data_10282_sparta
save_entry_information
_Entry.Sf_category entry_information
_Entry.Sf_framecode entry_information
_Entry.ID 10282
_Entry.PDB_ID 2CUF
_Entry.NMR_STAR_version 3.0.9.100
save_
save_delta_chem_shifts_single
_Entity_delta_chem_shifts.Sf_category delta_chem_shifts
_Entity_delta_chem_shifts.Sf_framecode delta_chem_shifts_single
_Entity_delta_chem_shifts.Conformer_type "single"
_Entity_delta_chem_shifts.Conformer_count 20
_Entity_delta_chem_shifts.Best_conformer 1
_Entity_delta_chem_shifts.ID 1
loop_
_Delta_CS.Assigned_chem_shift_list_ID
_Delta_CS.Atom_chem_shift_ID
_Delta_CS.Assembly_atom_ID
_Delta_CS.Conformer_ID
_Delta_CS.Entity_assembly_ID
_Delta_CS.Entity_ID
_Delta_CS.PDB_asym_ID
_Delta_CS.Comp_index_ID
_Delta_CS.Seq_ID
_Delta_CS.Comp_ID
_Delta_CS.Atom_ID
_Delta_CS.Atom_type
_Delta_CS.Auth_seq_ID
_Delta_CS.Original_CS_value
_Delta_CS.Sparta_CS_value
_Delta_CS.Delta_CS_value
_Delta_CS.Entity_delta_chem_shifts_ID
1 1 . 1 1 1 A 11 11 ARG HA H 11 4.442 4.037 0.405 1
1 6 . 1 1 1 A 11 11 ARG C C 11 175.365 175.215 0.150 1
1 7 . 1 1 1 A 11 11 ARG CA C 11 55.738 56.979 -1.241 1
1 8 . 1 1 1 A 11 11 ARG CB C 11 31.419 28.165 3.254 1
1 11 . 1 1 1 A 12 12 PHE H H 12 8.430 7.914 0.516 1
1 12 . 1 1 1 A 12 12 PHE HA H 12 4.481 4.702 -0.221 1
1 20 . 1 1 1 A 12 12 PHE C C 12 174.869 173.265 1.604 1
1 21 . 1 1 1 A 12 12 PHE CA C 12 58.525 57.995 0.530 1
1 22 . 1 1 1 A 12 12 PHE CB C 12 39.955 41.863 -1.908 1
1 28 . 1 1 1 A 12 12 PHE N N 12 123.637 119.497 4.140 1
1 29 . 1 1 1 A 13 13 THR H H 13 7.543 6.773 0.770 1
1 30 . 1 1 1 A 13 13 THR HA H 13 4.216 4.573 -0.357 1
1 35 . 1 1 1 A 13 13 THR C C 13 172.757 172.502 0.255 1
1 36 . 1 1 1 A 13 13 THR CA C 13 60.703 60.675 0.028 1
1 37 . 1 1 1 A 13 13 THR CB C 13 70.578 71.996 -1.418 1
1 39 . 1 1 1 A 13 13 THR N N 13 122.237 115.320 6.917 1
1 40 . 1 1 1 A 14 14 TRP H H 14 8.427 8.792 -0.365 1
1 41 . 1 1 1 A 14 14 TRP HA H 14 4.195 5.123 -0.928 1
1 50 . 1 1 1 A 14 14 TRP C C 14 177.225 175.709 1.516 1
1 51 . 1 1 1 A 14 14 TRP CA C 14 57.137 55.333 1.804 1
1 52 . 1 1 1 A 14 14 TRP CB C 14 29.919 30.702 -0.783 1
1 58 . 1 1 1 A 14 14 TRP N N 14 125.363 126.057 -0.694 1
1 60 . 1 1 1 A 15 15 ARG H H 15 8.790 9.094 -0.304 1
1 61 . 1 1 1 A 15 15 ARG HA H 15 4.436 4.334 0.102 1
1 67 . 1 1 1 A 15 15 ARG C C 15 176.254 178.073 -1.819 1
1 68 . 1 1 1 A 15 15 ARG CA C 15 54.848 56.258 -1.410 1
1 69 . 1 1 1 A 15 15 ARG CB C 15 30.217 31.064 -0.847 1
1 72 . 1 1 1 A 15 15 ARG N N 15 124.453 124.530 -0.077 1
1 73 . 1 1 1 A 16 16 LYS H H 16 7.990 8.808 -0.818 1
1 74 . 1 1 1 A 16 16 LYS HA H 16 3.949 3.989 -0.040 1
1 81 . 1 1 1 A 16 16 LYS C C 16 179.133 178.574 0.559 1
1 82 . 1 1 1 A 16 16 LYS CA C 16 60.206 59.521 0.685 1
1 83 . 1 1 1 A 16 16 LYS CB C 16 32.102 32.087 0.015 1
1 87 . 1 1 1 A 16 16 LYS N N 16 120.654 122.927 -2.273 1
1 88 . 1 1 1 A 17 17 GLU H H 17 10.775 8.138 2.637 1
1 89 . 1 1 1 A 17 17 GLU HA H 17 4.126 4.026 0.100 1
1 94 . 1 1 1 A 17 17 GLU C C 17 179.581 179.156 0.425 1
1 95 . 1 1 1 A 17 17 GLU CA C 17 60.262 59.444 0.818 1
1 96 . 1 1 1 A 17 17 GLU CB C 17 28.944 29.656 -0.712 1
1 98 . 1 1 1 A 17 17 GLU N N 17 119.914 119.798 0.116 1
1 99 . 1 1 1 A 18 18 CYS H H 18 7.314 8.341 -1.027 1
1 100 . 1 1 1 A 18 18 CYS HA H 18 4.166 4.283 -0.117 1
1 103 . 1 1 1 A 18 18 CYS C C 18 176.250 177.406 -1.156 1
1 104 . 1 1 1 A 18 18 CYS CA C 18 61.093 63.037 -1.944 1
1 105 . 1 1 1 A 18 18 CYS CB C 18 27.636 27.026 0.610 1
1 106 . 1 1 1 A 18 18 CYS N N 18 115.339 118.969 -3.630 1
1 107 . 1 1 1 A 19 19 LEU H H 19 7.975 8.399 -0.424 1
1 108 . 1 1 1 A 19 19 LEU HA H 19 3.365 3.554 -0.189 1
1 118 . 1 1 1 A 19 19 LEU C C 19 178.119 179.177 -1.058 1
1 119 . 1 1 1 A 19 19 LEU CA C 19 58.084 57.572 0.512 1
1 120 . 1 1 1 A 19 19 LEU CB C 19 40.713 41.109 -0.396 1
1 124 . 1 1 1 A 19 19 LEU N N 19 120.346 122.924 -2.578 1
1 125 . 1 1 1 A 20 20 ALA H H 20 7.481 7.550 -0.069 1
1 126 . 1 1 1 A 20 20 ALA HA H 20 4.079 4.047 0.032 1
1 130 . 1 1 1 A 20 20 ALA C C 20 180.800 180.553 0.247 1
1 131 . 1 1 1 A 20 20 ALA CA C 20 55.172 55.034 0.138 1
1 132 . 1 1 1 A 20 20 ALA CB C 20 17.975 18.247 -0.272 1
1 133 . 1 1 1 A 20 20 ALA N N 20 119.101 122.489 -3.388 1
1 134 . 1 1 1 A 21 21 VAL H H 21 6.932 7.336 -0.404 1
1 135 . 1 1 1 A 21 21 VAL HA H 21 3.752 3.481 0.271 1
1 143 . 1 1 1 A 21 21 VAL C C 21 178.850 177.872 0.978 1
1 144 . 1 1 1 A 21 21 VAL CA C 21 66.018 67.435 -1.417 1
1 145 . 1 1 1 A 21 21 VAL CB C 21 32.168 31.570 0.598 1
1 148 . 1 1 1 A 21 21 VAL N N 21 118.965 118.063 0.902 1
1 149 . 1 1 1 A 22 22 MET H H 22 7.925 7.704 0.221 1
1 150 . 1 1 1 A 22 22 MET HA H 22 3.894 4.095 -0.201 1
1 158 . 1 1 1 A 22 22 MET C C 22 177.997 178.543 -0.546 1
1 159 . 1 1 1 A 22 22 MET CA C 22 60.060 58.853 1.207 1
1 160 . 1 1 1 A 22 22 MET CB C 22 30.494 31.889 -1.395 1
1 163 . 1 1 1 A 22 22 MET N N 22 118.668 116.841 1.827 1
1 164 . 1 1 1 A 23 23 GLU H H 23 8.452 7.591 0.861 1
1 165 . 1 1 1 A 23 23 GLU HA H 23 4.048 4.091 -0.043 1
1 170 . 1 1 1 A 23 23 GLU C C 23 178.809 179.115 -0.306 1
1 171 . 1 1 1 A 23 23 GLU CA C 23 59.676 59.161 0.515 1
1 172 . 1 1 1 A 23 23 GLU CB C 23 29.289 29.130 0.159 1
1 174 . 1 1 1 A 23 23 GLU N N 23 118.239 119.255 -1.016 1
1 175 . 1 1 1 A 24 24 SER H H 24 7.431 7.514 -0.083 1
1 176 . 1 1 1 A 24 24 SER HA H 24 4.279 4.264 0.015 1
1 179 . 1 1 1 A 24 24 SER C C 24 177.916 177.214 0.702 1
1 180 . 1 1 1 A 24 24 SER CA C 24 61.785 61.582 0.203 1
1 181 . 1 1 1 A 24 24 SER CB C 24 62.616 63.115 -0.499 1
1 182 . 1 1 1 A 24 24 SER N N 24 113.792 115.985 -2.193 1
1 183 . 1 1 1 A 25 25 TYR H H 25 7.845 8.457 -0.612 1
1 184 . 1 1 1 A 25 25 TYR HA H 25 4.354 4.371 -0.017 1
1 191 . 1 1 1 A 25 25 TYR C C 25 178.789 178.895 -0.106 1
1 192 . 1 1 1 A 25 25 TYR CA C 25 63.193 60.719 2.474 1
1 193 . 1 1 1 A 25 25 TYR CB C 25 38.706 38.082 0.624 1
1 198 . 1 1 1 A 25 25 TYR N N 25 120.184 119.510 0.674 1
1 199 . 1 1 1 A 26 26 PHE H H 26 9.279 8.350 0.929 1
1 200 . 1 1 1 A 26 26 PHE HA H 26 4.237 4.682 -0.445 1
1 208 . 1 1 1 A 26 26 PHE C C 26 175.885 177.861 -1.976 1
1 209 . 1 1 1 A 26 26 PHE CA C 26 62.008 61.377 0.631 1
1 210 . 1 1 1 A 26 26 PHE CB C 26 39.072 39.067 0.005 1
1 216 . 1 1 1 A 26 26 PHE N N 26 123.634 120.495 3.139 1
1 217 . 1 1 1 A 27 27 ASN H H 27 7.807 8.081 -0.274 1
1 218 . 1 1 1 A 27 27 ASN HA H 27 4.409 4.592 -0.183 1
1 223 . 1 1 1 A 27 27 ASN C C 27 176.108 177.335 -1.227 1
1 224 . 1 1 1 A 27 27 ASN CA C 27 55.307 56.323 -1.016 1
1 225 . 1 1 1 A 27 27 ASN CB C 27 38.810 38.088 0.722 1
1 226 . 1 1 1 A 27 27 ASN N N 27 112.896 117.579 -4.683 1
1 228 . 1 1 1 A 28 28 GLU H H 28 7.431 7.976 -0.545 1
1 229 . 1 1 1 A 28 28 GLU HA H 28 4.274 4.309 -0.035 1
1 234 . 1 1 1 A 28 28 GLU C C 28 176.880 176.413 0.467 1
1 235 . 1 1 1 A 28 28 GLU CA C 28 57.875 58.002 -0.127 1
1 236 . 1 1 1 A 28 28 GLU CB C 28 30.965 29.815 1.150 1
1 238 . 1 1 1 A 28 28 GLU N N 28 117.899 114.649 3.250 1
1 239 . 1 1 1 A 29 29 ASN H H 29 7.950 8.197 -0.247 1
1 240 . 1 1 1 A 29 29 ASN HA H 29 4.562 4.984 -0.422 1
1 245 . 1 1 1 A 29 29 ASN C C 29 174.036 174.933 -0.897 1
1 246 . 1 1 1 A 29 29 ASN CA C 29 53.654 52.904 0.750 1
1 247 . 1 1 1 A 29 29 ASN CB C 29 39.361 40.714 -1.353 1
1 248 . 1 1 1 A 29 29 ASN N N 29 116.656 117.442 -0.786 1
1 250 . 1 1 1 A 30 30 GLN H H 30 8.658 8.341 0.317 1
1 251 . 1 1 1 A 30 30 GLN HA H 30 3.848 3.236 0.612 1
1 258 . 1 1 1 A 30 30 GLN C C 30 174.503 175.442 -0.939 1
1 259 . 1 1 1 A 30 30 GLN CA C 30 57.336 57.938 -0.602 1
1 260 . 1 1 1 A 30 30 GLN CB C 30 27.978 28.954 -0.976 1
1 262 . 1 1 1 A 30 30 GLN N N 30 122.486 123.659 -1.173 1
1 264 . 1 1 1 A 31 31 TYR H H 31 8.181 7.974 0.207 1
1 265 . 1 1 1 A 31 31 TYR HA H 31 4.769 5.116 -0.347 1
1 272 . 1 1 1 A 31 31 TYR C C 31 172.816 173.112 -0.296 1
1 273 . 1 1 1 A 31 31 TYR CA C 31 55.409 54.138 1.271 1
1 274 . 1 1 1 A 31 31 TYR CB C 31 38.938 38.817 0.121 1
1 279 . 1 1 1 A 31 31 TYR N N 31 116.012 117.479 -1.467 1
1 280 . 1 1 1 A 32 32 PRO HA H 32 4.320 4.614 -0.294 1
1 287 . 1 1 1 A 32 32 PRO C C 32 177.530 176.888 0.642 1
1 288 . 1 1 1 A 32 32 PRO CA C 32 63.041 62.661 0.380 1
1 289 . 1 1 1 A 32 32 PRO CB C 32 31.052 31.847 -0.795 1
1 292 . 1 1 1 A 33 33 ASP H H 33 8.439 8.587 -0.148 1
1 293 . 1 1 1 A 33 33 ASP HA H 33 4.475 4.762 -0.287 1
1 296 . 1 1 1 A 33 33 ASP C C 33 175.397 177.067 -1.670 1
1 297 . 1 1 1 A 33 33 ASP CA C 33 52.562 53.810 -1.248 1
1 298 . 1 1 1 A 33 33 ASP CB C 33 40.363 41.863 -1.500 1
1 299 . 1 1 1 A 33 33 ASP N N 33 125.278 120.982 4.296 1
1 300 . 1 1 1 A 34 34 GLU H H 34 8.644 8.904 -0.260 1
1 301 . 1 1 1 A 34 34 GLU HA H 34 3.613 3.869 -0.256 1
1 306 . 1 1 1 A 34 34 GLU C C 34 178.261 178.436 -0.175 1
1 307 . 1 1 1 A 34 34 GLU CA C 34 61.565 59.173 2.392 1
1 308 . 1 1 1 A 34 34 GLU CB C 34 29.289 29.439 -0.150 1
1 310 . 1 1 1 A 34 34 GLU N N 34 118.756 118.361 0.395 1
1 311 . 1 1 1 A 35 35 ALA H H 35 8.121 8.103 0.018 1
1 312 . 1 1 1 A 35 35 ALA HA H 35 4.155 4.191 -0.036 1
1 316 . 1 1 1 A 35 35 ALA C C 35 181.307 179.387 1.920 1
1 317 . 1 1 1 A 35 35 ALA CA C 35 54.953 55.099 -0.146 1
1 318 . 1 1 1 A 35 35 ALA CB C 35 17.975 18.315 -0.340 1
1 319 . 1 1 1 A 35 35 ALA N N 35 121.196 122.009 -0.813 1
1 320 . 1 1 1 A 36 36 LYS H H 36 8.448 7.592 0.856 1
1 321 . 1 1 1 A 36 36 LYS HA H 36 4.157 3.990 0.167 1
1 330 . 1 1 1 A 36 36 LYS C C 36 178.769 178.428 0.341 1
1 331 . 1 1 1 A 36 36 LYS CA C 36 56.576 59.657 -3.081 1
1 332 . 1 1 1 A 36 36 LYS CB C 36 29.689 32.157 -2.468 1
1 336 . 1 1 1 A 36 36 LYS N N 36 121.690 118.364 3.326 1
1 337 . 1 1 1 A 37 37 ARG H H 37 8.977 8.043 0.934 1
1 338 . 1 1 1 A 37 37 ARG HA H 37 3.711 3.886 -0.175 1
1 345 . 1 1 1 A 37 37 ARG C C 37 178.444 178.862 -0.418 1
1 346 . 1 1 1 A 37 37 ARG CA C 37 61.131 59.417 1.714 1
1 347 . 1 1 1 A 37 37 ARG CB C 37 30.941 29.797 1.144 1
1 350 . 1 1 1 A 37 37 ARG N N 37 117.588 118.717 -1.129 1
1 351 . 1 1 1 A 38 38 GLU H H 38 7.750 7.909 -0.159 1
1 352 . 1 1 1 A 38 38 GLU HA H 38 4.083 4.170 -0.087 1
1 357 . 1 1 1 A 38 38 GLU C C 38 178.301 179.350 -1.049 1
1 358 . 1 1 1 A 38 38 GLU CA C 38 59.321 57.547 1.774 1
1 359 . 1 1 1 A 38 38 GLU CB C 38 29.013 29.575 -0.562 1
1 361 . 1 1 1 A 38 38 GLU N N 38 119.080 119.890 -0.810 1
1 362 . 1 1 1 A 39 39 GLU H H 39 7.540 7.925 -0.385 1
1 363 . 1 1 1 A 39 39 GLU HA H 39 4.048 4.087 -0.039 1
1 368 . 1 1 1 A 39 39 GLU C C 39 179.784 178.697 1.087 1
1 369 . 1 1 1 A 39 39 GLU CA C 39 59.646 59.101 0.545 1
1 370 . 1 1 1 A 39 39 GLU CB C 39 29.409 29.696 -0.287 1
1 372 . 1 1 1 A 39 39 GLU N N 39 121.188 119.469 1.719 1
1 373 . 1 1 1 A 40 40 ILE H H 40 8.634 7.874 0.760 1
1 374 . 1 1 1 A 40 40 ILE HA H 40 3.133 3.403 -0.270 1
1 384 . 1 1 1 A 40 40 ILE C C 40 178.119 177.557 0.562 1
1 385 . 1 1 1 A 40 40 ILE CA C 40 65.462 63.175 2.287 1
1 386 . 1 1 1 A 40 40 ILE CB C 40 37.951 36.598 1.353 1
1 390 . 1 1 1 A 40 40 ILE N N 40 121.126 120.134 0.992 1
1 391 . 1 1 1 A 41 41 ALA H H 41 8.462 8.399 0.063 1
1 392 . 1 1 1 A 41 41 ALA HA H 41 3.713 4.045 -0.332 1
1 396 . 1 1 1 A 41 41 ALA C C 41 178.850 180.621 -1.771 1
1 397 . 1 1 1 A 41 41 ALA CA C 41 56.014 55.630 0.384 1
1 398 . 1 1 1 A 41 41 ALA CB C 41 16.779 18.070 -1.291 1
1 399 . 1 1 1 A 41 41 ALA N N 41 123.029 123.559 -0.530 1
1 400 . 1 1 1 A 42 42 ASN H H 42 8.264 8.595 -0.331 1
1 401 . 1 1 1 A 42 42 ASN HA H 42 4.521 4.419 0.102 1
1 406 . 1 1 1 A 42 42 ASN C C 42 178.220 177.544 0.676 1
1 407 . 1 1 1 A 42 42 ASN CA C 42 56.193 55.710 0.483 1
1 408 . 1 1 1 A 42 42 ASN CB C 42 37.775 37.843 -0.068 1
1 409 . 1 1 1 A 42 42 ASN N N 42 115.462 118.043 -2.581 1
1 411 . 1 1 1 A 43 43 ALA H H 43 8.403 7.715 0.688 1
1 412 . 1 1 1 A 43 43 ALA HA H 43 4.273 4.050 0.223 1
1 416 . 1 1 1 A 43 43 ALA C C 43 180.962 180.107 0.855 1
1 417 . 1 1 1 A 43 43 ALA CA C 43 55.200 55.156 0.044 1
1 418 . 1 1 1 A 43 43 ALA CB C 43 18.478 17.927 0.551 1
1 419 . 1 1 1 A 43 43 ALA N N 43 125.139 122.650 2.489 1
1 420 . 1 1 1 A 44 44 CYS H H 44 8.457 7.866 0.591 1
1 421 . 1 1 1 A 44 44 CYS HA H 44 4.156 4.138 0.018 1
1 424 . 1 1 1 A 44 44 CYS C C 44 176.534 177.364 -0.830 1
1 425 . 1 1 1 A 44 44 CYS CA C 44 64.768 63.677 1.091 1
1 426 . 1 1 1 A 44 44 CYS CB C 44 27.644 27.067 0.577 1
1 427 . 1 1 1 A 44 44 CYS N N 44 116.609 116.324 0.285 1
1 428 . 1 1 1 A 45 45 ASN H H 45 8.346 7.874 0.472 1
1 429 . 1 1 1 A 45 45 ASN HA H 45 4.613 4.517 0.096 1
1 434 . 1 1 1 A 45 45 ASN C C 45 177.631 177.652 -0.021 1
1 435 . 1 1 1 A 45 45 ASN CA C 45 55.723 56.118 -0.395 1
1 436 . 1 1 1 A 45 45 ASN CB C 45 37.526 37.946 -0.420 1
1 437 . 1 1 1 A 45 45 ASN N N 45 117.491 118.515 -1.024 1
1 439 . 1 1 1 A 46 46 ALA H H 46 8.014 7.696 0.318 1
1 440 . 1 1 1 A 46 46 ALA HA H 46 4.200 4.095 0.105 1
1 444 . 1 1 1 A 46 46 ALA C C 46 180.292 179.694 0.598 1
1 445 . 1 1 1 A 46 46 ALA CA C 46 54.805 55.107 -0.302 1
1 446 . 1 1 1 A 46 46 ALA CB C 46 18.283 18.380 -0.097 1
1 447 . 1 1 1 A 46 46 ALA N N 46 120.198 123.438 -3.240 1
1 448 . 1 1 1 A 47 47 VAL H H 47 7.240 8.075 -0.835 1
1 449 . 1 1 1 A 47 47 VAL HA H 47 4.306 3.815 0.491 1
1 457 . 1 1 1 A 47 47 VAL C C 47 177.083 177.140 -0.057 1
1 458 . 1 1 1 A 47 47 VAL CA C 47 63.484 65.160 -1.676 1
1 459 . 1 1 1 A 47 47 VAL CB C 47 31.935 31.485 0.450 1
1 462 . 1 1 1 A 47 47 VAL N N 47 110.165 116.386 -6.221 1
1 463 . 1 1 1 A 48 48 ILE H H 48 7.146 7.097 0.049 1
1 464 . 1 1 1 A 48 48 ILE HA H 48 4.473 4.434 0.039 1
1 474 . 1 1 1 A 48 48 ILE C C 48 175.966 176.047 -0.081 1
1 475 . 1 1 1 A 48 48 ILE CA C 48 62.055 62.128 -0.073 1
1 476 . 1 1 1 A 48 48 ILE CB C 48 39.444 38.786 0.658 1
1 480 . 1 1 1 A 48 48 ILE N N 48 112.085 116.309 -4.224 1
1 481 . 1 1 1 A 49 49 GLN H H 49 7.671 8.021 -0.350 1
1 482 . 1 1 1 A 49 49 GLN HA H 49 4.254 4.132 0.122 1
1 489 . 1 1 1 A 49 49 GLN C C 49 175.417 175.320 0.097 1
1 490 . 1 1 1 A 49 49 GLN CA C 49 56.370 56.261 0.109 1
1 491 . 1 1 1 A 49 49 GLN CB C 49 29.289 28.925 0.364 1
1 493 . 1 1 1 A 49 49 GLN N N 49 123.076 123.488 -0.412 1
1 495 . 1 1 1 A 50 50 LYS H H 50 8.932 8.621 0.311 1
1 496 . 1 1 1 A 50 50 LYS HA H 50 4.760 4.751 0.009 1
1 502 . 1 1 1 A 50 50 LYS C C 50 174.497 174.077 0.420 1
1 503 . 1 1 1 A 50 50 LYS CA C 50 53.341 52.957 0.384 1
1 504 . 1 1 1 A 50 50 LYS CB C 50 32.860 33.407 -0.547 1
1 506 . 1 1 1 A 50 50 LYS N N 50 127.505 126.881 0.624 1
1 507 . 1 1 1 A 51 51 PRO HA H 51 4.328 4.297 0.031 1
1 514 . 1 1 1 A 51 51 PRO CA C 51 64.015 63.722 0.293 1
1 515 . 1 1 1 A 51 51 PRO CB C 51 31.590 31.283 0.307 1
1 518 . 1 1 1 A 52 52 GLY H H 52 8.752 8.741 0.011 1
1 519 . 1 1 1 A 52 52 GLY HA2 H 52 4.113 3.935 0.178 1
1 520 . 1 1 1 A 52 52 GLY HA3 H 52 3.728 3.935 -0.207 1
1 521 . 1 1 1 A 52 52 GLY C C 52 173.732 173.445 0.287 1
1 522 . 1 1 1 A 52 52 GLY CA C 52 45.646 45.636 0.010 1
1 523 . 1 1 1 A 53 53 LYS H H 53 7.734 7.406 0.328 1
1 524 . 1 1 1 A 53 53 LYS HA H 53 4.621 4.737 -0.116 1
1 531 . 1 1 1 A 53 53 LYS C C 53 175.681 174.634 1.047 1
1 532 . 1 1 1 A 53 53 LYS CA C 53 54.451 54.590 -0.139 1
1 533 . 1 1 1 A 53 53 LYS CB C 53 34.466 35.510 -1.044 1
1 537 . 1 1 1 A 53 53 LYS N N 53 120.205 121.531 -1.326 1
1 538 . 1 1 1 A 54 54 LYS H H 54 8.536 8.740 -0.204 1
1 539 . 1 1 1 A 54 54 LYS HA H 54 4.412 4.808 -0.396 1
1 546 . 1 1 1 A 54 54 LYS C C 54 177.022 175.946 1.076 1
1 547 . 1 1 1 A 54 54 LYS CA C 54 55.691 54.803 0.888 1
1 548 . 1 1 1 A 54 54 LYS CB C 54 33.453 35.277 -1.824 1
1 552 . 1 1 1 A 54 54 LYS N N 54 124.424 124.665 -0.241 1
1 553 . 1 1 1 A 55 55 LEU H H 55 8.656 8.603 0.053 1
1 554 . 1 1 1 A 55 55 LEU HA H 55 4.407 4.364 0.043 1
1 564 . 1 1 1 A 55 55 LEU C C 55 177.448 176.228 1.220 1
1 565 . 1 1 1 A 55 55 LEU CA C 55 54.670 54.952 -0.282 1
1 566 . 1 1 1 A 55 55 LEU CB C 55 43.243 42.351 0.892 1
1 570 . 1 1 1 A 55 55 LEU N N 55 126.145 124.214 1.931 1
1 571 . 1 1 1 A 56 56 SER H H 56 9.313 8.748 0.565 1
