920 . 19 1 1 A 73 73 ALA CB C 73 18.338 18.237 0.101 1
1 921 . 19 1 1 A 73 73 ALA N N 73 119.077 123.727 -4.650 1
1 922 . 19 1 1 A 74 74 THR H H 74 7.112 7.946 -0.834 1
1 923 . 19 1 1 A 74 74 THR HA H 74 3.875 3.946 -0.071 1
1 928 . 19 1 1 A 74 74 THR C C 74 175.761 176.431 -0.670 1
1 929 . 19 1 1 A 74 74 THR CA C 74 65.841 66.567 -0.726 1
1 930 . 19 1 1 A 74 74 THR CB C 74 68.248 67.993 0.255 1
1 932 . 19 1 1 A 74 74 THR N N 74 114.866 114.742 0.124 1
1 933 . 19 1 1 A 75 75 VAL H H 75 8.087 8.122 -0.035 1
1 934 . 19 1 1 A 75 75 VAL HA H 75 3.305 3.469 -0.164 1
1 942 . 19 1 1 A 75 75 VAL C C 75 177.048 177.496 -0.448 1
1 943 . 19 1 1 A 75 75 VAL CA C 75 67.681 66.406 1.275 1
1 944 . 19 1 1 A 75 75 VAL CB C 75 30.831 31.157 -0.326 1
1 947 . 19 1 1 A 75 75 VAL N N 75 123.901 121.495 2.406 1
1 948 . 19 1 1 A 76 76 GLY H H 76 7.673 7.964 -0.291 1
1 949 . 19 1 1 A 76 76 GLY HA2 H 76 2.235 3.256 -1.021 1
1 950 . 19 1 1 A 76 76 GLY HA3 H 76 3.003 3.647 -0.644 1
1 951 . 19 1 1 A 76 76 GLY C C 76 176.562 175.677 0.885 1
1 952 . 19 1 1 A 76 76 GLY CA C 76 46.293 46.869 -0.576 1
1 953 . 19 1 1 A 76 76 GLY N N 76 102.438 107.368 -4.930 1
1 954 . 19 1 1 A 77 77 ARG H H 77 7.760 7.515 0.245 1
1 955 . 19 1 1 A 77 77 ARG HA H 77 3.982 4.017 -0.035 1
1 962 . 19 1 1 A 77 77 ARG C C 77 180.332 178.648 1.684 1
1 963 . 19 1 1 A 77 77 ARG CA C 77 59.550 59.292 0.258 1
1 964 . 19 1 1 A 77 77 ARG CB C 77 30.085 30.065 0.020 1
1 967 . 19 1 1 A 77 77 ARG N N 77 122.228 121.729 0.499 1
1 968 . 19 1 1 A 78 78 ASN H H 78 8.230 7.718 0.512 1
1 969 . 19 1 1 A 78 78 ASN HA H 78 4.397 4.462 -0.065 1
1 974 . 19 1 1 A 78 78 ASN C C 78 176.105 176.962 -0.857 1
1 975 . 19 1 1 A 78 78 ASN CA C 78 55.615 55.968 -0.353 1
1 976 . 19 1 1 A 78 78 ASN CB C 78 38.806 38.416 0.390 1
1 978 . 19 1 1 A 78 78 ASN N N 78 119.139 117.293 1.846 1
1 980 . 19 1 1 A 79 79 VAL H H 79 7.323 7.162 0.161 1
1 981 . 19 1 1 A 79 79 VAL HA H 79 4.438 4.376 0.062 1
1 989 . 19 1 1 A 79 79 VAL C C 79 174.220 175.798 -1.578 1
1 990 . 19 1 1 A 79 79 VAL CA C 79 59.911 60.637 -0.726 1
1 991 . 19 1 1 A 79 79 VAL CB C 79 31.400 30.917 0.483 1
1 994 . 19 1 1 A 79 79 VAL N N 79 108.664 110.989 -2.325 1
1 995 . 19 1 1 A 80 80 GLY H H 80 7.286 7.787 -0.501 1
1 996 . 19 1 1 A 80 80 GLY HA2 H 80 3.540 3.966 -0.426 1
1 997 . 19 1 1 A 80 80 GLY HA3 H 80 4.023 4.008 0.015 1
1 998 . 19 1 1 A 80 80 GLY C C 80 174.383 174.758 -0.375 1
1 999 . 19 1 1 A 80 80 GLY CA C 80 45.739 45.993 -0.254 1
1 1000 . 19 1 1 A 80 80 GLY N N 80 104.635 110.101 -5.466 1
1 1001 . 19 1 1 A 81 81 PHE H H 81 8.535 8.224 0.311 1
1 1002 . 19 1 1 A 81 81 PHE HA H 81 4.845 4.495 0.350 1
1 1010 . 19 1 1 A 81 81 PHE C C 81 174.570 176.061 -1.491 1
1 1011 . 19 1 1 A 81 81 PHE CA C 81 56.375 58.874 -2.499 1
1 1012 . 19 1 1 A 81 81 PHE CB C 81 39.941 38.694 1.247 1
1 1018 . 19 1 1 A 81 81 PHE N N 81 119.772 119.500 0.272 1
1 1019 . 19 1 1 A 82 82 ASP H H 82 8.564 8.871 -0.307 1
1 1020 . 19 1 1 A 82 82 ASP HA H 82 4.491 4.581 -0.090 1
1 1023 . 19 1 1 A 82 82 ASP C C 82 175.170 176.133 -0.963 1
1 1024 . 19 1 1 A 82 82 ASP CA C 82 55.195 55.664 -0.469 1
1 1025 . 19 1 1 A 82 82 ASP CB C 82 41.010 41.215 -0.205 1
1 1026 . 19 1 1 A 82 82 ASP N N 82 123.028 123.737 -0.709 1
1 1027 . 19 1 1 A 83 83 ASP H H 83 7.789 7.921 -0.132 1
1 1028 . 19 1 1 A 83 83 ASP HA H 83 4.947 4.989 -0.042 1
1 1031 . 19 1 1 A 83 83 ASP C C 83 176.347 177.008 -0.661 1
1 1032 . 19 1 1 A 83 83 ASP CA C 83 52.690 53.913 -1.223 1
1 1033 . 19 1 1 A 83 83 ASP CB C 83 43.152 42.189 0.963 1
1 1034 . 19 1 1 A 83 83 ASP N N 83 118.576 119.713 -1.137 1
1 1035 . 19 1 1 A 84 84 GLN H H 84 9.104 8.774 0.330 1
1 1036 . 19 1 1 A 84 84 GLN HA H 84 4.333 4.207 0.126 1
1 1043 . 19 1 1 A 84 84 GLN C C 84 177.986 178.112 -0.126 1
1 1044 . 19 1 1 A 84 84 GLN CA C 84 58.909 58.612 0.297 1
1 1045 . 19 1 1 A 84 84 GLN CB C 84 28.267 27.961 0.306 1
1 1048 . 19 1 1 A 84 84 GLN N N 84 126.543 124.563 1.980 1
1 1050 . 19 1 1 A 85 85 LEU H H 85 8.419 8.148 0.271 1
1 1051 . 19 1 1 A 85 85 LEU HA H 85 4.210 4.212 -0.002 1
1 1061 . 19 1 1 A 85 85 LEU C C 85 179.472 179.032 0.440 1
1 1062 . 19 1 1 A 85 85 LEU CA C 85 57.958 57.732 0.226 1
1 1063 . 19 1 1 A 85 85 LEU CB C 85 40.678 42.117 -1.439 1
1 1067 . 19 1 1 A 85 85 LEU N N 85 123.486 121.637 1.849 1
1 1068 . 19 1 1 A 86 86 TYR H H 86 8.042 8.573 -0.531 1
1 1069 . 19 1 1 A 86 86 TYR HA H 86 4.288 4.185 0.103 1
1 1076 . 19 1 1 A 86 86 TYR C C 86 177.195 177.746 -0.551 1
1 1077 . 19 1 1 A 86 86 TYR CA C 86 60.367 61.664 -1.297 1
1 1078 . 19 1 1 A 86 86 TYR CB C 86 38.184 38.573 -0.389 1
1 1083 . 19 1 1 A 86 86 TYR N N 86 122.679 120.054 2.625 1
1 1084 . 19 1 1 A 87 87 PHE H H 87 8.219 8.154 0.065 1
1 1085 . 19 1 1 A 87 87 PHE HA H 87 3.261 4.033 -0.772 1
1 1093 . 19 1 1 A 87 87 PHE C C 87 175.875 177.772 -1.897 1
1 1094 . 19 1 1 A 87 87 PHE CA C 87 58.536 62.139 -3.603 1
1 1095 . 19 1 1 A 87 87 PHE CB C 87 38.124 39.236 -1.112 1
1 1101 . 19 1 1 A 87 87 PHE N N 87 116.536 121.191 -4.655 1
1 1102 . 19 1 1 A 88 88 SER H H 88 8.082 8.262 -0.180 1
1 1103 . 19 1 1 A 88 88 SER HA H 88 3.951 3.973 -0.022 1
1 1105 . 19 1 1 A 88 88 SER C C 88 175.926 177.080 -1.154 1
1 1106 . 19 1 1 A 88 88 SER CA C 88 62.398 61.576 0.822 1
1 1107 . 19 1 1 A 88 88 SER N N 88 112.937 113.650 -0.713 1
1 1108 . 19 1 1 A 89 89 ARG H H 89 7.843 8.163 -0.320 1
1 1109 . 19 1 1 A 89 89 ARG HA H 89 3.975 4.125 -0.150 1
1 1116 . 19 1 1 A 89 89 ARG C C 89 179.414 178.891 0.523 1
1 1117 . 19 1 1 A 89 89 ARG CA C 89 59.452 59.250 0.202 1
1 1118 . 19 1 1 A 89 89 ARG CB C 89 30.242 30.090 0.152 1
1 1121 . 19 1 1 A 89 89 ARG N N 89 121.621 122.248 -0.627 1
1 1122 . 19 1 1 A 90 90 VAL H H 90 8.235 7.840 0.395 1
1 1123 . 19 1 1 A 90 90 VAL HA H 90 3.530 3.577 -0.047 1
1 1131 . 19 1 1 A 90 90 VAL C C 90 177.752 178.013 -0.261 1
1 1132 . 19 1 1 A 90 90 VAL CA C 90 66.208 66.253 -0.045 1
1 1133 . 19 1 1 A 90 90 VAL CB C 90 31.649 31.865 -0.216 1
1 1136 . 19 1 1 A 90 90 VAL N N 90 122.095 119.934 2.161 1
1 1137 . 19 1 1 A 91 91 PHE H H 91 8.763 8.607 0.156 1
1 1138 . 19 1 1 A 91 91 PHE HA H 91 3.584 3.871 -0.287 1
1 1141 . 19 1 1 A 91 91 PHE C C 91 178.386 177.325 1.061 1
1 1142 . 19 1 1 A 91 91 PHE CA C 91 62.523 60.414 2.109 1
1 1143 . 19 1 1 A 91 91 PHE CB C 91 39.528 38.288 1.240 1
1 1144 . 19 1 1 A 91 91 PHE N N 91 121.769 120.038 1.731 1
1 1145 . 19 1 1 A 92 92 LYS H H 92 8.237 8.417 -0.180 1
1 1146 . 19 1 1 A 92 92 LYS HA H 92 4.217 4.225 -0.008 1
1 1153 . 19 1 1 A 92 92 LYS C C 92 179.621 179.335 0.286 1
1 1154 . 19 1 1 A 92 92 LYS CA C 92 58.597 60.026 -1.429 1
1 1155 . 19 1 1 A 92 92 LYS CB C 92 32.290 32.621 -0.331 1
1 1159 . 19 1 1 A 92 92 LYS N N 92 121.441 118.234 3.207 1
1 1160 . 19 1 1 A 93 93 LYS H H 93 8.013 7.600 0.413 1
1 1161 . 19 1 1 A 93 93 LYS HA H 93 3.956 4.064 -0.108 1
1 1169 . 19 1 1 A 93 93 LYS C C 93 178.611 179.372 -0.761 1
1 1170 . 19 1 1 A 93 93 LYS CA C 93 59.356 58.984 0.372 1
1 1171 . 19 1 1 A 93 93 LYS CB C 93 31.785 31.744 0.041 1
1 1175 . 19 1 1 A 93 93 LYS N N 93 122.286 118.274 4.012 1
1 1176 . 19 1 1 A 94 94 CYS H H 94 7.818 7.786 0.032 1
1 1177 . 19 1 1 A 94 94 CYS HA H 94 4.224 3.927 0.297 1
1 1180 . 19 1 1 A 94 94 CYS C C 94 176.440 175.960 0.480 1
1 1181 . 19 1 1 A 94 94 CYS CA C 94 62.517 62.374 0.143 1
1 1182 . 19 1 1 A 94 94 CYS CB C 94 28.104 26.295 1.809 1
1 1183 . 19 1 1 A 94 94 CYS N N 94 113.581 118.826 -5.245 1
1 1184 . 19 1 1 A 95 95 THR H H 95 8.038 7.105 0.933 1
1 1185 . 19 1 1 A 95 95 THR HA H 95 4.397 4.352 0.045 1
1 1190 . 19 1 1 A 95 95 THR C C 95 176.237 175.800 0.437 1
1 1191 . 19 1 1 A 95 95 THR CA C 95 62.507 61.702 0.805 1
1 1192 . 19 1 1 A 95 95 THR CB C 95 71.481 70.449 1.032 1
1 1194 . 19 1 1 A 95 95 THR N N 95 106.903 108.248 -1.345 1
1 1195 . 19 1 1 A 96 96 GLY H H 96 8.526 8.784 -0.258 1
1 1196 . 19 1 1 A 96 96 GLY HA2 H 96 3.724 3.837 -0.113 1
1 1197 . 19 1 1 A 96 96 GLY HA3 H 96 4.374 3.848 0.526 1
1 1198 . 19 1 1 A 96 96 GLY C C 96 172.550 173.336 -0.786 1
1 1199 . 19 1 1 A 96 96 GLY CA C 96 45.264 45.231 0.033 1
1 1200 . 19 1 1 A 96 96 GLY N N 96 112.762 111.608 1.154 1
1 1201 . 19 1 1 A 97 97 ALA H H 97 8.560 6.986 1.574 1
1 1202 . 19 1 1 A 97 97 ALA HA H 97 4.841 4.813 0.028 1
1 1206 . 19 1 1 A 97 97 ALA C C 97 175.280 176.234 -0.954 1
1 1207 . 19 1 1 A 97 97 ALA CA C 97 50.176 51.053 -0.877 1
1 1208 . 19 1 1 A 97 97 ALA CB C 97 22.551 22.956 -0.405 1
1 1209 . 19 1 1 A 97 97 ALA N N 97 125.656 120.883 4.773 1
1 1210 . 19 1 1 A 98 98 SER H H 98 8.817 8.641 0.176 1
1 1211 . 19 1 1 A 98 98 SER HA H 98 4.656 4.797 -0.141 1
1 1212 . 19 1 1 A 98 98 SER CA C 98 56.612 56.897 -0.285 1
1 1213 . 19 1 1 A 98 98 SER N N 98 114.919 115.177 -0.258 1
1 1214 . 19 1 1 A 99 99 PRO HA H 99 3.500 4.437 -0.937 1
1 1220 . 19 1 1 A 99 99 PRO C C 99 177.585 178.108 -0.523 1
1 1221 . 19 1 1 A 99 99 PRO CA C 99 66.202 64.630 1.572 1
1 1222 . 19 1 1 A 99 99 PRO CB C 99 32.030 31.781 0.249 1
1 1225 . 19 1 1 A 100 100 SER H H 100 8.254 8.264 -0.010 1
1 1226 . 19 1 1 A 100 100 SER HA H 100 4.029 4.260 -0.231 1
1 1227 . 19 1 1 A 100 100 SER C C 100 177.441 176.846 0.595 1
1 1228 . 19 1 1 A 100 100 SER CA C 100 61.891 61.031 0.860 1
1 1229 . 19 1 1 A 100 100 SER N N 100 111.230 112.298 -1.068 1
1 1230 . 19 1 1 A 101 101 GLU H H 101 7.848 7.925 -0.077 1
1 1231 . 19 1 1 A 101 101 GLU HA H 101 4.021 4.080 -0.059 1
1 1236 . 19 1 1 A 101 101 GLU C C 101 179.288 178.766 0.522 1
1 1237 . 19 1 1 A 101 101 GLU CA C 101 58.822 59.379 -0.557 1
1 1238 . 19 1 1 A 101 101 GLU CB C 101 29.846 29.587 0.259 1
1 1240 . 19 1 1 A 101 101 GLU N N 101 125.150 122.439 2.711 1
1 1241 . 19 1 1 A 102 102 PHE H H 102 8.923 8.129 0.794 1
1 1242 . 19 1 1 A 102 102 PHE HA H 102 4.155 4.174 -0.019 1
1 1245 . 19 1 1 A 102 102 PHE C C 102 178.343 177.504 0.839 1
1 1246 . 19 1 1 A 102 102 PHE CA C 102 61.315 61.614 -0.299 1
1 1247 . 19 1 1 A 102 102 PHE CB C 102 40.083 39.477 0.606 1
1 1248 . 19 1 1 A 102 102 PHE N N 102 121.281 120.651 0.630 1
1 1249 . 19 1 1 A 103 103 ARG H H 103 8.210 8.399 -0.189 1
1 1250 . 19 1 1 A 103 103 ARG HA H 103 3.830 4.040 -0.210 1
1 1257 . 19 1 1 A 103 103 ARG C C 103 177.602 178.499 -0.897 1
1 1258 . 19 1 1 A 103 103 ARG CA C 103 59.235 59.514 -0.279 1
1 1261 . 19 1 1 A 103 103 ARG N N 103 119.223 118.778 0.445 1
1 1262 . 19 1 1 A 104 104 ALA H H 104 7.905 7.202 0.703 1
1 1263 . 19 1 1 A 104 104 ALA HA H 104 4.186 4.249 -0.063 1
1 1267 . 19 1 1 A 104 104 ALA C C 104 179.126 178.029 1.097 1
1 1268 . 19 1 1 A 104 104 ALA CA C 104 54.188 52.514 1.674 1
1 1269 . 19 1 1 A 104 104 ALA CB C 104 18.254 19.508 -1.254 1
1 1270 . 19 1 1 A 104 104 ALA N N 104 120.546 119.092 1.454 1