1 572 . 1 1 1 A 56 56 SER HA H 56 4.496 4.749 -0.253 1
1 575 . 1 1 1 A 56 56 SER C C 56 175.226 174.527 0.699 1
1 576 . 1 1 1 A 56 56 SER CA C 56 57.507 57.018 0.489 1
1 577 . 1 1 1 A 56 56 SER CB C 56 64.802 66.186 -1.384 1
1 578 . 1 1 1 A 56 56 SER N N 56 121.790 116.881 4.909 1
1 579 . 1 1 1 A 57 57 ASP H H 57 8.929 9.113 -0.184 1
1 580 . 1 1 1 A 57 57 ASP HA H 57 4.314 4.358 -0.044 1
1 583 . 1 1 1 A 57 57 ASP C C 57 177.855 178.292 -0.437 1
1 584 . 1 1 1 A 57 57 ASP CA C 57 57.403 56.725 0.678 1
1 585 . 1 1 1 A 57 57 ASP CB C 57 40.353 40.450 -0.097 1
1 586 . 1 1 1 A 58 58 LEU H H 58 7.824 7.824 0.000 1
1 587 . 1 1 1 A 58 58 LEU HA H 58 4.194 4.177 0.017 1
1 597 . 1 1 1 A 58 58 LEU C C 58 177.509 178.319 -0.810 1
1 598 . 1 1 1 A 58 58 LEU CA C 58 56.754 57.592 -0.838 1
1 599 . 1 1 1 A 58 58 LEU CB C 58 42.259 41.597 0.662 1
1 603 . 1 1 1 A 58 58 LEU N N 58 117.552 119.568 -2.016 1
1 604 . 1 1 1 A 59 59 GLU H H 59 7.325 7.621 -0.296 1
1 605 . 1 1 1 A 59 59 GLU HA H 59 4.286 4.308 -0.022 1
1 610 . 1 1 1 A 59 59 GLU C C 59 175.661 176.429 -0.768 1
1 611 . 1 1 1 A 59 59 GLU CA C 59 56.370 55.783 0.587 1
1 612 . 1 1 1 A 59 59 GLU CB C 59 32.314 31.073 1.241 1
1 614 . 1 1 1 A 59 59 GLU N N 59 115.631 116.228 -0.597 1
1 615 . 1 1 1 A 60 60 ARG H H 60 7.408 7.971 -0.563 1
1 616 . 1 1 1 A 60 60 ARG HA H 60 3.948 4.534 -0.586 1
1 623 . 1 1 1 A 60 60 ARG C C 60 175.194 175.484 -0.290 1
1 624 . 1 1 1 A 60 60 ARG CA C 60 57.167 56.640 0.527 1
1 625 . 1 1 1 A 60 60 ARG CB C 60 31.083 30.866 0.217 1
1 628 . 1 1 1 A 60 60 ARG N N 60 118.018 122.711 -4.693 1
1 629 . 1 1 1 A 61 61 VAL H H 61 10.175 9.261 0.914 1
1 630 . 1 1 1 A 61 61 VAL HA H 61 3.462 4.488 -1.026 1
1 638 . 1 1 1 A 61 61 VAL C C 61 175.681 176.208 -0.527 1
1 639 . 1 1 1 A 61 61 VAL CA C 61 65.077 61.501 3.576 1
1 640 . 1 1 1 A 61 61 VAL CB C 61 31.702 32.696 -0.994 1
1 643 . 1 1 1 A 61 61 VAL N N 61 128.658 126.658 2.000 1
1 644 . 1 1 1 A 62 62 THR H H 62 6.270 8.725 -2.455 1
1 645 . 1 1 1 A 62 62 THR HA H 62 4.780 4.783 -0.003 1
1 650 . 1 1 1 A 62 62 THR C C 62 175.064 176.303 -1.239 1
1 651 . 1 1 1 A 62 62 THR CA C 62 58.600 60.210 -1.610 1
1 652 . 1 1 1 A 62 62 THR CB C 62 72.355 71.643 0.712 1
1 654 . 1 1 1 A 62 62 THR N N 62 114.178 120.134 -5.956 1
1 655 . 1 1 1 A 63 63 SER HA H 63 3.869 4.137 -0.268 1
1 658 . 1 1 1 A 63 63 SER C C 63 176.656 176.862 -0.206 1
1 659 . 1 1 1 A 63 63 SER CA C 63 61.433 61.664 -0.231 1
1 660 . 1 1 1 A 63 63 SER CB C 63 62.197 62.373 -0.176 1
1 661 . 1 1 1 A 64 64 LEU H H 64 8.062 8.144 -0.082 1
1 662 . 1 1 1 A 64 64 LEU HA H 64 4.367 4.187 0.180 1
1 672 . 1 1 1 A 64 64 LEU C C 64 178.789 179.186 -0.397 1
1 673 . 1 1 1 A 64 64 LEU CA C 64 57.964 57.643 0.321 1
1 674 . 1 1 1 A 64 64 LEU CB C 64 42.052 41.667 0.385 1
1 678 . 1 1 1 A 64 64 LEU N N 64 123.294 126.545 -3.251 1
1 679 . 1 1 1 A 65 65 LYS H H 65 7.524 7.777 -0.253 1
1 680 . 1 1 1 A 65 65 LYS HA H 65 4.292 4.053 0.239 1
1 689 . 1 1 1 A 65 65 LYS C C 65 180.779 179.667 1.112 1
1 690 . 1 1 1 A 65 65 LYS CA C 65 60.266 59.717 0.549 1
1 691 . 1 1 1 A 65 65 LYS CB C 65 32.808 32.477 0.331 1
1 695 . 1 1 1 A 65 65 LYS N N 65 119.262 119.506 -0.244 1
1 696 . 1 1 1 A 66 66 VAL H H 66 8.290 7.813 0.477 1
1 697 . 1 1 1 A 66 66 VAL HA H 66 4.075 3.868 0.207 1
1 705 . 1 1 1 A 66 66 VAL C C 66 177.509 177.982 -0.473 1
1 706 . 1 1 1 A 66 66 VAL CA C 66 66.963 66.528 0.435 1
1 707 . 1 1 1 A 66 66 VAL CB C 66 32.419 31.492 0.927 1
1 710 . 1 1 1 A 66 66 VAL N N 66 119.900 120.474 -0.574 1
1 711 . 1 1 1 A 67 67 TYR H H 67 8.893 8.072 0.821 1
1 712 . 1 1 1 A 67 67 TYR HA H 67 3.857 4.153 -0.296 1
1 719 . 1 1 1 A 67 67 TYR C C 67 177.956 178.147 -0.191 1
1 720 . 1 1 1 A 67 67 TYR CA C 67 62.897 61.656 1.241 1
1 721 . 1 1 1 A 67 67 TYR CB C 67 38.326 38.593 -0.267 1
1 726 . 1 1 1 A 67 67 TYR N N 67 120.861 121.127 -0.266 1
1 727 . 1 1 1 A 68 68 ASN H H 68 8.561 8.087 0.474 1
1 728 . 1 1 1 A 68 68 ASN HA H 68 4.545 4.457 0.088 1
1 733 . 1 1 1 A 68 68 ASN C C 68 177.570 178.321 -0.751 1
1 734 . 1 1 1 A 68 68 ASN CA C 68 56.222 56.580 -0.358 1
1 735 . 1 1 1 A 68 68 ASN CB C 68 38.465 38.370 0.095 1
1 736 . 1 1 1 A 68 68 ASN N N 68 117.386 117.088 0.298 1
1 738 . 1 1 1 A 69 69 TRP H H 69 8.655 8.170 0.485 1
1 739 . 1 1 1 A 69 69 TRP HA H 69 4.151 4.344 -0.193 1
1 748 . 1 1 1 A 69 69 TRP C C 69 179.764 178.295 1.469 1
1 749 . 1 1 1 A 69 69 TRP CA C 69 63.194 61.450 1.744 1
1 750 . 1 1 1 A 69 69 TRP CB C 69 29.720 29.435 0.285 1
1 756 . 1 1 1 A 69 69 TRP N N 69 123.454 122.700 0.754 1
1 758 . 1 1 1 A 70 70 PHE H H 70 9.166 8.508 0.658 1
1 759 . 1 1 1 A 70 70 PHE HA H 70 3.745 4.483 -0.738 1
1 767 . 1 1 1 A 70 70 PHE C C 70 177.469 178.429 -0.960 1
1 768 . 1 1 1 A 70 70 PHE CA C 70 62.862 61.738 1.124 1
1 769 . 1 1 1 A 70 70 PHE CB C 70 39.115 38.176 0.939 1
1 775 . 1 1 1 A 70 70 PHE N N 70 120.259 118.333 1.926 1
1 776 . 1 1 1 A 71 71 ALA H H 71 8.169 8.388 -0.219 1
1 777 . 1 1 1 A 71 71 ALA HA H 71 3.868 3.915 -0.047 1
1 781 . 1 1 1 A 71 71 ALA C C 71 180.698 179.752 0.946 1
1 782 . 1 1 1 A 71 71 ALA CA C 71 55.307 55.129 0.178 1
1 783 . 1 1 1 A 71 71 ALA CB C 71 17.697 17.910 -0.213 1
1 784 . 1 1 1 A 71 71 ALA N N 71 120.051 122.324 -2.273 1
1 785 . 1 1 1 A 72 72 ASN H H 72 7.789 7.779 0.010 1
1 786 . 1 1 1 A 72 72 ASN HA H 72 4.280 4.320 -0.040 1
1 791 . 1 1 1 A 72 72 ASN C C 72 177.022 177.618 -0.596 1
1 792 . 1 1 1 A 72 72 ASN CA C 72 56.222 56.117 0.105 1
1 793 . 1 1 1 A 72 72 ASN CB C 72 38.363 38.741 -0.378 1
1 794 . 1 1 1 A 72 72 ASN N N 72 116.515 116.459 0.056 1
1 796 . 1 1 1 A 73 73 ARG H H 73 7.999 7.489 0.510 1
1 797 . 1 1 1 A 73 73 ARG HA H 73 3.416 3.653 -0.237 1
1 805 . 1 1 1 A 73 73 ARG C C 73 178.708 178.794 -0.086 1
1 806 . 1 1 1 A 73 73 ARG CA C 73 57.403 59.097 -1.694 1
1 807 . 1 1 1 A 73 73 ARG CB C 73 28.264 29.312 -1.048 1
1 810 . 1 1 1 A 73 73 ARG N N 73 123.203 119.612 3.591 1
1 812 . 1 1 1 A 74 74 ARG H H 74 8.033 8.061 -0.028 1
1 813 . 1 1 1 A 74 74 ARG HA H 74 4.017 4.135 -0.118 1
1 820 . 1 1 1 A 74 74 ARG C C 74 178.850 179.067 -0.217 1
1 821 . 1 1 1 A 74 74 ARG CA C 74 60.414 59.559 0.855 1
1 822 . 1 1 1 A 74 74 ARG CB C 74 31.221 29.984 1.237 1
1 825 . 1 1 1 A 74 74 ARG N N 74 116.187 118.958 -2.771 1
1 826 . 1 1 1 A 75 75 LYS H H 75 7.359 8.147 -0.788 1
1 827 . 1 1 1 A 75 75 LYS HA H 75 4.054 4.041 0.013 1
1 834 . 1 1 1 A 75 75 LYS C C 75 178.301 178.822 -0.521 1
1 835 . 1 1 1 A 75 75 LYS CA C 75 58.908 59.231 -0.323 1
1 836 . 1 1 1 A 75 75 LYS CB C 75 32.463 31.932 0.531 1
1 840 . 1 1 1 A 75 75 LYS N N 75 118.329 118.687 -0.358 1
1 841 . 1 1 1 A 76 76 GLU H H 76 7.769 7.609 0.160 1
1 842 . 1 1 1 A 76 76 GLU HA H 76 4.051 4.106 -0.055 1
1 847 . 1 1 1 A 76 76 GLU C C 76 178.261 178.664 -0.403 1
1 848 . 1 1 1 A 76 76 GLU CA C 76 58.200 58.556 -0.356 1
1 849 . 1 1 1 A 76 76 GLU CB C 76 29.841 29.462 0.379 1
1 851 . 1 1 1 A 76 76 GLU N N 76 119.947 118.192 1.755 1
1 852 . 1 1 1 A 77 77 ILE H H 77 7.826 7.879 -0.053 1
1 853 . 1 1 1 A 77 77 ILE HA H 77 3.856 3.786 0.070 1
1 863 . 1 1 1 A 77 77 ILE C C 77 177.794 177.711 0.083 1
1 864 . 1 1 1 A 77 77 ILE CA C 77 63.454 64.206 -0.752 1
1 865 . 1 1 1 A 77 77 ILE CB C 77 38.016 37.546 0.470 1
1 869 . 1 1 1 A 77 77 ILE N N 77 119.278 120.154 -0.876 1
1 870 . 1 1 1 A 78 78 LYS H H 78 7.802 8.297 -0.495 1
1 871 . 1 1 1 A 78 78 LYS HA H 78 4.196 4.037 0.159 1
1 878 . 1 1 1 A 78 78 LYS C C 78 177.591 178.983 -1.392 1
1 879 . 1 1 1 A 78 78 LYS CA C 78 57.728 59.078 -1.350 1
1 880 . 1 1 1 A 78 78 LYS CB C 78 32.601 32.039 0.562 1
1 884 . 1 1 1 A 78 78 LYS N N 78 122.041 122.336 -0.295 1
1 885 . 1 1 1 A 79 79 ARG H H 79 8.053 8.270 -0.217 1
1 886 . 1 1 1 A 79 79 ARG HA H 79 4.196 4.016 0.180 1
1 891 . 1 1 1 A 79 79 ARG C C 79 177.448 178.468 -1.020 1
1 892 . 1 1 1 A 79 79 ARG CA C 79 57.639 59.261 -1.622 1
1 893 . 1 1 1 A 79 79 ARG CB C 79 30.531 29.866 0.665 1
1 896 . 1 1 1 A 79 79 ARG N N 79 120.496 119.629 0.867 1
1 897 . 1 1 1 A 80 80 ARG H H 80 8.083 7.477 0.606 1
1 898 . 1 1 1 A 80 80 ARG HA H 80 4.193 4.108 0.085 1
1 904 . 1 1 1 A 80 80 ARG C C 80 176.786 178.267 -1.481 1
1 905 . 1 1 1 A 80 80 ARG CA C 80 57.196 58.714 -1.518 1
1 906 . 1 1 1 A 80 80 ARG CB C 80 30.531 29.608 0.923 1
1 909 . 1 1 1 A 80 80 ARG N N 80 120.092 119.457 0.635 1
1 910 . 1 1 1 A 81 81 ALA H H 81 8.062 7.470 0.592 1
1 911 . 1 1 1 A 81 81 ALA HA H 81 4.256 4.167 0.089 1
1 915 . 1 1 1 A 81 81 ALA C C 81 178.013 178.755 -0.742 1
1 916 . 1 1 1 A 81 81 ALA CA C 81 53.141 53.701 -0.560 1
1 917 . 1 1 1 A 81 81 ALA CB C 81 19.003 18.371 0.632 1
1 918 . 1 1 1 A 81 81 ALA N N 81 123.434 121.987 1.447 1
1 919 . 1 1 1 A 82 82 ASN H H 82 8.219 7.579 0.640 1
1 920 . 1 1 1 A 82 82 ASN HA H 82 4.661 4.792 -0.131 1
1 925 . 1 1 1 A 82 82 ASN C C 82 175.620 175.031 0.589 1
1 926 . 1 1 1 A 82 82 ASN CA C 82 53.686 54.988 -1.302 1
1 927 . 1 1 1 A 82 82 ASN CB C 82 38.672 39.717 -1.045 1
1 928 . 1 1 1 A 82 82 ASN N N 82 117.551 116.529 1.022 1
1 930 . 1 1 1 A 83 83 ILE H H 83 7.949 8.189 -0.240 1
1 931 . 1 1 1 A 83 83 ILE HA H 83 4.077 3.671 0.406 1
1 941 . 1 1 1 A 83 83 ILE C C 83 176.291 175.756 0.535 1
1 942 . 1 1 1 A 83 83 ILE CA C 83 61.695 62.533 -0.838 1
1 943 . 1 1 1 A 83 83 ILE CB C 83 38.672 36.043 2.629 1
1 947 . 1 1 1 A 83 83 ILE N N 83 120.666 118.173 2.493 1
1 948 . 1 1 1 A 84 84 ALA H H 84 8.184 7.988 0.196 1
1 949 . 1 1 1 A 84 84 ALA HA H 84 4.262 4.362 -0.100 1
1 953 . 1 1 1 A 84 84 ALA C C 84 177.794 176.050 1.744 1
1 954 . 1 1 1 A 84 84 ALA CA C 84 53.005 51.855 1.150 1
1 955 . 1 1 1 A 84 84 ALA CB C 84 18.941 17.489 1.452 1
1 956 . 1 1 1 A 84 84 ALA N N 84 126.306 123.597 2.709 1
1 957 . 1 1 1 A 85 85 ALA H H 85 8.019 7.983 0.036 1
1 958 . 1 1 1 A 85 85 ALA HA H 85 4.263 4.696 -0.433 1
1 962 . 1 1 1 A 85 85 ALA C C 85 178.143 176.365 1.778 1
1 963 . 1 1 1 A 85 85 ALA CA C 85 52.857 51.146 1.711 1
1 964 . 1 1 1 A 85 85 ALA CB C 85 19.170 21.005 -1.835 1
1 965 . 1 1 1 A 85 85 ALA N N 85 122.320 120.981 1.339 1
1 966 . 1 1 1 A 86 86 ILE H H 86 7.959 8.376 -0.417 1
1 967 . 1 1 1 A 86 86 ILE HA H 86 4.077 4.182 -0.105 1
1 977 . 1 1 1 A 86 86 ILE C C 86 176.697 176.497 0.200 1
1 978 . 1 1 1 A 86 86 ILE CA C 86 61.654 62.637 -0.983 1
1 979 . 1 1 1 A 86 86 ILE CB C 86 38.603 38.798 -0.195 1
1 983 . 1 1 1 A 86 86 ILE N N 86 119.762 124.220 -4.458 1
1 984 . 1 1 1 A 87 87 LEU H H 87 8.219 7.430 0.789 1
1 985 . 1 1 1 A 87 87 LEU HA H 87 4.340 4.274 0.066 1
1 995 . 1 1 1 A 87 87 LEU C C 87 177.616 176.623 0.993 1
1 996 . 1 1 1 A 87 87 LEU CA C 87 55.425 55.241 0.184 1
1 997 . 1 1 1 A 87 87 LEU CB C 87 42.328 42.279 0.049 1
1 1001 . 1 1 1 A 87 87 LEU N N 87 125.404 123.582 1.822 1
1 1002 . 1 1 1 A 88 88 GLU H H 88 8.321 8.503 -0.182 1
1 1003 . 1 1 1 A 88 88 GLU HA H 88 4.287 4.328 -0.041 1
1 1008 . 1 1 1 A 88 88 GLU C C 88 176.636 176.398 0.238 1
1 1009 . 1 1 1 A 88 88 GLU CA C 88 56.872 56.535 0.337 1
1 1010 . 1 1 1 A 88 88 GLU CB C 88 30.186 30.003 0.183 1
1 1012 . 1 1 1 A 88 88 GLU N N 88 121.673 120.753 0.920 1
1 1013 . 1 1 1 A 89 89 SER H H 89 8.254 8.847 -0.593 1
1 1014 . 1 1 1 A 89 89 SER HA H 89 4.483 4.870 -0.387 1
1 1017 . 1 1 1 A 89 89 SER C C 89 174.693 172.862 1.831 1
1 1018 . 1 1 1 A 89 89 SER CA C 89 58.395 57.664 0.731 1
1 1019 . 1 1 1 A 89 89 SER CB C 89 64.017 66.361 -2.344 1
1 1020 . 1 1 1 A 89 89 SER N N 89 116.276 117.425 -1.149 1
1 1021 . 1 1 1 A 90 90 SER H H 90 8.346 8.782 -0.436 1
1 1022 . 1 1 1 A 90 90 SER HA H 90 4.478 5.010 -0.532 1
1 1024 . 1 1 1 A 90 90 SER C C 90 174.564 173.750 0.814 1
1 1025 . 1 1 1 A 90 90 SER CA C 90 58.525 57.859 0.666 1
1 1026 . 1 1 1 A 90 90 SER CB C 90 64.129 63.250 0.879 1
1 1027 . 1 1 1 A 90 90 SER N N 90 117.689 122.195 -4.506 1
1 1028 . 1 1 1 A 91 91 GLY H H 91 8.213 8.672 -0.459 1
1 1029 . 1 1 1 A 91 91 GLY HA2 H 91 4.112 4.352 -0.240 1
1 1030 . 1 1 1 A 91 91 GLY HA3 H 91 4.112 4.354 -0.242 1
1 1031 . 1 1 1 A 91 91 GLY C C 91 171.803 174.062 -2.259 1
1 1032 . 1 1 1 A 91 91 GLY CA C 91 44.743 44.114 0.629 1
1 1033 . 1 1 1 A 91 91 GLY N N 91 110.570 113.659 -3.089 1
1 1034 . 1 1 1 A 92 92 PRO HA H 92 4.530 4.460 0.070 1
1 1035 . 1 1 1 A 93 93 SER HA H 93 4.498 4.368 0.130 1
1 1037 . 1 1 1 A 93 93 SER C C 93 173.981 174.756 -0.775 1
1 1038 . 1 1 1 A 93 93 SER CA C 93 57.378 58.831 -1.453 1
1 1039 . 1 1 1 A 93 93 SER CB C 93 58.505 63.542 -5.037 1
1 1040 . 1 1 1 A 94 94 SER H H 94 8.032 8.512 -0.480 1
1 1041 . 1 1 1 A 94 94 SER HA H 94 4.498 5.071 -0.573 1
1 1043 . 1 1 1 A 94 94 SER C C 94 173.955 174.840 -0.885 1
1 1044 . 1 1 1 A 94 94 SER CA C 94 58.436 56.001 2.435 1
1 1045 . 1 1 1 A 94 94 SER CB C 94 64.017 66.021 -2.004 1
1 1046 . 1 1 1 A 94 94 SER N N 94 116.327 115.706 0.621 1
1 1 . 2 1 1 A 11 11 ARG HA H 11 4.442 4.078 0.364 1
1 6 . 2 1 1 A 11 11 ARG C C 11 175.365 176.468 -1.103 1
1 7 . 2 1 1 A 11 11 ARG CA C 11 55.738 59.166 -3.428 1
1 8 . 2 1 1 A 11 11 ARG CB C 11 31.419 30.188 1.231 1
1 11 . 2 1 1 A 12 12 PHE H H 12 8.430 7.990 0.440 1
1 12 . 2 1 1 A 12 12 PHE HA H 12 4.481 4.756 -0.275 1
1 20 . 2 1 1 A 12 12 PHE C C 12 174.869 174.144 0.725 1
1 21 . 2 1 1 A 12 12 PHE CA C 12 58.525 58.318 0.207 1
1 22 . 2 1 1 A 12 12 PHE CB C 12 39.955 40.401 -0.446 1
1 28 . 2 1 1 A 12 12 PHE N N 12 123.637 119.302 4.335 1
1 29 . 2 1 1 A 13 13 THR H H 13 7.543 7.818 -0.275 1
1 30 . 2 1 1 A 13 13 THR HA H 13 4.216 4.951 -0.735 1
1 35 . 2 1 1 A 13 13 THR C C 13 172.757 173.233 -0.476 1
1 36 . 2 1 1 A 13 13 THR CA C 13 60.703 60.786 -0.083 1
1 37 . 2 1 1 A 13 13 THR CB C 13 70.578 71.218 -0.640 1
1 39 . 2 1 1 A 13 13 THR N N 13 122.237 120.751 1.486 1
1 40 . 2 1 1 A 14 14 TRP H H 14 8.427 8.897 -0.470 1
1 41 . 2 1 1 A 14 14 TRP HA H 14 4.195 5.185 -0.990 1
1 50 . 2 1 1 A 14 14 TRP C C 14 177.225 175.819 1.406 1
1 51 . 2 1 1 A 14 14 TRP CA C 14 57.137 55.842 1.295 1
1 52 . 2 1 1 A 14 14 TRP CB C 14 29.919 29.614 0.305 1
1 58 . 2 1 1 A 14 14 TRP N N 14 125.363 126.820 -1.457 1
1 60 . 2 1 1 A 15 15 ARG H H 15 8.790 8.764 0.026 1
1 61 . 2 1 1 A 15 15 ARG HA H 15 4.436 4.297 0.139 1
1 67 . 2 1 1 A 15 15 ARG C C 15 176.254 177.937 -1.683 1
1 68 . 2 1 1 A 15 15 ARG CA C 15 54.848 56.645 -1.797 1
1 69 . 2 1 1 A 15 15 ARG CB C 15 30.217 30.833 -0.616 1
1 72 . 2 1 1 A 15 15 ARG N N 15 124.453 124.481 -0.028 1
1 73 . 2 1 1 A 16 16 LYS H H 16 7.990 8.823 -0.833 1
1 74 . 2 1 1 A 16 16 LYS HA H 16 3.949 4.009 -0.060 1
1 81 . 2 1 1 A 16 16 LYS C C 16 179.133 178.527 0.606 1
1 82 . 2 1 1 A 16 16 LYS CA C 16 60.206 59.552 0.654 1
1 83 . 2 1 1 A 16 16 LYS CB C 16 32.102 32.015 0.087 1
1 87 . 2 1 1 A 16 16 LYS N N 16 120.654 122.675 -2.021 1
1 88 . 2 1 1 A 17 17 GLU H H 17 10.775 8.402 2.373 1
1 89 . 2 1 1 A 17 17 GLU HA H 17 4.126 4.031 0.095 1
1 94 . 2 1 1 A 17 17 GLU C C 17 179.581 179.211 0.370 1
1 95 . 2 1 1 A 17 17 GLU CA C 17 60.262 59.376 0.886 1
1 96 . 2 1 1 A 17 17 GLU CB C 17 28.944 29.762 -0.818 1
1 98 . 2 1 1 A 17 17 GLU N N 17 119.914 119.964 -0.050 1
1 99 . 2 1 1 A 18 18 CYS H H 18 7.314 8.325 -1.011 1
1 100 . 2 1 1 A 18 18 CYS HA H 18 4.166 4.270 -0.104 1
1 103 . 2 1 1 A 18 18 CYS C C 18 176.250 177.480 -1.230 1
1 104 . 2 1 1 A 18 18 CYS CA C 18 61.093 63.030 -1.937 1
1 105 . 2 1 1 A 18 18 CYS CB C 18 27.636 27.039 0.597 1
1 106 . 2 1 1 A 18 18 CYS N N 18 115.339 119.002 -3.663 1
1 107 . 2 1 1 A 19 19 LEU H H 19 7.975 8.223 -0.248 1
1 108 . 2 1 1 A 19 19 LEU HA H 19 3.365 3.581 -0.216 1
1 118 . 2 1 1 A 19 19 LEU C C 19 178.119 178.980 -0.861 1
1 119 . 2 1 1 A 19 19 LEU CA C 19 58.084 57.697 0.387 1
1 120 . 2 1 1 A 19 19 LEU CB C 19 40.713 40.933 -0.220 1
1 124 . 2 1 1 A 19 19 LEU N N 19 120.346 123.006 -2.660 1
1 125 . 2 1 1 A 20 20 ALA H H 20 7.481 7.940 -0.459 1
1 126 . 2 1 1 A 20 20 ALA HA H 20 4.079 3.998 0.081 1
1 130 . 2 1 1 A 20 20 ALA C C 20 180.800 180.553 0.247 1
1 131 . 2 1 1 A 20 20 ALA CA C 20 55.172 55.182 -0.010 1
1 132 . 2 1 1 A 20 20 ALA CB C 20 17.975 18.203 -0.228 1
1 133 . 2 1 1 A 20 20 ALA N N 20 119.101 122.028 -2.927 1
1 134 . 2 1 1 A 21 21 VAL H H 21 6.932 7.349 -0.417 1
1 135 . 2 1 1 A 21 21 VAL HA H 21 3.752 3.493 0.259 1
1 143 . 2 1 1 A 21 21 VAL C C 21 178.850 178.108 0.742 1
1 144 . 2 1 1 A 21 21 VAL CA C 21 66.018 67.231 -1.213 1
1 145 . 2 1 1 A 21 21 VAL CB C 21 32.168 31.422 0.746 1
1 148 . 2 1 1 A 21 21 VAL N N 21 118.965 117.861 1.104 1
1 149 . 2 1 1 A 22 22 MET H H 22 7.925 7.635 0.290 1
1 150 . 2 1 1 A 22 22 MET HA H 22 3.894 4.064 -0.170 1
1 158 . 2 1 1 A 22 22 MET C C 22 177.997 178.533 -0.536 1
1 159 . 2 1 1 A 22 22 MET CA C 22 60.060 58.781 1.279 1
1 160 . 2 1 1 A 22 22 MET CB C 22 30.494 32.075 -1.581 1
1 163 . 2 1 1 A 22 22 MET N N 22 118.668 117.106 1.562 1
1 164 . 2 1 1 A 23 23 GLU H H 23 8.452 7.659 0.793 1
1 165 . 2 1 1 A 23 23 GLU HA H 23 4.048 4.062 -0.014 1
1 170 . 2 1 1 A 23 23 GLU C C 23 178.809 179.086 -0.277 1
1 171 . 2 1 1 A 23 23 GLU CA C 23 59.676 59.228 0.448 1
1 172 . 2 1 1 A 23 23 GLU CB C 23 29.289 28.925 0.364 1
1 174 . 2 1 1 A 23 23 GLU N N 23 118.239 119.604 -1.365 1
1 175 . 2 1 1 A 24 24 SER H H 24 7.431 7.547 -0.116 1
1 176 . 2 1 1 A 24 24 SER HA H 24 4.279 4.273 0.006 1
1 179 . 2 1 1 A 24 24 SER C C 24 177.916 177.253 0.663 1
1 180 . 2 1 1 A 24 24 SER CA C 24 61.785 61.653 0.132 1
1 181 . 2 1 1 A 24 24 SER CB C 24 62.616 63.179 -0.563 1
1 182 . 2 1 1 A 24 24 SER N N 24 113.792 116.010 -2.218 1
1 183 . 2 1 1 A 25 25 TYR H H 25 7.845 8.196 -0.351 1
1 184 . 2 1 1 A 25 25 TYR HA H 25 4.354 4.332 0.022 1
1 191 . 2 1 1 A 25 25 TYR C C 25 178.789 179.012 -0.223 1
1 192 . 2 1 1 A 25 25 TYR CA C 25 63.193 60.848 2.345 1
1 193 . 2 1 1 A 25 25 TYR CB C 25 38.706 38.202 0.504 1
1 198 . 2 1 1 A 25 25 TYR N N 25 120.184 119.223 0.961 1
1 199 . 2 1 1 A 26 26 PHE H H 26 9.279 8.249 1.030 1
1 200 . 2 1 1 A 26 26 PHE HA H 26 4.237 4.680 -0.443 1
1 208 . 2 1 1 A 26 26 PHE C C 26 175.885 178.023 -2.138 1
1 209 . 2 1 1 A 26 26 PHE CA C 26 62.008 61.654 0.354 1
1 210 . 2 1 1 A 26 26 PHE CB C 26 39.072 39.045 0.027 1
1 216 . 2 1 1 A 26 26 PHE N N 26 123.634 120.571 3.063 1
1 217 . 2 1 1 A 27 27 ASN H H 27 7.807 8.024 -0.217 1
1 218 . 2 1 1 A 27 27 ASN HA H 27 4.409 4.488 -0.079 1
1 223 . 2 1 1 A 27 27 ASN C C 27 176.108 177.315 -1.207 1
1 224 . 2 1 1 A 27 27 ASN CA C 27 55.307 56.448 -1.141 1
1 225 . 2 1 1 A 27 27 ASN CB C 27 38.810 37.948 0.862 1
1 226 . 2 1 1 A 27 27 ASN N N 27 112.896 117.417 -4.521 1
1 228 . 2 1 1 A 28 28 GLU H H 28 7.431 7.880 -0.449 1
1 229 . 2 1 1 A 28 28 GLU HA H 28 4.274 4.290 -0.016 1
1 234 . 2 1 1 A 28 28 GLU C C 28 176.880 176.445 0.435 1
1 235 . 2 1 1 A 28 28 GLU CA C 28 57.875 57.991 -0.116 1
1 236 . 2 1 1 A 28 28 GLU CB C 28 30.965 29.800 1.165 1
1 238 . 2 1 1 A 28 28 GLU N N 28 117.899 114.777 3.122 1
1 239 . 2 1 1 A 29 29 ASN H H 29 7.950 8.258 -0.308 1
1 240 . 2 1 1 A 29 29 ASN HA H 29 4.562 4.940 -0.378 1
1 245 . 2 1 1 A 29 29 ASN C C 29 174.036 174.980 -0.944 1
1 246 . 2 1 1 A 29 29 ASN CA C 29 53.654 52.737 0.917 1
1 247 . 2 1 1 A 29 29 ASN CB C 29 39.361 40.566 -1.205 1
1 248 . 2 1 1 A 29 29 ASN N N 29 116.656 117.242 -0.586 1
1 250 . 2 1 1 A 30 30 GLN H H 30 8.658 8.307 0.351 1
1 251 . 2 1 1 A 30 30 GLN HA H 30 3.848 3.180 0.668 1
1 258 . 2 1 1 A 30 30 GLN C C 30 174.503 175.264 -0.761 1
1 259 . 2 1 1 A 30 30 GLN CA C 30 57.336 57.835 -0.499 1
1 260 . 2 1 1 A 30 30 GLN CB C 30 27.978 28.599 -0.621 1
1 262 . 2 1 1 A 30 30 GLN N N 30 122.486 123.496 -1.010 1
1 264 . 2 1 1 A 31 31 TYR H H 31 8.181 7.529 0.652 1
1 265 . 2 1 1 A 31 31 TYR HA H 31 4.769 5.096 -0.327 1
1 272 . 2 1 1 A 31 31 TYR C C 31 172.816 173.137 -0.321 1
1 273 . 2 1 1 A 31 31 TYR CA C 31 55.409 54.111 1.298 1
1 274 . 2 1 1 A 31 31 TYR CB C 31 38.938 38.708 0.230 1
1 279 . 2 1 1 A 31 31 TYR N N 31 116.012 117.475 -1.463 1
1 280 . 2 1 1 A 32 32 PRO HA H 32 4.320 4.575 -0.255 1
1 287 . 2 1 1 A 32 32 PRO C C 32 177.530 176.859 0.671 1
1 288 . 2 1 1 A 32 32 PRO CA C 32 63.041 62.861 0.180 1
1 289 . 2 1 1 A 32 32 PRO CB C 32 31.052 31.963 -0.911 1
1 292 . 2 1 1 A 33 33 ASP H H 33 8.439 8.471 -0.032 1
1 293 . 2 1 1 A 33 33 ASP HA H 33 4.475 4.753 -0.278 1
1 296 . 2 1 1 A 33 33 ASP C C 33 175.397 176.485 -1.088 1
1 297 . 2 1 1 A 33 33 ASP CA C 33 52.562 53.425 -0.863 1
1 298 . 2 1 1 A 33 33 ASP CB C 33 40.363 41.864 -1.501 1
1 299 . 2 1 1 A 33 33 ASP N N 33 125.278 120.933 4.345 1
1 300 . 2 1 1 A 34 34 GLU H H 34 8.644 9.063 -0.419 1
1 301 . 2 1 1 A 34 34 GLU HA H 34 3.613 3.880 -0.267 1
1 306 . 2 1 1 A 34 34 GLU C C 34 178.261 178.249 0.012 1
1 307 . 2 1 1 A 34 34 GLU CA C 34 61.565 59.650 1.915 1
1 308 . 2 1 1 A 34 34 GLU CB C 34 29.289 29.310 -0.021 1
1 310 . 2 1 1 A 34 34 GLU N N 34 118.756 120.876 -2.120 1
1 311 . 2 1 1 A 35 35 ALA H H 35 8.121 8.197 -0.076 1
1 312 . 2 1 1 A 35 35 ALA HA H 35 4.155 4.071 0.084 1
1 316 . 2 1 1 A 35 35 ALA C C 35 181.307 179.651 1.656 1
1 317 . 2 1 1 A 35 35 ALA CA C 35 54.953 55.273 -0.320 1
1 318 . 2 1 1 A 35 35 ALA CB C 35 17.975 18.194 -0.219 1
1 319 . 2 1 1 A 35 35 ALA N N 35 121.196 121.523 -0.327 1
1 320 . 2 1 1 A 36 36 LYS H H 36 8.448 7.767 0.681 1
1 321 . 2 1 1 A 36 36 LYS HA H 36 4.157 4.032 0.125 1
1 330 . 2 1 1 A 36 36 LYS C C 36 178.769 178.548 0.221 1
1 331 . 2 1 1 A 36 36 LYS CA C 36 56.576 59.626 -3.050 1
1 332 . 2 1 1 A 36 36 LYS CB C 36 29.689 32.186 -2.497 1
1 336 . 2 1 1 A 36 36 LYS N N 36 121.690 118.566 3.124 1
1 337 . 2 1 1 A 37 37 ARG H H 37 8.977 8.191 0.786 1
1 338 . 2 1 1 A 37 37 ARG HA H 37 3.711 3.888 -0.177 1
1 345 . 2 1 1 A 37 37 ARG C C 37 178.444 178.925 -0.481 1
1 346 . 2 1 1 A 37 37 ARG CA C 37 61.131 59.511 1.620 1
1 347 . 2 1 1 A 37 37 ARG CB C 37 30.941 29.860 1.081 1
1 350 . 2 1 1 A 37 37 ARG N N 37 117.588 118.741 -1.153 1
1 351 . 2 1 1 A 38 38 GLU H H 38 7.750 7.898 -0.148 1
1 352 . 2 1 1 A 38 38 GLU HA H 38 4.083 4.181 -0.098 1
1 357 . 2 1 1 A 38 38 GLU C C 38 178.301 179.343 -1.042 1
1 358 . 2 1 1 A 38 38 GLU CA C 38 59.321 57.825 1.496 1
1 359 . 2 1 1 A 38 38 GLU CB C 38 29.013 29.554 -0.541 1
1 361 . 2 1 1 A 38 38 GLU N N 38 119.080 119.521 -0.441 1
1 362 . 2 1 1 A 39 39 GLU H H 39 7.540 7.932 -0.392 1
1 363 . 2 1 1 A 39 39 GLU HA H 39 4.048 4.056 -0.008 1
1 368 . 2 1 1 A 39 39 GLU C C 39 179.784 178.722 1.062 1
1 369 . 2 1 1 A 39 39 GLU CA C 39 59.646 59.158 0.488 1
1 370 . 2 1 1 A 39 39 GLU CB C 39 29.409 29.709 -0.300 1
1 372 . 2 1 1 A 39 39 GLU N N 39 121.188 119.606 1.582 1
1 373 . 2 1 1 A 40 40 ILE H H 40 8.634 7.964 0.670 1
1 374 . 2 1 1 A 40 40 ILE HA H 40 3.133 3.429 -0.296 1
1 384 . 2 1 1 A 40 40 ILE C C 40 178.119 177.706 0.413 1
1 385 . 2 1 1 A 40 40 ILE CA C 40 65.462 63.116 2.346 1
1 386 . 2 1 1 A 40 40 ILE CB C 40 37.951 36.714 1.237 1
1 390 . 2 1 1 A 40 40 ILE N N 40 121.126 120.222 0.904 1
1 391 . 2 1 1 A 41 41 ALA H H 41 8.462 8.135 0.327 1
1 392 . 2 1 1 A 41 41 ALA HA H 41 3.713 3.992 -0.279 1
1 396 . 2 1 1 A 41 41 ALA C C 41 178.850 180.256 -1.406 1
1 397 . 2 1 1 A 41 41 ALA CA C 41 56.014 55.350 0.664 1
1 398 . 2 1 1 A 41 41 ALA CB C 41 16.779 17.594 -0.815 1
1 399 . 2 1 1 A 41 41 ALA N N 41 123.029 123.903 -0.874 1
1 400 . 2 1 1 A 42 42 ASN H H 42 8.264 8.737 -0.473 1
1 401 . 2 1 1 A 42 42 ASN HA H 42 4.521 4.428 0.093 1
1 406 . 2 1 1 A 42 42 ASN C C 42 178.220 177.544 0.676 1
1 407 . 2 1 1 A 42 42 ASN CA C 42 56.193 55.733 0.460 1
1 408 . 2 1 1 A 42 42 ASN CB C 42 37.775 37.797 -0.022 1
1 409 . 2 1 1 A 42 42 ASN N N 42 115.462 118.230 -2.768 1
1 411 . 2 1 1 A 43 43 ALA H H 43 8.403 7.643 0.760 1
1 412 . 2 1 1 A 43 43 ALA HA H 43 4.273 4.111 0.162 1
1 416 . 2 1 1 A 43 43 ALA C C 43 180.962 180.136 0.826 1
1 417 . 2 1 1 A 43 43 ALA CA C 43 55.200 55.063 0.137 1
1 418 . 2 1 1 A 43 43 ALA CB C 43 18.478 18.025 0.453 1
1 419 . 2 1 1 A 43 43 ALA N N 43 125.139 122.199 2.940 1
1 420 . 2 1 1 A 44 44 CYS H H 44 8.457 7.699 0.758 1
1 421 . 2 1 1 A 44 44 CYS HA H 44 4.156 4.116 0.040 1
1 424 . 2 1 1 A 44 44 CYS C C 44 176.534 177.031 -0.497 1
1 425 . 2 1 1 A 44 44 CYS CA C 44 64.768 63.710 1.058 1
1 426 . 2 1 1 A 44 44 CYS CB C 44 27.644 27.067 0.577 1
1 427 . 2 1 1 A 44 44 CYS N N 44 116.609 116.223 0.386 1
1 428 . 2 1 1 A 45 45 ASN H H 45 8.346 7.931 0.415 1
1 429 . 2 1 1 A 45 45 ASN HA H 45 4.613 4.513 0.100 1
1 434 . 2 1 1 A 45 45 ASN C C 45 177.631 177.712 -0.081 1
1 435 . 2 1 1 A 45 45 ASN CA C 45 55.723 56.106 -0.383 1
1 436 . 2 1 1 A 45 45 ASN CB C 45 37.526 38.026 -0.500 1
1 437 . 2 1 1 A 45 45 ASN N N 45 117.491 118.434 -0.943 1
1 439 . 2 1 1 A 46 46 ALA H H 46 8.014 7.657 0.357 1
1 440 . 2 1 1 A 46 46 ALA HA H 46 4.200 4.059 0.141 1
1 444 . 2 1 1 A 46 46 ALA C C 46 180.292 179.725 0.567 1
1 445 . 2 1 1 A 46 46 ALA CA C 46 54.805 55.078 -0.273 1
1 446 . 2 1 1 A 46 46 ALA CB C 46 18.283 18.358 -0.075 1
1 447 . 2 1 1 A 46 46 ALA N N 46 120.198 123.447 -3.249 1
1 448 . 2 1 1 A 47 47 VAL H H 47 7.240 8.056 -0.816 1
1 449 . 2 1 1 A 47 47 VAL HA H 47 4.306 3.784 0.522 1
1 457 . 2 1 1 A 47 47 VAL C C 47 177.083 177.656 -0.573 1
1 458 . 2 1 1 A 47 47 VAL CA C 47 63.484 65.559 -2.075 1
1 459 . 2 1 1 A 47 47 VAL CB C 47 31.935 31.463 0.472 1
1 462 . 2 1 1 A 47 47 VAL N N 47 110.165 116.470 -6.305 1
1 463 . 2 1 1 A 48 48 ILE H H 48 7.146 7.457 -0.311 1
1 464 . 2 1 1 A 48 48 ILE HA H 48 4.473 4.542 -0.069 1
1 474 . 2 1 1 A 48 48 ILE C C 48 175.966 176.043 -0.077 1
1 475 . 2 1 1 A 48 48 ILE CA C 48 62.055 63.460 -1.405 1
1 476 . 2 1 1 A 48 48 ILE CB C 48 39.444 38.135 1.309 1
1 480 . 2 1 1 A 48 48 ILE N N 48 112.085 116.838 -4.753 1
1 481 . 2 1 1 A 49 49 GLN H H 49 7.671 8.130 -0.459 1
1 482 . 2 1 1 A 49 49 GLN HA H 49 4.254 4.080 0.174 1
1 489 . 2 1 1 A 49 49 GLN C C 49 175.417 175.637 -0.220 1
1 490 . 2 1 1 A 49 49 GLN CA C 49 56.370 56.558 -0.188 1
1 491 . 2 1 1 A 49 49 GLN CB C 49 29.289 29.152 0.137 1
1 493 . 2 1 1 A 49 49 GLN N N 49 123.076 123.346 -0.270 1
1 495 . 2 1 1 A 50 50 LYS H H 50 8.932 8.473 0.459 1
1 496 . 2 1 1 A 50 50 LYS HA H 50 4.760 4.735 0.025 1
1 502 . 2 1 1 A 50 50 LYS C C 50 174.497 174.345 0.152 1
1 503 . 2 1 1 A 50 50 LYS CA C 50 53.341 53.282 0.059 1
1 504 . 2 1 1 A 50 50 LYS CB C 50 32.860 32.519 0.341 1
1 506 . 2 1 1 A 50 50 LYS N N 50 127.505 125.961 1.544 1
1 507 . 2 1 1 A 51 51 PRO HA H 51 4.328 4.298 0.030 1
1 514 . 2 1 1 A 51 51 PRO CA C 51 64.015 63.740 0.275 1
1 515 . 2 1 1 A 51 51 PRO CB C 51 31.590 31.255 0.335 1
1 518 . 2 1 1 A 52 52 GLY H H 52 8.752 8.776 -0.024 1
1 519 . 2 1 1 A 52 52 GLY HA2 H 52 4.113 3.961 0.152 1
1 520 . 2 1 1 A 52 52 GLY HA3 H 52 3.728 3.962 -0.234 1
1 521 . 2 1 1 A 52 52 GLY C C 52 173.732 173.355 0.377 1
1 522 . 2 1 1 A 52 52 GLY CA C 52 45.646 45.676 -0.030 1
1 523 . 2 1 1 A 53 53 LYS H H 53 7.734 7.406 0.328 1
1 524 . 2 1 1 A 53 53 LYS HA H 53 4.621 4.747 -0.126 1
1 531 . 2 1 1 A 53 53 LYS C C 53 175.681 174.328 1.353 1
1 532 . 2 1 1 A 53 53 LYS CA C 53 54.451 54.648 -0.197 1
1 533 . 2 1 1 A 53 53 LYS CB C 53 34.466 35.531 -1.065 1
1 537 . 2 1 1 A 53 53 LYS N N 53 120.205 120.788 -0.583 1
1 538 . 2 1 1 A 54 54 LYS H H 54 8.536 8.676 -0.140 1
1 539 . 2 1 1 A 54 54 LYS HA H 54 4.412 4.938 -0.526 1
1 546 . 2 1 1 A 54 54 LYS C C 54 177.022 176.220 0.802 1
1 547 . 2 1 1 A 54 54 LYS CA C 54 55.691 54.703 0.988 1
1 548 . 2 1 1 A 54 54 LYS CB C 54 33.453 34.868 -1.415 1
1 552 . 2 1 1 A 54 54 LYS N N 54 124.424 125.766 -1.342 1
1 553 . 2 1 1 A 55 55 LEU H H 55 8.656 8.605 0.051 1
1 554 . 2 1 1 A 55 55 LEU HA H 55 4.407 4.320 0.087 1
1 564 . 2 1 1 A 55 55 LEU C C 55 177.448 176.807 0.641 1
1 565 . 2 1 1 A 55 55 LEU CA C 55 54.670 54.956 -0.286 1
1 566 . 2 1 1 A 55 55 LEU CB C 55 43.243 42.348 0.895 1
1 570 . 2 1 1 A 55 55 LEU N N 55 126.145 127.134 -0.989 1
1 571 . 2 1 1 A 56 56 SER H H 56 9.313 8.866 0.447 1
1 572 . 2 1 1 A 56 56 SER HA H 56 4.496 4.672 -0.176 1
1 575 . 2 1 1 A 56 56 SER C C 56 175.226 174.900 0.326 1
1 576 . 2 1 1 A 56 56 SER CA C 56 57.507 57.470 0.037 1
1 577 . 2 1 1 A 56 56 SER CB C 56 64.802 65.371 -0.569 1
1 578 . 2 1 1 A 56 56 SER N N 56 121.790 117.820 3.970 1
1 579 . 2 1 1 A 57 57 ASP H H 57 8.929 9.182 -0.253 1
1 580 . 2 1 1 A 57 57 ASP HA H 57 4.314 4.350 -0.036 1
1 583 . 2 1 1 A 57 57 ASP C C 57 177.855 178.127 -0.272 1
1 584 . 2 1 1 A 57 57 ASP CA C 57 57.403 56.882 0.521 1
1 585 . 2 1 1 A 57 57 ASP CB C 57 40.353 40.367 -0.014 1
1 586 . 2 1 1 A 58 58 LEU H H 58 7.824 7.798 0.026 1
1 587 . 2 1 1 A 58 58 LEU HA H 58 4.194 4.142 0.052 1
1 597 . 2 1 1 A 58 58 LEU C C 58 177.509 177.711 -0.202 1
1 598 . 2 1 1 A 58 58 LEU CA C 58 56.754 56.827 -0.073 1
1 599 . 2 1 1 A 58 58 LEU CB C 58 42.259 41.603 0.656 1
1 603 . 2 1 1 A 58 58 LEU N N 58 117.552 119.351 -1.799 1
1 604 . 2 1 1 A 59 59 GLU H H 59 7.325 7.710 -0.385 1
1 605 . 2 1 1 A 59 59 GLU HA H 59 4.286 4.135 0.151 1
1 610 . 2 1 1 A 59 59 GLU C C 59 175.661 176.521 -0.860 1
1 611 . 2 1 1 A 59 59 GLU CA C 59 56.370 56.022 0.348 1
1 612 . 2 1 1 A 59 59 GLU CB C 59 32.314 30.875 1.439 1
1 614 . 2 1 1 A 59 59 GLU N N 59 115.631 116.544 -0.913 1
1 615 . 2 1 1 A 60 60 ARG H H 60 7.408 7.859 -0.451 1
1 616 . 2 1 1 A 60 60 ARG HA H 60 3.948 4.598 -0.650 1
1 623 . 2 1 1 A 60 60 ARG C C 60 175.194 175.340 -0.146 1
1 624 . 2 1 1 A 60 60 ARG CA C 60 57.167 56.717 0.450 1
1 625 . 2 1 1 A 60 60 ARG CB C 60 31.083 30.512 0.571 1
1 628 . 2 1 1 A 60 60 ARG N N 60 118.018 122.456 -4.438 1
1 629 . 2 1 1 A 61 61 VAL H H 61 10.175 9.227 0.948 1
1 630 . 2 1 1 A 61 61 VAL HA H 61 3.462 4.380 -0.918 1
1 638 . 2 1 1 A 61 61 VAL C C 61 175.681 176.094 -0.413 1
1 639 . 2 1 1 A 61 61 VAL CA C 61 65.077 62.806 2.271 1
1 640 . 2 1 1 A 61 61 VAL CB C 61 31.702 31.425 0.277 1
1 643 . 2 1 1 A 61 61 VAL N N 61 128.658 128.097 0.561 1
1 644 . 2 1 1 A 62 62 THR H H 62 6.270 8.558 -2.288 1
1 645 . 2 1 1 A 62 62 THR HA H 62 4.780 4.790 -0.010 1
1 650 . 2 1 1 A 62 62 THR C C 62 175.064 176.147 -1.083 1
1 651 . 2 1 1 A 62 62 THR CA C 62 58.600 60.131 -1.531 1
1 652 . 2 1 1 A 62 62 THR CB C 62 72.355 71.819 0.536 1
1 654 . 2 1 1 A 62 62 THR N N 62 114.178 120.091 -5.913 1
1 655 . 2 1 1 A 63 63 SER HA H 63 3.869 4.129 -0.260 1
1 658 . 2 1 1 A 63 63 SER C C 63 176.656 176.558 0.098 1
1 659 . 2 1 1 A 63 63 SER CA C 63 61.433 62.072 -0.639 1
1 660 . 2 1 1 A 63 63 SER CB C 63 62.197 62.367 -0.170 1
1 661 . 2 1 1 A 64 64 LEU H H 64 8.062 8.061 0.001 1
1 662 . 2 1 1 A 64 64 LEU HA H 64 4.367 4.121 0.246 1
1 672 . 2 1 1 A 64 64 LEU C C 64 178.789 178.985 -0.196 1
1 673 . 2 1 1 A 64 64 LEU CA C 64 57.964 57.916 0.048 1
1 674 . 2 1 1 A 64 64 LEU CB C 64 42.052 41.833 0.219 1
1 678 . 2 1 1 A 64 64 LEU N N 64 123.294 124.152 -0.858 1
1 679 . 2 1 1 A 65 65 LYS H H 65 7.524 7.769 -0.245 1
1 680 . 2 1 1 A 65 65 LYS HA H 65 4.292 4.037 0.255 1
1 689 . 2 1 1 A 65 65 LYS C C 65 180.779 179.581 1.198 1
1 690 . 2 1 1 A 65 65 LYS CA C 65 60.266 59.643 0.623 1
1 691 . 2 1 1 A 65 65 LYS CB C 65 32.808 32.428 0.380 1
1 695 . 2 1 1 A 65 65 LYS N N 65 119.262 119.039 0.223 1
1 696 . 2 1 1 A 66 66 VAL H H 66 8.290 7.651 0.639 1
1 697 . 2 1 1 A 66 66 VAL HA H 66 4.075 3.792 0.283 1
1 705 . 2 1 1 A 66 66 VAL C C 66 177.509 177.963 -0.454 1
1 706 . 2 1 1 A 66 66 VAL CA C 66 66.963 66.505 0.458 1
1 707 . 2 1 1 A 66 66 VAL CB C 66 32.419 31.492 0.927 1
1 710 . 2 1 1 A 66 66 VAL N N 66 119.900 120.365 -0.465 1
1 711 . 2 1 1 A 67 67 TYR H H 67 8.893 8.179 0.714 1
1 712 . 2 1 1 A 67 67 TYR HA H 67 3.857 4.164 -0.307 1
1 719 . 2 1 1 A 67 67 TYR C C 67 177.956 178.144 -0.188 1
1 720 . 2 1 1 A 67 67 TYR CA C 67 62.897 61.596 1.301 1
1 721 . 2 1 1 A 67 67 TYR CB C 67 38.326 38.525 -0.199 1
1 726 . 2 1 1 A 67 67 TYR N N 67 120.861 121.167 -0.306 1
1 727 . 2 1 1 A 68 68 ASN H H 68 8.561 8.035 0.526 1
1 728 . 2 1 1 A 68 68 ASN HA H 68 4.545 4.458 0.087 1
1 733 . 2 1 1 A 68 68 ASN C C 68 177.570 178.123 -0.553 1
1 734 . 2 1 1 A 68 68 ASN CA C 68 56.222 56.601 -0.379 1