1 1271 . 19 1 1 A 105 105 GLY H H 105 7.676 7.849 -0.173 1
1 1272 . 19 1 1 A 105 105 GLY HA2 H 105 3.849 3.764 0.085 1
1 1273 . 19 1 1 A 105 105 GLY HA3 H 105 4.052 3.858 0.194 1
1 1274 . 19 1 1 A 105 105 GLY C C 105 174.515 174.124 0.391 1
1 1275 . 19 1 1 A 105 105 GLY CA C 105 45.317 45.153 0.164 1
1 1276 . 19 1 1 A 105 105 GLY N N 105 104.677 106.680 -2.003 1
1 1277 . 19 1 1 A 106 106 CYS H H 106 7.599 7.871 -0.272 1
1 1278 . 19 1 1 A 106 106 CYS HA H 106 4.447 4.422 0.025 1
1 1281 . 19 1 1 A 106 106 CYS C C 106 173.823 175.662 -1.839 1
1 1282 . 19 1 1 A 106 106 CYS CA C 106 59.123 59.540 -0.417 1
1 1283 . 19 1 1 A 106 106 CYS CB C 106 28.004 28.070 -0.066 1
1 1284 . 19 1 1 A 106 106 CYS N N 106 118.321 119.980 -1.659 1
1 14 . 20 1 1 A 2 2 ASP H H 2 8.989 8.548 0.441 1
1 15 . 20 1 1 A 2 2 ASP HA H 2 4.662 4.613 0.049 1
1 18 . 20 1 1 A 2 2 ASP C C 2 177.024 177.004 0.020 1
1 19 . 20 1 1 A 2 2 ASP CA C 2 54.092 54.379 -0.287 1
1 20 . 20 1 1 A 2 2 ASP CB C 2 42.743 42.847 -0.104 1
1 21 . 20 1 1 A 2 2 ASP N N 2 126.287 120.480 5.807 1
1 22 . 20 1 1 A 3 3 ASN H H 3 9.165 9.005 0.160 1
1 23 . 20 1 1 A 3 3 ASN HA H 3 4.446 4.345 0.101 1
1 28 . 20 1 1 A 3 3 ASN C C 3 177.306 177.653 -0.347 1
1 29 . 20 1 1 A 3 3 ASN CA C 3 56.355 55.974 0.381 1
1 30 . 20 1 1 A 3 3 ASN CB C 3 38.382 37.503 0.879 1
1 32 . 20 1 1 A 3 3 ASN N N 3 124.055 123.268 0.787 1
1 34 . 20 1 1 A 4 4 ARG H H 4 9.092 8.044 1.048 1
1 35 . 20 1 1 A 4 4 ARG HA H 4 4.183 4.122 0.061 1
1 42 . 20 1 1 A 4 4 ARG C C 4 178.824 178.918 -0.094 1
1 43 . 20 1 1 A 4 4 ARG CA C 4 59.401 58.785 0.616 1
1 44 . 20 1 1 A 4 4 ARG CB C 4 29.437 30.059 -0.622 1
1 47 . 20 1 1 A 4 4 ARG N N 4 119.970 119.784 0.186 1
1 48 . 20 1 1 A 5 5 VAL H H 5 7.588 7.943 -0.355 1
1 49 . 20 1 1 A 5 5 VAL HA H 5 3.458 3.539 -0.081 1
1 57 . 20 1 1 A 5 5 VAL C C 5 177.573 177.952 -0.379 1
1 58 . 20 1 1 A 5 5 VAL CA C 5 66.543 66.614 -0.071 1
1 59 . 20 1 1 A 5 5 VAL CB C 5 31.294 31.209 0.085 1
1 62 . 20 1 1 A 5 5 VAL N N 5 119.312 119.391 -0.079 1
1 63 . 20 1 1 A 6 6 ARG H H 6 7.920 8.437 -0.517 1
1 64 . 20 1 1 A 6 6 ARG HA H 6 3.860 3.882 -0.022 1
1 71 . 20 1 1 A 6 6 ARG C C 6 179.380 178.941 0.439 1
1 72 . 20 1 1 A 6 6 ARG CA C 6 60.197 59.393 0.804 1
1 73 . 20 1 1 A 6 6 ARG CB C 6 29.818 29.974 -0.156 1
1 76 . 20 1 1 A 6 6 ARG N N 6 120.863 119.906 0.957 1
1 77 . 20 1 1 A 7 7 GLU H H 7 8.262 8.076 0.186 1
1 78 . 20 1 1 A 7 7 GLU HA H 7 4.241 4.081 0.160 1
1 83 . 20 1 1 A 7 7 GLU C C 7 179.131 179.196 -0.065 1
1 84 . 20 1 1 A 7 7 GLU CA C 7 58.770 59.388 -0.618 1
1 85 . 20 1 1 A 7 7 GLU CB C 7 28.883 29.609 -0.726 1
1 87 . 20 1 1 A 7 7 GLU N N 7 119.166 119.357 -0.191 1
1 88 . 20 1 1 A 8 8 ALA H H 8 8.421 8.254 0.167 1
1 89 . 20 1 1 A 8 8 ALA HA H 8 4.046 4.444 -0.398 1
1 93 . 20 1 1 A 8 8 ALA C C 8 179.202 180.219 -1.017 1
1 94 . 20 1 1 A 8 8 ALA CA C 8 55.610 55.363 0.247 1
1 95 . 20 1 1 A 8 8 ALA CB C 8 18.512 18.425 0.087 1
1 96 . 20 1 1 A 8 8 ALA N N 8 123.947 122.572 1.375 1
1 97 . 20 1 1 A 9 9 CYS H H 9 8.490 8.179 0.311 1
1 98 . 20 1 1 A 9 9 CYS HA H 9 3.767 4.467 -0.700 1
1 101 . 20 1 1 A 9 9 CYS C C 9 176.858 177.456 -0.598 1
1 102 . 20 1 1 A 9 9 CYS CA C 9 64.480 63.398 1.082 1
1 103 . 20 1 1 A 9 9 CYS CB C 9 26.690 27.534 -0.844 1
1 104 . 20 1 1 A 9 9 CYS N N 9 116.232 116.567 -0.335 1
1 105 . 20 1 1 A 10 10 GLN H H 10 8.088 8.149 -0.061 1
1 106 . 20 1 1 A 10 10 GLN HA H 10 4.022 4.199 -0.177 1
1 113 . 20 1 1 A 10 10 GLN C C 10 177.140 178.328 -1.188 1
1 114 . 20 1 1 A 10 10 GLN CA C 10 58.804 58.767 0.037 1
1 115 . 20 1 1 A 10 10 GLN CB C 10 28.299 28.391 -0.092 1
1 118 . 20 1 1 A 10 10 GLN N N 10 120.817 121.093 -0.276 1
1 120 . 20 1 1 A 11 11 TYR H H 11 8.367 8.349 0.018 1
1 121 . 20 1 1 A 11 11 TYR HA H 11 4.308 4.197 0.111 1
1 128 . 20 1 1 A 11 11 TYR C C 11 178.986 177.056 1.930 1
1 129 . 20 1 1 A 11 11 TYR CA C 11 61.850 61.458 0.392 1
1 130 . 20 1 1 A 11 11 TYR CB C 11 38.653 38.714 -0.061 1
1 135 . 20 1 1 A 11 11 TYR N N 11 120.419 121.373 -0.954 1
1 136 . 20 1 1 A 12 12 ILE H H 12 8.886 8.133 0.753 1
1 137 . 20 1 1 A 12 12 ILE HA H 12 3.700 3.422 0.278 1
1 147 . 20 1 1 A 12 12 ILE C C 12 179.352 177.977 1.375 1
1 148 . 20 1 1 A 12 12 ILE CA C 12 65.621 64.967 0.654 1
1 149 . 20 1 1 A 12 12 ILE CB C 12 38.203 37.955 0.248 1
1 153 . 20 1 1 A 12 12 ILE N N 12 119.720 121.361 -1.641 1
1 154 . 20 1 1 A 13 13 SER H H 13 8.740 8.085 0.655 1
1 155 . 20 1 1 A 13 13 SER HA H 13 4.753 4.071 0.682 1
1 158 . 20 1 1 A 13 13 SER C C 13 176.355 177.003 -0.648 1
1 159 . 20 1 1 A 13 13 SER CA C 13 62.551 61.584 0.967 1
1 160 . 20 1 1 A 13 13 SER CB C 13 62.468 62.895 -0.427 1
1 161 . 20 1 1 A 13 13 SER N N 13 116.217 117.153 -0.936 1
1 162 . 20 1 1 A 14 14 ASP H H 14 8.426 8.318 0.108 1
1 163 . 20 1 1 A 14 14 ASP HA H 14 4.438 4.478 -0.040 1
1 166 . 20 1 1 A 14 14 ASP C C 14 176.838 177.619 -0.781 1
1 167 . 20 1 1 A 14 14 ASP CA C 14 55.988 56.705 -0.717 1
1 168 . 20 1 1 A 14 14 ASP CB C 14 40.500 40.718 -0.218 1
1 169 . 20 1 1 A 14 14 ASP N N 14 121.201 121.792 -0.591 1
1 170 . 20 1 1 A 15 15 HIS H H 15 7.530 7.421 0.109 1
1 171 . 20 1 1 A 15 15 HIS HA H 15 4.661 4.575 0.086 1
1 176 . 20 1 1 A 15 15 HIS C C 15 175.451 175.514 -0.063 1
1 177 . 20 1 1 A 15 15 HIS CA C 15 55.320 55.337 -0.017 1
1 178 . 20 1 1 A 15 15 HIS CB C 15 28.275 29.170 -0.895 1
1 181 . 20 1 1 A 15 15 HIS N N 15 116.777 115.791 0.986 1
1 182 . 20 1 1 A 16 16 LEU H H 16 7.271 7.390 -0.119 1
1 183 . 20 1 1 A 16 16 LEU HA H 16 3.812 3.716 0.096 1
1 193 . 20 1 1 A 16 16 LEU C C 16 176.627 178.118 -1.491 1
1 194 . 20 1 1 A 16 16 LEU CA C 16 58.076 57.553 0.523 1
1 195 . 20 1 1 A 16 16 LEU CB C 16 42.531 41.220 1.311 1
1 199 . 20 1 1 A 16 16 LEU N N 16 122.531 122.361 0.170 1
1 200 . 20 1 1 A 17 17 ALA H H 17 8.243 7.182 1.061 1
1 201 . 20 1 1 A 17 17 ALA HA H 17 3.937 4.205 -0.268 1
1 205 . 20 1 1 A 17 17 ALA C C 17 177.131 176.940 0.191 1
1 206 . 20 1 1 A 17 17 ALA CA C 17 51.802 51.792 0.010 1
1 207 . 20 1 1 A 17 17 ALA CB C 17 18.473 19.979 -1.506 1
1 208 . 20 1 1 A 17 17 ALA N N 17 116.354 119.384 -3.030 1
1 209 . 20 1 1 A 18 18 ASP H H 18 7.488 7.501 -0.013 1
1 210 . 20 1 1 A 18 18 ASP HA H 18 4.455 4.444 0.011 1
1 213 . 20 1 1 A 18 18 ASP C C 18 177.370 176.146 1.224 1
1 214 . 20 1 1 A 18 18 ASP CA C 18 54.571 54.545 0.026 1
1 215 . 20 1 1 A 18 18 ASP CB C 18 40.521 40.962 -0.441 1
1 216 . 20 1 1 A 18 18 ASP N N 18 119.230 118.854 0.376 1
1 217 . 20 1 1 A 19 19 SER H H 19 8.793 8.846 -0.053 1
1 218 . 20 1 1 A 19 19 SER HA H 19 4.424 4.371 0.053 1
1 221 . 20 1 1 A 19 19 SER C C 19 174.779 174.565 0.214 1
1 222 . 20 1 1 A 19 19 SER CA C 19 59.706 61.227 -1.521 1
1 223 . 20 1 1 A 19 19 SER CB C 19 63.351 63.400 -0.049 1
1 224 . 20 1 1 A 19 19 SER N N 19 119.892 118.456 1.436 1
1 225 . 20 1 1 A 20 20 ASN H H 20 8.520 7.977 0.543 1
1 226 . 20 1 1 A 20 20 ASN HA H 20 4.869 4.974 -0.105 1
1 231 . 20 1 1 A 20 20 ASN C C 20 173.838 174.292 -0.454 1
1 232 . 20 1 1 A 20 20 ASN CA C 20 52.586 53.089 -0.503 1
1 233 . 20 1 1 A 20 20 ASN CB C 20 38.799 37.954 0.845 1
1 235 . 20 1 1 A 20 20 ASN N N 20 119.769 118.736 1.033 1
1 237 . 20 1 1 A 21 21 PHE H H 21 8.082 9.144 -1.062 1
1 238 . 20 1 1 A 21 21 PHE HA H 21 4.397 5.300 -0.903 1
1 246 . 20 1 1 A 21 21 PHE C C 21 173.520 173.693 -0.173 1
1 247 . 20 1 1 A 21 21 PHE CA C 21 58.672 56.094 2.578 1
1 248 . 20 1 1 A 21 21 PHE CB C 21 40.704 41.196 -0.492 1
1 254 . 20 1 1 A 21 21 PHE N N 21 121.875 126.367 -4.492 1
1 255 . 20 1 1 A 22 22 ASP H H 22 7.570 8.603 -1.033 1
1 256 . 20 1 1 A 22 22 ASP HA H 22 4.563 5.112 -0.549 1
1 259 . 20 1 1 A 22 22 ASP C C 22 175.674 176.406 -0.732 1
1 260 . 20 1 1 A 22 22 ASP CA C 22 52.049 52.383 -0.334 1
1 261 . 20 1 1 A 22 22 ASP CB C 22 43.023 42.781 0.242 1
1 262 . 20 1 1 A 22 22 ASP N N 22 126.780 125.110 1.670 1
1 263 . 20 1 1 A 23 23 ILE H H 23 8.720 8.501 0.219 1
1 264 . 20 1 1 A 23 23 ILE HA H 23 3.555 3.807 -0.252 1
1 274 . 20 1 1 A 23 23 ILE C C 23 176.441 177.640 -1.199 1
1 275 . 20 1 1 A 23 23 ILE CA C 23 63.650 63.270 0.380 1
1 276 . 20 1 1 A 23 23 ILE CB C 23 37.741 37.876 -0.135 1
1 280 . 20 1 1 A 23 23 ILE N N 23 124.815 123.200 1.615 1
1 281 . 20 1 1 A 24 24 ALA H H 24 8.543 8.377 0.166 1
1 282 . 20 1 1 A 24 24 ALA HA H 24 3.917 4.053 -0.136 1
1 286 . 20 1 1 A 24 24 ALA C C 24 180.227 179.807 0.420 1
1 287 . 20 1 1 A 24 24 ALA CA C 24 55.413 55.294 0.119 1
1 288 . 20 1 1 A 24 24 ALA CB C 24 17.760 17.968 -0.208 1
1 289 . 20 1 1 A 24 24 ALA N N 24 123.943 124.445 -0.502 1
1 290 . 20 1 1 A 25 25 SER H H 25 7.844 7.875 -0.031 1
1 291 . 20 1 1 A 25 25 SER HA H 25 4.246 4.121 0.125 1
1 293 . 20 1 1 A 25 25 SER C C 25 176.667 177.095 -0.428 1
1 294 . 20 1 1 A 25 25 SER CA C 25 61.238 61.279 -0.041 1
1 295 . 20 1 1 A 25 25 SER CB C 25 62.402 63.163 -0.761 1
1 296 . 20 1 1 A 25 25 SER N N 25 114.143 113.682 0.461 1
1 297 . 20 1 1 A 26 26 VAL H H 26 7.086 7.994 -0.908 1
1 298 . 20 1 1 A 26 26 VAL HA H 26 3.198 3.586 -0.388 1
1 306 . 20 1 1 A 26 26 VAL C C 26 176.670 178.026 -1.356 1
1 307 . 20 1 1 A 26 26 VAL CA C 26 64.809 66.785 -1.976 1
1 308 . 20 1 1 A 26 26 VAL CB C 26 31.274 31.645 -0.371 1
1 311 . 20 1 1 A 26 26 VAL N N 26 122.369 121.829 0.540 1
1 312 . 20 1 1 A 27 27 ALA H H 27 8.043 8.038 0.005 1
1 313 . 20 1 1 A 27 27 ALA HA H 27 3.775 3.944 -0.169 1
1 317 . 20 1 1 A 27 27 ALA C C 27 178.948 179.357 -0.409 1
1 318 . 20 1 1 A 27 27 ALA CA C 27 55.507 55.555 -0.048 1
1 319 . 20 1 1 A 27 27 ALA CB C 27 17.412 18.019 -0.607 1
1 320 . 20 1 1 A 27 27 ALA N N 27 122.045 122.219 -0.174 1
1 321 . 20 1 1 A 28 28 GLN H H 28 8.089 7.795 0.294 1
1 322 . 20 1 1 A 28 28 GLN HA H 28 4.053 4.046 0.007 1
1 329 . 20 1 1 A 28 28 GLN C C 28 179.289 178.425 0.864 1
1 330 . 20 1 1 A 28 28 GLN CA C 28 58.625 58.801 -0.176 1
1 331 . 20 1 1 A 28 28 GLN CB C 28 28.155 28.232 -0.077 1
1 334 . 20 1 1 A 28 28 GLN N N 28 116.168 118.314 -2.146 1
1 336 . 20 1 1 A 29 29 HIS H H 29 7.454 7.898 -0.444 1
1 337 . 20 1 1 A 29 29 HIS HA H 29 4.209 4.055 0.154 1
1 342 . 20 1 1 A 29 29 HIS C C 29 175.895 176.817 -0.922 1
1 343 . 20 1 1 A 29 29 HIS CA C 29 59.132 59.336 -0.204 1
1 344 . 20 1 1 A 29 29 HIS CB C 29 28.947 29.596 -0.649 1
1 347 . 20 1 1 A 29 29 HIS N N 29 118.117 120.061 -1.944 1
1 348 . 20 1 1 A 30 30 VAL H H 30 7.309 6.838 0.471 1
1 349 . 20 1 1 A 30 30 VAL HA H 30 4.441 4.063 0.378 1
1 357 . 20 1 1 A 30 30 VAL C C 30 173.598 174.418 -0.820 1
1 358 . 20 1 1 A 30 30 VAL CA C 30 59.948 60.598 -0.650 1
1 359 . 20 1 1 A 30 30 VAL CB C 30 31.067 31.035 0.032 1
1 362 . 20 1 1 A 30 30 VAL N N 30 106.791 109.325 -2.534 1
1 363 . 20 1 1 A 31 31 CYS H H 31 7.837 8.004 -0.167 1