1 735 . 2 1 1 A 68 68 ASN CB C 68 38.465 38.405 0.060 1
1 736 . 2 1 1 A 68 68 ASN N N 68 117.386 117.339 0.047 1
1 738 . 2 1 1 A 69 69 TRP H H 69 8.655 8.165 0.490 1
1 739 . 2 1 1 A 69 69 TRP HA H 69 4.151 4.308 -0.157 1
1 748 . 2 1 1 A 69 69 TRP C C 69 179.764 178.246 1.518 1
1 749 . 2 1 1 A 69 69 TRP CA C 69 63.194 61.360 1.834 1
1 750 . 2 1 1 A 69 69 TRP CB C 69 29.720 29.360 0.360 1
1 756 . 2 1 1 A 69 69 TRP N N 69 123.454 122.645 0.809 1
1 758 . 2 1 1 A 70 70 PHE H H 70 9.166 8.611 0.555 1
1 759 . 2 1 1 A 70 70 PHE HA H 70 3.745 4.389 -0.644 1
1 767 . 2 1 1 A 70 70 PHE C C 70 177.469 178.442 -0.973 1
1 768 . 2 1 1 A 70 70 PHE CA C 70 62.862 61.811 1.051 1
1 769 . 2 1 1 A 70 70 PHE CB C 70 39.115 38.236 0.879 1
1 775 . 2 1 1 A 70 70 PHE N N 70 120.259 118.329 1.930 1
1 776 . 2 1 1 A 71 71 ALA H H 71 8.169 8.305 -0.136 1
1 777 . 2 1 1 A 71 71 ALA HA H 71 3.868 3.936 -0.068 1
1 781 . 2 1 1 A 71 71 ALA C C 71 180.698 179.839 0.859 1
1 782 . 2 1 1 A 71 71 ALA CA C 71 55.307 55.129 0.178 1
1 783 . 2 1 1 A 71 71 ALA CB C 71 17.697 17.921 -0.224 1
1 784 . 2 1 1 A 71 71 ALA N N 71 120.051 122.256 -2.205 1
1 785 . 2 1 1 A 72 72 ASN H H 72 7.789 7.766 0.023 1
1 786 . 2 1 1 A 72 72 ASN HA H 72 4.280 4.302 -0.022 1
1 791 . 2 1 1 A 72 72 ASN C C 72 177.022 177.495 -0.473 1
1 792 . 2 1 1 A 72 72 ASN CA C 72 56.222 56.087 0.135 1
1 793 . 2 1 1 A 72 72 ASN CB C 72 38.363 38.608 -0.245 1
1 794 . 2 1 1 A 72 72 ASN N N 72 116.515 116.424 0.091 1
1 796 . 2 1 1 A 73 73 ARG H H 73 7.999 7.472 0.527 1
1 797 . 2 1 1 A 73 73 ARG HA H 73 3.416 3.597 -0.181 1
1 805 . 2 1 1 A 73 73 ARG C C 73 178.708 178.590 0.118 1
1 806 . 2 1 1 A 73 73 ARG CA C 73 57.403 58.988 -1.585 1
1 807 . 2 1 1 A 73 73 ARG CB C 73 28.264 29.280 -1.016 1
1 810 . 2 1 1 A 73 73 ARG N N 73 123.203 119.631 3.572 1
1 812 . 2 1 1 A 74 74 ARG H H 74 8.033 7.738 0.295 1
1 813 . 2 1 1 A 74 74 ARG HA H 74 4.017 4.158 -0.141 1
1 820 . 2 1 1 A 74 74 ARG C C 74 178.850 179.097 -0.247 1
1 821 . 2 1 1 A 74 74 ARG CA C 74 60.414 59.189 1.225 1
1 822 . 2 1 1 A 74 74 ARG CB C 74 31.221 30.061 1.160 1
1 825 . 2 1 1 A 74 74 ARG N N 74 116.187 118.743 -2.556 1
1 826 . 2 1 1 A 75 75 LYS H H 75 7.359 7.960 -0.601 1
1 827 . 2 1 1 A 75 75 LYS HA H 75 4.054 4.032 0.022 1
1 834 . 2 1 1 A 75 75 LYS C C 75 178.301 178.855 -0.554 1
1 835 . 2 1 1 A 75 75 LYS CA C 75 58.908 59.280 -0.372 1
1 836 . 2 1 1 A 75 75 LYS CB C 75 32.463 31.928 0.535 1
1 840 . 2 1 1 A 75 75 LYS N N 75 118.329 118.664 -0.335 1
1 841 . 2 1 1 A 76 76 GLU H H 76 7.769 7.808 -0.039 1
1 842 . 2 1 1 A 76 76 GLU HA H 76 4.051 4.009 0.042 1
1 847 . 2 1 1 A 76 76 GLU C C 76 178.261 179.050 -0.789 1
1 848 . 2 1 1 A 76 76 GLU CA C 76 58.200 58.959 -0.759 1
1 849 . 2 1 1 A 76 76 GLU CB C 76 29.841 29.409 0.432 1
1 851 . 2 1 1 A 76 76 GLU N N 76 119.947 119.068 0.879 1
1 852 . 2 1 1 A 77 77 ILE H H 77 7.826 7.725 0.101 1
1 853 . 2 1 1 A 77 77 ILE HA H 77 3.856 3.782 0.074 1
1 863 . 2 1 1 A 77 77 ILE C C 77 177.794 177.704 0.090 1
1 864 . 2 1 1 A 77 77 ILE CA C 77 63.454 64.129 -0.675 1
1 865 . 2 1 1 A 77 77 ILE CB C 77 38.016 37.528 0.488 1
1 869 . 2 1 1 A 77 77 ILE N N 77 119.278 117.829 1.449 1
1 870 . 2 1 1 A 78 78 LYS H H 78 7.802 8.321 -0.519 1
1 871 . 2 1 1 A 78 78 LYS HA H 78 4.196 4.028 0.168 1
1 878 . 2 1 1 A 78 78 LYS C C 78 177.591 178.951 -1.360 1
1 879 . 2 1 1 A 78 78 LYS CA C 78 57.728 59.033 -1.305 1
1 880 . 2 1 1 A 78 78 LYS CB C 78 32.601 31.959 0.642 1
1 884 . 2 1 1 A 78 78 LYS N N 78 122.041 122.187 -0.146 1
1 885 . 2 1 1 A 79 79 ARG H H 79 8.053 8.259 -0.206 1
1 886 . 2 1 1 A 79 79 ARG HA H 79 4.196 4.035 0.161 1
1 891 . 2 1 1 A 79 79 ARG C C 79 177.448 178.102 -0.654 1
1 892 . 2 1 1 A 79 79 ARG CA C 79 57.639 58.846 -1.207 1
1 893 . 2 1 1 A 79 79 ARG CB C 79 30.531 29.625 0.906 1
1 896 . 2 1 1 A 79 79 ARG N N 79 120.496 119.633 0.863 1
1 897 . 2 1 1 A 80 80 ARG H H 80 8.083 7.910 0.173 1
1 898 . 2 1 1 A 80 80 ARG HA H 80 4.193 4.125 0.068 1
1 904 . 2 1 1 A 80 80 ARG C C 80 176.786 178.294 -1.508 1
1 905 . 2 1 1 A 80 80 ARG CA C 80 57.196 58.488 -1.292 1
1 906 . 2 1 1 A 80 80 ARG CB C 80 30.531 29.663 0.868 1
1 909 . 2 1 1 A 80 80 ARG N N 80 120.092 119.473 0.619 1
1 910 . 2 1 1 A 81 81 ALA H H 81 8.062 7.427 0.635 1
1 911 . 2 1 1 A 81 81 ALA HA H 81 4.256 4.158 0.098 1
1 915 . 2 1 1 A 81 81 ALA C C 81 178.013 178.839 -0.826 1
1 916 . 2 1 1 A 81 81 ALA CA C 81 53.141 53.644 -0.503 1
1 917 . 2 1 1 A 81 81 ALA CB C 81 19.003 18.293 0.710 1
1 918 . 2 1 1 A 81 81 ALA N N 81 123.434 121.293 2.141 1
1 919 . 2 1 1 A 82 82 ASN H H 82 8.219 7.548 0.671 1
1 920 . 2 1 1 A 82 82 ASN HA H 82 4.661 4.754 -0.093 1
1 925 . 2 1 1 A 82 82 ASN C C 82 175.620 175.120 0.500 1
1 926 . 2 1 1 A 82 82 ASN CA C 82 53.686 54.910 -1.224 1
1 927 . 2 1 1 A 82 82 ASN CB C 82 38.672 39.547 -0.875 1
1 928 . 2 1 1 A 82 82 ASN N N 82 117.551 116.516 1.035 1
1 930 . 2 1 1 A 83 83 ILE H H 83 7.949 7.782 0.167 1
1 931 . 2 1 1 A 83 83 ILE HA H 83 4.077 3.748 0.329 1
1 941 . 2 1 1 A 83 83 ILE C C 83 176.291 174.926 1.365 1
1 942 . 2 1 1 A 83 83 ILE CA C 83 61.695 62.642 -0.947 1
1 943 . 2 1 1 A 83 83 ILE CB C 83 38.672 36.461 2.211 1
1 947 . 2 1 1 A 83 83 ILE N N 83 120.666 119.256 1.410 1
1 948 . 2 1 1 A 84 84 ALA H H 84 8.184 7.821 0.363 1
1 949 . 2 1 1 A 84 84 ALA HA H 84 4.262 4.377 -0.115 1
1 953 . 2 1 1 A 84 84 ALA C C 84 177.794 176.695 1.099 1
1 954 . 2 1 1 A 84 84 ALA CA C 84 53.005 51.113 1.892 1
1 955 . 2 1 1 A 84 84 ALA CB C 84 18.941 17.977 0.964 1
1 956 . 2 1 1 A 84 84 ALA N N 84 126.306 124.168 2.138 1
1 957 . 2 1 1 A 85 85 ALA H H 85 8.019 8.119 -0.100 1
1 958 . 2 1 1 A 85 85 ALA HA H 85 4.263 4.263 0.000 1
1 962 . 2 1 1 A 85 85 ALA C C 85 178.143 177.043 1.100 1
1 963 . 2 1 1 A 85 85 ALA CA C 85 52.857 53.196 -0.339 1
1 964 . 2 1 1 A 85 85 ALA CB C 85 19.170 19.381 -0.211 1
1 965 . 2 1 1 A 85 85 ALA N N 85 122.320 124.531 -2.211 1
1 966 . 2 1 1 A 86 86 ILE H H 86 7.959 8.700 -0.741 1
1 967 . 2 1 1 A 86 86 ILE HA H 86 4.077 4.119 -0.042 1
1 977 . 2 1 1 A 86 86 ILE C C 86 176.697 176.576 0.121 1
1 978 . 2 1 1 A 86 86 ILE CA C 86 61.654 64.066 -2.412 1
1 979 . 2 1 1 A 86 86 ILE CB C 86 38.603 38.233 0.370 1
1 983 . 2 1 1 A 86 86 ILE N N 86 119.762 124.960 -5.198 1
1 984 . 2 1 1 A 87 87 LEU H H 87 8.219 7.697 0.522 1
1 985 . 2 1 1 A 87 87 LEU HA H 87 4.340 4.167 0.173 1
1 995 . 2 1 1 A 87 87 LEU C C 87 177.616 175.720 1.896 1
1 996 . 2 1 1 A 87 87 LEU CA C 87 55.425 56.042 -0.617 1
1 997 . 2 1 1 A 87 87 LEU CB C 87 42.328 42.478 -0.150 1
1 1001 . 2 1 1 A 87 87 LEU N N 87 125.404 123.748 1.656 1
1 1002 . 2 1 1 A 88 88 GLU H H 88 8.321 8.714 -0.393 1
1 1003 . 2 1 1 A 88 88 GLU HA H 88 4.287 4.670 -0.383 1
1 1008 . 2 1 1 A 88 88 GLU C C 88 176.636 175.661 0.975 1
1 1009 . 2 1 1 A 88 88 GLU CA C 88 56.872 55.160 1.712 1
1 1010 . 2 1 1 A 88 88 GLU CB C 88 30.186 30.358 -0.172 1
1 1012 . 2 1 1 A 88 88 GLU N N 88 121.673 127.542 -5.869 1
1 1013 . 2 1 1 A 89 89 SER H H 89 8.254 8.738 -0.484 1
1 1014 . 2 1 1 A 89 89 SER HA H 89 4.483 4.322 0.161 1
1 1017 . 2 1 1 A 89 89 SER C C 89 174.693 174.148 0.545 1
1 1018 . 2 1 1 A 89 89 SER CA C 89 58.395 60.194 -1.799 1
1 1019 . 2 1 1 A 89 89 SER CB C 89 64.017 63.837 0.180 1
1 1020 . 2 1 1 A 89 89 SER N N 89 116.276 124.072 -7.796 1
1 1021 . 2 1 1 A 90 90 SER H H 90 8.346 8.778 -0.432 1
1 1022 . 2 1 1 A 90 90 SER HA H 90 4.478 4.910 -0.432 1
1 1024 . 2 1 1 A 90 90 SER C C 90 174.564 174.279 0.285 1
1 1025 . 2 1 1 A 90 90 SER CA C 90 58.525 57.356 1.169 1
1 1026 . 2 1 1 A 90 90 SER CB C 90 64.129 62.304 1.825 1
1 1027 . 2 1 1 A 90 90 SER N N 90 117.689 120.755 -3.066 1
1 1028 . 2 1 1 A 91 91 GLY H H 91 8.213 8.278 -0.065 1
1 1029 . 2 1 1 A 91 91 GLY HA2 H 91 4.112 4.126 -0.014 1
1 1030 . 2 1 1 A 91 91 GLY HA3 H 91 4.112 4.126 -0.014 1
1 1031 . 2 1 1 A 91 91 GLY C C 91 171.803 172.483 -0.680 1
1 1032 . 2 1 1 A 91 91 GLY CA C 91 44.743 44.736 0.007 1
1 1033 . 2 1 1 A 91 91 GLY N N 91 110.570 112.850 -2.280 1
1 1034 . 2 1 1 A 92 92 PRO HA H 92 4.530 4.568 -0.038 1
1 1035 . 2 1 1 A 93 93 SER HA H 93 4.498 4.664 -0.166 1
1 1037 . 2 1 1 A 93 93 SER C C 93 173.981 173.424 0.557 1
1 1038 . 2 1 1 A 93 93 SER CA C 93 57.378 57.311 0.067 1
1 1039 . 2 1 1 A 93 93 SER CB C 93 58.505 64.069 -5.564 1
1 1040 . 2 1 1 A 94 94 SER H H 94 8.032 8.823 -0.791 1
1 1041 . 2 1 1 A 94 94 SER HA H 94 4.498 4.528 -0.030 1
1 1043 . 2 1 1 A 94 94 SER C C 94 173.955 174.626 -0.671 1
1 1044 . 2 1 1 A 94 94 SER CA C 94 58.436 57.597 0.839 1
1 1045 . 2 1 1 A 94 94 SER CB C 94 64.017 62.645 1.372 1
1 1046 . 2 1 1 A 94 94 SER N N 94 116.327 121.698 -5.371 1
1 1 . 3 1 1 A 11 11 ARG HA H 11 4.442 4.303 0.139 1
1 6 . 3 1 1 A 11 11 ARG C C 11 175.365 176.247 -0.882 1
1 7 . 3 1 1 A 11 11 ARG CA C 11 55.738 58.578 -2.840 1
1 8 . 3 1 1 A 11 11 ARG CB C 11 31.419 30.820 0.599 1
1 11 . 3 1 1 A 12 12 PHE H H 12 8.430 7.669 0.761 1
1 12 . 3 1 1 A 12 12 PHE HA H 12 4.481 4.712 -0.231 1
1 20 . 3 1 1 A 12 12 PHE C C 12 174.869 173.175 1.694 1
1 21 . 3 1 1 A 12 12 PHE CA C 12 58.525 57.347 1.178 1
1 22 . 3 1 1 A 12 12 PHE CB C 12 39.955 42.421 -2.466 1
1 28 . 3 1 1 A 12 12 PHE N N 12 123.637 116.316 7.321 1
1 29 . 3 1 1 A 13 13 THR H H 13 7.543 7.903 -0.360 1
1 30 . 3 1 1 A 13 13 THR HA H 13 4.216 4.893 -0.677 1
1 35 . 3 1 1 A 13 13 THR C C 13 172.757 172.810 -0.053 1
1 36 . 3 1 1 A 13 13 THR CA C 13 60.703 60.298 0.405 1
1 37 . 3 1 1 A 13 13 THR CB C 13 70.578 71.806 -1.228 1
1 39 . 3 1 1 A 13 13 THR N N 13 122.237 119.556 2.681 1
1 40 . 3 1 1 A 14 14 TRP H H 14 8.427 8.832 -0.405 1
1 41 . 3 1 1 A 14 14 TRP HA H 14 4.195 5.121 -0.926 1
1 50 . 3 1 1 A 14 14 TRP C C 14 177.225 175.750 1.475 1
1 51 . 3 1 1 A 14 14 TRP CA C 14 57.137 55.707 1.430 1
1 52 . 3 1 1 A 14 14 TRP CB C 14 29.919 30.832 -0.913 1
1 58 . 3 1 1 A 14 14 TRP N N 14 125.363 125.579 -0.216 1
1 60 . 3 1 1 A 15 15 ARG H H 15 8.790 9.202 -0.412 1
1 61 . 3 1 1 A 15 15 ARG HA H 15 4.436 4.398 0.038 1
1 67 . 3 1 1 A 15 15 ARG C C 15 176.254 178.054 -1.800 1
1 68 . 3 1 1 A 15 15 ARG CA C 15 54.848 55.888 -1.040 1
1 69 . 3 1 1 A 15 15 ARG CB C 15 30.217 31.146 -0.929 1
1 72 . 3 1 1 A 15 15 ARG N N 15 124.453 124.248 0.205 1
1 73 . 3 1 1 A 16 16 LYS H H 16 7.990 8.809 -0.819 1
1 74 . 3 1 1 A 16 16 LYS HA H 16 3.949 3.977 -0.028 1
1 81 . 3 1 1 A 16 16 LYS C C 16 179.133 178.451 0.682 1
1 82 . 3 1 1 A 16 16 LYS CA C 16 60.206 59.670 0.536 1
1 83 . 3 1 1 A 16 16 LYS CB C 16 32.102 32.074 0.028 1
1 87 . 3 1 1 A 16 16 LYS N N 16 120.654 123.022 -2.368 1
1 88 . 3 1 1 A 17 17 GLU H H 17 10.775 8.416 2.359 1
1 89 . 3 1 1 A 17 17 GLU HA H 17 4.126 4.031 0.095 1
1 94 . 3 1 1 A 17 17 GLU C C 17 179.581 179.211 0.370 1
1 95 . 3 1 1 A 17 17 GLU CA C 17 60.262 59.370 0.892 1
1 96 . 3 1 1 A 17 17 GLU CB C 17 28.944 29.823 -0.879 1
1 98 . 3 1 1 A 17 17 GLU N N 17 119.914 120.369 -0.455 1
1 99 . 3 1 1 A 18 18 CYS H H 18 7.314 8.313 -0.999 1
1 100 . 3 1 1 A 18 18 CYS HA H 18 4.166 4.277 -0.111 1
1 103 . 3 1 1 A 18 18 CYS C C 18 176.250 177.500 -1.250 1
1 104 . 3 1 1 A 18 18 CYS CA C 18 61.093 63.225 -2.132 1
1 105 . 3 1 1 A 18 18 CYS CB C 18 27.636 27.007 0.629 1
1 106 . 3 1 1 A 18 18 CYS N N 18 115.339 118.964 -3.625 1
1 107 . 3 1 1 A 19 19 LEU H H 19 7.975 8.262 -0.287 1
1 108 . 3 1 1 A 19 19 LEU HA H 19 3.365 3.609 -0.244 1
1 118 . 3 1 1 A 19 19 LEU C C 19 178.119 179.268 -1.149 1
1 119 . 3 1 1 A 19 19 LEU CA C 19 58.084 57.641 0.443 1
1 120 . 3 1 1 A 19 19 LEU CB C 19 40.713 40.720 -0.007 1
1 124 . 3 1 1 A 19 19 LEU N N 19 120.346 122.782 -2.436 1
1 125 . 3 1 1 A 20 20 ALA H H 20 7.481 7.731 -0.250 1
1 126 . 3 1 1 A 20 20 ALA HA H 20 4.079 4.078 0.001 1
1 130 . 3 1 1 A 20 20 ALA C C 20 180.800 180.320 0.480 1
1 131 . 3 1 1 A 20 20 ALA CA C 20 55.172 55.022 0.150 1
1 132 . 3 1 1 A 20 20 ALA CB C 20 17.975 18.413 -0.438 1
1 133 . 3 1 1 A 20 20 ALA N N 20 119.101 122.208 -3.107 1
1 134 . 3 1 1 A 21 21 VAL H H 21 6.932 7.306 -0.374 1
1 135 . 3 1 1 A 21 21 VAL HA H 21 3.752 3.596 0.156 1
1 143 . 3 1 1 A 21 21 VAL C C 21 178.850 178.101 0.749 1
1 144 . 3 1 1 A 21 21 VAL CA C 21 66.018 67.070 -1.052 1
1 145 . 3 1 1 A 21 21 VAL CB C 21 32.168 31.571 0.597 1
1 148 . 3 1 1 A 21 21 VAL N N 21 118.965 117.933 1.032 1
1 149 . 3 1 1 A 22 22 MET H H 22 7.925 7.885 0.040 1
1 150 . 3 1 1 A 22 22 MET HA H 22 3.894 4.122 -0.228 1
1 158 . 3 1 1 A 22 22 MET C C 22 177.997 178.683 -0.686 1
1 159 . 3 1 1 A 22 22 MET CA C 22 60.060 58.859 1.201 1
1 160 . 3 1 1 A 22 22 MET CB C 22 30.494 32.446 -1.952 1
1 163 . 3 1 1 A 22 22 MET N N 22 118.668 117.007 1.661 1
1 164 . 3 1 1 A 23 23 GLU H H 23 8.452 7.743 0.709 1
1 165 . 3 1 1 A 23 23 GLU HA H 23 4.048 4.132 -0.084 1
1 170 . 3 1 1 A 23 23 GLU C C 23 178.809 179.120 -0.311 1
1 171 . 3 1 1 A 23 23 GLU CA C 23 59.676 59.182 0.494 1
1 172 . 3 1 1 A 23 23 GLU CB C 23 29.289 29.242 0.047 1
1 174 . 3 1 1 A 23 23 GLU N N 23 118.239 118.862 -0.623 1
1 175 . 3 1 1 A 24 24 SER H H 24 7.431 7.880 -0.449 1
1 176 . 3 1 1 A 24 24 SER HA H 24 4.279 4.270 0.009 1
1 179 . 3 1 1 A 24 24 SER C C 24 177.916 177.161 0.755 1
1 180 . 3 1 1 A 24 24 SER CA C 24 61.785 61.428 0.357 1
1 181 . 3 1 1 A 24 24 SER CB C 24 62.616 62.749 -0.133 1
1 182 . 3 1 1 A 24 24 SER N N 24 113.792 115.902 -2.110 1
1 183 . 3 1 1 A 25 25 TYR H H 25 7.845 8.142 -0.297 1
1 184 . 3 1 1 A 25 25 TYR HA H 25 4.354 4.364 -0.010 1
1 191 . 3 1 1 A 25 25 TYR C C 25 178.789 178.928 -0.139 1
1 192 . 3 1 1 A 25 25 TYR CA C 25 63.193 60.830 2.363 1
1 193 . 3 1 1 A 25 25 TYR CB C 25 38.706 37.934 0.772 1
1 198 . 3 1 1 A 25 25 TYR N N 25 120.184 119.339 0.845 1
1 199 . 3 1 1 A 26 26 PHE H H 26 9.279 8.403 0.876 1
1 200 . 3 1 1 A 26 26 PHE HA H 26 4.237 4.765 -0.528 1
1 208 . 3 1 1 A 26 26 PHE C C 26 175.885 177.967 -2.082 1
1 209 . 3 1 1 A 26 26 PHE CA C 26 62.008 61.538 0.470 1
1 210 . 3 1 1 A 26 26 PHE CB C 26 39.072 39.110 -0.038 1
1 216 . 3 1 1 A 26 26 PHE N N 26 123.634 120.609 3.025 1
1 217 . 3 1 1 A 27 27 ASN H H 27 7.807 8.156 -0.349 1
1 218 . 3 1 1 A 27 27 ASN HA H 27 4.409 4.453 -0.044 1
1 223 . 3 1 1 A 27 27 ASN C C 27 176.108 177.556 -1.448 1
1 224 . 3 1 1 A 27 27 ASN CA C 27 55.307 56.469 -1.162 1
1 225 . 3 1 1 A 27 27 ASN CB C 27 38.810 37.921 0.889 1
1 226 . 3 1 1 A 27 27 ASN N N 27 112.896 117.103 -4.207 1
1 228 . 3 1 1 A 28 28 GLU H H 28 7.431 8.062 -0.631 1
1 229 . 3 1 1 A 28 28 GLU HA H 28 4.274 4.253 0.021 1
1 234 . 3 1 1 A 28 28 GLU C C 28 176.880 176.409 0.471 1
1 235 . 3 1 1 A 28 28 GLU CA C 28 57.875 58.089 -0.214 1
1 236 . 3 1 1 A 28 28 GLU CB C 28 30.965 29.299 1.666 1
1 238 . 3 1 1 A 28 28 GLU N N 28 117.899 114.749 3.150 1
1 239 . 3 1 1 A 29 29 ASN H H 29 7.950 7.995 -0.045 1
1 240 . 3 1 1 A 29 29 ASN HA H 29 4.562 4.989 -0.427 1
1 245 . 3 1 1 A 29 29 ASN C C 29 174.036 175.123 -1.087 1
1 246 . 3 1 1 A 29 29 ASN CA C 29 53.654 52.941 0.713 1
1 247 . 3 1 1 A 29 29 ASN CB C 29 39.361 40.737 -1.376 1
1 248 . 3 1 1 A 29 29 ASN N N 29 116.656 117.228 -0.572 1
1 250 . 3 1 1 A 30 30 GLN H H 30 8.658 8.376 0.282 1
1 251 . 3 1 1 A 30 30 GLN HA H 30 3.848 3.145 0.703 1
1 258 . 3 1 1 A 30 30 GLN C C 30 174.503 175.487 -0.984 1
1 259 . 3 1 1 A 30 30 GLN CA C 30 57.336 58.539 -1.203 1
1 260 . 3 1 1 A 30 30 GLN CB C 30 27.978 29.018 -1.040 1
1 262 . 3 1 1 A 30 30 GLN N N 30 122.486 123.686 -1.200 1
1 264 . 3 1 1 A 31 31 TYR H H 31 8.181 7.995 0.186 1
1 265 . 3 1 1 A 31 31 TYR HA H 31 4.769 5.096 -0.327 1
1 272 . 3 1 1 A 31 31 TYR C C 31 172.816 173.425 -0.609 1
1 273 . 3 1 1 A 31 31 TYR CA C 31 55.409 54.187 1.222 1
1 274 . 3 1 1 A 31 31 TYR CB C 31 38.938 38.942 -0.004 1
1 279 . 3 1 1 A 31 31 TYR N N 31 116.012 117.417 -1.405 1
1 280 . 3 1 1 A 32 32 PRO HA H 32 4.320 4.613 -0.293 1
1 287 . 3 1 1 A 32 32 PRO C C 32 177.530 176.959 0.571 1
1 288 . 3 1 1 A 32 32 PRO CA C 32 63.041 62.648 0.393 1
1 289 . 3 1 1 A 32 32 PRO CB C 32 31.052 31.774 -0.722 1
1 292 . 3 1 1 A 33 33 ASP H H 33 8.439 8.472 -0.033 1
1 293 . 3 1 1 A 33 33 ASP HA H 33 4.475 4.669 -0.194 1
1 296 . 3 1 1 A 33 33 ASP C C 33 175.397 177.562 -2.165 1
1 297 . 3 1 1 A 33 33 ASP CA C 33 52.562 54.421 -1.859 1
1 298 . 3 1 1 A 33 33 ASP CB C 33 40.363 41.895 -1.532 1
1 299 . 3 1 1 A 33 33 ASP N N 33 125.278 122.232 3.046 1
1 300 . 3 1 1 A 34 34 GLU H H 34 8.644 8.856 -0.212 1
1 301 . 3 1 1 A 34 34 GLU HA H 34 3.613 3.850 -0.237 1
1 306 . 3 1 1 A 34 34 GLU C C 34 178.261 178.527 -0.266 1
1 307 . 3 1 1 A 34 34 GLU CA C 34 61.565 59.088 2.477 1
1 308 . 3 1 1 A 34 34 GLU CB C 34 29.289 29.462 -0.173 1
1 310 . 3 1 1 A 34 34 GLU N N 34 118.756 121.271 -2.515 1
1 311 . 3 1 1 A 35 35 ALA H H 35 8.121 8.072 0.049 1
1 312 . 3 1 1 A 35 35 ALA HA H 35 4.155 4.045 0.110 1
1 316 . 3 1 1 A 35 35 ALA C C 35 181.307 179.436 1.871 1
1 317 . 3 1 1 A 35 35 ALA CA C 35 54.953 55.135 -0.182 1
1 318 . 3 1 1 A 35 35 ALA CB C 35 17.975 18.355 -0.380 1
1 319 . 3 1 1 A 35 35 ALA N N 35 121.196 121.879 -0.683 1
1 320 . 3 1 1 A 36 36 LYS H H 36 8.448 7.928 0.520 1
1 321 . 3 1 1 A 36 36 LYS HA H 36 4.157 4.002 0.155 1
1 330 . 3 1 1 A 36 36 LYS C C 36 178.769 178.580 0.189 1
1 331 . 3 1 1 A 36 36 LYS CA C 36 56.576 59.708 -3.132 1
1 332 . 3 1 1 A 36 36 LYS CB C 36 29.689 32.449 -2.760 1
1 336 . 3 1 1 A 36 36 LYS N N 36 121.690 118.260 3.430 1
1 337 . 3 1 1 A 37 37 ARG H H 37 8.977 8.057 0.920 1
1 338 . 3 1 1 A 37 37 ARG HA H 37 3.711 3.906 -0.195 1
1 345 . 3 1 1 A 37 37 ARG C C 37 178.444 178.895 -0.451 1
1 346 . 3 1 1 A 37 37 ARG CA C 37 61.131 59.367 1.764 1
1 347 . 3 1 1 A 37 37 ARG CB C 37 30.941 29.855 1.086 1
1 350 . 3 1 1 A 37 37 ARG N N 37 117.588 118.845 -1.257 1
1 351 . 3 1 1 A 38 38 GLU H H 38 7.750 7.941 -0.191 1
1 352 . 3 1 1 A 38 38 GLU HA H 38 4.083 4.167 -0.084 1
1 357 . 3 1 1 A 38 38 GLU C C 38 178.301 179.325 -1.024 1
1 358 . 3 1 1 A 38 38 GLU CA C 38 59.321 57.490 1.831 1
1 359 . 3 1 1 A 38 38 GLU CB C 38 29.013 29.603 -0.590 1
1 361 . 3 1 1 A 38 38 GLU N N 38 119.080 119.452 -0.372 1
1 362 . 3 1 1 A 39 39 GLU H H 39 7.540 7.969 -0.429 1
1 363 . 3 1 1 A 39 39 GLU HA H 39 4.048 4.050 -0.002 1
1 368 . 3 1 1 A 39 39 GLU C C 39 179.784 178.719 1.065 1
1 369 . 3 1 1 A 39 39 GLU CA C 39 59.646 59.142 0.504 1
1 370 . 3 1 1 A 39 39 GLU CB C 39 29.409 29.720 -0.311 1
1 372 . 3 1 1 A 39 39 GLU N N 39 121.188 119.530 1.658 1
1 373 . 3 1 1 A 40 40 ILE H H 40 8.634 7.808 0.826 1
1 374 . 3 1 1 A 40 40 ILE HA H 40 3.133 3.288 -0.155 1
1 384 . 3 1 1 A 40 40 ILE C C 40 178.119 177.698 0.421 1
1 385 . 3 1 1 A 40 40 ILE CA C 40 65.462 62.865 2.597 1
1 386 . 3 1 1 A 40 40 ILE CB C 40 37.951 36.681 1.270 1
1 390 . 3 1 1 A 40 40 ILE N N 40 121.126 120.146 0.980 1
1 391 . 3 1 1 A 41 41 ALA H H 41 8.462 8.093 0.369 1
1 392 . 3 1 1 A 41 41 ALA HA H 41 3.713 3.995 -0.282 1
1 396 . 3 1 1 A 41 41 ALA C C 41 178.850 180.302 -1.452 1
1 397 . 3 1 1 A 41 41 ALA CA C 41 56.014 55.599 0.415 1
1 398 . 3 1 1 A 41 41 ALA CB C 41 16.779 17.892 -1.113 1
1 399 . 3 1 1 A 41 41 ALA N N 41 123.029 123.827 -0.798 1
1 400 . 3 1 1 A 42 42 ASN H H 42 8.264 8.599 -0.335 1
1 401 . 3 1 1 A 42 42 ASN HA H 42 4.521 4.453 0.068 1
1 406 . 3 1 1 A 42 42 ASN C C 42 178.220 177.654 0.566 1
1 407 . 3 1 1 A 42 42 ASN CA C 42 56.193 55.867 0.326 1
1 408 . 3 1 1 A 42 42 ASN CB C 42 37.775 37.772 0.003 1
1 409 . 3 1 1 A 42 42 ASN N N 42 115.462 117.784 -2.322 1
1 411 . 3 1 1 A 43 43 ALA H H 43 8.403 7.609 0.794 1
1 412 . 3 1 1 A 43 43 ALA HA H 43 4.273 4.113 0.160 1
1 416 . 3 1 1 A 43 43 ALA C C 43 180.962 180.207 0.755 1
1 417 . 3 1 1 A 43 43 ALA CA C 43 55.200 55.030 0.170 1
1 418 . 3 1 1 A 43 43 ALA CB C 43 18.478 18.061 0.417 1
1 419 . 3 1 1 A 43 43 ALA N N 43 125.139 122.055 3.084 1
1 420 . 3 1 1 A 44 44 CYS H H 44 8.457 7.732 0.725 1
1 421 . 3 1 1 A 44 44 CYS HA H 44 4.156 4.129 0.027 1
1 424 . 3 1 1 A 44 44 CYS C C 44 176.534 176.973 -0.439 1
1 425 . 3 1 1 A 44 44 CYS CA C 44 64.768 63.701 1.067 1
1 426 . 3 1 1 A 44 44 CYS CB C 44 27.644 26.992 0.652 1
1 427 . 3 1 1 A 44 44 CYS N N 44 116.609 116.225 0.384 1
1 428 . 3 1 1 A 45 45 ASN H H 45 8.346 7.885 0.461 1
1 429 . 3 1 1 A 45 45 ASN HA H 45 4.613 4.518 0.095 1
1 434 . 3 1 1 A 45 45 ASN C C 45 177.631 177.671 -0.040 1
1 435 . 3 1 1 A 45 45 ASN CA C 45 55.723 56.117 -0.394 1
1 436 . 3 1 1 A 45 45 ASN CB C 45 37.526 38.029 -0.503 1
1 437 . 3 1 1 A 45 45 ASN N N 45 117.491 118.448 -0.957 1
1 439 . 3 1 1 A 46 46 ALA H H 46 8.014 7.709 0.305 1
1 440 . 3 1 1 A 46 46 ALA HA H 46 4.200 4.050 0.150 1
1 444 . 3 1 1 A 46 46 ALA C C 46 180.292 179.532 0.760 1
1 445 . 3 1 1 A 46 46 ALA CA C 46 54.805 55.079 -0.274 1
1 446 . 3 1 1 A 46 46 ALA CB C 46 18.283 18.316 -0.033 1
1 447 . 3 1 1 A 46 46 ALA N N 46 120.198 123.432 -3.234 1
1 448 . 3 1 1 A 47 47 VAL H H 47 7.240 7.980 -0.740 1
1 449 . 3 1 1 A 47 47 VAL HA H 47 4.306 3.824 0.482 1
1 457 . 3 1 1 A 47 47 VAL C C 47 177.083 176.750 0.333 1
1 458 . 3 1 1 A 47 47 VAL CA C 47 63.484 65.218 -1.734 1
1 459 . 3 1 1 A 47 47 VAL CB C 47 31.935 31.498 0.437 1
1 462 . 3 1 1 A 47 47 VAL N N 47 110.165 116.388 -6.223 1
1 463 . 3 1 1 A 48 48 ILE H H 48 7.146 7.514 -0.368 1
1 464 . 3 1 1 A 48 48 ILE HA H 48 4.473 4.438 0.035 1
1 474 . 3 1 1 A 48 48 ILE C C 48 175.966 175.922 0.044 1
1 475 . 3 1 1 A 48 48 ILE CA C 48 62.055 61.611 0.444 1
1 476 . 3 1 1 A 48 48 ILE CB C 48 39.444 39.149 0.295 1
1 480 . 3 1 1 A 48 48 ILE N N 48 112.085 116.311 -4.226 1
1 481 . 3 1 1 A 49 49 GLN H H 49 7.671 8.115 -0.444 1
1 482 . 3 1 1 A 49 49 GLN HA H 49 4.254 4.089 0.165 1
1 489 . 3 1 1 A 49 49 GLN C C 49 175.417 175.347 0.070 1
1 490 . 3 1 1 A 49 49 GLN CA C 49 56.370 56.346 0.024 1
1 491 . 3 1 1 A 49 49 GLN CB C 49 29.289 29.020 0.269 1
1 493 . 3 1 1 A 49 49 GLN N N 49 123.076 123.484 -0.408 1
1 495 . 3 1 1 A 50 50 LYS H H 50 8.932 8.638 0.294 1
1 496 . 3 1 1 A 50 50 LYS HA H 50 4.760 4.736 0.024 1
1 502 . 3 1 1 A 50 50 LYS C C 50 174.497 174.200 0.297 1
1 503 . 3 1 1 A 50 50 LYS CA C 50 53.341 53.264 0.077 1
1 504 . 3 1 1 A 50 50 LYS CB C 50 32.860 33.048 -0.188 1
1 506 . 3 1 1 A 50 50 LYS N N 50 127.505 127.188 0.317 1
1 507 . 3 1 1 A 51 51 PRO HA H 51 4.328 4.300 0.028 1
1 514 . 3 1 1 A 51 51 PRO CA C 51 64.015 63.739 0.276 1
1 515 . 3 1 1 A 51 51 PRO CB C 51 31.590 31.265 0.325 1
1 518 . 3 1 1 A 52 52 GLY H H 52 8.752 8.788 -0.036 1
1 519 . 3 1 1 A 52 52 GLY HA2 H 52 4.113 3.979 0.134 1
1 520 . 3 1 1 A 52 52 GLY HA3 H 52 3.728 3.979 -0.251 1
1 521 . 3 1 1 A 52 52 GLY C C 52 173.732 173.553 0.179 1
1 522 . 3 1 1 A 52 52 GLY CA C 52 45.646 45.662 -0.016 1
1 523 . 3 1 1 A 53 53 LYS H H 53 7.734 7.405 0.329 1
1 524 . 3 1 1 A 53 53 LYS HA H 53 4.621 4.730 -0.109 1
1 531 . 3 1 1 A 53 53 LYS C C 53 175.681 174.237 1.444 1
1 532 . 3 1 1 A 53 53 LYS CA C 53 54.451 54.735 -0.284 1
1 533 . 3 1 1 A 53 53 LYS CB C 53 34.466 35.448 -0.982 1
1 537 . 3 1 1 A 53 53 LYS N N 53 120.205 120.989 -0.784 1
1 538 . 3 1 1 A 54 54 LYS H H 54 8.536 8.581 -0.045 1
1 539 . 3 1 1 A 54 54 LYS HA H 54 4.412 4.751 -0.339 1
1 546 . 3 1 1 A 54 54 LYS C C 54 177.022 176.473 0.549 1
1 547 . 3 1 1 A 54 54 LYS CA C 54 55.691 54.991 0.700 1
1 548 . 3 1 1 A 54 54 LYS CB C 54 33.453 33.981 -0.528 1
1 552 . 3 1 1 A 54 54 LYS N N 54 124.424 127.623 -3.199 1
1 553 . 3 1 1 A 55 55 LEU H H 55 8.656 8.623 0.033 1
1 554 . 3 1 1 A 55 55 LEU HA H 55 4.407 4.354 0.053 1
1 564 . 3 1 1 A 55 55 LEU C C 55 177.448 176.589 0.859 1
1 565 . 3 1 1 A 55 55 LEU CA C 55 54.670 54.889 -0.219 1
1 566 . 3 1 1 A 55 55 LEU CB C 55 43.243 42.218 1.025 1
1 570 . 3 1 1 A 55 55 LEU N N 55 126.145 127.243 -1.098 1
1 571 . 3 1 1 A 56 56 SER H H 56 9.313 8.841 0.472 1
1 572 . 3 1 1 A 56 56 SER HA H 56 4.496 4.748 -0.252 1
1 575 . 3 1 1 A 56 56 SER C C 56 175.226 175.175 0.051 1
1 576 . 3 1 1 A 56 56 SER CA C 56 57.507 57.335 0.172 1
1 577 . 3 1 1 A 56 56 SER CB C 56 64.802 65.540 -0.738 1
1 578 . 3 1 1 A 56 56 SER N N 56 121.790 118.440 3.350 1
1 579 . 3 1 1 A 57 57 ASP H H 57 8.929 9.014 -0.085 1
1 580 . 3 1 1 A 57 57 ASP HA H 57 4.314 4.304 0.010 1
1 583 . 3 1 1 A 57 57 ASP C C 57 177.855 178.082 -0.227 1
1 584 . 3 1 1 A 57 57 ASP CA C 57 57.403 56.986 0.417 1
1 585 . 3 1 1 A 57 57 ASP CB C 57 40.353 40.332 0.021 1
1 586 . 3 1 1 A 58 58 LEU H H 58 7.824 7.797 0.027 1
1 587 . 3 1 1 A 58 58 LEU HA H 58 4.194 4.181 0.013 1
1 597 . 3 1 1 A 58 58 LEU C C 58 177.509 178.303 -0.794 1
1 598 . 3 1 1 A 58 58 LEU CA C 58 56.754 57.493 -0.739 1
1 599 . 3 1 1 A 58 58 LEU CB C 58 42.259 41.670 0.589 1
1 603 . 3 1 1 A 58 58 LEU N N 58 117.552 118.217 -0.665 1
1 604 . 3 1 1 A 59 59 GLU H H 59 7.325 7.862 -0.537 1
1 605 . 3 1 1 A 59 59 GLU HA H 59 4.286 4.481 -0.195 1
1 610 . 3 1 1 A 59 59 GLU C C 59 175.661 176.473 -0.812 1
1 611 . 3 1 1 A 59 59 GLU CA C 59 56.370 55.929 0.441 1
1 612 . 3 1 1 A 59 59 GLU CB C 59 32.314 31.316 0.998 1
1 614 . 3 1 1 A 59 59 GLU N N 59 115.631 116.068 -0.437 1
1 615 . 3 1 1 A 60 60 ARG H H 60 7.408 7.970 -0.562 1
1 616 . 3 1 1 A 60 60 ARG HA H 60 3.948 4.585 -0.637 1
1 623 . 3 1 1 A 60 60 ARG C C 60 175.194 175.397 -0.203 1
1 624 . 3 1 1 A 60 60 ARG CA C 60 57.167 56.447 0.720 1
1 625 . 3 1 1 A 60 60 ARG CB C 60 31.083 30.627 0.456 1
1 628 . 3 1 1 A 60 60 ARG N N 60 118.018 122.631 -4.613 1
1 629 . 3 1 1 A 61 61 VAL H H 61 10.175 9.428 0.747 1
1 630 . 3 1 1 A 61 61 VAL HA H 61 3.462 4.444 -0.982 1
1 638 . 3 1 1 A 61 61 VAL C C 61 175.681 176.235 -0.554 1
1 639 . 3 1 1 A 61 61 VAL CA C 61 65.077 62.130 2.947 1
1 640 . 3 1 1 A 61 61 VAL CB C 61 31.702 31.967 -0.265 1
1 643 . 3 1 1 A 61 61 VAL N N 61 128.658 128.283 0.375 1
1 644 . 3 1 1 A 62 62 THR H H 62 6.270 8.649 -2.379 1
1 645 . 3 1 1 A 62 62 THR HA H 62 4.780 4.758 0.022 1
1 650 . 3 1 1 A 62 62 THR C C 62 175.064 176.190 -1.126 1
1 651 . 3 1 1 A 62 62 THR CA C 62 58.600 60.138 -1.538 1
1 652 . 3 1 1 A 62 62 THR CB C 62 72.355 71.614 0.741 1
1 654 . 3 1 1 A 62 62 THR N N 62 114.178 120.486 -6.308 1
1 655 . 3 1 1 A 63 63 SER HA H 63 3.869 4.140 -0.271 1
1 658 . 3 1 1 A 63 63 SER C C 63 176.656 176.746 -0.090 1
1 659 . 3 1 1 A 63 63 SER CA C 63 61.433 61.991 -0.558 1
1 660 . 3 1 1 A 63 63 SER CB C 63 62.197 62.340 -0.143 1
1 661 . 3 1 1 A 64 64 LEU H H 64 8.062 8.093 -0.031 1
1 662 . 3 1 1 A 64 64 LEU HA H 64 4.367 4.131 0.236 1
1 672 . 3 1 1 A 64 64 LEU C C 64 178.789 179.166 -0.377 1
1 673 . 3 1 1 A 64 64 LEU CA C 64 57.964 57.785 0.179 1
1 674 . 3 1 1 A 64 64 LEU CB C 64 42.052 41.846 0.206 1
1 678 . 3 1 1 A 64 64 LEU N N 64 123.294 125.039 -1.745 1
1 679 . 3 1 1 A 65 65 LYS H H 65 7.524 7.799 -0.275 1
1 680 . 3 1 1 A 65 65 LYS HA H 65 4.292 4.062 0.230 1
1 689 . 3 1 1 A 65 65 LYS C C 65 180.779 179.596 1.183 1
1 690 . 3 1 1 A 65 65 LYS CA C 65 60.266 59.571 0.695 1
1 691 . 3 1 1 A 65 65 LYS CB C 65 32.808 32.419 0.389 1
1 695 . 3 1 1 A 65 65 LYS N N 65 119.262 119.076 0.186 1
1 696 . 3 1 1 A 66 66 VAL H H 66 8.290 7.790 0.500 1
1 697 . 3 1 1 A 66 66 VAL HA H 66 4.075 3.924 0.151 1
1 705 . 3 1 1 A 66 66 VAL C C 66 177.509 177.839 -0.330 1
1 706 . 3 1 1 A 66 66 VAL CA C 66 66.963 66.650 0.313 1
1 707 . 3 1 1 A 66 66 VAL CB C 66 32.419 31.563 0.856 1
1 710 . 3 1 1 A 66 66 VAL N N 66 119.900 120.404 -0.504 1
1 711 . 3 1 1 A 67 67 TYR H H 67 8.893 8.192 0.701 1
1 712 . 3 1 1 A 67 67 TYR HA H 67 3.857 4.186 -0.329 1
1 719 . 3 1 1 A 67 67 TYR C C 67 177.956 178.118 -0.162 1
1 720 . 3 1 1 A 67 67 TYR CA C 67 62.897 61.599 1.298 1
1 721 . 3 1 1 A 67 67 TYR CB C 67 38.326 38.508 -0.182 1
1 726 . 3 1 1 A 67 67 TYR N N 67 120.861 121.114 -0.253 1
1 727 . 3 1 1 A 68 68 ASN H H 68 8.561 8.090 0.471 1
1 728 . 3 1 1 A 68 68 ASN HA H 68 4.545 4.499 0.046 1
1 733 . 3 1 1 A 68 68 ASN C C 68 177.570 178.242 -0.672 1
1 734 . 3 1 1 A 68 68 ASN CA C 68 56.222 56.638 -0.416 1
1 735 . 3 1 1 A 68 68 ASN CB C 68 38.465 38.446 0.019 1
1 736 . 3 1 1 A 68 68 ASN N N 68 117.386 117.360 0.026 1
1 738 . 3 1 1 A 69 69 TRP H H 69 8.655 8.245 0.410 1
1 739 . 3 1 1 A 69 69 TRP HA H 69 4.151 4.352 -0.201 1
1 748 . 3 1 1 A 69 69 TRP C C 69 179.764 178.286 1.478 1
1 749 . 3 1 1 A 69 69 TRP CA C 69 63.194 61.444 1.750 1
1 750 . 3 1 1 A 69 69 TRP CB C 69 29.720 29.528 0.192 1
1 756 . 3 1 1 A 69 69 TRP N N 69 123.454 122.724 0.730 1
1 758 . 3 1 1 A 70 70 PHE H H 70 9.166 8.737 0.429 1
1 759 . 3 1 1 A 70 70 PHE HA H 70 3.745 4.475 -0.730 1
1 767 . 3 1 1 A 70 70 PHE C C 70 177.469 178.265 -0.796 1
1 768 . 3 1 1 A 70 70 PHE CA C 70 62.862 61.915 0.947 1
1 769 . 3 1 1 A 70 70 PHE CB C 70 39.115 38.057 1.058 1
1 775 . 3 1 1 A 70 70 PHE N N 70 120.259 118.313 1.946 1
1 776 . 3 1 1 A 71 71 ALA H H 71 8.169 8.287 -0.118 1
1 777 . 3 1 1 A 71 71 ALA HA H 71 3.868 3.914 -0.046 1
1 781 . 3 1 1 A 71 71 ALA C C 71 180.698 179.656 1.042 1
1 782 . 3 1 1 A 71 71 ALA CA C 71 55.307 55.149 0.158 1
1 783 . 3 1 1 A 71 71 ALA CB C 71 17.697 17.933 -0.236 1
1 784 . 3 1 1 A 71 71 ALA N N 71 120.051 122.558 -2.507 1
1 785 . 3 1 1 A 72 72 ASN H H 72 7.789 7.726 0.063 1
1 786 . 3 1 1 A 72 72 ASN HA H 72 4.280 4.329 -0.049 1
1 791 . 3 1 1 A 72 72 ASN C C 72 177.022 177.761 -0.739 1
1 792 . 3 1 1 A 72 72 ASN CA C 72 56.222 56.157 0.065 1
1 793 . 3 1 1 A 72 72 ASN CB C 72 38.363 38.834 -0.471 1
1 794 . 3 1 1 A 72 72 ASN N N 72 116.515 116.500 0.015 1
1 796 . 3 1 1 A 73 73 ARG H H 73 7.999 7.477 0.522 1
1 797 . 3 1 1 A 73 73 ARG HA H 73 3.416 3.803 -0.387 1
1 805 . 3 1 1 A 73 73 ARG C C 73 178.708 178.616 0.092 1
1 806 . 3 1 1 A 73 73 ARG CA C 73 57.403 58.983 -1.580 1
1 807 . 3 1 1 A 73 73 ARG CB C 73 28.264 29.323 -1.059 1
1 810 . 3 1 1 A 73 73 ARG N N 73 123.203 119.681 3.522 1
1 812 . 3 1 1 A 74 74 ARG H H 74 8.033 7.916 0.117 1
1 813 . 3 1 1 A 74 74 ARG HA H 74 4.017 4.183 -0.166 1
1 820 . 3 1 1 A 74 74 ARG C C 74 178.850 179.241 -0.391 1
1 821 . 3 1 1 A 74 74 ARG CA C 74 60.414 59.235 1.179 1
1 822 . 3 1 1 A 74 74 ARG CB C 74 31.221 29.920 1.301 1
1 825 . 3 1 1 A 74 74 ARG N N 74 116.187 119.039 -2.852 1
1 826 . 3 1 1 A 75 75 LYS H H 75 7.359 8.177 -0.818 1
1 827 . 3 1 1 A 75 75 LYS HA H 75 4.054 4.041 0.013 1
1 834 . 3 1 1 A 75 75 LYS C C 75 178.301 178.657 -0.356 1
1 835 . 3 1 1 A 75 75 LYS CA C 75 58.908 59.296 -0.388 1
1 836 . 3 1 1 A 75 75 LYS CB C 75 32.463 31.849 0.614 1
1 840 . 3 1 1 A 75 75 LYS N N 75 118.329 118.656 -0.327 1
1 841 . 3 1 1 A 76 76 GLU H H 76 7.769 7.617 0.152 1
1 842 . 3 1 1 A 76 76 GLU HA H 76 4.051 4.026 0.025 1
1 847 . 3 1 1 A 76 76 GLU C C 76 178.261 179.054 -0.793 1
1 848 . 3 1 1 A 76 76 GLU CA C 76 58.200 58.935 -0.735 1
1 849 . 3 1 1 A 76 76 GLU CB C 76 29.841 29.460 0.381 1
1 851 . 3 1 1 A 76 76 GLU N N 76 119.947 119.059 0.888 1
1 852 . 3 1 1 A 77 77 ILE H H 77 7.826 7.512 0.314 1
1 853 . 3 1 1 A 77 77 ILE HA H 77 3.856 3.798 0.058 1
1 863 . 3 1 1 A 77 77 ILE C C 77 177.794 178.033 -0.239 1
1 864 . 3 1 1 A 77 77 ILE CA C 77 63.454 64.099 -0.645 1
1 865 . 3 1 1 A 77 77 ILE CB C 77 38.016 37.546 0.470 1
1 869 . 3 1 1 A 77 77 ILE N N 77 119.278 117.865 1.413 1
1 870 . 3 1 1 A 78 78 LYS H H 78 7.802 8.317 -0.515 1
1 871 . 3 1 1 A 78 78 LYS HA H 78 4.196 3.968 0.228 1
1 878 . 3 1 1 A 78 78 LYS C C 78 177.591 177.960 -0.369 1
1 879 . 3 1 1 A 78 78 LYS CA C 78 57.728 59.304 -1.576 1
1 880 . 3 1 1 A 78 78 LYS CB C 78 32.601 32.156 0.445 1
1 884 . 3 1 1 A 78 78 LYS N N 78 122.041 121.692 0.349 1
1 885 . 3 1 1 A 79 79 ARG H H 79 8.053 8.184 -0.131 1
1 886 . 3 1 1 A 79 79 ARG HA H 79 4.196 4.064 0.132 1
1 891 . 3 1 1 A 79 79 ARG C C 79 177.448 178.358 -0.910 1
1 892 . 3 1 1 A 79 79 ARG CA C 79 57.639 59.235 -1.596 1
1 893 . 3 1 1 A 79 79 ARG CB C 79 30.531 29.959 0.572 1
1 896 . 3 1 1 A 79 79 ARG N N 79 120.496 118.875 1.621 1
1 897 . 3 1 1 A 80 80 ARG H H 80 8.083 7.506 0.577 1
1 898 . 3 1 1 A 80 80 ARG HA H 80 4.193 4.107 0.086 1
1 904 . 3 1 1 A 80 80 ARG C C 80 176.786 177.569 -0.783 1
1 905 . 3 1 1 A 80 80 ARG CA C 80 57.196 58.478 -1.282 1