1 364 . 20 1 1 A 31 31 CYS HA H 31 3.929 4.109 -0.180 1
1 367 . 20 1 1 A 31 31 CYS C C 31 173.679 173.341 0.338 1
1 368 . 20 1 1 A 31 31 CYS CA C 31 59.814 60.418 -0.604 1
1 369 . 20 1 1 A 31 31 CYS CB C 31 24.898 25.933 -1.035 1
1 370 . 20 1 1 A 31 31 CYS N N 31 116.363 117.208 -0.845 1
1 371 . 20 1 1 A 32 32 LEU H H 32 8.061 7.931 0.130 1
1 372 . 20 1 1 A 32 32 LEU HA H 32 4.871 4.827 0.044 1
1 382 . 20 1 1 A 32 32 LEU C C 32 176.243 175.237 1.006 1
1 383 . 20 1 1 A 32 32 LEU CA C 32 52.555 53.516 -0.961 1
1 384 . 20 1 1 A 32 32 LEU CB C 32 48.238 45.943 2.295 1
1 388 . 20 1 1 A 32 32 LEU N N 32 118.159 120.231 -2.072 1
1 389 . 20 1 1 A 33 33 SER H H 33 8.221 8.745 -0.524 1
1 390 . 20 1 1 A 33 33 SER N N 33 116.259 118.665 -2.406 1
1 391 . 20 1 1 A 34 34 PRO HA H 34 3.951 4.347 -0.396 1
1 398 . 20 1 1 A 34 34 PRO C C 34 178.473 177.861 0.612 1
1 399 . 20 1 1 A 34 34 PRO CA C 34 66.404 64.960 1.444 1
1 400 . 20 1 1 A 34 34 PRO CB C 34 31.712 32.004 -0.292 1
1 403 . 20 1 1 A 35 35 SER H H 35 8.343 8.255 0.088 1
1 404 . 20 1 1 A 35 35 SER HA H 35 4.192 4.237 -0.045 1
1 406 . 20 1 1 A 35 35 SER C C 35 177.361 177.467 -0.106 1
1 407 . 20 1 1 A 35 35 SER CA C 35 61.358 61.401 -0.043 1
1 408 . 20 1 1 A 35 35 SER CB C 35 62.140 62.993 -0.853 1
1 409 . 20 1 1 A 35 35 SER N N 35 111.653 112.265 -0.612 1
1 410 . 20 1 1 A 36 36 ARG H H 36 7.868 7.791 0.077 1
1 411 . 20 1 1 A 36 36 ARG HA H 36 4.243 4.231 0.012 1
1 418 . 20 1 1 A 36 36 ARG C C 36 178.850 178.458 0.392 1
1 419 . 20 1 1 A 36 36 ARG CA C 36 58.714 58.422 0.292 1
1 420 . 20 1 1 A 36 36 ARG CB C 36 29.804 29.762 0.042 1
1 423 . 20 1 1 A 36 36 ARG N N 36 124.303 122.225 2.078 1
1 424 . 20 1 1 A 37 37 LEU H H 37 8.593 8.031 0.562 1
1 425 . 20 1 1 A 37 37 LEU HA H 37 4.052 4.120 -0.068 1
1 435 . 20 1 1 A 37 37 LEU C C 37 177.894 178.929 -1.035 1
1 436 . 20 1 1 A 37 37 LEU CA C 37 58.289 58.466 -0.177 1
1 437 . 20 1 1 A 37 37 LEU CB C 37 40.775 41.860 -1.085 1
1 441 . 20 1 1 A 37 37 LEU N N 37 119.319 121.516 -2.197 1
1 442 . 20 1 1 A 38 38 SER H H 38 8.478 8.322 0.156 1
1 443 . 20 1 1 A 38 38 SER HA H 38 4.066 4.164 -0.098 1
1 444 . 20 1 1 A 38 38 SER C C 38 176.577 175.889 0.688 1
1 445 . 20 1 1 A 38 38 SER CA C 38 62.824 62.911 -0.087 1
1 446 . 20 1 1 A 38 38 SER N N 38 113.612 116.603 -2.991 1
1 447 . 20 1 1 A 39 39 HIS H H 39 7.983 7.501 0.482 1
1 448 . 20 1 1 A 39 39 HIS HA H 39 4.403 4.272 0.131 1
1 453 . 20 1 1 A 39 39 HIS C C 39 177.138 176.866 0.272 1
1 454 . 20 1 1 A 39 39 HIS CA C 39 59.316 60.050 -0.734 1
1 455 . 20 1 1 A 39 39 HIS CB C 39 29.226 30.177 -0.951 1
1 458 . 20 1 1 A 39 39 HIS N N 39 119.938 122.395 -2.457 1
1 459 . 20 1 1 A 40 40 LEU H H 40 8.432 8.201 0.231 1
1 460 . 20 1 1 A 40 40 LEU HA H 40 4.045 4.017 0.028 1
1 470 . 20 1 1 A 40 40 LEU C C 40 178.876 179.155 -0.279 1
1 471 . 20 1 1 A 40 40 LEU CA C 40 57.990 57.858 0.132 1
1 472 . 20 1 1 A 40 40 LEU CB C 40 42.609 41.895 0.714 1
1 476 . 20 1 1 A 40 40 LEU N N 40 120.053 118.883 1.170 1
1 477 . 20 1 1 A 41 41 PHE H H 41 8.937 8.878 0.059 1
1 478 . 20 1 1 A 41 41 PHE HA H 41 3.736 3.917 -0.181 1
1 486 . 20 1 1 A 41 41 PHE C C 41 178.022 177.493 0.529 1
1 487 . 20 1 1 A 41 41 PHE CA C 41 62.523 61.770 0.753 1
1 488 . 20 1 1 A 41 41 PHE CB C 41 39.534 39.013 0.521 1
1 494 . 20 1 1 A 41 41 PHE N N 41 120.491 119.750 0.741 1
1 495 . 20 1 1 A 42 42 ARG H H 42 8.009 8.162 -0.153 1
1 496 . 20 1 1 A 42 42 ARG HA H 42 4.021 4.465 -0.444 1
1 502 . 20 1 1 A 42 42 ARG C C 42 179.850 178.261 1.589 1
1 503 . 20 1 1 A 42 42 ARG CA C 42 59.243 58.876 0.367 1
1 504 . 20 1 1 A 42 42 ARG CB C 42 29.748 29.651 0.097 1
1 507 . 20 1 1 A 42 42 ARG N N 42 117.688 118.579 -0.891 1
1 508 . 20 1 1 A 43 43 GLN H H 43 8.286 7.464 0.822 1
1 509 . 20 1 1 A 43 43 GLN HA H 43 4.006 3.966 0.040 1
1 516 . 20 1 1 A 43 43 GLN C C 43 177.917 178.263 -0.346 1
1 517 . 20 1 1 A 43 43 GLN CA C 43 58.715 58.876 -0.161 1
1 518 . 20 1 1 A 43 43 GLN CB C 43 29.345 28.771 0.574 1
1 521 . 20 1 1 A 43 43 GLN N N 43 118.179 118.653 -0.474 1
1 523 . 20 1 1 A 44 44 GLN H H 44 8.296 8.246 0.050 1
1 524 . 20 1 1 A 44 44 GLN HA H 44 4.208 4.109 0.099 1
1 531 . 20 1 1 A 44 44 GLN C C 44 177.314 177.445 -0.131 1
1 532 . 20 1 1 A 44 44 GLN CA C 44 57.913 58.082 -0.169 1
1 533 . 20 1 1 A 44 44 GLN CB C 44 29.027 28.731 0.296 1
1 536 . 20 1 1 A 44 44 GLN N N 44 114.928 117.747 -2.819 1
1 538 . 20 1 1 A 45 45 LEU H H 45 8.463 8.071 0.392 1
1 539 . 20 1 1 A 45 45 LEU HA H 45 4.567 4.218 0.349 1
1 549 . 20 1 1 A 45 45 LEU C C 45 178.381 176.838 1.543 1
1 550 . 20 1 1 A 45 45 LEU CA C 45 54.564 55.097 -0.533 1
1 551 . 20 1 1 A 45 45 LEU CB C 45 43.031 42.285 0.746 1
1 555 . 20 1 1 A 45 45 LEU N N 45 117.028 117.177 -0.149 1
1 556 . 20 1 1 A 46 46 GLY H H 46 7.852 9.149 -1.297 1
1 557 . 20 1 1 A 46 46 GLY HA2 H 46 4.005 3.843 0.162 1
1 558 . 20 1 1 A 46 46 GLY HA3 H 46 4.167 3.851 0.316 1
1 559 . 20 1 1 A 46 46 GLY C C 46 173.114 173.401 -0.287 1
1 560 . 20 1 1 A 46 46 GLY CA C 46 46.080 45.784 0.296 1
1 561 . 20 1 1 A 46 46 GLY N N 46 108.569 106.823 1.746 1
1 562 . 20 1 1 A 47 47 ILE H H 47 7.281 7.506 -0.225 1
1 563 . 20 1 1 A 47 47 ILE HA H 47 4.735 4.852 -0.117 1
1 573 . 20 1 1 A 47 47 ILE C C 47 172.231 174.560 -2.329 1
1 574 . 20 1 1 A 47 47 ILE CA C 47 59.240 58.881 0.359 1
1 575 . 20 1 1 A 47 47 ILE CB C 47 42.470 41.995 0.475 1
1 579 . 20 1 1 A 47 47 ILE N N 47 115.396 115.840 -0.444 1
1 580 . 20 1 1 A 48 48 SER H H 48 8.298 8.723 -0.425 1
1 581 . 20 1 1 A 48 48 SER HA H 48 4.725 4.682 0.043 1
1 584 . 20 1 1 A 48 48 SER C C 48 174.600 175.352 -0.752 1
1 585 . 20 1 1 A 48 48 SER CA C 48 57.092 58.517 -1.425 1
1 586 . 20 1 1 A 48 48 SER CB C 48 65.286 63.921 1.365 1
1 587 . 20 1 1 A 48 48 SER N N 48 115.685 118.800 -3.115 1
1 588 . 20 1 1 A 49 49 VAL H H 49 8.296 8.583 -0.287 1
1 589 . 20 1 1 A 49 49 VAL HA H 49 3.081 4.167 -1.086 1
1 597 . 20 1 1 A 49 49 VAL C C 49 177.888 177.808 0.080 1
1 598 . 20 1 1 A 49 49 VAL CA C 49 65.881 65.465 0.416 1
1 599 . 20 1 1 A 49 49 VAL CB C 49 31.149 31.645 -0.496 1
1 602 . 20 1 1 A 49 49 VAL N N 49 120.175 126.227 -6.052 1
1 603 . 20 1 1 A 50 50 LEU H H 50 8.138 8.084 0.054 1
1 604 . 20 1 1 A 50 50 LEU HA H 50 4.011 4.118 -0.107 1
1 614 . 20 1 1 A 50 50 LEU C C 50 180.412 178.730 1.682 1
1 615 . 20 1 1 A 50 50 LEU CA C 50 57.962 58.244 -0.282 1
1 616 . 20 1 1 A 50 50 LEU CB C 50 41.224 41.611 -0.387 1
1 620 . 20 1 1 A 50 50 LEU N N 50 116.998 122.502 -5.504 1
1 621 . 20 1 1 A 51 51 SER H H 51 8.087 7.944 0.143 1
1 622 . 20 1 1 A 51 51 SER HA H 51 4.279 4.232 0.047 1
1 624 . 20 1 1 A 51 51 SER C C 51 176.081 175.993 0.088 1
1 625 . 20 1 1 A 51 51 SER CA C 51 62.174 62.613 -0.439 1
1 626 . 20 1 1 A 51 51 SER N N 51 117.207 115.953 1.254 1
1 627 . 20 1 1 A 52 52 TRP H H 52 8.913 8.481 0.432 1
1 628 . 20 1 1 A 52 52 TRP HA H 52 4.067 4.277 -0.210 1
1 637 . 20 1 1 A 52 52 TRP C C 52 178.579 178.811 -0.232 1
1 638 . 20 1 1 A 52 52 TRP CA C 52 63.288 61.266 2.022 1
1 639 . 20 1 1 A 52 52 TRP CB C 52 29.159 29.964 -0.805 1
1 645 . 20 1 1 A 52 52 TRP N N 52 124.958 123.954 1.004 1
1 647 . 20 1 1 A 53 53 ARG H H 53 8.547 8.234 0.313 1
1 648 . 20 1 1 A 53 53 ARG HA H 53 3.578 3.570 0.008 1
1 654 . 20 1 1 A 53 53 ARG C C 53 177.290 178.578 -1.288 1
1 655 . 20 1 1 A 53 53 ARG CA C 53 60.443 59.456 0.987 1
1 656 . 20 1 1 A 53 53 ARG CB C 53 30.001 30.009 -0.008 1
1 659 . 20 1 1 A 53 53 ARG N N 53 118.356 119.095 -0.739 1
1 660 . 20 1 1 A 54 54 GLU H H 54 8.002 7.670 0.332 1
1 661 . 20 1 1 A 54 54 GLU HA H 54 4.016 4.069 -0.053 1
1 666 . 20 1 1 A 54 54 GLU C C 54 178.460 178.387 0.073 1
1 667 . 20 1 1 A 54 54 GLU CA C 54 59.982 59.606 0.376 1
1 668 . 20 1 1 A 54 54 GLU CB C 54 29.759 29.170 0.589 1
1 670 . 20 1 1 A 54 54 GLU N N 54 118.818 119.643 -0.825 1
1 671 . 20 1 1 A 55 55 ASP H H 55 8.111 8.643 -0.532 1
1 672 . 20 1 1 A 55 55 ASP HA H 55 4.289 4.311 -0.022 1
1 675 . 20 1 1 A 55 55 ASP C C 55 179.313 178.262 1.051 1
1 676 . 20 1 1 A 55 55 ASP CA C 55 57.131 57.699 -0.568 1
1 677 . 20 1 1 A 55 55 ASP CB C 55 40.227 41.937 -1.710 1
1 678 . 20 1 1 A 55 55 ASP N N 55 119.156 120.155 -0.999 1
1 679 . 20 1 1 A 56 56 GLN H H 56 8.099 7.604 0.495 1
1 680 . 20 1 1 A 56 56 GLN HA H 56 3.781 3.933 -0.152 1
1 687 . 20 1 1 A 56 56 GLN C C 56 178.700 178.494 0.206 1
1 688 . 20 1 1 A 56 56 GLN CA C 56 57.487 58.751 -1.264 1
1 689 . 20 1 1 A 56 56 GLN CB C 56 27.430 27.907 -0.477 1
1 692 . 20 1 1 A 56 56 GLN N N 56 119.807 117.870 1.937 1
1 694 . 20 1 1 A 57 57 ARG H H 57 8.240 7.901 0.339 1
1 695 . 20 1 1 A 57 57 ARG HA H 57 3.898 3.993 -0.095 1
1 702 . 20 1 1 A 57 57 ARG C C 57 178.185 178.933 -0.748 1
1 703 . 20 1 1 A 57 57 ARG CA C 57 60.671 59.074 1.597 1
1 704 . 20 1 1 A 57 57 ARG CB C 57 31.221 29.863 1.358 1
1 707 . 20 1 1 A 57 57 ARG N N 57 120.129 119.456 0.673 1
1 708 . 20 1 1 A 58 58 ILE H H 58 7.885 7.677 0.208 1
1 709 . 20 1 1 A 58 58 ILE HA H 58 3.978 4.033 -0.055 1
1 719 . 20 1 1 A 58 58 ILE C C 58 178.357 178.139 0.218 1
1 720 . 20 1 1 A 58 58 ILE CA C 58 61.684 64.983 -3.299 1
1 721 . 20 1 1 A 58 58 ILE CB C 58 34.538 37.820 -3.282 1
1 725 . 20 1 1 A 58 58 ILE N N 58 118.096 121.216 -3.120 1
1 726 . 20 1 1 A 59 59 SER H H 59 8.563 8.092 0.471 1
1 727 . 20 1 1 A 59 59 SER HA H 59 4.010 4.139 -0.129 1
1 728 . 20 1 1 A 59 59 SER C C 59 177.731 175.981 1.750 1
1 729 . 20 1 1 A 59 59 SER CA C 59 62.459 62.236 0.223 1
1 730 . 20 1 1 A 59 59 SER N N 59 117.208 115.788 1.420 1
1 731 . 20 1 1 A 60 60 GLN H H 60 8.471 8.072 0.399 1
1 732 . 20 1 1 A 60 60 GLN HA H 60 4.228 4.013 0.215 1
1 739 . 20 1 1 A 60 60 GLN C C 60 177.958 177.665 0.293 1
1 740 . 20 1 1 A 60 60 GLN CA C 60 58.233 58.498 -0.265 1
1 741 . 20 1 1 A 60 60 GLN CB C 60 27.288 28.898 -1.610 1
1 744 . 20 1 1 A 60 60 GLN N N 60 121.780 120.926 0.854 1
1 746 . 20 1 1 A 61 61 ALA H H 61 8.504 7.762 0.742 1
1 747 . 20 1 1 A 61 61 ALA HA H 61 3.947 4.039 -0.092 1
1 751 . 20 1 1 A 61 61 ALA C C 61 179.360 179.697 -0.337 1
1 752 . 20 1 1 A 61 61 ALA CA C 61 55.413 55.074 0.339 1
1 753 . 20 1 1 A 61 61 ALA CB C 61 18.124 18.435 -0.311 1
1 754 . 20 1 1 A 61 61 ALA N N 61 122.352 121.546 0.806 1
1 755 . 20 1 1 A 62 62 LYS H H 62 8.776 8.377 0.399 1
1 756 . 20 1 1 A 62 62 LYS HA H 62 3.722 4.225 -0.503 1
1 765 . 20 1 1 A 62 62 LYS C C 62 179.330 178.980 0.350 1
1 766 . 20 1 1 A 62 62 LYS CA C 62 60.632 59.612 1.020 1
1 767 . 20 1 1 A 62 62 LYS CB C 62 32.580 32.529 0.051 1
1 771 . 20 1 1 A 62 62 LYS N N 62 117.072 118.091 -1.019 1
1 772 . 20 1 1 A 63 63 LEU H H 63 7.670 8.389 -0.719 1
1 773 . 20 1 1 A 63 63 LEU HA H 63 4.233 4.055 0.178 1
1 783 . 20 1 1 A 63 63 LEU C C 63 180.902 178.341 2.561 1