1 906 . 3 1 1 A 80 80 ARG CB C 80 30.531 29.864 0.667 1
1 909 . 3 1 1 A 80 80 ARG N N 80 120.092 119.193 0.899 1
1 910 . 3 1 1 A 81 81 ALA H H 81 8.062 7.438 0.624 1
1 911 . 3 1 1 A 81 81 ALA HA H 81 4.256 4.311 -0.055 1
1 915 . 3 1 1 A 81 81 ALA C C 81 178.013 178.112 -0.099 1
1 916 . 3 1 1 A 81 81 ALA CA C 81 53.141 52.672 0.469 1
1 917 . 3 1 1 A 81 81 ALA CB C 81 19.003 19.564 -0.561 1
1 918 . 3 1 1 A 81 81 ALA N N 81 123.434 120.613 2.821 1
1 919 . 3 1 1 A 82 82 ASN H H 82 8.219 7.687 0.532 1
1 920 . 3 1 1 A 82 82 ASN HA H 82 4.661 4.994 -0.333 1
1 925 . 3 1 1 A 82 82 ASN C C 82 175.620 175.646 -0.026 1
1 926 . 3 1 1 A 82 82 ASN CA C 82 53.686 52.790 0.896 1
1 927 . 3 1 1 A 82 82 ASN CB C 82 38.672 39.283 -0.611 1
1 928 . 3 1 1 A 82 82 ASN N N 82 117.551 114.470 3.081 1
1 930 . 3 1 1 A 83 83 ILE H H 83 7.949 7.675 0.274 1
1 931 . 3 1 1 A 83 83 ILE HA H 83 4.077 3.601 0.476 1
1 941 . 3 1 1 A 83 83 ILE C C 83 176.291 176.173 0.118 1
1 942 . 3 1 1 A 83 83 ILE CA C 83 61.695 65.473 -3.778 1
1 943 . 3 1 1 A 83 83 ILE CB C 83 38.672 37.727 0.945 1
1 947 . 3 1 1 A 83 83 ILE N N 83 120.666 120.316 0.350 1
1 948 . 3 1 1 A 84 84 ALA H H 84 8.184 7.942 0.242 1
1 949 . 3 1 1 A 84 84 ALA HA H 84 4.262 3.903 0.359 1
1 953 . 3 1 1 A 84 84 ALA C C 84 177.794 175.855 1.939 1
1 954 . 3 1 1 A 84 84 ALA CA C 84 53.005 53.163 -0.158 1
1 955 . 3 1 1 A 84 84 ALA CB C 84 18.941 17.008 1.933 1
1 956 . 3 1 1 A 84 84 ALA N N 84 126.306 122.430 3.876 1
1 957 . 3 1 1 A 85 85 ALA H H 85 8.019 7.652 0.367 1
1 958 . 3 1 1 A 85 85 ALA HA H 85 4.263 4.560 -0.297 1
1 962 . 3 1 1 A 85 85 ALA C C 85 178.143 176.507 1.636 1
1 963 . 3 1 1 A 85 85 ALA CA C 85 52.857 50.816 2.041 1
1 964 . 3 1 1 A 85 85 ALA CB C 85 19.170 20.311 -1.141 1
1 965 . 3 1 1 A 85 85 ALA N N 85 122.320 118.708 3.612 1
1 966 . 3 1 1 A 86 86 ILE H H 86 7.959 8.569 -0.610 1
1 967 . 3 1 1 A 86 86 ILE HA H 86 4.077 4.183 -0.106 1
1 977 . 3 1 1 A 86 86 ILE C C 86 176.697 176.089 0.608 1
1 978 . 3 1 1 A 86 86 ILE CA C 86 61.654 62.638 -0.984 1
1 979 . 3 1 1 A 86 86 ILE CB C 86 38.603 38.924 -0.321 1
1 983 . 3 1 1 A 86 86 ILE N N 86 119.762 124.388 -4.626 1
1 984 . 3 1 1 A 87 87 LEU H H 87 8.219 7.643 0.576 1
1 985 . 3 1 1 A 87 87 LEU HA H 87 4.340 4.120 0.220 1
1 995 . 3 1 1 A 87 87 LEU C C 87 177.616 176.729 0.887 1
1 996 . 3 1 1 A 87 87 LEU CA C 87 55.425 55.719 -0.294 1
1 997 . 3 1 1 A 87 87 LEU CB C 87 42.328 43.485 -1.157 1
1 1001 . 3 1 1 A 87 87 LEU N N 87 125.404 124.148 1.256 1
1 1002 . 3 1 1 A 88 88 GLU H H 88 8.321 8.590 -0.269 1
1 1003 . 3 1 1 A 88 88 GLU HA H 88 4.287 4.512 -0.225 1
1 1008 . 3 1 1 A 88 88 GLU C C 88 176.636 176.393 0.243 1
1 1009 . 3 1 1 A 88 88 GLU CA C 88 56.872 55.993 0.879 1
1 1010 . 3 1 1 A 88 88 GLU CB C 88 30.186 29.167 1.019 1
1 1012 . 3 1 1 A 88 88 GLU N N 88 121.673 125.011 -3.338 1
1 1013 . 3 1 1 A 89 89 SER H H 89 8.254 8.409 -0.155 1
1 1014 . 3 1 1 A 89 89 SER HA H 89 4.483 4.764 -0.281 1
1 1017 . 3 1 1 A 89 89 SER C C 89 174.693 175.829 -1.136 1
1 1018 . 3 1 1 A 89 89 SER CA C 89 58.395 57.407 0.988 1
1 1019 . 3 1 1 A 89 89 SER CB C 89 64.017 65.471 -1.454 1
1 1020 . 3 1 1 A 89 89 SER N N 89 116.276 120.877 -4.601 1
1 1021 . 3 1 1 A 90 90 SER H H 90 8.346 8.642 -0.296 1
1 1022 . 3 1 1 A 90 90 SER HA H 90 4.478 4.219 0.259 1
1 1024 . 3 1 1 A 90 90 SER C C 90 174.564 174.255 0.309 1
1 1025 . 3 1 1 A 90 90 SER CA C 90 58.525 60.022 -1.497 1
1 1026 . 3 1 1 A 90 90 SER CB C 90 64.129 63.790 0.339 1
1 1027 . 3 1 1 A 90 90 SER N N 90 117.689 115.465 2.224 1
1 1028 . 3 1 1 A 91 91 GLY H H 91 8.213 7.483 0.730 1
1 1029 . 3 1 1 A 91 91 GLY HA2 H 91 4.112 4.064 0.048 1
1 1030 . 3 1 1 A 91 91 GLY HA3 H 91 4.112 4.065 0.047 1
1 1031 . 3 1 1 A 91 91 GLY C C 91 171.803 172.525 -0.722 1
1 1032 . 3 1 1 A 91 91 GLY CA C 91 44.743 44.221 0.522 1
1 1033 . 3 1 1 A 91 91 GLY N N 91 110.570 107.702 2.868 1
1 1034 . 3 1 1 A 92 92 PRO HA H 92 4.530 4.772 -0.242 1
1 1035 . 3 1 1 A 93 93 SER HA H 93 4.498 4.674 -0.176 1
1 1037 . 3 1 1 A 93 93 SER C C 93 173.981 174.152 -0.171 1
1 1038 . 3 1 1 A 93 93 SER CA C 93 57.378 57.379 -0.001 1
1 1039 . 3 1 1 A 93 93 SER CB C 93 58.505 65.638 -7.133 1
1 1040 . 3 1 1 A 94 94 SER H H 94 8.032 8.838 -0.806 1
1 1041 . 3 1 1 A 94 94 SER HA H 94 4.498 4.120 0.378 1
1 1043 . 3 1 1 A 94 94 SER C C 94 173.955 175.562 -1.607 1
1 1044 . 3 1 1 A 94 94 SER CA C 94 58.436 62.563 -4.127 1
1 1045 . 3 1 1 A 94 94 SER CB C 94 64.017 63.073 0.944 1
1 1046 . 3 1 1 A 94 94 SER N N 94 116.327 119.305 -2.978 1
1 1 . 4 1 1 A 11 11 ARG HA H 11 4.442 3.913 0.529 1
1 6 . 4 1 1 A 11 11 ARG C C 11 175.365 174.795 0.570 1
1 7 . 4 1 1 A 11 11 ARG CA C 11 55.738 57.068 -1.330 1
1 8 . 4 1 1 A 11 11 ARG CB C 11 31.419 27.300 4.119 1
1 11 . 4 1 1 A 12 12 PHE H H 12 8.430 7.855 0.575 1
1 12 . 4 1 1 A 12 12 PHE HA H 12 4.481 4.681 -0.200 1
1 20 . 4 1 1 A 12 12 PHE C C 12 174.869 173.153 1.716 1
1 21 . 4 1 1 A 12 12 PHE CA C 12 58.525 58.029 0.496 1
1 22 . 4 1 1 A 12 12 PHE CB C 12 39.955 42.569 -2.614 1
1 28 . 4 1 1 A 12 12 PHE N N 12 123.637 118.216 5.421 1
1 29 . 4 1 1 A 13 13 THR H H 13 7.543 8.182 -0.639 1
1 30 . 4 1 1 A 13 13 THR HA H 13 4.216 4.800 -0.584 1
1 35 . 4 1 1 A 13 13 THR C C 13 172.757 171.967 0.790 1
1 36 . 4 1 1 A 13 13 THR CA C 13 60.703 59.163 1.540 1
1 37 . 4 1 1 A 13 13 THR CB C 13 70.578 72.017 -1.439 1
1 39 . 4 1 1 A 13 13 THR N N 13 122.237 119.090 3.147 1
1 40 . 4 1 1 A 14 14 TRP H H 14 8.427 8.543 -0.116 1
1 41 . 4 1 1 A 14 14 TRP HA H 14 4.195 5.124 -0.929 1
1 50 . 4 1 1 A 14 14 TRP C C 14 177.225 175.861 1.364 1
1 51 . 4 1 1 A 14 14 TRP CA C 14 57.137 55.351 1.786 1
1 52 . 4 1 1 A 14 14 TRP CB C 14 29.919 31.585 -1.666 1
1 58 . 4 1 1 A 14 14 TRP N N 14 125.363 125.034 0.329 1
1 60 . 4 1 1 A 15 15 ARG H H 15 8.790 9.215 -0.425 1
1 61 . 4 1 1 A 15 15 ARG HA H 15 4.436 4.425 0.011 1
1 67 . 4 1 1 A 15 15 ARG C C 15 176.254 178.034 -1.780 1
1 68 . 4 1 1 A 15 15 ARG CA C 15 54.848 55.777 -0.929 1
1 69 . 4 1 1 A 15 15 ARG CB C 15 30.217 31.151 -0.934 1
1 72 . 4 1 1 A 15 15 ARG N N 15 124.453 124.038 0.415 1
1 73 . 4 1 1 A 16 16 LYS H H 16 7.990 8.823 -0.833 1
1 74 . 4 1 1 A 16 16 LYS HA H 16 3.949 3.980 -0.031 1
1 81 . 4 1 1 A 16 16 LYS C C 16 179.133 178.560 0.573 1
1 82 . 4 1 1 A 16 16 LYS CA C 16 60.206 59.663 0.543 1
1 83 . 4 1 1 A 16 16 LYS CB C 16 32.102 32.051 0.051 1
1 87 . 4 1 1 A 16 16 LYS N N 16 120.654 123.041 -2.387 1
1 88 . 4 1 1 A 17 17 GLU H H 17 10.775 8.156 2.619 1
1 89 . 4 1 1 A 17 17 GLU HA H 17 4.126 4.028 0.098 1
1 94 . 4 1 1 A 17 17 GLU C C 17 179.581 179.090 0.491 1
1 95 . 4 1 1 A 17 17 GLU CA C 17 60.262 59.433 0.829 1
1 96 . 4 1 1 A 17 17 GLU CB C 17 28.944 29.665 -0.721 1
1 98 . 4 1 1 A 17 17 GLU N N 17 119.914 119.834 0.080 1
1 99 . 4 1 1 A 18 18 CYS H H 18 7.314 8.346 -1.032 1
1 100 . 4 1 1 A 18 18 CYS HA H 18 4.166 4.274 -0.108 1
1 103 . 4 1 1 A 18 18 CYS C C 18 176.250 177.369 -1.119 1
1 104 . 4 1 1 A 18 18 CYS CA C 18 61.093 63.026 -1.933 1
1 105 . 4 1 1 A 18 18 CYS CB C 18 27.636 27.021 0.615 1
1 106 . 4 1 1 A 18 18 CYS N N 18 115.339 118.968 -3.629 1
1 107 . 4 1 1 A 19 19 LEU H H 19 7.975 8.412 -0.437 1
1 108 . 4 1 1 A 19 19 LEU HA H 19 3.365 3.568 -0.203 1
1 118 . 4 1 1 A 19 19 LEU C C 19 178.119 179.163 -1.044 1
1 119 . 4 1 1 A 19 19 LEU CA C 19 58.084 57.566 0.518 1
1 120 . 4 1 1 A 19 19 LEU CB C 19 40.713 41.115 -0.402 1
1 124 . 4 1 1 A 19 19 LEU N N 19 120.346 122.913 -2.567 1
1 125 . 4 1 1 A 20 20 ALA H H 20 7.481 7.520 -0.039 1
1 126 . 4 1 1 A 20 20 ALA HA H 20 4.079 4.035 0.044 1
1 130 . 4 1 1 A 20 20 ALA C C 20 180.800 180.565 0.235 1
1 131 . 4 1 1 A 20 20 ALA CA C 20 55.172 55.022 0.150 1
1 132 . 4 1 1 A 20 20 ALA CB C 20 17.975 18.160 -0.185 1
1 133 . 4 1 1 A 20 20 ALA N N 20 119.101 122.603 -3.502 1
1 134 . 4 1 1 A 21 21 VAL H H 21 6.932 7.358 -0.426 1
1 135 . 4 1 1 A 21 21 VAL HA H 21 3.752 3.439 0.313 1
1 143 . 4 1 1 A 21 21 VAL C C 21 178.850 178.056 0.794 1
1 144 . 4 1 1 A 21 21 VAL CA C 21 66.018 67.466 -1.448 1
1 145 . 4 1 1 A 21 21 VAL CB C 21 32.168 31.528 0.640 1
1 148 . 4 1 1 A 21 21 VAL N N 21 118.965 118.117 0.848 1
1 149 . 4 1 1 A 22 22 MET H H 22 7.925 7.582 0.343 1
1 150 . 4 1 1 A 22 22 MET HA H 22 3.894 4.077 -0.183 1
1 158 . 4 1 1 A 22 22 MET C C 22 177.997 178.594 -0.597 1
1 159 . 4 1 1 A 22 22 MET CA C 22 60.060 58.758 1.302 1
1 160 . 4 1 1 A 22 22 MET CB C 22 30.494 32.013 -1.519 1
1 163 . 4 1 1 A 22 22 MET N N 22 118.668 116.983 1.685 1
1 164 . 4 1 1 A 23 23 GLU H H 23 8.452 7.515 0.937 1
1 165 . 4 1 1 A 23 23 GLU HA H 23 4.048 4.079 -0.031 1
1 170 . 4 1 1 A 23 23 GLU C C 23 178.809 179.221 -0.412 1
1 171 . 4 1 1 A 23 23 GLU CA C 23 59.676 59.103 0.573 1
1 172 . 4 1 1 A 23 23 GLU CB C 23 29.289 29.131 0.158 1
1 174 . 4 1 1 A 23 23 GLU N N 23 118.239 119.140 -0.901 1
1 175 . 4 1 1 A 24 24 SER H H 24 7.431 7.413 0.018 1
1 176 . 4 1 1 A 24 24 SER HA H 24 4.279 4.237 0.042 1
1 179 . 4 1 1 A 24 24 SER C C 24 177.916 177.109 0.807 1
1 180 . 4 1 1 A 24 24 SER CA C 24 61.785 61.556 0.229 1
1 181 . 4 1 1 A 24 24 SER CB C 24 62.616 63.006 -0.390 1
1 182 . 4 1 1 A 24 24 SER N N 24 113.792 116.032 -2.240 1
1 183 . 4 1 1 A 25 25 TYR H H 25 7.845 8.243 -0.398 1
1 184 . 4 1 1 A 25 25 TYR HA H 25 4.354 4.334 0.020 1
1 191 . 4 1 1 A 25 25 TYR C C 25 178.789 178.982 -0.193 1
1 192 . 4 1 1 A 25 25 TYR CA C 25 63.193 60.813 2.380 1
1 193 . 4 1 1 A 25 25 TYR CB C 25 38.706 38.120 0.586 1
1 198 . 4 1 1 A 25 25 TYR N N 25 120.184 119.258 0.926 1
1 199 . 4 1 1 A 26 26 PHE H H 26 9.279 8.478 0.801 1
1 200 . 4 1 1 A 26 26 PHE HA H 26 4.237 4.793 -0.556 1
1 208 . 4 1 1 A 26 26 PHE C C 26 175.885 178.094 -2.209 1
1 209 . 4 1 1 A 26 26 PHE CA C 26 62.008 61.681 0.327 1
1 210 . 4 1 1 A 26 26 PHE CB C 26 39.072 39.024 0.048 1
1 216 . 4 1 1 A 26 26 PHE N N 26 123.634 120.578 3.056 1
1 217 . 4 1 1 A 27 27 ASN H H 27 7.807 8.026 -0.219 1
1 218 . 4 1 1 A 27 27 ASN HA H 27 4.409 4.530 -0.121 1
1 223 . 4 1 1 A 27 27 ASN C C 27 176.108 177.417 -1.309 1
1 224 . 4 1 1 A 27 27 ASN CA C 27 55.307 56.507 -1.200 1
1 225 . 4 1 1 A 27 27 ASN CB C 27 38.810 37.937 0.873 1
1 226 . 4 1 1 A 27 27 ASN N N 27 112.896 117.418 -4.522 1
1 228 . 4 1 1 A 28 28 GLU H H 28 7.431 7.947 -0.516 1
1 229 . 4 1 1 A 28 28 GLU HA H 28 4.274 4.288 -0.014 1
1 234 . 4 1 1 A 28 28 GLU C C 28 176.880 176.417 0.463 1
1 235 . 4 1 1 A 28 28 GLU CA C 28 57.875 58.035 -0.160 1
1 236 . 4 1 1 A 28 28 GLU CB C 28 30.965 29.616 1.349 1
1 238 . 4 1 1 A 28 28 GLU N N 28 117.899 114.772 3.127 1
1 239 . 4 1 1 A 29 29 ASN H H 29 7.950 8.250 -0.300 1
1 240 . 4 1 1 A 29 29 ASN HA H 29 4.562 4.986 -0.424 1
1 245 . 4 1 1 A 29 29 ASN C C 29 174.036 175.132 -1.096 1
1 246 . 4 1 1 A 29 29 ASN CA C 29 53.654 52.873 0.781 1
1 247 . 4 1 1 A 29 29 ASN CB C 29 39.361 40.699 -1.338 1
1 248 . 4 1 1 A 29 29 ASN N N 29 116.656 117.404 -0.748 1
1 250 . 4 1 1 A 30 30 GLN H H 30 8.658 8.384 0.274 1
1 251 . 4 1 1 A 30 30 GLN HA H 30 3.848 3.233 0.615 1
1 258 . 4 1 1 A 30 30 GLN C C 30 174.503 175.602 -1.099 1
1 259 . 4 1 1 A 30 30 GLN CA C 30 57.336 58.190 -0.854 1
1 260 . 4 1 1 A 30 30 GLN CB C 30 27.978 29.146 -1.168 1
1 262 . 4 1 1 A 30 30 GLN N N 30 122.486 123.381 -0.895 1
1 264 . 4 1 1 A 31 31 TYR H H 31 8.181 7.800 0.381 1
1 265 . 4 1 1 A 31 31 TYR HA H 31 4.769 5.152 -0.383 1
1 272 . 4 1 1 A 31 31 TYR C C 31 172.816 173.131 -0.315 1
1 273 . 4 1 1 A 31 31 TYR CA C 31 55.409 54.221 1.188 1
1 274 . 4 1 1 A 31 31 TYR CB C 31 38.938 38.903 0.035 1
1 279 . 4 1 1 A 31 31 TYR N N 31 116.012 117.094 -1.082 1
1 280 . 4 1 1 A 32 32 PRO HA H 32 4.320 4.541 -0.221 1
1 287 . 4 1 1 A 32 32 PRO C C 32 177.530 177.007 0.523 1
1 288 . 4 1 1 A 32 32 PRO CA C 32 63.041 62.826 0.215 1
1 289 . 4 1 1 A 32 32 PRO CB C 32 31.052 32.081 -1.029 1
1 292 . 4 1 1 A 33 33 ASP H H 33 8.439 8.396 0.043 1
1 293 . 4 1 1 A 33 33 ASP HA H 33 4.475 4.686 -0.211 1
1 296 . 4 1 1 A 33 33 ASP C C 33 175.397 177.542 -2.145 1
1 297 . 4 1 1 A 33 33 ASP CA C 33 52.562 53.965 -1.403 1
1 298 . 4 1 1 A 33 33 ASP CB C 33 40.363 42.041 -1.678 1
1 299 . 4 1 1 A 33 33 ASP N N 33 125.278 122.052 3.226 1
1 300 . 4 1 1 A 34 34 GLU H H 34 8.644 8.966 -0.322 1
1 301 . 4 1 1 A 34 34 GLU HA H 34 3.613 3.893 -0.280 1
1 306 . 4 1 1 A 34 34 GLU C C 34 178.261 178.234 0.027 1
1 307 . 4 1 1 A 34 34 GLU CA C 34 61.565 59.464 2.101 1
1 308 . 4 1 1 A 34 34 GLU CB C 34 29.289 29.266 0.023 1
1 310 . 4 1 1 A 34 34 GLU N N 34 118.756 122.831 -4.075 1
1 311 . 4 1 1 A 35 35 ALA H H 35 8.121 8.185 -0.064 1
1 312 . 4 1 1 A 35 35 ALA HA H 35 4.155 4.004 0.151 1
1 316 . 4 1 1 A 35 35 ALA C C 35 181.307 179.401 1.906 1
1 317 . 4 1 1 A 35 35 ALA CA C 35 54.953 55.403 -0.450 1
1 318 . 4 1 1 A 35 35 ALA CB C 35 17.975 18.224 -0.249 1
1 319 . 4 1 1 A 35 35 ALA N N 35 121.196 121.733 -0.537 1
1 320 . 4 1 1 A 36 36 LYS H H 36 8.448 7.835 0.613 1
1 321 . 4 1 1 A 36 36 LYS HA H 36 4.157 4.030 0.127 1
1 330 . 4 1 1 A 36 36 LYS C C 36 178.769 178.472 0.297 1
1 331 . 4 1 1 A 36 36 LYS CA C 36 56.576 59.612 -3.036 1
1 332 . 4 1 1 A 36 36 LYS CB C 36 29.689 32.261 -2.572 1
1 336 . 4 1 1 A 36 36 LYS N N 36 121.690 118.584 3.106 1
1 337 . 4 1 1 A 37 37 ARG H H 37 8.977 8.114 0.863 1
1 338 . 4 1 1 A 37 37 ARG HA H 37 3.711 3.856 -0.145 1
1 345 . 4 1 1 A 37 37 ARG C C 37 178.444 178.936 -0.492 1
1 346 . 4 1 1 A 37 37 ARG CA C 37 61.131 59.492 1.639 1
1 347 . 4 1 1 A 37 37 ARG CB C 37 30.941 29.813 1.128 1
1 350 . 4 1 1 A 37 37 ARG N N 37 117.588 118.891 -1.303 1
1 351 . 4 1 1 A 38 38 GLU H H 38 7.750 7.977 -0.227 1
1 352 . 4 1 1 A 38 38 GLU HA H 38 4.083 4.139 -0.056 1
1 357 . 4 1 1 A 38 38 GLU C C 38 178.301 179.539 -1.238 1
1 358 . 4 1 1 A 38 38 GLU CA C 38 59.321 58.208 1.113 1
1 359 . 4 1 1 A 38 38 GLU CB C 38 29.013 29.494 -0.481 1
1 361 . 4 1 1 A 38 38 GLU N N 38 119.080 119.624 -0.544 1
1 362 . 4 1 1 A 39 39 GLU H H 39 7.540 7.765 -0.225 1
1 363 . 4 1 1 A 39 39 GLU HA H 39 4.048 4.098 -0.050 1
1 368 . 4 1 1 A 39 39 GLU C C 39 179.784 178.772 1.012 1
1 369 . 4 1 1 A 39 39 GLU CA C 39 59.646 59.016 0.630 1
1 370 . 4 1 1 A 39 39 GLU CB C 39 29.409 29.703 -0.294 1
1 372 . 4 1 1 A 39 39 GLU N N 39 121.188 119.434 1.754 1
1 373 . 4 1 1 A 40 40 ILE H H 40 8.634 7.796 0.838 1
1 374 . 4 1 1 A 40 40 ILE HA H 40 3.133 3.281 -0.148 1
1 384 . 4 1 1 A 40 40 ILE C C 40 178.119 177.695 0.424 1
1 385 . 4 1 1 A 40 40 ILE CA C 40 65.462 62.713 2.749 1
1 386 . 4 1 1 A 40 40 ILE CB C 40 37.951 36.822 1.129 1
1 390 . 4 1 1 A 40 40 ILE N N 40 121.126 120.093 1.033 1
1 391 . 4 1 1 A 41 41 ALA H H 41 8.462 7.873 0.589 1
1 392 . 4 1 1 A 41 41 ALA HA H 41 3.713 3.971 -0.258 1
1 396 . 4 1 1 A 41 41 ALA C C 41 178.850 179.944 -1.094 1
1 397 . 4 1 1 A 41 41 ALA CA C 41 56.014 55.362 0.652 1
1 398 . 4 1 1 A 41 41 ALA CB C 41 16.779 18.210 -1.431 1
1 399 . 4 1 1 A 41 41 ALA N N 41 123.029 123.751 -0.722 1
1 400 . 4 1 1 A 42 42 ASN H H 42 8.264 8.584 -0.320 1
1 401 . 4 1 1 A 42 42 ASN HA H 42 4.521 4.460 0.061 1
1 406 . 4 1 1 A 42 42 ASN C C 42 178.220 177.708 0.512 1
1 407 . 4 1 1 A 42 42 ASN CA C 42 56.193 55.896 0.297 1
1 408 . 4 1 1 A 42 42 ASN CB C 42 37.775 37.777 -0.002 1
1 409 . 4 1 1 A 42 42 ASN N N 42 115.462 117.700 -2.238 1
1 411 . 4 1 1 A 43 43 ALA H H 43 8.403 7.609 0.794 1
1 412 . 4 1 1 A 43 43 ALA HA H 43 4.273 4.112 0.161 1
1 416 . 4 1 1 A 43 43 ALA C C 43 180.962 180.183 0.779 1
1 417 . 4 1 1 A 43 43 ALA CA C 43 55.200 54.976 0.224 1
1 418 . 4 1 1 A 43 43 ALA CB C 43 18.478 18.044 0.434 1
1 419 . 4 1 1 A 43 43 ALA N N 43 125.139 122.155 2.984 1
1 420 . 4 1 1 A 44 44 CYS H H 44 8.457 7.641 0.816 1
1 421 . 4 1 1 A 44 44 CYS HA H 44 4.156 4.163 -0.007 1
1 424 . 4 1 1 A 44 44 CYS C C 44 176.534 177.122 -0.588 1
1 425 . 4 1 1 A 44 44 CYS CA C 44 64.768 63.428 1.340 1
1 426 . 4 1 1 A 44 44 CYS CB C 44 27.644 27.045 0.599 1
1 427 . 4 1 1 A 44 44 CYS N N 44 116.609 115.933 0.676 1
1 428 . 4 1 1 A 45 45 ASN H H 45 8.346 7.887 0.459 1
1 429 . 4 1 1 A 45 45 ASN HA H 45 4.613 4.515 0.098 1
1 434 . 4 1 1 A 45 45 ASN C C 45 177.631 177.751 -0.120 1
1 435 . 4 1 1 A 45 45 ASN CA C 45 55.723 56.119 -0.396 1
1 436 . 4 1 1 A 45 45 ASN CB C 45 37.526 38.008 -0.482 1
1 437 . 4 1 1 A 45 45 ASN N N 45 117.491 118.798 -1.307 1
1 439 . 4 1 1 A 46 46 ALA H H 46 8.014 7.575 0.439 1
1 440 . 4 1 1 A 46 46 ALA HA H 46 4.200 4.084 0.116 1
1 444 . 4 1 1 A 46 46 ALA C C 46 180.292 179.731 0.561 1
1 445 . 4 1 1 A 46 46 ALA CA C 46 54.805 55.086 -0.281 1
1 446 . 4 1 1 A 46 46 ALA CB C 46 18.283 18.345 -0.062 1
1 447 . 4 1 1 A 46 46 ALA N N 46 120.198 123.441 -3.243 1
1 448 . 4 1 1 A 47 47 VAL H H 47 7.240 7.934 -0.694 1
1 449 . 4 1 1 A 47 47 VAL HA H 47 4.306 3.788 0.518 1
1 457 . 4 1 1 A 47 47 VAL C C 47 177.083 177.529 -0.446 1
1 458 . 4 1 1 A 47 47 VAL CA C 47 63.484 65.563 -2.079 1
1 459 . 4 1 1 A 47 47 VAL CB C 47 31.935 31.465 0.470 1
1 462 . 4 1 1 A 47 47 VAL N N 47 110.165 116.478 -6.313 1
1 463 . 4 1 1 A 48 48 ILE H H 48 7.146 7.412 -0.266 1
1 464 . 4 1 1 A 48 48 ILE HA H 48 4.473 4.178 0.295 1
1 474 . 4 1 1 A 48 48 ILE C C 48 175.966 176.118 -0.152 1
1 475 . 4 1 1 A 48 48 ILE CA C 48 62.055 63.456 -1.401 1
1 476 . 4 1 1 A 48 48 ILE CB C 48 39.444 38.154 1.290 1
1 480 . 4 1 1 A 48 48 ILE N N 48 112.085 116.878 -4.793 1
1 481 . 4 1 1 A 49 49 GLN H H 49 7.671 8.070 -0.399 1
1 482 . 4 1 1 A 49 49 GLN HA H 49 4.254 4.101 0.153 1
1 489 . 4 1 1 A 49 49 GLN C C 49 175.417 175.310 0.107 1
1 490 . 4 1 1 A 49 49 GLN CA C 49 56.370 56.325 0.045 1
1 491 . 4 1 1 A 49 49 GLN CB C 49 29.289 29.127 0.162 1
1 493 . 4 1 1 A 49 49 GLN N N 49 123.076 123.537 -0.461 1
1 495 . 4 1 1 A 50 50 LYS H H 50 8.932 8.568 0.364 1
1 496 . 4 1 1 A 50 50 LYS HA H 50 4.760 4.752 0.008 1
1 502 . 4 1 1 A 50 50 LYS C C 50 174.497 174.051 0.446 1
1 503 . 4 1 1 A 50 50 LYS CA C 50 53.341 53.005 0.336 1
1 504 . 4 1 1 A 50 50 LYS CB C 50 32.860 33.559 -0.699 1
1 506 . 4 1 1 A 50 50 LYS N N 50 127.505 126.558 0.947 1
1 507 . 4 1 1 A 51 51 PRO HA H 51 4.328 4.303 0.025 1
1 514 . 4 1 1 A 51 51 PRO CA C 51 64.015 63.730 0.285 1
1 515 . 4 1 1 A 51 51 PRO CB C 51 31.590 31.285 0.305 1
1 518 . 4 1 1 A 52 52 GLY H H 52 8.752 8.763 -0.011 1
1 519 . 4 1 1 A 52 52 GLY HA2 H 52 4.113 3.947 0.166 1
1 520 . 4 1 1 A 52 52 GLY HA3 H 52 3.728 3.947 -0.219 1
1 521 . 4 1 1 A 52 52 GLY C C 52 173.732 173.455 0.277 1
1 522 . 4 1 1 A 52 52 GLY CA C 52 45.646 45.699 -0.053 1
1 523 . 4 1 1 A 53 53 LYS H H 53 7.734 7.610 0.124 1
1 524 . 4 1 1 A 53 53 LYS HA H 53 4.621 4.840 -0.219 1
1 531 . 4 1 1 A 53 53 LYS C C 53 175.681 174.563 1.118 1
1 532 . 4 1 1 A 53 53 LYS CA C 53 54.451 54.095 0.356 1
1 533 . 4 1 1 A 53 53 LYS CB C 53 34.466 35.357 -0.891 1
1 537 . 4 1 1 A 53 53 LYS N N 53 120.205 119.960 0.245 1
1 538 . 4 1 1 A 54 54 LYS H H 54 8.536 8.794 -0.258 1
1 539 . 4 1 1 A 54 54 LYS HA H 54 4.412 5.018 -0.606 1
1 546 . 4 1 1 A 54 54 LYS C C 54 177.022 175.945 1.077 1
1 547 . 4 1 1 A 54 54 LYS CA C 54 55.691 54.444 1.247 1
1 548 . 4 1 1 A 54 54 LYS CB C 54 33.453 35.210 -1.757 1
1 552 . 4 1 1 A 54 54 LYS N N 54 124.424 123.728 0.696 1
1 553 . 4 1 1 A 55 55 LEU H H 55 8.656 8.792 -0.136 1
1 554 . 4 1 1 A 55 55 LEU HA H 55 4.407 4.323 0.084 1
1 564 . 4 1 1 A 55 55 LEU C C 55 177.448 176.556 0.892 1
1 565 . 4 1 1 A 55 55 LEU CA C 55 54.670 55.131 -0.461 1
1 566 . 4 1 1 A 55 55 LEU CB C 55 43.243 42.379 0.864 1
1 570 . 4 1 1 A 55 55 LEU N N 55 126.145 127.829 -1.684 1
1 571 . 4 1 1 A 56 56 SER H H 56 9.313 8.815 0.498 1
1 572 . 4 1 1 A 56 56 SER HA H 56 4.496 4.761 -0.265 1
1 575 . 4 1 1 A 56 56 SER C C 56 175.226 174.936 0.290 1
1 576 . 4 1 1 A 56 56 SER CA C 56 57.507 57.124 0.383 1
1 577 . 4 1 1 A 56 56 SER CB C 56 64.802 65.741 -0.939 1
1 578 . 4 1 1 A 56 56 SER N N 56 121.790 116.724 5.066 1
1 579 . 4 1 1 A 57 57 ASP H H 57 8.929 9.129 -0.200 1
1 580 . 4 1 1 A 57 57 ASP HA H 57 4.314 4.271 0.043 1
1 583 . 4 1 1 A 57 57 ASP C C 57 177.855 178.582 -0.727 1
1 584 . 4 1 1 A 57 57 ASP CA C 57 57.403 56.702 0.701 1
1 585 . 4 1 1 A 57 57 ASP CB C 57 40.353 39.812 0.541 1
1 586 . 4 1 1 A 58 58 LEU H H 58 7.824 7.970 -0.146 1
1 587 . 4 1 1 A 58 58 LEU HA H 58 4.194 4.053 0.141 1
1 597 . 4 1 1 A 58 58 LEU C C 58 177.509 178.276 -0.767 1
1 598 . 4 1 1 A 58 58 LEU CA C 58 56.754 57.911 -1.157 1
1 599 . 4 1 1 A 58 58 LEU CB C 58 42.259 41.466 0.793 1
1 603 . 4 1 1 A 58 58 LEU N N 58 117.552 120.686 -3.134 1
1 604 . 4 1 1 A 59 59 GLU H H 59 7.325 7.489 -0.164 1
1 605 . 4 1 1 A 59 59 GLU HA H 59 4.286 4.459 -0.173 1
1 610 . 4 1 1 A 59 59 GLU C C 59 175.661 176.411 -0.750 1
1 611 . 4 1 1 A 59 59 GLU CA C 59 56.370 56.292 0.078 1
1 612 . 4 1 1 A 59 59 GLU CB C 59 32.314 30.482 1.832 1
1 614 . 4 1 1 A 59 59 GLU N N 59 115.631 116.667 -1.036 1
1 615 . 4 1 1 A 60 60 ARG H H 60 7.408 7.977 -0.569 1
1 616 . 4 1 1 A 60 60 ARG HA H 60 3.948 4.530 -0.582 1
1 623 . 4 1 1 A 60 60 ARG C C 60 175.194 175.415 -0.221 1
1 624 . 4 1 1 A 60 60 ARG CA C 60 57.167 56.435 0.732 1
1 625 . 4 1 1 A 60 60 ARG CB C 60 31.083 30.767 0.316 1
1 628 . 4 1 1 A 60 60 ARG N N 60 118.018 122.617 -4.599 1
1 629 . 4 1 1 A 61 61 VAL H H 61 10.175 8.808 1.367 1
1 630 . 4 1 1 A 61 61 VAL HA H 61 3.462 4.411 -0.949 1
1 638 . 4 1 1 A 61 61 VAL C C 61 175.681 176.206 -0.525 1
1 639 . 4 1 1 A 61 61 VAL CA C 61 65.077 61.578 3.499 1
1 640 . 4 1 1 A 61 61 VAL CB C 61 31.702 31.801 -0.099 1
1 643 . 4 1 1 A 61 61 VAL N N 61 128.658 126.787 1.871 1
1 644 . 4 1 1 A 62 62 THR H H 62 6.270 8.743 -2.473 1
1 645 . 4 1 1 A 62 62 THR HA H 62 4.780 4.739 0.041 1
1 650 . 4 1 1 A 62 62 THR C C 62 175.064 176.368 -1.304 1
1 651 . 4 1 1 A 62 62 THR CA C 62 58.600 60.410 -1.810 1
1 652 . 4 1 1 A 62 62 THR CB C 62 72.355 71.259 1.096 1
1 654 . 4 1 1 A 62 62 THR N N 62 114.178 120.966 -6.788 1
1 655 . 4 1 1 A 63 63 SER HA H 63 3.869 4.122 -0.253 1
1 658 . 4 1 1 A 63 63 SER C C 63 176.656 176.808 -0.152 1
1 659 . 4 1 1 A 63 63 SER CA C 63 61.433 61.744 -0.311 1
1 660 . 4 1 1 A 63 63 SER CB C 63 62.197 62.442 -0.245 1
1 661 . 4 1 1 A 64 64 LEU H H 64 8.062 8.141 -0.079 1
1 662 . 4 1 1 A 64 64 LEU HA H 64 4.367 4.211 0.156 1
1 672 . 4 1 1 A 64 64 LEU C C 64 178.789 179.154 -0.365 1
1 673 . 4 1 1 A 64 64 LEU CA C 64 57.964 57.653 0.311 1
1 674 . 4 1 1 A 64 64 LEU CB C 64 42.052 41.622 0.430 1
1 678 . 4 1 1 A 64 64 LEU N N 64 123.294 126.268 -2.974 1
1 679 . 4 1 1 A 65 65 LYS H H 65 7.524 7.784 -0.260 1
1 680 . 4 1 1 A 65 65 LYS HA H 65 4.292 4.063 0.229 1
1 689 . 4 1 1 A 65 65 LYS C C 65 180.779 179.581 1.198 1
1 690 . 4 1 1 A 65 65 LYS CA C 65 60.266 59.577 0.689 1
1 691 . 4 1 1 A 65 65 LYS CB C 65 32.808 32.454 0.354 1
1 695 . 4 1 1 A 65 65 LYS N N 65 119.262 119.088 0.174 1
1 696 . 4 1 1 A 66 66 VAL H H 66 8.290 7.728 0.562 1
1 697 . 4 1 1 A 66 66 VAL HA H 66 4.075 3.878 0.197 1
1 705 . 4 1 1 A 66 66 VAL C C 66 177.509 177.871 -0.362 1
1 706 . 4 1 1 A 66 66 VAL CA C 66 66.963 66.560 0.403 1
1 707 . 4 1 1 A 66 66 VAL CB C 66 32.419 31.634 0.785 1
1 710 . 4 1 1 A 66 66 VAL N N 66 119.900 120.321 -0.421 1
1 711 . 4 1 1 A 67 67 TYR H H 67 8.893 8.121 0.772 1
1 712 . 4 1 1 A 67 67 TYR HA H 67 3.857 4.176 -0.319 1
1 719 . 4 1 1 A 67 67 TYR C C 67 177.956 178.133 -0.177 1
1 720 . 4 1 1 A 67 67 TYR CA C 67 62.897 61.626 1.271 1
1 721 . 4 1 1 A 67 67 TYR CB C 67 38.326 38.661 -0.335 1
1 726 . 4 1 1 A 67 67 TYR N N 67 120.861 121.284 -0.423 1
1 727 . 4 1 1 A 68 68 ASN H H 68 8.561 8.102 0.459 1
1 728 . 4 1 1 A 68 68 ASN HA H 68 4.545 4.451 0.094 1
1 733 . 4 1 1 A 68 68 ASN C C 68 177.570 178.315 -0.745 1
1 734 . 4 1 1 A 68 68 ASN CA C 68 56.222 56.634 -0.412 1
1 735 . 4 1 1 A 68 68 ASN CB C 68 38.465 38.375 0.090 1
1 736 . 4 1 1 A 68 68 ASN N N 68 117.386 117.137 0.249 1
1 738 . 4 1 1 A 69 69 TRP H H 69 8.655 8.232 0.423 1
1 739 . 4 1 1 A 69 69 TRP HA H 69 4.151 4.412 -0.261 1
1 748 . 4 1 1 A 69 69 TRP C C 69 179.764 178.313 1.451 1
1 749 . 4 1 1 A 69 69 TRP CA C 69 63.194 61.485 1.709 1
1 750 . 4 1 1 A 69 69 TRP CB C 69 29.720 29.550 0.170 1
1 756 . 4 1 1 A 69 69 TRP N N 69 123.454 122.758 0.696 1
1 758 . 4 1 1 A 70 70 PHE H H 70 9.166 8.578 0.588 1
1 759 . 4 1 1 A 70 70 PHE HA H 70 3.745 4.478 -0.733 1
1 767 . 4 1 1 A 70 70 PHE C C 70 177.469 178.477 -1.008 1
1 768 . 4 1 1 A 70 70 PHE CA C 70 62.862 61.619 1.243 1
1 769 . 4 1 1 A 70 70 PHE CB C 70 39.115 38.307 0.808 1
1 775 . 4 1 1 A 70 70 PHE N N 70 120.259 118.365 1.894 1
1 776 . 4 1 1 A 71 71 ALA H H 71 8.169 8.460 -0.291 1
1 777 . 4 1 1 A 71 71 ALA HA H 71 3.868 3.931 -0.063 1
1 781 . 4 1 1 A 71 71 ALA C C 71 180.698 179.328 1.370 1
1 782 . 4 1 1 A 71 71 ALA CA C 71 55.307 55.167 0.140 1
1 783 . 4 1 1 A 71 71 ALA CB C 71 17.697 17.966 -0.269 1
1 784 . 4 1 1 A 71 71 ALA N N 71 120.051 122.403 -2.352 1
1 785 . 4 1 1 A 72 72 ASN H H 72 7.789 8.181 -0.392 1
1 786 . 4 1 1 A 72 72 ASN HA H 72 4.280 4.386 -0.106 1
1 791 . 4 1 1 A 72 72 ASN C C 72 177.022 177.647 -0.625 1
1 792 . 4 1 1 A 72 72 ASN CA C 72 56.222 56.160 0.062 1
1 793 . 4 1 1 A 72 72 ASN CB C 72 38.363 38.891 -0.528 1
1 794 . 4 1 1 A 72 72 ASN N N 72 116.515 115.653 0.862 1
1 796 . 4 1 1 A 73 73 ARG H H 73 7.999 7.909 0.090 1
1 797 . 4 1 1 A 73 73 ARG HA H 73 3.416 3.645 -0.229 1
1 805 . 4 1 1 A 73 73 ARG C C 73 178.708 178.691 0.017 1
1 806 . 4 1 1 A 73 73 ARG CA C 73 57.403 59.065 -1.662 1
1 807 . 4 1 1 A 73 73 ARG CB C 73 28.264 29.238 -0.974 1
1 810 . 4 1 1 A 73 73 ARG N N 73 123.203 119.606 3.597 1
1 812 . 4 1 1 A 74 74 ARG H H 74 8.033 8.080 -0.047 1
1 813 . 4 1 1 A 74 74 ARG HA H 74 4.017 4.012 0.005 1
1 820 . 4 1 1 A 74 74 ARG C C 74 178.850 179.046 -0.196 1
1 821 . 4 1 1 A 74 74 ARG CA C 74 60.414 59.785 0.629 1
1 822 . 4 1 1 A 74 74 ARG CB C 74 31.221 30.062 1.159 1
1 825 . 4 1 1 A 74 74 ARG N N 74 116.187 118.966 -2.779 1
1 826 . 4 1 1 A 75 75 LYS H H 75 7.359 8.076 -0.717 1
1 827 . 4 1 1 A 75 75 LYS HA H 75 4.054 4.029 0.025 1
1 834 . 4 1 1 A 75 75 LYS C C 75 178.301 178.713 -0.412 1
1 835 . 4 1 1 A 75 75 LYS CA C 75 58.908 59.171 -0.263 1
1 836 . 4 1 1 A 75 75 LYS CB C 75 32.463 31.855 0.608 1
1 840 . 4 1 1 A 75 75 LYS N N 75 118.329 118.474 -0.145 1
1 841 . 4 1 1 A 76 76 GLU H H 76 7.769 7.456 0.313 1
1 842 . 4 1 1 A 76 76 GLU HA H 76 4.051 4.029 0.022 1
1 847 . 4 1 1 A 76 76 GLU C C 76 178.261 179.018 -0.757 1
1 848 . 4 1 1 A 76 76 GLU CA C 76 58.200 58.893 -0.693 1
1 849 . 4 1 1 A 76 76 GLU CB C 76 29.841 29.354 0.487 1
1 851 . 4 1 1 A 76 76 GLU N N 76 119.947 118.757 1.190 1
1 852 . 4 1 1 A 77 77 ILE H H 77 7.826 8.098 -0.272 1
1 853 . 4 1 1 A 77 77 ILE HA H 77 3.856 3.743 0.113 1
1 863 . 4 1 1 A 77 77 ILE C C 77 177.794 177.995 -0.201 1
1 864 . 4 1 1 A 77 77 ILE CA C 77 63.454 64.106 -0.652 1
1 865 . 4 1 1 A 77 77 ILE CB C 77 38.016 37.409 0.607 1
1 869 . 4 1 1 A 77 77 ILE N N 77 119.278 119.566 -0.288 1
1 870 . 4 1 1 A 78 78 LYS H H 78 7.802 8.311 -0.509 1
1 871 . 4 1 1 A 78 78 LYS HA H 78 4.196 3.909 0.287 1
1 878 . 4 1 1 A 78 78 LYS C C 78 177.591 178.922 -1.331 1
1 879 . 4 1 1 A 78 78 LYS CA C 78 57.728 59.034 -1.306 1
1 880 . 4 1 1 A 78 78 LYS CB C 78 32.601 32.041 0.560 1
1 884 . 4 1 1 A 78 78 LYS N N 78 122.041 121.506 0.535 1
1 885 . 4 1 1 A 79 79 ARG H H 79 8.053 7.823 0.230 1
1 886 . 4 1 1 A 79 79 ARG HA H 79 4.196 4.121 0.075 1
1 891 . 4 1 1 A 79 79 ARG C C 79 177.448 179.479 -2.031 1
1 892 . 4 1 1 A 79 79 ARG CA C 79 57.639 59.299 -1.660 1
1 893 . 4 1 1 A 79 79 ARG CB C 79 30.531 29.897 0.634 1
1 896 . 4 1 1 A 79 79 ARG N N 79 120.496 118.576 1.920 1
1 897 . 4 1 1 A 80 80 ARG H H 80 8.083 7.873 0.210 1
1 898 . 4 1 1 A 80 80 ARG HA H 80 4.193 4.073 0.120 1
1 904 . 4 1 1 A 80 80 ARG C C 80 176.786 178.196 -1.410 1
1 905 . 4 1 1 A 80 80 ARG CA C 80 57.196 58.659 -1.463 1
1 906 . 4 1 1 A 80 80 ARG CB C 80 30.531 29.828 0.703 1
1 909 . 4 1 1 A 80 80 ARG N N 80 120.092 120.038 0.054 1
1 910 . 4 1 1 A 81 81 ALA H H 81 8.062 7.907 0.155 1
1 911 . 4 1 1 A 81 81 ALA HA H 81 4.256 4.101 0.155 1
1 915 . 4 1 1 A 81 81 ALA C C 81 178.013 179.244 -1.231 1
1 916 . 4 1 1 A 81 81 ALA CA C 81 53.141 53.586 -0.445 1
1 917 . 4 1 1 A 81 81 ALA CB C 81 19.003 18.877 0.126 1
1 918 . 4 1 1 A 81 81 ALA N N 81 123.434 122.199 1.235 1
1 919 . 4 1 1 A 82 82 ASN H H 82 8.219 8.301 -0.082 1
1 920 . 4 1 1 A 82 82 ASN HA H 82 4.661 4.400 0.261 1
1 925 . 4 1 1 A 82 82 ASN C C 82 175.620 175.059 0.561 1
1 926 . 4 1 1 A 82 82 ASN CA C 82 53.686 56.386 -2.700 1
1 927 . 4 1 1 A 82 82 ASN CB C 82 38.672 38.899 -0.227 1
1 928 . 4 1 1 A 82 82 ASN N N 82 117.551 117.103 0.448 1
1 930 . 4 1 1 A 83 83 ILE H H 83 7.949 7.825 0.124 1
1 931 . 4 1 1 A 83 83 ILE HA H 83 4.077 3.741 0.336 1
1 941 . 4 1 1 A 83 83 ILE C C 83 176.291 175.836 0.455 1
1 942 . 4 1 1 A 83 83 ILE CA C 83 61.695 62.553 -0.858 1
1 943 . 4 1 1 A 83 83 ILE CB C 83 38.672 36.295 2.377 1
1 947 . 4 1 1 A 83 83 ILE N N 83 120.666 119.625 1.041 1
1 948 . 4 1 1 A 84 84 ALA H H 84 8.184 8.104 0.080 1
1 949 . 4 1 1 A 84 84 ALA HA H 84 4.262 4.356 -0.094 1
1 953 . 4 1 1 A 84 84 ALA C C 84 177.794 176.431 1.363 1
1 954 . 4 1 1 A 84 84 ALA CA C 84 53.005 52.472 0.533 1
1 955 . 4 1 1 A 84 84 ALA CB C 84 18.941 19.751 -0.810 1
1 956 . 4 1 1 A 84 84 ALA N N 84 126.306 121.641 4.665 1
1 957 . 4 1 1 A 85 85 ALA H H 85 8.019 7.783 0.236 1
1 958 . 4 1 1 A 85 85 ALA HA H 85 4.263 4.610 -0.347 1
1 962 . 4 1 1 A 85 85 ALA C C 85 178.143 178.271 -0.128 1
1 963 . 4 1 1 A 85 85 ALA CA C 85 52.857 50.579 2.278 1
1 964 . 4 1 1 A 85 85 ALA CB C 85 19.170 20.260 -1.090 1
1 965 . 4 1 1 A 85 85 ALA N N 85 122.320 120.462 1.858 1
1 966 . 4 1 1 A 86 86 ILE H H 86 7.959 8.691 -0.732 1
1 967 . 4 1 1 A 86 86 ILE HA H 86 4.077 3.802 0.275 1
1 977 . 4 1 1 A 86 86 ILE C C 86 176.697 176.956 -0.259 1
1 978 . 4 1 1 A 86 86 ILE CA C 86 61.654 63.824 -2.170 1
1 979 . 4 1 1 A 86 86 ILE CB C 86 38.603 37.618 0.985 1
1 983 . 4 1 1 A 86 86 ILE N N 86 119.762 121.248 -1.486 1
1 984 . 4 1 1 A 87 87 LEU H H 87 8.219 7.499 0.720 1
1 985 . 4 1 1 A 87 87 LEU HA H 87 4.340 4.126 0.214 1
1 995 . 4 1 1 A 87 87 LEU C C 87 177.616 176.264 1.352 1
1 996 . 4 1 1 A 87 87 LEU CA C 87 55.425 55.880 -0.455 1
1 997 . 4 1 1 A 87 87 LEU CB C 87 42.328 42.344 -0.016 1
1 1001 . 4 1 1 A 87 87 LEU N N 87 125.404 125.374 0.030 1
1 1002 . 4 1 1 A 88 88 GLU H H 88 8.321 8.621 -0.300 1
1 1003 . 4 1 1 A 88 88 GLU HA H 88 4.287 4.710 -0.423 1
1 1008 . 4 1 1 A 88 88 GLU C C 88 176.636 177.159 -0.523 1
1 1009 . 4 1 1 A 88 88 GLU CA C 88 56.872 55.588 1.284 1
1 1010 . 4 1 1 A 88 88 GLU CB C 88 30.186 30.530 -0.344 1
1 1012 . 4 1 1 A 88 88 GLU N N 88 121.673 125.453 -3.780 1
1 1013 . 4 1 1 A 89 89 SER H H 89 8.254 8.937 -0.683 1
1 1014 . 4 1 1 A 89 89 SER HA H 89 4.483 4.655 -0.172 1
1 1017 . 4 1 1 A 89 89 SER C C 89 174.693 173.454 1.239 1
1 1018 . 4 1 1 A 89 89 SER CA C 89 58.395 57.682 0.713 1
1 1019 . 4 1 1 A 89 89 SER CB C 89 64.017 62.882 1.135 1
1 1020 . 4 1 1 A 89 89 SER N N 89 116.276 117.871 -1.595 1
1 1021 . 4 1 1 A 90 90 SER H H 90 8.346 7.623 0.723 1
1 1022 . 4 1 1 A 90 90 SER HA H 90 4.478 5.142 -0.664 1
1 1024 . 4 1 1 A 90 90 SER C C 90 174.564 173.488 1.076 1
1 1025 . 4 1 1 A 90 90 SER CA C 90 58.525 58.012 0.513 1
1 1026 . 4 1 1 A 90 90 SER CB C 90 64.129 66.682 -2.553 1
1 1027 . 4 1 1 A 90 90 SER N N 90 117.689 115.800 1.889 1
1 1028 . 4 1 1 A 91 91 GLY H H 91 8.213 8.809 -0.596 1
1 1029 . 4 1 1 A 91 91 GLY HA2 H 91 4.112 4.107 0.005 1
1 1030 . 4 1 1 A 91 91 GLY HA3 H 91 4.112 4.108 0.004 1
1 1031 . 4 1 1 A 91 91 GLY C C 91 171.803 172.721 -0.918 1
1 1032 . 4 1 1 A 91 91 GLY CA C 91 44.743 44.051 0.692 1
1 1033 . 4 1 1 A 91 91 GLY N N 91 110.570 112.557 -1.987 1
1 1034 . 4 1 1 A 92 92 PRO HA H 92 4.530 4.685 -0.155 1
1 1035 . 4 1 1 A 93 93 SER HA H 93 4.498 4.867 -0.369 1
1 1037 . 4 1 1 A 93 93 SER C C 93 173.981 173.445 0.536 1