1 784 . 20 1 1 A 63 63 LEU CA C 63 58.446 58.294 0.152 1
1 785 . 20 1 1 A 63 63 LEU CB C 63 41.598 41.586 0.012 1
1 789 . 20 1 1 A 63 63 LEU N N 63 121.196 121.532 -0.336 1
1 790 . 20 1 1 A 64 64 LEU H H 64 8.585 7.716 0.869 1
1 791 . 20 1 1 A 64 64 LEU HA H 64 4.088 4.012 0.076 1
1 801 . 20 1 1 A 64 64 LEU C C 64 180.869 179.391 1.478 1
1 802 . 20 1 1 A 64 64 LEU CA C 64 57.782 58.049 -0.267 1
1 803 . 20 1 1 A 64 64 LEU CB C 64 42.760 41.125 1.635 1
1 807 . 20 1 1 A 64 64 LEU N N 64 121.842 116.522 5.320 1
1 808 . 20 1 1 A 65 65 LEU H H 65 9.100 8.278 0.822 1
1 809 . 20 1 1 A 65 65 LEU HA H 65 4.346 4.326 0.020 1
1 819 . 20 1 1 A 65 65 LEU C C 65 178.659 179.809 -1.150 1
1 820 . 20 1 1 A 65 65 LEU CA C 65 57.408 57.620 -0.212 1
1 821 . 20 1 1 A 65 65 LEU CB C 65 43.013 41.016 1.997 1
1 825 . 20 1 1 A 65 65 LEU N N 65 119.872 120.313 -0.441 1
1 826 . 20 1 1 A 66 66 SER H H 66 8.303 7.918 0.385 1
1 827 . 20 1 1 A 66 66 SER HA H 66 4.211 4.393 -0.182 1
1 829 . 20 1 1 A 66 66 SER C C 66 176.580 175.082 1.498 1
1 830 . 20 1 1 A 66 66 SER CA C 66 60.155 61.818 -1.663 1
1 831 . 20 1 1 A 66 66 SER CB C 66 65.198 63.308 1.890 1
1 832 . 20 1 1 A 66 66 SER N N 66 110.490 115.545 -5.055 1
1 833 . 20 1 1 A 67 67 THR H H 67 7.901 7.852 0.049 1
1 834 . 20 1 1 A 67 67 THR HA H 67 4.812 4.444 0.368 1
1 839 . 20 1 1 A 67 67 THR C C 67 174.240 174.160 0.080 1
1 840 . 20 1 1 A 67 67 THR CA C 67 62.400 61.984 0.416 1
1 841 . 20 1 1 A 67 67 THR CB C 67 71.512 69.416 2.096 1
1 843 . 20 1 1 A 67 67 THR N N 67 108.414 113.395 -4.981 1
1 844 . 20 1 1 A 68 68 THR H H 68 7.507 7.282 0.225 1
1 845 . 20 1 1 A 68 68 THR HA H 68 5.096 4.797 0.299 1
1 850 . 20 1 1 A 68 68 THR C C 68 174.263 174.034 0.229 1
1 851 . 20 1 1 A 68 68 THR CA C 68 60.124 59.490 0.634 1
1 852 . 20 1 1 A 68 68 THR CB C 68 72.795 71.879 0.916 1
1 854 . 20 1 1 A 68 68 THR N N 68 111.673 112.546 -0.873 1
1 855 . 20 1 1 A 69 69 ARG H H 69 8.767 8.387 0.380 1
1 856 . 20 1 1 A 69 69 ARG HA H 69 4.422 4.665 -0.243 1
1 863 . 20 1 1 A 69 69 ARG C C 69 176.568 176.596 -0.028 1
1 864 . 20 1 1 A 69 69 ARG CA C 69 53.692 55.173 -1.481 1
1 865 . 20 1 1 A 69 69 ARG CB C 69 28.814 30.710 -1.896 1
1 868 . 20 1 1 A 69 69 ARG N N 69 118.034 119.344 -1.310 1
1 869 . 20 1 1 A 70 70 MET H H 70 7.996 7.552 0.444 1
1 870 . 20 1 1 A 70 70 MET HA H 70 4.470 4.498 -0.028 1
1 878 . 20 1 1 A 70 70 MET CA C 70 55.386 55.233 0.153 1
1 879 . 20 1 1 A 70 70 MET CB C 70 34.080 32.324 1.756 1
1 882 . 20 1 1 A 70 70 MET N N 70 122.491 121.351 1.140 1
1 883 . 20 1 1 A 71 71 PRO HA H 71 4.574 4.510 0.064 1
1 890 . 20 1 1 A 71 71 PRO C C 71 177.204 177.242 -0.038 1
1 891 . 20 1 1 A 71 71 PRO CA C 71 62.915 62.505 0.410 1
1 892 . 20 1 1 A 71 71 PRO CB C 71 32.380 32.431 -0.051 1
1 895 . 20 1 1 A 72 72 ILE H H 72 8.782 8.375 0.407 1
1 896 . 20 1 1 A 72 72 ILE HA H 72 3.407 3.625 -0.218 1
1 906 . 20 1 1 A 72 72 ILE C C 72 177.760 177.974 -0.214 1
1 907 . 20 1 1 A 72 72 ILE CA C 72 65.627 64.776 0.851 1
1 908 . 20 1 1 A 72 72 ILE CB C 72 36.771 37.582 -0.811 1
1 912 . 20 1 1 A 72 72 ILE N N 72 124.417 122.991 1.426 1
1 913 . 20 1 1 A 73 73 ALA H H 73 9.109 8.280 0.829 1
1 914 . 20 1 1 A 73 73 ALA HA H 73 3.974 4.000 -0.026 1
1 918 . 20 1 1 A 73 73 ALA C C 73 180.248 179.709 0.539 1
1 919 . 20 1 1 A 73 73 ALA CA C 73 55.232 55.263 -0.031 1
1 920 . 20 1 1 A 73 73 ALA CB C 73 18.338 18.386 -0.048 1
1 921 . 20 1 1 A 73 73 ALA N N 73 119.077 122.463 -3.386 1
1 922 . 20 1 1 A 74 74 THR H H 74 7.112 7.823 -0.711 1
1 923 . 20 1 1 A 74 74 THR HA H 74 3.875 3.882 -0.007 1
1 928 . 20 1 1 A 74 74 THR C C 74 175.761 176.313 -0.552 1
1 929 . 20 1 1 A 74 74 THR CA C 74 65.841 66.861 -1.020 1
1 930 . 20 1 1 A 74 74 THR CB C 74 68.248 68.129 0.119 1
1 932 . 20 1 1 A 74 74 THR N N 74 114.866 114.660 0.206 1
1 933 . 20 1 1 A 75 75 VAL H H 75 8.087 7.972 0.115 1
1 934 . 20 1 1 A 75 75 VAL HA H 75 3.305 3.486 -0.181 1
1 942 . 20 1 1 A 75 75 VAL C C 75 177.048 177.880 -0.832 1
1 943 . 20 1 1 A 75 75 VAL CA C 75 67.681 66.420 1.261 1
1 944 . 20 1 1 A 75 75 VAL CB C 75 30.831 31.035 -0.204 1
1 947 . 20 1 1 A 75 75 VAL N N 75 123.901 121.519 2.382 1
1 948 . 20 1 1 A 76 76 GLY H H 76 7.673 8.219 -0.546 1
1 949 . 20 1 1 A 76 76 GLY HA2 H 76 2.235 3.484 -1.249 1
1 950 . 20 1 1 A 76 76 GLY HA3 H 76 3.003 3.691 -0.688 1
1 951 . 20 1 1 A 76 76 GLY C C 76 176.562 176.107 0.455 1
1 952 . 20 1 1 A 76 76 GLY CA C 76 46.293 46.880 -0.587 1
1 953 . 20 1 1 A 76 76 GLY N N 76 102.438 107.724 -5.286 1
1 954 . 20 1 1 A 77 77 ARG H H 77 7.760 7.782 -0.022 1
1 955 . 20 1 1 A 77 77 ARG HA H 77 3.982 3.959 0.023 1
1 962 . 20 1 1 A 77 77 ARG C C 77 180.332 178.736 1.596 1
1 963 . 20 1 1 A 77 77 ARG CA C 77 59.550 58.985 0.565 1
1 964 . 20 1 1 A 77 77 ARG CB C 77 30.085 29.848 0.237 1
1 967 . 20 1 1 A 77 77 ARG N N 77 122.228 122.257 -0.029 1
1 968 . 20 1 1 A 78 78 ASN H H 78 8.230 7.869 0.361 1
1 969 . 20 1 1 A 78 78 ASN HA H 78 4.397 4.451 -0.054 1
1 974 . 20 1 1 A 78 78 ASN C C 78 176.105 176.842 -0.737 1
1 975 . 20 1 1 A 78 78 ASN CA C 78 55.615 55.971 -0.356 1
1 976 . 20 1 1 A 78 78 ASN CB C 78 38.806 38.350 0.456 1
1 978 . 20 1 1 A 78 78 ASN N N 78 119.139 117.724 1.415 1
1 980 . 20 1 1 A 79 79 VAL H H 79 7.323 6.876 0.447 1
1 981 . 20 1 1 A 79 79 VAL HA H 79 4.438 4.182 0.256 1
1 989 . 20 1 1 A 79 79 VAL C C 79 174.220 175.478 -1.258 1
1 990 . 20 1 1 A 79 79 VAL CA C 79 59.911 60.686 -0.775 1
1 991 . 20 1 1 A 79 79 VAL CB C 79 31.400 31.046 0.354 1
1 994 . 20 1 1 A 79 79 VAL N N 79 108.664 111.184 -2.520 1
1 995 . 20 1 1 A 80 80 GLY H H 80 7.286 7.563 -0.277 1
1 996 . 20 1 1 A 80 80 GLY HA2 H 80 3.540 3.678 -0.138 1
1 997 . 20 1 1 A 80 80 GLY HA3 H 80 4.023 3.783 0.240 1
1 998 . 20 1 1 A 80 80 GLY C C 80 174.383 174.338 0.045 1
1 999 . 20 1 1 A 80 80 GLY CA C 80 45.739 45.689 0.050 1
1 1000 . 20 1 1 A 80 80 GLY N N 80 104.635 109.841 -5.206 1
1 1001 . 20 1 1 A 81 81 PHE H H 81 8.535 7.567 0.968 1
1 1002 . 20 1 1 A 81 81 PHE HA H 81 4.845 4.392 0.453 1
1 1010 . 20 1 1 A 81 81 PHE C C 81 174.570 175.340 -0.770 1
1 1011 . 20 1 1 A 81 81 PHE CA C 81 56.375 58.374 -1.999 1
1 1012 . 20 1 1 A 81 81 PHE CB C 81 39.941 39.499 0.442 1
1 1018 . 20 1 1 A 81 81 PHE N N 81 119.772 118.825 0.947 1
1 1019 . 20 1 1 A 82 82 ASP H H 82 8.564 8.917 -0.353 1
1 1020 . 20 1 1 A 82 82 ASP HA H 82 4.491 4.513 -0.022 1
1 1023 . 20 1 1 A 82 82 ASP C C 82 175.170 175.227 -0.057 1
1 1024 . 20 1 1 A 82 82 ASP CA C 82 55.195 55.212 -0.017 1
1 1025 . 20 1 1 A 82 82 ASP CB C 82 41.010 41.435 -0.425 1
1 1026 . 20 1 1 A 82 82 ASP N N 82 123.028 123.533 -0.505 1
1 1027 . 20 1 1 A 83 83 ASP H H 83 7.789 7.753 0.036 1
1 1028 . 20 1 1 A 83 83 ASP HA H 83 4.947 4.762 0.185 1
1 1031 . 20 1 1 A 83 83 ASP C C 83 176.347 176.136 0.211 1
1 1032 . 20 1 1 A 83 83 ASP CA C 83 52.690 53.869 -1.179 1
1 1033 . 20 1 1 A 83 83 ASP CB C 83 43.152 42.300 0.852 1
1 1034 . 20 1 1 A 83 83 ASP N N 83 118.576 119.657 -1.081 1
1 1035 . 20 1 1 A 84 84 GLN H H 84 9.104 8.895 0.209 1
1 1036 . 20 1 1 A 84 84 GLN HA H 84 4.333 3.976 0.357 1
1 1043 . 20 1 1 A 84 84 GLN C C 84 177.986 177.703 0.283 1
1 1044 . 20 1 1 A 84 84 GLN CA C 84 58.909 58.735 0.174 1
1 1045 . 20 1 1 A 84 84 GLN CB C 84 28.267 28.506 -0.239 1
1 1048 . 20 1 1 A 84 84 GLN N N 84 126.543 127.166 -0.623 1
1 1050 . 20 1 1 A 85 85 LEU H H 85 8.419 7.807 0.612 1
1 1051 . 20 1 1 A 85 85 LEU HA H 85 4.210 4.220 -0.010 1
1 1061 . 20 1 1 A 85 85 LEU C C 85 179.472 178.935 0.537 1
1 1062 . 20 1 1 A 85 85 LEU CA C 85 57.958 57.656 0.302 1
1 1063 . 20 1 1 A 85 85 LEU CB C 85 40.678 41.773 -1.095 1
1 1067 . 20 1 1 A 85 85 LEU N N 85 123.486 119.342 4.144 1
1 1068 . 20 1 1 A 86 86 TYR H H 86 8.042 8.424 -0.382 1
1 1069 . 20 1 1 A 86 86 TYR HA H 86 4.288 4.010 0.278 1
1 1076 . 20 1 1 A 86 86 TYR C C 86 177.195 176.986 0.209 1
1 1077 . 20 1 1 A 86 86 TYR CA C 86 60.367 61.615 -1.248 1
1 1078 . 20 1 1 A 86 86 TYR CB C 86 38.184 38.315 -0.131 1
1 1083 . 20 1 1 A 86 86 TYR N N 86 122.679 120.109 2.570 1
1 1084 . 20 1 1 A 87 87 PHE H H 87 8.219 8.158 0.061 1
1 1085 . 20 1 1 A 87 87 PHE HA H 87 3.261 4.110 -0.849 1
1 1093 . 20 1 1 A 87 87 PHE C C 87 175.875 177.837 -1.962 1
1 1094 . 20 1 1 A 87 87 PHE CA C 87 58.536 62.286 -3.750 1
1 1095 . 20 1 1 A 87 87 PHE CB C 87 38.124 39.441 -1.317 1
1 1101 . 20 1 1 A 87 87 PHE N N 87 116.536 118.249 -1.713 1
1 1102 . 20 1 1 A 88 88 SER H H 88 8.082 8.541 -0.459 1
1 1103 . 20 1 1 A 88 88 SER HA H 88 3.951 4.179 -0.228 1
1 1105 . 20 1 1 A 88 88 SER C C 88 175.926 177.076 -1.150 1
1 1106 . 20 1 1 A 88 88 SER CA C 88 62.398 61.679 0.719 1
1 1107 . 20 1 1 A 88 88 SER N N 88 112.937 114.001 -1.064 1
1 1108 . 20 1 1 A 89 89 ARG H H 89 7.843 8.082 -0.239 1
1 1109 . 20 1 1 A 89 89 ARG HA H 89 3.975 4.031 -0.056 1
1 1116 . 20 1 1 A 89 89 ARG C C 89 179.414 178.752 0.662 1
1 1117 . 20 1 1 A 89 89 ARG CA C 89 59.452 59.127 0.325 1
1 1118 . 20 1 1 A 89 89 ARG CB C 89 30.242 29.898 0.344 1
1 1121 . 20 1 1 A 89 89 ARG N N 89 121.621 122.163 -0.542 1
1 1122 . 20 1 1 A 90 90 VAL H H 90 8.235 7.578 0.657 1
1 1123 . 20 1 1 A 90 90 VAL HA H 90 3.530 3.427 0.103 1
1 1131 . 20 1 1 A 90 90 VAL C C 90 177.752 178.019 -0.267 1
1 1132 . 20 1 1 A 90 90 VAL CA C 90 66.208 66.130 0.078 1
1 1133 . 20 1 1 A 90 90 VAL CB C 90 31.649 31.731 -0.082 1
1 1136 . 20 1 1 A 90 90 VAL N N 90 122.095 119.802 2.293 1
1 1137 . 20 1 1 A 91 91 PHE H H 91 8.763 8.565 0.198 1
1 1138 . 20 1 1 A 91 91 PHE HA H 91 3.584 3.881 -0.297 1
1 1141 . 20 1 1 A 91 91 PHE C C 91 178.386 177.367 1.019 1
1 1142 . 20 1 1 A 91 91 PHE CA C 91 62.523 60.424 2.099 1
1 1143 . 20 1 1 A 91 91 PHE CB C 91 39.528 38.382 1.146 1
1 1144 . 20 1 1 A 91 91 PHE N N 91 121.769 119.983 1.786 1
1 1145 . 20 1 1 A 92 92 LYS H H 92 8.237 8.426 -0.189 1
1 1146 . 20 1 1 A 92 92 LYS HA H 92 4.217 4.300 -0.083 1
1 1153 . 20 1 1 A 92 92 LYS C C 92 179.621 179.448 0.173 1
1 1154 . 20 1 1 A 92 92 LYS CA C 92 58.597 60.103 -1.506 1
1 1155 . 20 1 1 A 92 92 LYS CB C 92 32.290 32.753 -0.463 1
1 1159 . 20 1 1 A 92 92 LYS N N 92 121.441 118.551 2.890 1
1 1160 . 20 1 1 A 93 93 LYS H H 93 8.013 7.521 0.492 1
1 1161 . 20 1 1 A 93 93 LYS HA H 93 3.956 4.051 -0.095 1
1 1169 . 20 1 1 A 93 93 LYS C C 93 178.611 179.365 -0.754 1
1 1170 . 20 1 1 A 93 93 LYS CA C 93 59.356 58.965 0.391 1
1 1171 . 20 1 1 A 93 93 LYS CB C 93 31.785 31.655 0.130 1
1 1175 . 20 1 1 A 93 93 LYS N N 93 122.286 118.245 4.041 1
1 1176 . 20 1 1 A 94 94 CYS H H 94 7.818 7.749 0.069 1
1 1177 . 20 1 1 A 94 94 CYS HA H 94 4.224 3.876 0.348 1
1 1180 . 20 1 1 A 94 94 CYS C C 94 176.440 175.744 0.696 1
1 1181 . 20 1 1 A 94 94 CYS CA C 94 62.517 62.396 0.121 1
1 1182 . 20 1 1 A 94 94 CYS CB C 94 28.104 26.202 1.902 1
1 1183 . 20 1 1 A 94 94 CYS N N 94 113.581 118.861 -5.280 1
1 1184 . 20 1 1 A 95 95 THR H H 95 8.038 7.059 0.979 1
1 1185 . 20 1 1 A 95 95 THR HA H 95 4.397 4.360 0.037 1
1 1190 . 20 1 1 A 95 95 THR C C 95 176.237 175.641 0.596 1
1 1191 . 20 1 1 A 95 95 THR CA C 95 62.507 61.722 0.785 1
1 1192 . 20 1 1 A 95 95 THR CB C 95 71.481 70.524 0.957 1
1 1194 . 20 1 1 A 95 95 THR N N 95 106.903 108.265 -1.362 1
1 1195 . 20 1 1 A 96 96 GLY H H 96 8.526 8.659 -0.133 1
1 1196 . 20 1 1 A 96 96 GLY HA2 H 96 3.724 3.847 -0.123 1
1 1197 . 20 1 1 A 96 96 GLY HA3 H 96 4.374 3.854 0.520 1
1 1198 . 20 1 1 A 96 96 GLY C C 96 172.550 173.341 -0.791 1
1 1199 . 20 1 1 A 96 96 GLY CA C 96 45.264 45.224 0.040 1
1 1200 . 20 1 1 A 96 96 GLY N N 96 112.762 111.443 1.319 1
1 1201 . 20 1 1 A 97 97 ALA H H 97 8.560 6.998 1.562 1
1 1202 . 20 1 1 A 97 97 ALA HA H 97 4.841 4.817 0.024 1
1 1206 . 20 1 1 A 97 97 ALA C C 97 175.280 175.618 -0.338 1
1 1207 . 20 1 1 A 97 97 ALA CA C 97 50.176 51.129 -0.953 1
1 1208 . 20 1 1 A 97 97 ALA CB C 97 22.551 22.941 -0.390 1
1 1209 . 20 1 1 A 97 97 ALA N N 97 125.656 120.899 4.757 1
1 1210 . 20 1 1 A 98 98 SER H H 98 8.817 8.919 -0.102 1
1 1211 . 20 1 1 A 98 98 SER HA H 98 4.656 4.702 -0.046 1
1 1212 . 20 1 1 A 98 98 SER CA C 98 56.612 57.402 -0.790 1
1 1213 . 20 1 1 A 98 98 SER N N 98 114.919 116.083 -1.164 1
1 1214 . 20 1 1 A 99 99 PRO HA H 99 3.500 4.577 -1.077 1
1 1220 . 20 1 1 A 99 99 PRO C C 99 177.585 178.159 -0.574 1
1 1221 . 20 1 1 A 99 99 PRO CA C 99 66.202 64.666 1.536 1
1 1222 . 20 1 1 A 99 99 PRO CB C 99 32.030 31.990 0.040 1
1 1225 . 20 1 1 A 100 100 SER H H 100 8.254 8.303 -0.049 1
1 1226 . 20 1 1 A 100 100 SER HA H 100 4.029 4.278 -0.249 1
1 1227 . 20 1 1 A 100 100 SER C C 100 177.441 176.858 0.583 1
1 1228 . 20 1 1 A 100 100 SER CA C 100 61.891 61.051 0.840 1
1 1229 . 20 1 1 A 100 100 SER N N 100 111.230 112.323 -1.093 1
1 1230 . 20 1 1 A 101 101 GLU H H 101 7.848 8.003 -0.155 1
1 1231 . 20 1 1 A 101 101 GLU HA H 101 4.021 4.094 -0.073 1
1 1236 . 20 1 1 A 101 101 GLU C C 101 179.288 178.764 0.524 1
1 1237 . 20 1 1 A 101 101 GLU CA C 101 58.822 59.352 -0.530 1
1 1238 . 20 1 1 A 101 101 GLU CB C 101 29.846 29.708 0.138 1
1 1240 . 20 1 1 A 101 101 GLU N N 101 125.150 122.452 2.698 1
1 1241 . 20 1 1 A 102 102 PHE H H 102 8.923 8.144 0.779 1
1 1242 . 20 1 1 A 102 102 PHE HA H 102 4.155 4.143 0.012 1
1 1245 . 20 1 1 A 102 102 PHE C C 102 178.343 177.708 0.635 1
1 1246 . 20 1 1 A 102 102 PHE CA C 102 61.315 61.313 0.002 1
1 1247 . 20 1 1 A 102 102 PHE CB C 102 40.083 39.473 0.610 1
1 1248 . 20 1 1 A 102 102 PHE N N 102 121.281 120.494 0.787 1
1 1249 . 20 1 1 A 103 103 ARG H H 103 8.210 8.630 -0.420 1
1 1250 . 20 1 1 A 103 103 ARG HA H 103 3.830 4.059 -0.229 1
1 1257 . 20 1 1 A 103 103 ARG C C 103 177.602 178.703 -1.101 1
1 1258 . 20 1 1 A 103 103 ARG CA C 103 59.235 59.554 -0.319 1
1 1261 . 20 1 1 A 103 103 ARG N N 103 119.223 119.094 0.129 1
1 1262 . 20 1 1 A 104 104 ALA H H 104 7.905 7.355 0.550 1
1 1263 . 20 1 1 A 104 104 ALA HA H 104 4.186 4.187 -0.001 1
1 1267 . 20 1 1 A 104 104 ALA C C 104 179.126 178.044 1.082 1
1 1268 . 20 1 1 A 104 104 ALA CA C 104 54.188 52.718 1.470 1
1 1269 . 20 1 1 A 104 104 ALA CB C 104 18.254 19.595 -1.341 1
1 1270 . 20 1 1 A 104 104 ALA N N 104 120.546 120.027 0.519 1
1 1271 . 20 1 1 A 105 105 GLY H H 105 7.676 7.763 -0.087 1
1 1272 . 20 1 1 A 105 105 GLY HA2 H 105 3.849 3.776 0.073 1
1 1273 . 20 1 1 A 105 105 GLY HA3 H 105 4.052 3.847 0.205 1
1 1274 . 20 1 1 A 105 105 GLY C C 105 174.515 174.081 0.434 1
1 1275 . 20 1 1 A 105 105 GLY CA C 105 45.317 45.691 -0.374 1
1 1276 . 20 1 1 A 105 105 GLY N N 105 104.677 107.456 -2.779 1
1 1277 . 20 1 1 A 106 106 CYS H H 106 7.599 7.894 -0.295 1
1 1278 . 20 1 1 A 106 106 CYS HA H 106 4.447 4.569 -0.122 1
1 1281 . 20 1 1 A 106 106 CYS C C 106 173.823 174.028 -0.205 1
1 1282 . 20 1 1 A 106 106 CYS CA C 106 59.123 58.478 0.645 1
1 1283 . 20 1 1 A 106 106 CYS CB C 106 28.004 28.962 -0.958 1
1 1284 . 20 1 1 A 106 106 CYS N N 106 118.321 119.938 -1.617 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 102 0.870 1
2 1 1 1 "RMS(OBS, PRED)" CA 104 1.002 1
3 1 1 1 "RMS(OBS, PRED)" CB 92 1.010 1
4 1 1 1 "RMS(OBS, PRED)" H 102 0.503 1
5 1 1 1 "RMS(OBS, PRED)" HA 109 0.295 1
6 1 1 1 "RMS(OBS, PRED)" N 102 2.281 1
7 1 2 1 "RMS(OBS, PRED)" C 102 0.827 1
8 1 2 1 "RMS(OBS, PRED)" CA 104 0.997 1
9 1 2 1 "RMS(OBS, PRED)" CB 92 0.955 1
10 1 2 1 "RMS(OBS, PRED)" H 102 0.509 1
11 1 2 1 "RMS(OBS, PRED)" HA 109 0.309 1
12 1 2 1 "RMS(OBS, PRED)" N 102 2.336 1
13 1 3 1 "RMS(OBS, PRED)" C 102 0.898 1
14 1 3 1 "RMS(OBS, PRED)" CA 104 1.004 1
15 1 3 1 "RMS(OBS, PRED)" CB 92 0.926 1
16 1 3 1 "RMS(OBS, PRED)" H 102 0.496 1
17 1 3 1 "RMS(OBS, PRED)" HA 109 0.293 1
18 1 3 1 "RMS(OBS, PRED)" N 102 2.249 1
19 1 4 1 "RMS(OBS, PRED)" C 102 0.873 1
20 1 4 1 "RMS(OBS, PRED)" CA 104 1.008 1
21 1 4 1 "RMS(OBS, PRED)" CB 92 0.938 1
22 1 4 1 "RMS(OBS, PRED)" H 102 0.528 1
23 1 4 1 "RMS(OBS, PRED)" HA 109 0.300 1
24 1 4 1 "RMS(OBS, PRED)" N 102 2.325 1
25 1 5 1 "RMS(OBS, PRED)" C 102 0.879 1
26 1 5 1 "RMS(OBS, PRED)" CA 104 1.010 1
27 1 5 1 "RMS(OBS, PRED)" CB 92 0.902 1
28 1 5 1 "RMS(OBS, PRED)" H 102 0.504 1
29 1 5 1 "RMS(OBS, PRED)" HA 109 0.295 1
30 1 5 1 "RMS(OBS, PRED)" N 102 2.205 1
31 1 6 1 "RMS(OBS, PRED)" C 102 0.890 1
32 1 6 1 "RMS(OBS, PRED)" CA 104 0.974 1
33 1 6 1 "RMS(OBS, PRED)" CB 92 0.950 1
34 1 6 1 "RMS(OBS, PRED)" H 102 0.498 1
35 1 6 1 "RMS(OBS, PRED)" HA 109 0.281 1
36 1 6 1 "RMS(OBS, PRED)" N 102 2.272 1
37 1 7 1 "RMS(OBS, PRED)" C 102 0.874 1
38 1 7 1 "RMS(OBS, PRED)" CA 104 0.963 1
39 1 7 1 "RMS(OBS, PRED)" CB 92 0.971 1
40 1 7 1 "RMS(OBS, PRED)" H 102 0.505 1
41 1 7 1 "RMS(OBS, PRED)" HA 109 0.293 1
42 1 7 1 "RMS(OBS, PRED)" N 102 2.253 1
43 1 8 1 "RMS(OBS, PRED)" C 102 0.878 1
44 1 8 1 "RMS(OBS, PRED)" CA 104 0.969 1
45 1 8 1 "RMS(OBS, PRED)" CB 92 0.928 1
46 1 8 1 "RMS(OBS, PRED)" H 102 0.499 1
47 1 8 1 "RMS(OBS, PRED)" HA 109 0.281 1
48 1 8 1 "RMS(OBS, PRED)" N 102 2.268 1
49 1 9 1 "RMS(OBS, PRED)" C 102 0.869 1
50 1 9 1 "RMS(OBS, PRED)" CA 104 0.998 1
51 1 9 1 "RMS(OBS, PRED)" CB 92 0.952 1
52 1 9 1 "RMS(OBS, PRED)" H 102 0.486 1
53 1 9 1 "RMS(OBS, PRED)" HA 109 0.285 1
54 1 9 1 "RMS(OBS, PRED)" N 102 2.321 1
55 1 10 1 "RMS(OBS, PRED)" C 102 0.868 1
56 1 10 1 "RMS(OBS, PRED)" CA 104 0.968 1
57 1 10 1 "RMS(OBS, PRED)" CB 92 0.976 1
58 1 10 1 "RMS(OBS, PRED)" H 102 0.488 1
59 1 10 1 "RMS(OBS, PRED)" HA 109 0.302 1
60 1 10 1 "RMS(OBS, PRED)" N 102 2.392 1
61 1 11 1 "RMS(OBS, PRED)" C 102 0.870 1
62 1 11 1 "RMS(OBS, PRED)" CA 104 1.026 1
63 1 11 1 "RMS(OBS, PRED)" CB 92 0.958 1
64 1 11 1 "RMS(OBS, PRED)" H 102 0.512 1
65 1 11 1 "RMS(OBS, PRED)" HA 109 0.283 1
66 1 11 1 "RMS(OBS, PRED)" N 102 2.337 1
67 1 12 1 "RMS(OBS, PRED)" C 102 0.826 1
68 1 12 1 "RMS(OBS, PRED)" CA 104 1.029 1
69 1 12 1 "RMS(OBS, PRED)" CB 92 0.939 1
70 1 12 1 "RMS(OBS, PRED)" H 102 0.476 1
71 1 12 1 "RMS(OBS, PRED)" HA 109 0.318 1
72 1 12 1 "RMS(OBS, PRED)" N 102 2.283 1
73 1 13 1 "RMS(OBS, PRED)" C 102 0.854 1
74 1 13 1 "RMS(OBS, PRED)" CA 104 1.050 1
75 1 13 1 "RMS(OBS, PRED)" CB 92 0.954 1
76 1 13 1 "RMS(OBS, PRED)" H 102 0.510 1
77 1 13 1 "RMS(OBS, PRED)" HA 109 0.285 1
78 1 13 1 "RMS(OBS, PRED)" N 102 2.251 1
79 1 14 1 "RMS(OBS, PRED)" C 102 0.843 1
80 1 14 1 "RMS(OBS, PRED)" CA 104 1.036 1
81 1 14 1 "RMS(OBS, PRED)" CB 92 0.926 1
82 1 14 1 "RMS(OBS, PRED)" H 102 0.500 1
83 1 14 1 "RMS(OBS, PRED)" HA 109 0.278 1
84 1 14 1 "RMS(OBS, PRED)" N 102 2.209 1
85 1 15 1 "RMS(OBS, PRED)" C 102 0.872 1
86 1 15 1 "RMS(OBS, PRED)" CA 104 0.974 1
87 1 15 1 "RMS(OBS, PRED)" CB 92 0.968 1
88 1 15 1 "RMS(OBS, PRED)" H 102 0.505 1
89 1 15 1 "RMS(OBS, PRED)" HA 109 0.278 1
90 1 15 1 "RMS(OBS, PRED)" N 102 2.249 1
91 1 16 1 "RMS(OBS, PRED)" C 102 0.883 1
92 1 16 1 "RMS(OBS, PRED)" CA 104 1.021 1
93 1 16 1 "RMS(OBS, PRED)" CB 92 0.933 1
94 1 16 1 "RMS(OBS, PRED)" H 102 0.517 1
95 1 16 1 "RMS(OBS, PRED)" HA 109 0.275 1
96 1 16 1 "RMS(OBS, PRED)" N 102 2.268 1
97 1 17 1 "RMS(OBS, PRED)" C 102 0.858 1
98 1 17 1 "RMS(OBS, PRED)" CA 104 0.977 1
99 1 17 1 "RMS(OBS, PRED)" CB 92 0.932 1
100 1 17 1 "RMS(OBS, PRED)" H 102 0.517 1
101 1 17 1 "RMS(OBS, PRED)" HA 109 0.292 1
102 1 17 1 "RMS(OBS, PRED)" N 102 2.301 1
103 1 18 1 "RMS(OBS, PRED)" C 102 0.928 1
104 1 18 1 "RMS(OBS, PRED)" CA 104 1.023 1
105 1 18 1 "RMS(OBS, PRED)" CB 92 0.968 1
106 1 18 1 "RMS(OBS, PRED)" H 102 0.483 1
107 1 18 1 "RMS(OBS, PRED)" HA 109 0.296 1
108 1 18 1 "RMS(OBS, PRED)" N 102 2.327 1
109 1 19 1 "RMS(OBS, PRED)" C 102 0.854 1
110 1 19 1 "RMS(OBS, PRED)" CA 104 1.017 1
111 1 19 1 "RMS(OBS, PRED)" CB 92 0.909 1
112 1 19 1 "RMS(OBS, PRED)" H 102 0.518 1
113 1 19 1 "RMS(OBS, PRED)" HA 109 0.286 1
114 1 19 1 "RMS(OBS, PRED)" N 102 2.268 1
115 1 20 1 "RMS(OBS, PRED)" C 102 0.876 1
116 1 20 1 "RMS(OBS, PRED)" CA 104 0.967 1
117 1 20 1 "RMS(OBS, PRED)" CB 92 0.938 1
118 1 20 1 "RMS(OBS, PRED)" H 102 0.505 1
119 1 20 1 "RMS(OBS, PRED)" HA 109 0.319 1
120 1 20 1 "RMS(OBS, PRED)" N 102 2.335 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 14 . 1 1 A 2 2 ASP H H 2 8.989 8.517 0.472 2
1 15 . 1 1 A 2 2 ASP HA H 2 4.662 4.684 -0.022 2
1 18 . 1 1 A 2 2 ASP C C 2 177.024 177.101 -0.077 2
1 19 . 1 1 A 2 2 ASP CA C 2 54.092 54.208 -0.116 2
1 20 . 1 1 A 2 2 ASP CB C 2 42.743 42.692 0.051 2
1 21 . 1 1 A 2 2 ASP N N 2 126.287 124.215 2.072 2
1 22 . 1 1 A 3 3 ASN H H 3 9.165 8.907 0.258 2
1 23 . 1 1 A 3 3 ASN HA H 3 4.446 4.343 0.103 2
1 28 . 1 1 A 3 3 ASN C C 3 177.306 177.326 -0.020 2
1 29 . 1 1 A 3 3 ASN CA C 3 56.355 56.624 -0.269 2
1 30 . 1 1 A 3 3 ASN CB C 3 38.382 38.016 0.366 2
1 32 . 1 1 A 3 3 ASN N N 3 124.055 122.994 1.061 2
1 34 . 1 1 A 4 4 ARG H H 4 9.092 7.857 1.235 2
1 35 . 1 1 A 4 4 ARG HA H 4 4.183 4.027 0.156 2
1 42 . 1 1 A 4 4 ARG C C 4 178.824 178.660 0.164 2
1 43 . 1 1 A 4 4 ARG CA C 4 59.401 59.370 0.031 2
1 44 . 1 1 A 4 4 ARG CB C 4 29.437 30.147 -0.710 2
1 47 . 1 1 A 4 4 ARG N N 4 119.970 119.628 0.342 2
1 48 . 1 1 A 5 5 VAL H H 5 7.588 7.965 -0.377 2
1 49 . 1 1 A 5 5 VAL HA H 5 3.458 3.625 -0.167 2
1 57 . 1 1 A 5 5 VAL C C 5 177.573 177.930 -0.357 2
1 58 . 1 1 A 5 5 VAL CA C 5 66.543 66.564 -0.021 2
1 59 . 1 1 A 5 5 VAL CB C 5 31.294 31.207 0.087 2
1 62 . 1 1 A 5 5 VAL N N 5 119.312 119.194 0.118 2
1 63 . 1 1 A 6 6 ARG H H 6 7.920 8.277 -0.357 2
1 64 . 1 1 A 6 6 ARG HA H 6 3.860 3.868 -0.008 2
1 71 . 1 1 A 6 6 ARG C C 6 179.380 178.810 0.570 2
1 72 . 1 1 A 6 6 ARG CA C 6 60.197 59.630 0.567 2
1 73 . 1 1 A 6 6 ARG CB C 6 29.818 29.810 0.008 2
1 76 . 1 1 A 6 6 ARG N N 6 120.863 120.073 0.790 2
1 77 . 1 1 A 7 7 GLU H H 7 8.262 8.021 0.241 2
1 78 . 1 1 A 7 7 GLU HA H 7 4.241 4.132 0.109 2
1 83 . 1 1 A 7 7 GLU C C 7 179.131 179.074 0.057 2
1 84 . 1 1 A 7 7 GLU CA C 7 58.770 59.331 -0.561 2
1 85 . 1 1 A 7 7 GLU CB C 7 28.883 29.238 -0.355 2
1 87 . 1 1 A 7 7 GLU N N 7 119.166 119.267 -0.101 2
1 88 . 1 1 A 8 8 ALA H H 8 8.421 8.035 0.386 2
1 89 . 1 1 A 8 8 ALA HA H 8 4.046 4.412 -0.366 2
1 93 . 1 1 A 8 8 ALA C C 8 179.202 180.070 -0.868 2
1 94 . 1 1 A 8 8 ALA CA C 8 55.610 55.281 0.329 2
1 95 . 1 1 A 8 8 ALA CB C 8 18.512 18.541 -0.029 2
1 96 . 1 1 A 8 8 ALA N N 8 123.947 122.101 1.846 2
1 97 . 1 1 A 9 9 CYS H H 9 8.490 8.203 0.287 2
1 98 . 1 1 A 9 9 CYS HA H 9 3.767 4.389 -0.622 2
1 101 . 1 1 A 9 9 CYS C C 9 176.858 177.408 -0.550 2
1 102 . 1 1 A 9 9 CYS CA C 9 64.480 62.468 2.012 2
1 103 . 1 1 A 9 9 CYS CB C 9 26.690 27.300 -0.610 2
1 104 . 1 1 A 9 9 CYS N N 9 116.232 117.143 -0.911 2
1 105 . 1 1 A 10 10 GLN H H 10 8.088 8.047 0.041 2
1 106 . 1 1 A 10 10 GLN HA H 10 4.022 4.194 -0.172 2
1 113 . 1 1 A 10 10 GLN C C 10 177.140 178.243 -1.103 2
1 114 . 1 1 A 10 10 GLN CA C 10 58.804 58.946 -0.142 2
1 115 . 1 1 A 10 10 GLN CB C 10 28.299 28.589 -0.290 2
1 118 . 1 1 A 10 10 GLN N N 10 120.817 120.821 -0.004 2
1 120 . 1 1 A 11 11 TYR H H 11 8.367 7.883 0.484 2
1 121 . 1 1 A 11 11 TYR HA H 11 4.308 4.169 0.139 2
1 128 . 1 1 A 11 11 TYR C C 11 178.986 177.150 1.836 2
1 129 . 1 1 A 11 11 TYR CA C 11 61.850 61.428 0.422 2
1 130 . 1 1 A 11 11 TYR CB C 11 38.653 38.581 0.072 2
1 135 . 1 1 A 11 11 TYR N N 11 120.419 121.033 -0.614 2
1 136 . 1 1 A 12 12 ILE H H 12 8.886 8.392 0.494 2
1 137 . 1 1 A 12 12 ILE HA H 12 3.700 3.380 0.320 2
1 147 . 1 1 A 12 12 ILE C C 12 179.352 177.942 1.410 2
1 148 . 1 1 A 12 12 ILE CA C 12 65.621 65.202 0.419 2
1 149 . 1 1 A 12 12 ILE CB C 12 38.203 38.016 0.187 2
1 153 . 1 1 A 12 12 ILE N N 12 119.720 121.488 -1.768 2
1 154 . 1 1 A 13 13 SER H H 13 8.740 8.326 0.414 2
1 155 . 1 1 A 13 13 SER HA H 13 4.753 4.090 0.663 2
1 158 . 1 1 A 13 13 SER C C 13 176.355 176.729 -0.374 2
1 159 . 1 1 A 13 13 SER CA C 13 62.551 61.580 0.971 2
1 160 . 1 1 A 13 13 SER CB C 13 62.468 62.667 -0.199 2
1 161 . 1 1 A 13 13 SER N N 13 116.217 116.154 0.063 2
1 162 . 1 1 A 14 14 ASP H H 14 8.426 8.035 0.391 2
1 163 . 1 1 A 14 14 ASP HA H 14 4.438 4.410 0.028 2
1 166 . 1 1 A 14 14 ASP C C 14 176.838 177.636 -0.798 2
1 167 . 1 1 A 14 14 ASP CA C 14 55.988 56.886 -0.898 2
1 168 . 1 1 A 14 14 ASP CB C 14 40.500 40.815 -0.315 2
1 169 . 1 1 A 14 14 ASP N N 14 121.201 121.889 -0.688 2
1 170 . 1 1 A 15 15 HIS H H 15 7.530 7.521 0.009 2
1 171 . 1 1 A 15 15 HIS HA H 15 4.661 4.660 0.001 2
1 176 . 1 1 A 15 15 HIS C C 15 175.451 175.568 -0.117 2
1 177 . 1 1 A 15 15 HIS CA C 15 55.320 55.378 -0.058 2
1 178 . 1 1 A 15 15 HIS CB C 15 28.275 29.298 -1.023 2
1 181 . 1 1 A 15 15 HIS N N 15 116.777 115.292 1.485 2
1 182 . 1 1 A 16 16 LEU H H 16 7.271 7.470 -0.199 2
1 183 . 1 1 A 16 16 LEU HA H 16 3.812 3.800 0.012 2
1 193 . 1 1 A 16 16 LEU C C 16 176.627 178.254 -1.627 2
1 194 . 1 1 A 16 16 LEU CA C 16 58.076 57.689 0.387 2
1 195 . 1 1 A 16 16 LEU CB C 16 42.531 41.364 1.167 2
1 199 . 1 1 A 16 16 LEU N N 16 122.531 122.450 0.081 2
1 200 . 1 1 A 17 17 ALA H H 17 8.243 7.243 1.000 2
1 201 . 1 1 A 17 17 ALA HA H 17 3.937 4.265 -0.328 2
1 205 . 1 1 A 17 17 ALA C C 17 177.131 177.007 0.124 2
1 206 . 1 1 A 17 17 ALA CA C 17 51.802 51.975 -0.173 2
1 207 . 1 1 A 17 17 ALA CB C 17 18.473 20.000 -1.527 2
1 208 . 1 1 A 17 17 ALA N N 17 116.354 119.443 -3.089 2
1 209 . 1 1 A 18 18 ASP H H 18 7.488 7.501 -0.013 2
1 210 . 1 1 A 18 18 ASP HA H 18 4.455 4.478 -0.023 2
1 213 . 1 1 A 18 18 ASP C C 18 177.370 176.142 1.228 2
1 214 . 1 1 A 18 18 ASP CA C 18 54.571 54.458 0.113 2
1 215 . 1 1 A 18 18 ASP CB C 18 40.521 42.035 -1.514 2
1 216 . 1 1 A 18 18 ASP N N 18 119.230 118.841 0.389 2
1 217 . 1 1 A 19 19 SER H H 19 8.793 8.796 -0.003 2
1 218 . 1 1 A 19 19 SER HA H 19 4.424 4.511 -0.087 2
1 221 . 1 1 A 19 19 SER C C 19 174.779 174.788 -0.009 2
1 222 . 1 1 A 19 19 SER CA C 19 59.706 60.784 -1.078 2
1 223 . 1 1 A 19 19 SER CB C 19 63.351 63.832 -0.481 2
1 224 . 1 1 A 19 19 SER N N 19 119.892 118.339 1.553 2
1 225 . 1 1 A 20 20 ASN H H 20 8.520 8.006 0.514 2
1 226 . 1 1 A 20 20 ASN HA H 20 4.869 4.910 -0.041 2
1 231 . 1 1 A 20 20 ASN C C 20 173.838 174.533 -0.695 2
1 232 . 1 1 A 20 20 ASN CA C 20 52.586 53.324 -0.738 2
1 233 . 1 1 A 20 20 ASN CB C 20 38.799 38.455 0.344 2
1 235 . 1 1 A 20 20 ASN N N 20 119.769 119.016 0.753 2
1 237 . 1 1 A 21 21 PHE H H 21 8.082 9.013 -0.931 2
1 238 . 1 1 A 21 21 PHE HA H 21 4.397 5.209 -0.812 2
1 246 . 1 1 A 21 21 PHE C C 21 173.520 173.483 0.037 2
1 247 . 1 1 A 21 21 PHE CA C 21 58.672 56.651 2.021 2
1 248 . 1 1 A 21 21 PHE CB C 21 40.704 41.674 -0.970 2
1 254 . 1 1 A 21 21 PHE N N 21 121.875 126.246 -4.371 2
1 255 . 1 1 A 22 22 ASP H H 22 7.570 8.545 -0.975 2
1 256 . 1 1 A 22 22 ASP HA H 22 4.563 4.808 -0.245 2
1 259 . 1 1 A 22 22 ASP C C 22 175.674 175.908 -0.234 2
1 260 . 1 1 A 22 22 ASP CA C 22 52.049 52.290 -0.241 2
1 261 . 1 1 A 22 22 ASP CB C 22 43.023 42.121 0.902 2
1 262 . 1 1 A 22 22 ASP N N 22 126.780 127.522 -0.742 2
1 263 . 1 1 A 23 23 ILE H H 23 8.720 8.335 0.385 2
1 264 . 1 1 A 23 23 ILE HA H 23 3.555 3.605 -0.050 2
1 274 . 1 1 A 23 23 ILE C C 23 176.441 177.384 -0.943 2
1 275 . 1 1 A 23 23 ILE CA C 23 63.650 63.355 0.295 2
1 276 . 1 1 A 23 23 ILE CB C 23 37.741 37.830 -0.089 2
1 280 . 1 1 A 23 23 ILE N N 23 124.815 126.432 -1.617 2
1 281 . 1 1 A 24 24 ALA H H 24 8.543 8.153 0.390 2
1 282 . 1 1 A 24 24 ALA HA H 24 3.917 4.027 -0.110 2
1 286 . 1 1 A 24 24 ALA C C 24 180.227 179.601 0.626 2
1 287 . 1 1 A 24 24 ALA CA C 24 55.413 55.335 0.078 2
1 288 . 1 1 A 24 24 ALA CB C 24 17.760 17.906 -0.146 2
1 289 . 1 1 A 24 24 ALA N N 24 123.943 124.203 -0.260 2
1 290 . 1 1 A 25 25 SER H H 25 7.844 7.893 -0.049 2
1 291 . 1 1 A 25 25 SER HA H 25 4.246 4.051 0.195 2
1 293 . 1 1 A 25 25 SER C C 25 176.667 176.351 0.316 2
1 294 . 1 1 A 25 25 SER CA C 25 61.238 61.614 -0.376 2
1 295 . 1 1 A 25 25 SER CB C 25 62.402 62.918 -0.516 2
1 296 . 1 1 A 25 25 SER N N 25 114.143 113.434 0.709 2
1 297 . 1 1 A 26 26 VAL H H 26 7.086 7.758 -0.672 2
1 298 . 1 1 A 26 26 VAL HA H 26 3.198 3.661 -0.463 2
1 306 . 1 1 A 26 26 VAL C C 26 176.670 178.099 -1.429 2
1 307 . 1 1 A 26 26 VAL CA C 26 64.809 66.695 -1.886 2
1 308 . 1 1 A 26 26 VAL CB C 26 31.274 31.609 -0.335 2
1 311 . 1 1 A 26 26 VAL N N 26 122.369 122.085 0.284 2
1 312 . 1 1 A 27 27 ALA H H 27 8.043 7.868 0.175 2
1 313 . 1 1 A 27 27 ALA HA H 27 3.775 3.972 -0.197 2
1 317 . 1 1 A 27 27 ALA C C 27 178.948 179.404 -0.456 2
1 318 . 1 1 A 27 27 ALA CA C 27 55.507 55.578 -0.071 2
1 319 . 1 1 A 27 27 ALA CB C 27 17.412 17.906 -0.494 2
1 320 . 1 1 A 27 27 ALA N N 27 122.045 122.077 -0.032 2
1 321 . 1 1 A 28 28 GLN H H 28 8.089 8.041 0.048 2
1 322 . 1 1 A 28 28 GLN HA H 28 4.053 4.044 0.009 2
1 329 . 1 1 A 28 28 GLN C C 28 179.289 178.376 0.912 2
1 330 . 1 1 A 28 28 GLN CA C 28 58.625 58.642 -0.017 2
1 331 . 1 1 A 28 28 GLN CB C 28 28.155 28.235 -0.080 2
1 334 . 1 1 A 28 28 GLN N N 28 116.168 117.873 -1.705 2
1 336 . 1 1 A 29 29 HIS H H 29 7.454 7.996 -0.542 2
1 337 . 1 1 A 29 29 HIS HA H 29 4.209 4.076 0.133 2
1 342 . 1 1 A 29 29 HIS C C 29 175.895 176.882 -0.987 2
1 343 . 1 1 A 29 29 HIS CA C 29 59.132 59.328 -0.196 2
1 344 . 1 1 A 29 29 HIS CB C 29 28.947 29.672 -0.724 2
1 347 . 1 1 A 29 29 HIS N N 29 118.117 119.949 -1.832 2
1 348 . 1 1 A 30 30 VAL H H 30 7.309 7.059 0.250 2
1 349 . 1 1 A 30 30 VAL HA H 30 4.441 4.070 0.371 2
1 357 . 1 1 A 30 30 VAL C C 30 173.598 174.722 -1.124 2
1 358 . 1 1 A 30 30 VAL CA C 30 59.948 60.564 -0.616 2
1 359 . 1 1 A 30 30 VAL CB C 30 31.067 31.007 0.060 2
1 362 . 1 1 A 30 30 VAL N N 30 106.791 109.614 -2.823 2
1 363 . 1 1 A 31 31 CYS H H 31 7.837 8.007 -0.170 2
1 364 . 1 1 A 31 31 CYS HA H 31 3.929 4.090 -0.161 2
1 367 . 1 1 A 31 31 CYS C C 31 173.679 173.390 0.289 2
1 368 . 1 1 A 31 31 CYS CA C 31 59.814 60.327 -0.513 2
1 369 . 1 1 A 31 31 CYS CB C 31 24.898 26.050 -1.152 2
1 370 . 1 1 A 31 31 CYS N N 31 116.363 117.943 -1.580 2
1 371 . 1 1 A 32 32 LEU H H 32 8.061 7.770 0.291 2
1 372 . 1 1 A 32 32 LEU HA H 32 4.871 4.811 0.060 2
1 382 . 1 1 A 32 32 LEU C C 32 176.243 175.431 0.812 2
1 383 . 1 1 A 32 32 LEU CA C 32 52.555 53.416 -0.861 2
1 384 . 1 1 A 32 32 LEU CB C 32 48.238 46.090 2.148 2
1 388 . 1 1 A 32 32 LEU N N 32 118.159 120.343 -2.184 2
1 389 . 1 1 A 33 33 SER H H 33 8.221 8.701 -0.480 2
1 390 . 1 1 A 33 33 SER N N 33 116.259 118.212 -1.953 2
1 391 . 1 1 A 34 34 PRO HA H 34 3.951 4.356 -0.405 2
1 398 . 1 1 A 34 34 PRO C C 34 178.473 178.504 -0.030 2
1 399 . 1 1 A 34 34 PRO CA C 34 66.404 64.942 1.462 2
1 400 . 1 1 A 34 34 PRO CB C 34 31.712 32.020 -0.308 2
1 403 . 1 1 A 35 35 SER H H 35 8.343 8.273 0.070 2
1 404 . 1 1 A 35 35 SER HA H 35 4.192 4.245 -0.053 2
1 406 . 1 1 A 35 35 SER C C 35 177.361 176.837 0.524 2
1 407 . 1 1 A 35 35 SER CA C 35 61.358 61.521 -0.163 2
1 408 . 1 1 A 35 35 SER CB C 35 62.140 62.782 -0.642 2
1 409 . 1 1 A 35 35 SER N N 35 111.653 113.307 -1.654 2
1 410 . 1 1 A 36 36 ARG H H 36 7.868 7.873 -0.005 2
1 411 . 1 1 A 36 36 ARG HA H 36 4.243 4.167 0.076 2
1 418 . 1 1 A 36 36 ARG C C 36 178.850 178.760 0.090 2
1 419 . 1 1 A 36 36 ARG CA C 36 58.714 58.739 -0.025 2
1 420 . 1 1 A 36 36 ARG CB C 36 29.804 29.985 -0.181 2
1 423 . 1 1 A 36 36 ARG N N 36 124.303 121.786 2.517 2
1 424 . 1 1 A 37 37 LEU H H 37 8.593 8.009 0.584 2
1 425 . 1 1 A 37 37 LEU HA H 37 4.052 4.132 -0.080 2
1 435 . 1 1 A 37 37 LEU C C 37 177.894 178.592 -0.698 2
1 436 . 1 1 A 37 37 LEU CA C 37 58.289 58.371 -0.082 2
1 437 . 1 1 A 37 37 LEU CB C 37 40.775 41.787 -1.012 2
1 441 . 1 1 A 37 37 LEU N N 37 119.319 121.820 -2.501 2
1 442 . 1 1 A 38 38 SER H H 38 8.478 8.433 0.045 2
1 443 . 1 1 A 38 38 SER HA H 38 4.066 4.229 -0.163 2
1 444 . 1 1 A 38 38 SER C C 38 176.577 176.508 0.069 2
1 445 . 1 1 A 38 38 SER CA C 38 62.824 61.483 1.341 2
1 446 . 1 1 A 38 38 SER N N 38 113.612 115.357 -1.745 2
1 447 . 1 1 A 39 39 HIS H H 39 7.983 7.640 0.343 2
1 448 . 1 1 A 39 39 HIS HA H 39 4.403 4.276 0.127 2
1 453 . 1 1 A 39 39 HIS C C 39 177.138 176.819 0.319 2
1 454 . 1 1 A 39 39 HIS CA C 39 59.316 60.047 -0.731 2
1 455 . 1 1 A 39 39 HIS CB C 39 29.226 30.182 -0.956 2
1 458 . 1 1 A 39 39 HIS N N 39 119.938 121.880 -1.942 2
1 459 . 1 1 A 40 40 LEU H H 40 8.432 8.215 0.217 2
1 460 . 1 1 A 40 40 LEU HA H 40 4.045 4.007 0.038 2
1 470 . 1 1 A 40 40 LEU C C 40 178.876 179.133 -0.257 2
1 471 . 1 1 A 40 40 LEU CA C 40 57.990 57.825 0.165 2
1 472 . 1 1 A 40 40 LEU CB C 40 42.609 41.821 0.788 2
1 476 . 1 1 A 40 40 LEU N N 40 120.053 118.811 1.242 2
1 477 . 1 1 A 41 41 PHE H H 41 8.937 8.776 0.161 2
1 478 . 1 1 A 41 41 PHE HA H 41 3.736 3.949 -0.213 2
1 486 . 1 1 A 41 41 PHE C C 41 178.022 177.707 0.315 2
1 487 . 1 1 A 41 41 PHE CA C 41 62.523 61.875 0.648 2
1 488 . 1 1 A 41 41 PHE CB C 41 39.534 39.053 0.481 2
1 494 . 1 1 A 41 41 PHE N N 41 120.491 119.714 0.777 2
1 495 . 1 1 A 42 42 ARG H H 42 8.009 8.208 -0.199 2
1 496 . 1 1 A 42 42 ARG HA H 42 4.021 4.400 -0.379 2
1 502 . 1 1 A 42 42 ARG C C 42 179.850 178.536 1.314 2
1 503 . 1 1 A 42 42 ARG CA C 42 59.243 59.138 0.105 2
1 504 . 1 1 A 42 42 ARG CB C 42 29.748 29.682 0.066 2
1 507 . 1 1 A 42 42 ARG N N 42 117.688 118.411 -0.723 2
1 508 . 1 1 A 43 43 GLN H H 43 8.286 7.518 0.768 2
1 509 . 1 1 A 43 43 GLN HA H 43 4.006 4.004 0.002 2
1 516 . 1 1 A 43 43 GLN C C 43 177.917 178.276 -0.359 2
1 517 . 1 1 A 43 43 GLN CA C 43 58.715 58.820 -0.105 2
1 518 . 1 1 A 43 43 GLN CB C 43 29.345 28.621 0.724 2
1 521 . 1 1 A 43 43 GLN N N 43 118.179 118.686 -0.507 2
1 523 . 1 1 A 44 44 GLN H H 44 8.296 8.176 0.120 2
1 524 . 1 1 A 44 44 GLN HA H 44 4.208 4.097 0.111 2
1 531 . 1 1 A 44 44 GLN C C 44 177.314 177.414 -0.100 2
1 532 . 1 1 A 44 44 GLN CA C 44 57.913 58.106 -0.193 2
1 533 . 1 1 A 44 44 GLN CB C 44 29.027 28.666 0.361 2
1 536 . 1 1 A 44 44 GLN N N 44 114.928 118.048 -3.120 2
1 538 . 1 1 A 45 45 LEU H H 45 8.463 8.025 0.438 2
1 539 . 1 1 A 45 45 LEU HA H 45 4.567 4.250 0.317 2
1 549 . 1 1 A 45 45 LEU C C 45 178.381 177.157 1.224 2
1 550 . 1 1 A 45 45 LEU CA C 45 54.564 55.089 -0.525 2
1 551 . 1 1 A 45 45 LEU CB C 45 43.031 42.359 0.672 2
1 555 . 1 1 A 45 45 LEU N N 45 117.028 117.104 -0.076 2
1 556 . 1 1 A 46 46 GLY H H 46 7.852 8.953 -1.101 2
1 557 . 1 1 A 46 46 GLY HA2 H 46 4.005 3.872 0.133 2
1 558 . 1 1 A 46 46 GLY HA3 H 46 4.167 3.881 0.286 2
1 559 . 1 1 A 46 46 GLY C C 46 173.114 173.458 -0.344 2
1 560 . 1 1 A 46 46 GLY CA C 46 46.080 45.929 0.151 2
1 561 . 1 1 A 46 46 GLY N N 46 108.569 107.356 1.213 2
1 562 . 1 1 A 47 47 ILE H H 47 7.281 7.545 -0.264 2
1 563 . 1 1 A 47 47 ILE HA H 47 4.735 4.882 -0.147 2
1 573 . 1 1 A 47 47 ILE C C 47 172.231 174.562 -2.331 2
1 574 . 1 1 A 47 47 ILE CA C 47 59.240 58.836 0.404 2
1 575 . 1 1 A 47 47 ILE CB C 47 42.470 42.087 0.383 2
1 579 . 1 1 A 47 47 ILE N N 47 115.396 115.885 -0.489 2
1 580 . 1 1 A 48 48 SER H H 48 8.298 8.820 -0.522 2
1 581 . 1 1 A 48 48 SER HA H 48 4.725 4.696 0.029 2
1 584 . 1 1 A 48 48 SER C C 48 174.600 175.836 -1.236 2
1 585 . 1 1 A 48 48 SER CA C 48 57.092 58.272 -1.180 2
1 586 . 1 1 A 48 48 SER CB C 48 65.286 64.107 1.179 2
1 587 . 1 1 A 48 48 SER N N 48 115.685 118.482 -2.797 2
1 588 . 1 1 A 49 49 VAL H H 49 8.296 8.787 -0.491 2
1 589 . 1 1 A 49 49 VAL HA H 49 3.081 3.890 -0.809 2
1 597 . 1 1 A 49 49 VAL C C 49 177.888 177.528 0.360 2
1 598 . 1 1 A 49 49 VAL CA C 49 65.881 66.846 -0.965 2
1 599 . 1 1 A 49 49 VAL CB C 49 31.149 31.599 -0.450 2
1 602 . 1 1 A 49 49 VAL N N 49 120.175 124.158 -3.983 2
1 603 . 1 1 A 50 50 LEU H H 50 8.138 8.249 -0.112 2
1 604 . 1 1 A 50 50 LEU HA H 50 4.011 4.074 -0.063 2
1 614 . 1 1 A 50 50 LEU C C 50 180.412 179.509 0.903 2
1 615 . 1 1 A 50 50 LEU CA C 50 57.962 58.057 -0.095 2
1 616 . 1 1 A 50 50 LEU CB C 50 41.224 41.289 -0.065 2
1 620 . 1 1 A 50 50 LEU N N 50 116.998 120.439 -3.441 2
1 621 . 1 1 A 51 51 SER H H 51 8.087 8.048 0.039 2
1 622 . 1 1 A 51 51 SER HA H 51 4.279 4.234 0.045 2
1 624 . 1 1 A 51 51 SER C C 51 176.081 176.481 -0.400 2
1 625 . 1 1 A 51 51 SER CA C 51 62.174 61.845 0.329 2
1 626 . 1 1 A 51 51 SER N N 51 117.207 114.894 2.313 2
1 627 . 1 1 A 52 52 TRP H H 52 8.913 8.375 0.538 2
1 628 . 1 1 A 52 52 TRP HA H 52 4.067 4.260 -0.193 2
1 637 . 1 1 A 52 52 TRP C C 52 178.579 178.044 0.535 2
1 638 . 1 1 A 52 52 TRP CA C 52 63.288 61.187 2.101 2
1 639 . 1 1 A 52 52 TRP CB C 52 29.159 29.882 -0.723 2
1 645 . 1 1 A 52 52 TRP N N 52 124.958 123.813 1.145 2
1 647 . 1 1 A 53 53 ARG H H 53 8.547 8.368 0.179 2
1 648 . 1 1 A 53 53 ARG HA H 53 3.578 3.532 0.046 2
1 654 . 1 1 A 53 53 ARG C C 53 177.290 178.790 -1.500 2
1 655 . 1 1 A 53 53 ARG CA C 53 60.443 59.500 0.943 2
1 656 . 1 1 A 53 53 ARG CB C 53 30.001 29.745 0.256 2
1 659 . 1 1 A 53 53 ARG N N 53 118.356 118.983 -0.627 2
1 660 . 1 1 A 54 54 GLU H H 54 8.002 7.674 0.328 2
1 661 . 1 1 A 54 54 GLU HA H 54 4.016 4.085 -0.069 2
1 666 . 1 1 A 54 54 GLU C C 54 178.460 178.395 0.065 2
1 667 . 1 1 A 54 54 GLU CA C 54 59.982 59.508 0.474 2
1 668 . 1 1 A 54 54 GLU CB C 54 29.759 29.221 0.538 2
1 670 . 1 1 A 54 54 GLU N N 54 118.818 119.017 -0.199 2
1 671 . 1 1 A 55 55 ASP H H 55 8.111 8.538 -0.427 2
1 672 . 1 1 A 55 55 ASP HA H 55 4.289 4.314 -0.025 2
1 675 . 1 1 A 55 55 ASP C C 55 179.313 178.439 0.874 2
1 676 . 1 1 A 55 55 ASP CA C 55 57.131 57.483 -0.352 2
1 677 . 1 1 A 55 55 ASP CB C 55 40.227 41.696 -1.469 2
1 678 . 1 1 A 55 55 ASP N N 55 119.156 120.070 -0.914 2
1 679 . 1 1 A 56 56 GLN H H 56 8.099 7.623 0.476 2
1 680 . 1 1 A 56 56 GLN HA H 56 3.781 3.862 -0.081 2
1 687 . 1 1 A 56 56 GLN C C 56 178.700 178.462 0.238 2
1 688 . 1 1 A 56 56 GLN CA C 56 57.487 58.720 -1.233 2
1 689 . 1 1 A 56 56 GLN CB C 56 27.430 27.809 -0.380 2
1 692 . 1 1 A 56 56 GLN N N 56 119.807 118.250 1.557 2
1 694 . 1 1 A 57 57 ARG H H 57 8.240 7.687 0.553 2
1 695 . 1 1 A 57 57 ARG HA H 57 3.898 3.989 -0.091 2
1 702 . 1 1 A 57 57 ARG C C 57 178.185 178.654 -0.468 2
1 703 . 1 1 A 57 57 ARG CA C 57 60.671 58.987 1.684 2
1 704 . 1 1 A 57 57 ARG CB C 57 31.221 29.783 1.438 2
1 707 . 1 1 A 57 57 ARG N N 57 120.129 119.251 0.878 2
1 708 . 1 1 A 58 58 ILE H H 58 7.885 7.833 0.052 2
1 709 . 1 1 A 58 58 ILE HA H 58 3.978 3.938 0.040 2
1 719 . 1 1 A 58 58 ILE C C 58 178.357 178.218 0.139 2
1 720 . 1 1 A 58 58 ILE CA C 58 61.684 65.100 -3.416 2
1 721 . 1 1 A 58 58 ILE CB C 58 34.538 37.668 -3.130 2
1 725 . 1 1 A 58 58 ILE N N 58 118.096 121.342 -3.246 2
1 726 . 1 1 A 59 59 SER H H 59 8.563 8.027 0.536 2
1 727 . 1 1 A 59 59 SER HA H 59 4.010 4.133 -0.123 2
1 728 . 1 1 A 59 59 SER C C 59 177.731 177.024 0.707 2
1 729 . 1 1 A 59 59 SER CA C 59 62.459 61.332 1.127 2
1 730 . 1 1 A 59 59 SER N N 59 117.208 115.971 1.237 2
1 731 . 1 1 A 60 60 GLN H H 60 8.471 8.004 0.467 2
1 732 . 1 1 A 60 60 GLN HA H 60 4.228 4.002 0.226 2
1 739 . 1 1 A 60 60 GLN C C 60 177.958 177.589 0.369 2
1 740 . 1 1 A 60 60 GLN CA C 60 58.233 58.471 -0.238 2
1 741 . 1 1 A 60 60 GLN CB C 60 27.288 28.742 -1.454 2
1 744 . 1 1 A 60 60 GLN N N 60 121.780 120.722 1.058 2
1 746 . 1 1 A 61 61 ALA H H 61 8.504 8.090 0.414 2
1 747 . 1 1 A 61 61 ALA HA H 61 3.947 3.944 0.003 2
1 751 . 1 1 A 61 61 ALA C C 61 179.360 179.642 -0.282 2
1 752 . 1 1 A 61 61 ALA CA C 61 55.413 55.133 0.280 2
1 753 . 1 1 A 61 61 ALA CB C 61 18.124 18.276 -0.152 2
1 754 . 1 1 A 61 61 ALA N N 61 122.352 122.144 0.208 2
1 755 . 1 1 A 62 62 LYS H H 62 8.776 7.937 0.839 2
1 756 . 1 1 A 62 62 LYS HA H 62 3.722 4.104 -0.382 2
1 765 . 1 1 A 62 62 LYS C C 62 179.330 179.092 0.238 2
1 766 . 1 1 A 62 62 LYS CA C 62 60.632 59.384 1.248 2
1 767 . 1 1 A 62 62 LYS CB C 62 32.580 32.119 0.461 2
1 771 . 1 1 A 62 62 LYS N N 62 117.072 117.254 -0.182 2
1 772 . 1 1 A 63 63 LEU H H 63 7.670 7.715 -0.045 2
1 773 . 1 1 A 63 63 LEU HA H 63 4.233 4.034 0.199 2
1 783 . 1 1 A 63 63 LEU C C 63 180.902 178.356 2.546 2
1 784 . 1 1 A 63 63 LEU CA C 63 58.446 58.112 0.334 2
1 785 . 1 1 A 63 63 LEU CB C 63 41.598 41.713 -0.115 2
1 789 . 1 1 A 63 63 LEU N N 63 121.196 121.434 -0.238 2
1 790 . 1 1 A 64 64 LEU H H 64 8.585 7.939 0.646 2
1 791 . 1 1 A 64 64 LEU HA H 64 4.088 4.016 0.072 2
1 801 . 1 1 A 64 64 LEU C C 64 180.869 179.099 1.770 2
1 802 . 1 1 A 64 64 LEU CA C 64 57.782 57.921 -0.139 2
1 803 . 1 1 A 64 64 LEU CB C 64 42.760 41.218 1.542 2
1 807 . 1 1 A 64 64 LEU N N 64 121.842 117.546 4.296 2
1 808 . 1 1 A 65 65 LEU H H 65 9.100 8.253 0.847 2
1 809 . 1 1 A 65 65 LEU HA H 65 4.346 4.185 0.161 2
1 819 . 1 1 A 65 65 LEU C C 65 178.659 178.872 -0.213 2
1 820 . 1 1 A 65 65 LEU CA C 65 57.408 57.523 -0.115 2
1 821 . 1 1 A 65 65 LEU CB C 65 43.013 41.005 2.008 2
1 825 . 1 1 A 65 65 LEU N N 65 119.872 120.275 -0.403 2
1 826 . 1 1 A 66 66 SER H H 66 8.303 7.876 0.427 2
1 827 . 1 1 A 66 66 SER HA H 66 4.211 4.351 -0.140 2
1 829 . 1 1 A 66 66 SER C C 66 176.580 175.872 0.708 2
1 830 . 1 1 A 66 66 SER CA C 66 60.155 61.115 -0.960 2
1 831 . 1 1 A 66 66 SER CB C 66 65.198 63.249 1.949 2
1 832 . 1 1 A 66 66 SER N N 66 110.490 114.911 -4.421 2
1 833 . 1 1 A 67 67 THR H H 67 7.901 7.765 0.136 2
1 834 . 1 1 A 67 67 THR HA H 67 4.812 4.428 0.384 2
1 839 . 1 1 A 67 67 THR C C 67 174.240 174.208 0.032 2
1 840 . 1 1 A 67 67 THR CA C 67 62.400 62.686 -0.286 2
1 841 . 1 1 A 67 67 THR CB C 67 71.512 69.617 1.895 2
1 843 . 1 1 A 67 67 THR N N 67 108.414 114.011 -5.597 2
1 844 . 1 1 A 68 68 THR H H 68 7.507 7.422 0.085 2
1 845 . 1 1 A 68 68 THR HA H 68 5.096 4.803 0.293 2
1 850 . 1 1 A 68 68 THR C C 68 174.263 174.080 0.183 2
1 851 . 1 1 A 68 68 THR CA C 68 60.124 59.569 0.555 2
1 852 . 1 1 A 68 68 THR CB C 68 72.795 72.029 0.766 2
1 854 . 1 1 A 68 68 THR N N 68 111.673 111.604 0.069 2
1 855 . 1 1 A 69 69 ARG H H 69 8.767 8.472 0.295 2
1 856 . 1 1 A 69 69 ARG HA H 69 4.422 4.642 -0.220 2
1 863 . 1 1 A 69 69 ARG C C 69 176.568 176.482 0.086 2
1 864 . 1 1 A 69 69 ARG CA C 69 53.692 55.212 -1.520 2
1 865 . 1 1 A 69 69 ARG CB C 69 28.814 30.610 -1.796 2
1 868 . 1 1 A 69 69 ARG N N 69 118.034 119.918 -1.884 2
1 869 . 1 1 A 70 70 MET H H 70 7.996 7.453 0.543 2
1 870 . 1 1 A 70 70 MET HA H 70 4.470 4.521 -0.051 2
1 878 . 1 1 A 70 70 MET CA C 70 55.386 55.261 0.125 2
1 879 . 1 1 A 70 70 MET CB C 70 34.080 32.392 1.688 2
1 882 . 1 1 A 70 70 MET N N 70 122.491 120.983 1.508 2
1 883 . 1 1 A 71 71 PRO HA H 71 4.574 4.524 0.050 2
1 890 . 1 1 A 71 71 PRO C C 71 177.204 177.183 0.021 2
1 891 . 1 1 A 71 71 PRO CA C 71 62.915 62.453 0.462 2
1 892 . 1 1 A 71 71 PRO CB C 71 32.380 32.784 -0.404 2
1 895 . 1 1 A 72 72 ILE H H 72 8.782 8.393 0.390 2
1 896 . 1 1 A 72 72 ILE HA H 72 3.407 3.759 -0.352 2
1 906 . 1 1 A 72 72 ILE C C 72 177.760 178.153 -0.393 2
1 907 . 1 1 A 72 72 ILE CA C 72 65.627 64.603 1.024 2
1 908 . 1 1 A 72 72 ILE CB C 72 36.771 37.679 -0.908 2
1 912 . 1 1 A 72 72 ILE N N 72 124.417 122.603 1.814 2
1 913 . 1 1 A 73 73 ALA H H 73 9.109 8.151 0.958 2
1 914 . 1 1 A 73 73 ALA HA H 73 3.974 4.049 -0.075 2
1 918 . 1 1 A 73 73 ALA C C 73 180.248 179.701 0.547 2
1 919 . 1 1 A 73 73 ALA CA C 73 55.232 55.260 -0.028 2
1 920 . 1 1 A 73 73 ALA CB C 73 18.338 18.269 0.069 2
1 921 . 1 1 A 73 73 ALA N N 73 119.077 123.559 -4.482 2
1 922 . 1 1 A 74 74 THR H H 74 7.112 7.980 -0.868 2
1 923 . 1 1 A 74 74 THR HA H 74 3.875 3.914 -0.039 2
1 928 . 1 1 A 74 74 THR C C 74 175.761 176.437 -0.676 2
1 929 . 1 1 A 74 74 THR CA C 74 65.841 66.738 -0.897 2
1 930 . 1 1 A 74 74 THR CB C 74 68.248 68.199 0.049 2
1 932 . 1 1 A 74 74 THR N N 74 114.866 114.877 -0.011 2
1 933 . 1 1 A 75 75 VAL H H 75 8.087 8.044 0.043 2
1 934 . 1 1 A 75 75 VAL HA H 75 3.305 3.500 -0.195 2
1 942 . 1 1 A 75 75 VAL C C 75 177.048 177.723 -0.675 2
1 943 . 1 1 A 75 75 VAL CA C 75 67.681 66.421 1.260 2
1 944 . 1 1 A 75 75 VAL CB C 75 30.831 31.167 -0.336 2
1 947 . 1 1 A 75 75 VAL N N 75 123.901 121.446 2.455 2
1 948 . 1 1 A 76 76 GLY H H 76 7.673 8.037 -0.364 2
1 949 . 1 1 A 76 76 GLY HA2 H 76 2.235 3.312 -1.077 2
1 950 . 1 1 A 76 76 GLY HA3 H 76 3.003 3.666 -0.663 2
1 951 . 1 1 A 76 76 GLY C C 76 176.562 175.768 0.794 2
1 952 . 1 1 A 76 76 GLY CA C 76 46.293 46.889 -0.596 2
1 953 . 1 1 A 76 76 GLY N N 76 102.438 107.521 -5.083 2
1 954 . 1 1 A 77 77 ARG H H 77 7.760 7.679 0.081 2
1 955 . 1 1 A 77 77 ARG HA H 77 3.982 4.004 -0.022 2
1 962 . 1 1 A 77 77 ARG C C 77 180.332 178.832 1.500 2
1 963 . 1 1 A 77 77 ARG CA C 77 59.550 59.118 0.432 2
1 964 . 1 1 A 77 77 ARG CB C 77 30.085 29.863 0.222 2
1 967 . 1 1 A 77 77 ARG N N 77 122.228 121.850 0.378 2
1 968 . 1 1 A 78 78 ASN H H 78 8.230 7.763 0.467 2
1 969 . 1 1 A 78 78 ASN HA H 78 4.397 4.442 -0.045 2
1 974 . 1 1 A 78 78 ASN C C 78 176.105 176.825 -0.720 2
1 975 . 1 1 A 78 78 ASN CA C 78 55.615 55.896 -0.281 2
1 976 . 1 1 A 78 78 ASN CB C 78 38.806 38.606 0.200 2
1 978 . 1 1 A 78 78 ASN N N 78 119.139 117.444 1.695 2
1 980 . 1 1 A 79 79 VAL H H 79 7.323 7.069 0.254 2
1 981 . 1 1 A 79 79 VAL HA H 79 4.438 4.230 0.208 2
1 989 . 1 1 A 79 79 VAL C C 79 174.220 175.698 -1.478 2
1 990 . 1 1 A 79 79 VAL CA C 79 59.911 60.802 -0.891 2
1 991 . 1 1 A 79 79 VAL CB C 79 31.400 31.102 0.298 2
1 994 . 1 1 A 79 79 VAL N N 79 108.664 111.367 -2.703 2
1 995 . 1 1 A 80 80 GLY H H 80 7.286 7.806 -0.520 2
1 996 . 1 1 A 80 80 GLY HA2 H 80 3.540 3.827 -0.287 2
1 997 . 1 1 A 80 80 GLY HA3 H 80 4.023 3.900 0.123 2
1 998 . 1 1 A 80 80 GLY C C 80 174.383 174.441 -0.058 2
1 999 . 1 1 A 80 80 GLY CA C 80 45.739 45.765 -0.026 2
1 1000 . 1 1 A 80 80 GLY N N 80 104.635 110.004 -5.368 2
1 1001 . 1 1 A 81 81 PHE H H 81 8.535 7.964 0.571 2
1 1002 . 1 1 A 81 81 PHE HA H 81 4.845 4.505 0.340 2
1 1010 . 1 1 A 81 81 PHE C C 81 174.570 175.579 -1.009 2
1 1011 . 1 1 A 81 81 PHE CA C 81 56.375 58.359 -1.984 2
1 1012 . 1 1 A 81 81 PHE CB C 81 39.941 39.423 0.518 2
1 1018 . 1 1 A 81 81 PHE N N 81 119.772 119.070 0.702 2
1 1019 . 1 1 A 82 82 ASP H H 82 8.564 8.925 -0.360 2
1 1020 . 1 1 A 82 82 ASP HA H 82 4.491 4.608 -0.117 2
1 1023 . 1 1 A 82 82 ASP C C 82 175.170 175.851 -0.681 2
1 1024 . 1 1 A 82 82 ASP CA C 82 55.195 56.068 -0.873 2
1 1025 . 1 1 A 82 82 ASP CB C 82 41.010 41.713 -0.703 2
1 1026 . 1 1 A 82 82 ASP N N 82 123.028 124.341 -1.313 2
1 1027 . 1 1 A 83 83 ASP H H 83 7.789 7.800 -0.011 2
1 1028 . 1 1 A 83 83 ASP HA H 83 4.947 4.881 0.066 2
1 1031 . 1 1 A 83 83 ASP C C 83 176.347 176.787 -0.440 2
1 1032 . 1 1 A 83 83 ASP CA C 83 52.690 53.906 -1.216 2
1 1033 . 1 1 A 83 83 ASP CB C 83 43.152 41.877 1.275 2
1 1034 . 1 1 A 83 83 ASP N N 83 118.576 119.356 -0.780 2
1 1035 . 1 1 A 84 84 GLN H H 84 9.104 8.812 0.292 2
1 1036 . 1 1 A 84 84 GLN HA H 84 4.333 4.113 0.220 2
1 1043 . 1 1 A 84 84 GLN C C 84 177.986 177.992 -0.006 2
1 1044 . 1 1 A 84 84 GLN CA C 84 58.909 58.804 0.105 2
1 1045 . 1 1 A 84 84 GLN CB C 84 28.267 28.097 0.170 2
1 1048 . 1 1 A 84 84 GLN N N 84 126.543 125.180 1.363 2
1 1050 . 1 1 A 85 85 LEU H H 85 8.419 8.148 0.271 2
1 1051 . 1 1 A 85 85 LEU HA H 85 4.210 4.182 0.028 2
1 1061 . 1 1 A 85 85 LEU C C 85 179.472 178.963 0.509 2
1 1062 . 1 1 A 85 85 LEU CA C 85 57.958 57.711 0.247 2
1 1063 . 1 1 A 85 85 LEU CB C 85 40.678 41.798 -1.120 2
1 1067 . 1 1 A 85 85 LEU N N 85 123.486 120.907 2.579 2
1 1068 . 1 1 A 86 86 TYR H H 86 8.042 8.488 -0.446 2
1 1069 . 1 1 A 86 86 TYR HA H 86 4.288 4.092 0.196 2
1 1076 . 1 1 A 86 86 TYR C C 86 177.195 177.340 -0.145 2
1 1077 . 1 1 A 86 86 TYR CA C 86 60.367 61.705 -1.338 2
1 1078 . 1 1 A 86 86 TYR CB C 86 38.184 38.377 -0.193 2
1 1083 . 1 1 A 86 86 TYR N N 86 122.679 120.019 2.660 2
1 1084 . 1 1 A 87 87 PHE H H 87 8.219 8.117 0.102 2
1 1085 . 1 1 A 87 87 PHE HA H 87 3.261 3.952 -0.691 2
1 1093 . 1 1 A 87 87 PHE C C 87 175.875 177.726 -1.851 2
1 1094 . 1 1 A 87 87 PHE CA C 87 58.536 62.006 -3.470 2
1 1095 . 1 1 A 87 87 PHE CB C 87 38.124 39.287 -1.163 2
1 1101 . 1 1 A 87 87 PHE N N 87 116.536 119.718 -3.182 2
1 1102 . 1 1 A 88 88 SER H H 88 8.082 8.185 -0.103 2
1 1103 . 1 1 A 88 88 SER HA H 88 3.951 3.995 -0.044 2
1 1105 . 1 1 A 88 88 SER C C 88 175.926 176.946 -1.020 2
1 1106 . 1 1 A 88 88 SER CA C 88 62.398 61.543 0.855 2
1 1107 . 1 1 A 88 88 SER N N 88 112.937 114.392 -1.455 2
1 1108 . 1 1 A 89 89 ARG H H 89 7.843 8.077 -0.234 2
1 1109 . 1 1 A 89 89 ARG HA H 89 3.975 4.070 -0.095 2
1 1116 . 1 1 A 89 89 ARG C C 89 179.414 178.914 0.500 2
1 1117 . 1 1 A 89 89 ARG CA C 89 59.452 59.194 0.257 2
1 1118 . 1 1 A 89 89 ARG CB C 89 30.242 30.061 0.181 2
1 1121 . 1 1 A 89 89 ARG N N 89 121.621 122.114 -0.493 2
1 1122 . 1 1 A 90 90 VAL H H 90 8.235 7.776 0.459 2
1 1123 . 1 1 A 90 90 VAL HA H 90 3.530 3.552 -0.022 2
1 1131 . 1 1 A 90 90 VAL C C 90 177.752 177.918 -0.166 2
1 1132 . 1 1 A 90 90 VAL CA C 90 66.208 65.868 0.340 2
1 1133 . 1 1 A 90 90 VAL CB C 90 31.649 31.689 -0.040 2
1 1136 . 1 1 A 90 90 VAL N N 90 122.095 119.737 2.358 2
1 1137 . 1 1 A 91 91 PHE H H 91 8.763 8.569 0.194 2
1 1138 . 1 1 A 91 91 PHE HA H 91 3.584 3.880 -0.296 2
1 1141 . 1 1 A 91 91 PHE C C 91 178.386 177.329 1.057 2
1 1142 . 1 1 A 91 91 PHE CA C 91 62.523 60.524 1.999 2
1 1143 . 1 1 A 91 91 PHE CB C 91 39.528 38.372 1.156 2
1 1144 . 1 1 A 91 91 PHE N N 91 121.769 120.498 1.271 2
1 1145 . 1 1 A 92 92 LYS H H 92 8.237 8.397 -0.160 2
1 1146 . 1 1 A 92 92 LYS HA H 92 4.217 4.249 -0.032 2
1 1153 . 1 1 A 92 92 LYS C C 92 179.621 179.229 0.392 2
1 1154 . 1 1 A 92 92 LYS CA C 92 58.597 59.993 -1.396 2
1 1155 . 1 1 A 92 92 LYS CB C 92 32.290 32.575 -0.285 2
1 1159 . 1 1 A 92 92 LYS N N 92 121.441 118.329 3.112 2
1 1160 . 1 1 A 93 93 LYS H H 93 8.013 7.563 0.450 2
1 1161 . 1 1 A 93 93 LYS HA H 93 3.956 4.053 -0.097 2
1 1169 . 1 1 A 93 93 LYS C C 93 178.611 179.218 -0.607 2
1 1170 . 1 1 A 93 93 LYS CA C 93 59.356 58.984 0.372 2
1 1171 . 1 1 A 93 93 LYS CB C 93 31.785 31.776 0.009 2
1 1175 . 1 1 A 93 93 LYS N N 93 122.286 118.343 3.943 2
1 1176 . 1 1 A 94 94 CYS H H 94 7.818 7.728 0.090 2
1 1177 . 1 1 A 94 94 CYS HA H 94 4.224 3.967 0.257 2
1 1180 . 1 1 A 94 94 CYS C C 94 176.440 175.996 0.444 2
1 1181 . 1 1 A 94 94 CYS CA C 94 62.517 62.404 0.113 2
1 1182 . 1 1 A 94 94 CYS CB C 94 28.104 26.518 1.586 2
1 1183 . 1 1 A 94 94 CYS N N 94 113.581 118.776 -5.195 2
1 1184 . 1 1 A 95 95 THR H H 95 8.038 7.152 0.886 2
1 1185 . 1 1 A 95 95 THR HA H 95 4.397 4.362 0.035 2
1 1190 . 1 1 A 95 95 THR C C 95 176.237 175.751 0.486 2
1 1191 . 1 1 A 95 95 THR CA C 95 62.507 61.776 0.731 2
1 1192 . 1 1 A 95 95 THR CB C 95 71.481 70.463 1.018 2
1 1194 . 1 1 A 95 95 THR N N 95 106.903 108.614 -1.711 2
1 1195 . 1 1 A 96 96 GLY H H 96 8.526 8.838 -0.312 2
1 1196 . 1 1 A 96 96 GLY HA2 H 96 3.724 3.846 -0.122 2
1 1197 . 1 1 A 96 96 GLY HA3 H 96 4.374 3.856 0.518 2
1 1198 . 1 1 A 96 96 GLY C C 96 172.550 173.335 -0.785 2
1 1199 . 1 1 A 96 96 GLY CA C 96 45.264 45.260 0.004 2
1 1200 . 1 1 A 96 96 GLY N N 96 112.762 111.432 1.330 2
1 1201 . 1 1 A 97 97 ALA H H 97 8.560 7.133 1.427 2
1 1202 . 1 1 A 97 97 ALA HA H 97 4.841 4.813 0.028 2
1 1206 . 1 1 A 97 97 ALA C C 97 175.280 176.059 -0.779 2
1 1207 . 1 1 A 97 97 ALA CA C 97 50.176 51.072 -0.896 2
1 1208 . 1 1 A 97 97 ALA CB C 97 22.551 22.822 -0.271 2
1 1209 . 1 1 A 97 97 ALA N N 97 125.656 120.887 4.769 2
1 1210 . 1 1 A 98 98 SER H H 98 8.817 8.703 0.114 2
1 1211 . 1 1 A 98 98 SER HA H 98 4.656 4.739 -0.083 2
1 1212 . 1 1 A 98 98 SER CA C 98 56.612 56.960 -0.348 2
1 1213 . 1 1 A 98 98 SER N N 98 114.919 115.056 -0.137 2
1 1214 . 1 1 A 99 99 PRO HA H 99 3.500 4.503 -1.003 2
1 1220 . 1 1 A 99 99 PRO C C 99 177.585 178.103 -0.518 2
1 1221 . 1 1 A 99 99 PRO CA C 99 66.202 64.612 1.590 2
1 1222 . 1 1 A 99 99 PRO CB C 99 32.030 31.906 0.124 2
1 1225 . 1 1 A 100 100 SER H H 100 8.254 8.256 -0.002 2
1 1226 . 1 1 A 100 100 SER HA H 100 4.029 4.271 -0.242 2
1 1227 . 1 1 A 100 100 SER C C 100 177.441 176.865 0.576 2
1 1228 . 1 1 A 100 100 SER CA C 100 61.891 61.108 0.783 2
1 1229 . 1 1 A 100 100 SER N N 100 111.230 112.711 -1.481 2
1 1230 . 1 1 A 101 101 GLU H H 101 7.848 7.896 -0.048 2
1 1231 . 1 1 A 101 101 GLU HA H 101 4.021 4.072 -0.051 2
1 1236 . 1 1 A 101 101 GLU C C 101 179.288 178.750 0.538 2
1 1237 . 1 1 A 101 101 GLU CA C 101 58.822 59.374 -0.552 2
1 1238 . 1 1 A 101 101 GLU CB C 101 29.846 29.601 0.245 2
1 1240 . 1 1 A 101 101 GLU N N 101 125.150 121.973 3.177 2
1 1241 . 1 1 A 102 102 PHE H H 102 8.923 8.079 0.844 2
1 1242 . 1 1 A 102 102 PHE HA H 102 4.155 4.149 0.006 2
1 1245 . 1 1 A 102 102 PHE C C 102 178.343 177.705 0.638 2
1 1246 . 1 1 A 102 102 PHE CA C 102 61.315 61.643 -0.328 2
1 1247 . 1 1 A 102 102 PHE CB C 102 40.083 39.444 0.639 2
1 1248 . 1 1 A 102 102 PHE N N 102 121.281 120.732 0.549 2
1 1249 . 1 1 A 103 103 ARG H H 103 8.210 8.341 -0.131 2
1 1250 . 1 1 A 103 103 ARG HA H 103 3.830 4.022 -0.192 2
1 1257 . 1 1 A 103 103 ARG C C 103 177.602 178.475 -0.873 2
1 1258 . 1 1 A 103 103 ARG CA C 103 59.235 59.516 -0.281 2
1 1261 . 1 1 A 103 103 ARG N N 103 119.223 118.689 0.534 2
1 1262 . 1 1 A 104 104 ALA H H 104 7.905 7.253 0.652 2
1 1263 . 1 1 A 104 104 ALA HA H 104 4.186 4.234 -0.048 2
1 1267 . 1 1 A 104 104 ALA C C 104 179.126 177.994 1.132 2
1 1268 . 1 1 A 104 104 ALA CA C 104 54.188 52.658 1.530 2
1 1269 . 1 1 A 104 104 ALA CB C 104 18.254 19.602 -1.348 2
1 1270 . 1 1 A 104 104 ALA N N 104 120.546 119.395 1.151 2
1 1271 . 1 1 A 105 105 GLY H H 105 7.676 7.844 -0.168 2
1 1272 . 1 1 A 105 105 GLY HA2 H 105 3.849 3.780 0.069 2
1 1273 . 1 1 A 105 105 GLY HA3 H 105 4.052 3.856 0.196 2
1 1274 . 1 1 A 105 105 GLY C C 105 174.515 174.216 0.299 2
1 1275 . 1 1 A 105 105 GLY CA C 105 45.317 45.327 -0.010 2
1 1276 . 1 1 A 105 105 GLY N N 105 104.677 106.993 -2.316 2
1 1277 . 1 1 A 106 106 CYS H H 106 7.599 7.814 -0.215 2
1 1278 . 1 1 A 106 106 CYS HA H 106 4.447 4.469 -0.022 2
1 1281 . 1 1 A 106 106 CYS C C 106 173.823 174.730 -0.907 2
1 1282 . 1 1 A 106 106 CYS CA C 106 59.123 59.235 -0.112 2
1 1283 . 1 1 A 106 106 CYS CB C 106 28.004 28.400 -0.396 2
1 1284 . 1 1 A 106 106 CYS N N 106 118.321 119.932 -1.611 2
stop_
save_