1 1038 . 4 1 1 A 93 93 SER CA C 93 57.378 57.647 -0.269 1
1 1039 . 4 1 1 A 93 93 SER CB C 93 58.505 67.400 -8.895 1
1 1040 . 4 1 1 A 94 94 SER H H 94 8.032 8.636 -0.604 1
1 1041 . 4 1 1 A 94 94 SER HA H 94 4.498 4.098 0.400 1
1 1043 . 4 1 1 A 94 94 SER C C 94 173.955 174.961 -1.006 1
1 1044 . 4 1 1 A 94 94 SER CA C 94 58.436 60.521 -2.085 1
1 1045 . 4 1 1 A 94 94 SER CB C 94 64.017 62.895 1.122 1
1 1046 . 4 1 1 A 94 94 SER N N 94 116.327 119.628 -3.301 1
1 1 . 5 1 1 A 11 11 ARG HA H 11 4.442 5.102 -0.660 1
1 6 . 5 1 1 A 11 11 ARG C C 11 175.365 174.804 0.561 1
1 7 . 5 1 1 A 11 11 ARG CA C 11 55.738 54.285 1.453 1
1 8 . 5 1 1 A 11 11 ARG CB C 11 31.419 33.400 -1.981 1
1 11 . 5 1 1 A 12 12 PHE H H 12 8.430 9.026 -0.596 1
1 12 . 5 1 1 A 12 12 PHE HA H 12 4.481 4.616 -0.135 1
1 20 . 5 1 1 A 12 12 PHE C C 12 174.869 174.537 0.332 1
1 21 . 5 1 1 A 12 12 PHE CA C 12 58.525 58.855 -0.330 1
1 22 . 5 1 1 A 12 12 PHE CB C 12 39.955 39.971 -0.016 1
1 28 . 5 1 1 A 12 12 PHE N N 12 123.637 125.978 -2.341 1
1 29 . 5 1 1 A 13 13 THR H H 13 7.543 6.839 0.704 1
1 30 . 5 1 1 A 13 13 THR HA H 13 4.216 4.543 -0.327 1
1 35 . 5 1 1 A 13 13 THR C C 13 172.757 172.436 0.321 1
1 36 . 5 1 1 A 13 13 THR CA C 13 60.703 60.697 0.006 1
1 37 . 5 1 1 A 13 13 THR CB C 13 70.578 72.120 -1.542 1
1 39 . 5 1 1 A 13 13 THR N N 13 122.237 117.516 4.721 1
1 40 . 5 1 1 A 14 14 TRP H H 14 8.427 8.827 -0.400 1
1 41 . 5 1 1 A 14 14 TRP HA H 14 4.195 5.189 -0.994 1
1 50 . 5 1 1 A 14 14 TRP C C 14 177.225 175.790 1.435 1
1 51 . 5 1 1 A 14 14 TRP CA C 14 57.137 55.233 1.904 1
1 52 . 5 1 1 A 14 14 TRP CB C 14 29.919 30.920 -1.001 1
1 58 . 5 1 1 A 14 14 TRP N N 14 125.363 125.356 0.007 1
1 60 . 5 1 1 A 15 15 ARG H H 15 8.790 9.052 -0.262 1
1 61 . 5 1 1 A 15 15 ARG HA H 15 4.436 4.420 0.016 1
1 67 . 5 1 1 A 15 15 ARG C C 15 176.254 177.737 -1.483 1
1 68 . 5 1 1 A 15 15 ARG CA C 15 54.848 56.148 -1.300 1
1 69 . 5 1 1 A 15 15 ARG CB C 15 30.217 31.253 -1.036 1
1 72 . 5 1 1 A 15 15 ARG N N 15 124.453 124.418 0.035 1
1 73 . 5 1 1 A 16 16 LYS H H 16 7.990 9.045 -1.055 1
1 74 . 5 1 1 A 16 16 LYS HA H 16 3.949 3.980 -0.031 1
1 81 . 5 1 1 A 16 16 LYS C C 16 179.133 178.224 0.909 1
1 82 . 5 1 1 A 16 16 LYS CA C 16 60.206 59.386 0.820 1
1 83 . 5 1 1 A 16 16 LYS CB C 16 32.102 32.255 -0.153 1
1 87 . 5 1 1 A 16 16 LYS N N 16 120.654 123.971 -3.317 1
1 88 . 5 1 1 A 17 17 GLU H H 17 10.775 8.174 2.601 1
1 89 . 5 1 1 A 17 17 GLU HA H 17 4.126 4.028 0.098 1
1 94 . 5 1 1 A 17 17 GLU C C 17 179.581 179.010 0.571 1
1 95 . 5 1 1 A 17 17 GLU CA C 17 60.262 59.432 0.830 1
1 96 . 5 1 1 A 17 17 GLU CB C 17 28.944 29.665 -0.721 1
1 98 . 5 1 1 A 17 17 GLU N N 17 119.914 119.016 0.898 1
1 99 . 5 1 1 A 18 18 CYS H H 18 7.314 8.341 -1.027 1
1 100 . 5 1 1 A 18 18 CYS HA H 18 4.166 4.273 -0.107 1
1 103 . 5 1 1 A 18 18 CYS C C 18 176.250 177.435 -1.185 1
1 104 . 5 1 1 A 18 18 CYS CA C 18 61.093 63.021 -1.928 1
1 105 . 5 1 1 A 18 18 CYS CB C 18 27.636 27.039 0.597 1
1 106 . 5 1 1 A 18 18 CYS N N 18 115.339 118.951 -3.612 1
1 107 . 5 1 1 A 19 19 LEU H H 19 7.975 8.168 -0.193 1
1 108 . 5 1 1 A 19 19 LEU HA H 19 3.365 3.590 -0.225 1
1 118 . 5 1 1 A 19 19 LEU C C 19 178.119 178.700 -0.581 1
1 119 . 5 1 1 A 19 19 LEU CA C 19 58.084 57.631 0.453 1
1 120 . 5 1 1 A 19 19 LEU CB C 19 40.713 40.896 -0.183 1
1 124 . 5 1 1 A 19 19 LEU N N 19 120.346 123.089 -2.743 1
1 125 . 5 1 1 A 20 20 ALA H H 20 7.481 8.043 -0.562 1
1 126 . 5 1 1 A 20 20 ALA HA H 20 4.079 3.929 0.150 1
1 130 . 5 1 1 A 20 20 ALA C C 20 180.800 180.263 0.537 1
1 131 . 5 1 1 A 20 20 ALA CA C 20 55.172 55.278 -0.106 1
1 132 . 5 1 1 A 20 20 ALA CB C 20 17.975 17.999 -0.024 1
1 133 . 5 1 1 A 20 20 ALA N N 20 119.101 122.092 -2.991 1
1 134 . 5 1 1 A 21 21 VAL H H 21 6.932 7.327 -0.395 1
1 135 . 5 1 1 A 21 21 VAL HA H 21 3.752 3.495 0.257 1
1 143 . 5 1 1 A 21 21 VAL C C 21 178.850 178.254 0.596 1
1 144 . 5 1 1 A 21 21 VAL CA C 21 66.018 67.298 -1.280 1
1 145 . 5 1 1 A 21 21 VAL CB C 21 32.168 31.494 0.674 1
1 148 . 5 1 1 A 21 21 VAL N N 21 118.965 117.808 1.157 1
1 149 . 5 1 1 A 22 22 MET H H 22 7.925 7.626 0.299 1
1 150 . 5 1 1 A 22 22 MET HA H 22 3.894 4.125 -0.231 1
1 158 . 5 1 1 A 22 22 MET C C 22 177.997 178.886 -0.889 1
1 159 . 5 1 1 A 22 22 MET CA C 22 60.060 58.612 1.448 1
1 160 . 5 1 1 A 22 22 MET CB C 22 30.494 31.748 -1.254 1
1 163 . 5 1 1 A 22 22 MET N N 22 118.668 117.105 1.563 1
1 164 . 5 1 1 A 23 23 GLU H H 23 8.452 7.713 0.739 1
1 165 . 5 1 1 A 23 23 GLU HA H 23 4.048 4.069 -0.021 1
1 170 . 5 1 1 A 23 23 GLU C C 23 178.809 178.910 -0.101 1
1 171 . 5 1 1 A 23 23 GLU CA C 23 59.676 59.189 0.487 1
1 172 . 5 1 1 A 23 23 GLU CB C 23 29.289 29.364 -0.075 1
1 174 . 5 1 1 A 23 23 GLU N N 23 118.239 119.664 -1.425 1
1 175 . 5 1 1 A 24 24 SER H H 24 7.431 7.458 -0.027 1
1 176 . 5 1 1 A 24 24 SER HA H 24 4.279 4.250 0.029 1
1 179 . 5 1 1 A 24 24 SER C C 24 177.916 177.232 0.684 1
1 180 . 5 1 1 A 24 24 SER CA C 24 61.785 61.649 0.136 1
1 181 . 5 1 1 A 24 24 SER CB C 24 62.616 63.217 -0.601 1
1 182 . 5 1 1 A 24 24 SER N N 24 113.792 115.967 -2.175 1
1 183 . 5 1 1 A 25 25 TYR H H 25 7.845 8.309 -0.464 1
1 184 . 5 1 1 A 25 25 TYR HA H 25 4.354 4.343 0.011 1
1 191 . 5 1 1 A 25 25 TYR C C 25 178.789 178.951 -0.162 1
1 192 . 5 1 1 A 25 25 TYR CA C 25 63.193 60.710 2.483 1
1 193 . 5 1 1 A 25 25 TYR CB C 25 38.706 37.712 0.994 1
1 198 . 5 1 1 A 25 25 TYR N N 25 120.184 119.661 0.523 1
1 199 . 5 1 1 A 26 26 PHE H H 26 9.279 8.234 1.045 1
1 200 . 5 1 1 A 26 26 PHE HA H 26 4.237 4.817 -0.580 1
1 208 . 5 1 1 A 26 26 PHE C C 26 175.885 177.959 -2.074 1
1 209 . 5 1 1 A 26 26 PHE CA C 26 62.008 61.485 0.523 1
1 210 . 5 1 1 A 26 26 PHE CB C 26 39.072 39.019 0.053 1
1 216 . 5 1 1 A 26 26 PHE N N 26 123.634 120.601 3.033 1
1 217 . 5 1 1 A 27 27 ASN H H 27 7.807 8.236 -0.429 1
1 218 . 5 1 1 A 27 27 ASN HA H 27 4.409 4.492 -0.083 1
1 223 . 5 1 1 A 27 27 ASN C C 27 176.108 177.481 -1.373 1
1 224 . 5 1 1 A 27 27 ASN CA C 27 55.307 56.450 -1.143 1
1 225 . 5 1 1 A 27 27 ASN CB C 27 38.810 37.929 0.881 1
1 226 . 5 1 1 A 27 27 ASN N N 27 112.896 117.438 -4.542 1
1 228 . 5 1 1 A 28 28 GLU H H 28 7.431 8.097 -0.666 1
1 229 . 5 1 1 A 28 28 GLU HA H 28 4.274 4.262 0.012 1
1 234 . 5 1 1 A 28 28 GLU C C 28 176.880 176.478 0.402 1
1 235 . 5 1 1 A 28 28 GLU CA C 28 57.875 58.049 -0.174 1
1 236 . 5 1 1 A 28 28 GLU CB C 28 30.965 29.589 1.376 1
1 238 . 5 1 1 A 28 28 GLU N N 28 117.899 114.626 3.273 1
1 239 . 5 1 1 A 29 29 ASN H H 29 7.950 7.950 0.000 1
1 240 . 5 1 1 A 29 29 ASN HA H 29 4.562 4.999 -0.437 1
1 245 . 5 1 1 A 29 29 ASN C C 29 174.036 174.613 -0.577 1
1 246 . 5 1 1 A 29 29 ASN CA C 29 53.654 53.103 0.551 1
1 247 . 5 1 1 A 29 29 ASN CB C 29 39.361 41.169 -1.808 1
1 248 . 5 1 1 A 29 29 ASN N N 29 116.656 117.200 -0.544 1
1 250 . 5 1 1 A 30 30 GLN H H 30 8.658 8.433 0.225 1
1 251 . 5 1 1 A 30 30 GLN HA H 30 3.848 3.335 0.513 1
1 258 . 5 1 1 A 30 30 GLN C C 30 174.503 175.353 -0.850 1
1 259 . 5 1 1 A 30 30 GLN CA C 30 57.336 57.733 -0.397 1
1 260 . 5 1 1 A 30 30 GLN CB C 30 27.978 29.293 -1.315 1
1 262 . 5 1 1 A 30 30 GLN N N 30 122.486 122.267 0.219 1
1 264 . 5 1 1 A 31 31 TYR H H 31 8.181 7.841 0.340 1
1 265 . 5 1 1 A 31 31 TYR HA H 31 4.769 5.141 -0.372 1
1 272 . 5 1 1 A 31 31 TYR C C 31 172.816 173.156 -0.340 1
1 273 . 5 1 1 A 31 31 TYR CA C 31 55.409 54.260 1.149 1
1 274 . 5 1 1 A 31 31 TYR CB C 31 38.938 38.961 -0.023 1
1 279 . 5 1 1 A 31 31 TYR N N 31 116.012 117.622 -1.610 1
1 280 . 5 1 1 A 32 32 PRO HA H 32 4.320 4.563 -0.243 1
1 287 . 5 1 1 A 32 32 PRO C C 32 177.530 176.928 0.602 1
1 288 . 5 1 1 A 32 32 PRO CA C 32 63.041 62.648 0.393 1
1 289 . 5 1 1 A 32 32 PRO CB C 32 31.052 31.824 -0.772 1
1 292 . 5 1 1 A 33 33 ASP H H 33 8.439 8.466 -0.027 1
1 293 . 5 1 1 A 33 33 ASP HA H 33 4.475 4.638 -0.163 1
1 296 . 5 1 1 A 33 33 ASP C C 33 175.397 177.519 -2.122 1
1 297 . 5 1 1 A 33 33 ASP CA C 33 52.562 54.333 -1.771 1
1 298 . 5 1 1 A 33 33 ASP CB C 33 40.363 41.856 -1.493 1
1 299 . 5 1 1 A 33 33 ASP N N 33 125.278 122.194 3.084 1
1 300 . 5 1 1 A 34 34 GLU H H 34 8.644 8.966 -0.322 1
1 301 . 5 1 1 A 34 34 GLU HA H 34 3.613 3.871 -0.258 1
1 306 . 5 1 1 A 34 34 GLU C C 34 178.261 178.548 -0.287 1
1 307 . 5 1 1 A 34 34 GLU CA C 34 61.565 59.117 2.448 1
1 308 . 5 1 1 A 34 34 GLU CB C 34 29.289 29.474 -0.185 1
1 310 . 5 1 1 A 34 34 GLU N N 34 118.756 121.385 -2.629 1
1 311 . 5 1 1 A 35 35 ALA H H 35 8.121 8.106 0.015 1
1 312 . 5 1 1 A 35 35 ALA HA H 35 4.155 4.054 0.101 1
1 316 . 5 1 1 A 35 35 ALA C C 35 181.307 179.624 1.683 1
1 317 . 5 1 1 A 35 35 ALA CA C 35 54.953 55.068 -0.115 1
1 318 . 5 1 1 A 35 35 ALA CB C 35 17.975 18.477 -0.502 1
1 319 . 5 1 1 A 35 35 ALA N N 35 121.196 122.056 -0.860 1
1 320 . 5 1 1 A 36 36 LYS H H 36 8.448 7.930 0.518 1
1 321 . 5 1 1 A 36 36 LYS HA H 36 4.157 3.987 0.170 1
1 330 . 5 1 1 A 36 36 LYS C C 36 178.769 178.647 0.122 1
1 331 . 5 1 1 A 36 36 LYS CA C 36 56.576 59.694 -3.118 1
1 332 . 5 1 1 A 36 36 LYS CB C 36 29.689 32.188 -2.499 1
1 336 . 5 1 1 A 36 36 LYS N N 36 121.690 118.311 3.379 1
1 337 . 5 1 1 A 37 37 ARG H H 37 8.977 7.917 1.060 1
1 338 . 5 1 1 A 37 37 ARG HA H 37 3.711 3.953 -0.242 1
1 345 . 5 1 1 A 37 37 ARG C C 37 178.444 179.052 -0.608 1
1 346 . 5 1 1 A 37 37 ARG CA C 37 61.131 59.260 1.871 1
1 347 . 5 1 1 A 37 37 ARG CB C 37 30.941 29.876 1.065 1
1 350 . 5 1 1 A 37 37 ARG N N 37 117.588 118.753 -1.165 1
1 351 . 5 1 1 A 38 38 GLU H H 38 7.750 7.873 -0.123 1
1 352 . 5 1 1 A 38 38 GLU HA H 38 4.083 4.112 -0.029 1
1 357 . 5 1 1 A 38 38 GLU C C 38 178.301 179.466 -1.165 1
1 358 . 5 1 1 A 38 38 GLU CA C 38 59.321 58.835 0.486 1
1 359 . 5 1 1 A 38 38 GLU CB C 38 29.013 29.564 -0.551 1
1 361 . 5 1 1 A 38 38 GLU N N 38 119.080 119.887 -0.807 1
1 362 . 5 1 1 A 39 39 GLU H H 39 7.540 7.936 -0.396 1
1 363 . 5 1 1 A 39 39 GLU HA H 39 4.048 4.102 -0.054 1
1 368 . 5 1 1 A 39 39 GLU C C 39 179.784 178.768 1.016 1
1 369 . 5 1 1 A 39 39 GLU CA C 39 59.646 59.026 0.620 1
1 370 . 5 1 1 A 39 39 GLU CB C 39 29.409 29.678 -0.269 1
1 372 . 5 1 1 A 39 39 GLU N N 39 121.188 119.440 1.748 1
1 373 . 5 1 1 A 40 40 ILE H H 40 8.634 7.758 0.876 1
1 374 . 5 1 1 A 40 40 ILE HA H 40 3.133 3.478 -0.345 1
1 384 . 5 1 1 A 40 40 ILE C C 40 178.119 177.651 0.468 1
1 385 . 5 1 1 A 40 40 ILE CA C 40 65.462 62.797 2.665 1
1 386 . 5 1 1 A 40 40 ILE CB C 40 37.951 36.728 1.223 1
1 390 . 5 1 1 A 40 40 ILE N N 40 121.126 120.035 1.091 1
1 391 . 5 1 1 A 41 41 ALA H H 41 8.462 7.881 0.581 1
1 392 . 5 1 1 A 41 41 ALA HA H 41 3.713 4.020 -0.307 1
1 396 . 5 1 1 A 41 41 ALA C C 41 178.850 179.869 -1.019 1
1 397 . 5 1 1 A 41 41 ALA CA C 41 56.014 55.312 0.702 1
1 398 . 5 1 1 A 41 41 ALA CB C 41 16.779 17.718 -0.939 1
1 399 . 5 1 1 A 41 41 ALA N N 41 123.029 123.780 -0.751 1
1 400 . 5 1 1 A 42 42 ASN H H 42 8.264 8.674 -0.410 1
1 401 . 5 1 1 A 42 42 ASN HA H 42 4.521 4.461 0.060 1
1 406 . 5 1 1 A 42 42 ASN C C 42 178.220 177.553 0.667 1
1 407 . 5 1 1 A 42 42 ASN CA C 42 56.193 55.839 0.354 1
1 408 . 5 1 1 A 42 42 ASN CB C 42 37.775 37.782 -0.007 1
1 409 . 5 1 1 A 42 42 ASN N N 42 115.462 117.759 -2.297 1
1 411 . 5 1 1 A 43 43 ALA H H 43 8.403 7.571 0.832 1
1 412 . 5 1 1 A 43 43 ALA HA H 43 4.273 4.149 0.124 1
1 416 . 5 1 1 A 43 43 ALA C C 43 180.962 179.874 1.088 1
1 417 . 5 1 1 A 43 43 ALA CA C 43 55.200 55.089 0.111 1
1 418 . 5 1 1 A 43 43 ALA CB C 43 18.478 17.930 0.548 1
1 419 . 5 1 1 A 43 43 ALA N N 43 125.139 122.262 2.877 1
1 420 . 5 1 1 A 44 44 CYS H H 44 8.457 7.695 0.762 1
1 421 . 5 1 1 A 44 44 CYS HA H 44 4.156 4.133 0.023 1
1 424 . 5 1 1 A 44 44 CYS C C 44 176.534 177.123 -0.589 1
1 425 . 5 1 1 A 44 44 CYS CA C 44 64.768 63.614 1.154 1
1 426 . 5 1 1 A 44 44 CYS CB C 44 27.644 26.904 0.740 1
1 427 . 5 1 1 A 44 44 CYS N N 44 116.609 116.244 0.365 1
1 428 . 5 1 1 A 45 45 ASN H H 45 8.346 7.943 0.403 1
1 429 . 5 1 1 A 45 45 ASN HA H 45 4.613 4.521 0.092 1
1 434 . 5 1 1 A 45 45 ASN C C 45 177.631 177.759 -0.128 1
1 435 . 5 1 1 A 45 45 ASN CA C 45 55.723 56.120 -0.397 1
1 436 . 5 1 1 A 45 45 ASN CB C 45 37.526 38.003 -0.477 1
1 437 . 5 1 1 A 45 45 ASN N N 45 117.491 118.478 -0.987 1
1 439 . 5 1 1 A 46 46 ALA H H 46 8.014 7.570 0.444 1
1 440 . 5 1 1 A 46 46 ALA HA H 46 4.200 4.083 0.117 1
1 444 . 5 1 1 A 46 46 ALA C C 46 180.292 179.631 0.661 1
1 445 . 5 1 1 A 46 46 ALA CA C 46 54.805 55.108 -0.303 1
1 446 . 5 1 1 A 46 46 ALA CB C 46 18.283 18.349 -0.066 1
1 447 . 5 1 1 A 46 46 ALA N N 46 120.198 123.406 -3.208 1
1 448 . 5 1 1 A 47 47 VAL H H 47 7.240 8.080 -0.840 1
1 449 . 5 1 1 A 47 47 VAL HA H 47 4.306 3.806 0.500 1
1 457 . 5 1 1 A 47 47 VAL C C 47 177.083 177.343 -0.260 1
1 458 . 5 1 1 A 47 47 VAL CA C 47 63.484 65.508 -2.024 1
1 459 . 5 1 1 A 47 47 VAL CB C 47 31.935 31.546 0.389 1
1 462 . 5 1 1 A 47 47 VAL N N 47 110.165 116.470 -6.305 1
1 463 . 5 1 1 A 48 48 ILE H H 48 7.146 7.412 -0.266 1
1 464 . 5 1 1 A 48 48 ILE HA H 48 4.473 4.189 0.284 1
1 474 . 5 1 1 A 48 48 ILE C C 48 175.966 175.987 -0.021 1
1 475 . 5 1 1 A 48 48 ILE CA C 48 62.055 63.377 -1.322 1
1 476 . 5 1 1 A 48 48 ILE CB C 48 39.444 38.269 1.175 1
1 480 . 5 1 1 A 48 48 ILE N N 48 112.085 116.802 -4.717 1
1 481 . 5 1 1 A 49 49 GLN H H 49 7.671 8.105 -0.434 1
1 482 . 5 1 1 A 49 49 GLN HA H 49 4.254 4.106 0.148 1
1 489 . 5 1 1 A 49 49 GLN C C 49 175.417 175.532 -0.115 1
1 490 . 5 1 1 A 49 49 GLN CA C 49 56.370 56.236 0.134 1
1 491 . 5 1 1 A 49 49 GLN CB C 49 29.289 29.105 0.184 1
1 493 . 5 1 1 A 49 49 GLN N N 49 123.076 123.458 -0.382 1
1 495 . 5 1 1 A 50 50 LYS H H 50 8.932 8.560 0.372 1
1 496 . 5 1 1 A 50 50 LYS HA H 50 4.760 4.733 0.027 1
1 502 . 5 1 1 A 50 50 LYS C C 50 174.497 174.198 0.299 1
1 503 . 5 1 1 A 50 50 LYS CA C 50 53.341 53.257 0.084 1
1 504 . 5 1 1 A 50 50 LYS CB C 50 32.860 32.882 -0.022 1
1 506 . 5 1 1 A 50 50 LYS N N 50 127.505 126.258 1.247 1
1 507 . 5 1 1 A 51 51 PRO HA H 51 4.328 4.299 0.029 1
1 514 . 5 1 1 A 51 51 PRO CA C 51 64.015 63.732 0.283 1
1 515 . 5 1 1 A 51 51 PRO CB C 51 31.590 31.265 0.325 1
1 518 . 5 1 1 A 52 52 GLY H H 52 8.752 8.771 -0.019 1
1 519 . 5 1 1 A 52 52 GLY HA2 H 52 4.113 3.963 0.150 1
1 520 . 5 1 1 A 52 52 GLY HA3 H 52 3.728 3.963 -0.235 1
1 521 . 5 1 1 A 52 52 GLY C C 52 173.732 173.571 0.161 1
1 522 . 5 1 1 A 52 52 GLY CA C 52 45.646 45.683 -0.037 1
1 523 . 5 1 1 A 53 53 LYS H H 53 7.734 7.592 0.142 1
1 524 . 5 1 1 A 53 53 LYS HA H 53 4.621 4.836 -0.215 1
1 531 . 5 1 1 A 53 53 LYS C C 53 175.681 174.574 1.107 1
1 532 . 5 1 1 A 53 53 LYS CA C 53 54.451 54.086 0.365 1
1 533 . 5 1 1 A 53 53 LYS CB C 53 34.466 35.347 -0.881 1
1 537 . 5 1 1 A 53 53 LYS N N 53 120.205 120.115 0.090 1
1 538 . 5 1 1 A 54 54 LYS H H 54 8.536 8.789 -0.253 1
1 539 . 5 1 1 A 54 54 LYS HA H 54 4.412 5.013 -0.601 1
1 546 . 5 1 1 A 54 54 LYS C C 54 177.022 175.937 1.085 1
1 547 . 5 1 1 A 54 54 LYS CA C 54 55.691 54.452 1.239 1
1 548 . 5 1 1 A 54 54 LYS CB C 54 33.453 35.171 -1.718 1
1 552 . 5 1 1 A 54 54 LYS N N 54 124.424 123.498 0.926 1
1 553 . 5 1 1 A 55 55 LEU H H 55 8.656 8.778 -0.122 1
1 554 . 5 1 1 A 55 55 LEU HA H 55 4.407 4.287 0.120 1
1 564 . 5 1 1 A 55 55 LEU C C 55 177.448 176.575 0.873 1
1 565 . 5 1 1 A 55 55 LEU CA C 55 54.670 55.136 -0.466 1
1 566 . 5 1 1 A 55 55 LEU CB C 55 43.243 42.319 0.924 1
1 570 . 5 1 1 A 55 55 LEU N N 55 126.145 127.785 -1.640 1
1 571 . 5 1 1 A 56 56 SER H H 56 9.313 8.773 0.540 1
1 572 . 5 1 1 A 56 56 SER HA H 56 4.496 4.754 -0.258 1
1 575 . 5 1 1 A 56 56 SER C C 56 175.226 175.002 0.224 1
1 576 . 5 1 1 A 56 56 SER CA C 56 57.507 57.038 0.469 1
1 577 . 5 1 1 A 56 56 SER CB C 56 64.802 65.820 -1.018 1
1 578 . 5 1 1 A 56 56 SER N N 56 121.790 117.593 4.197 1
1 579 . 5 1 1 A 57 57 ASP H H 57 8.929 9.002 -0.073 1
1 580 . 5 1 1 A 57 57 ASP HA H 57 4.314 4.326 -0.012 1
1 583 . 5 1 1 A 57 57 ASP C C 57 177.855 178.255 -0.400 1
1 584 . 5 1 1 A 57 57 ASP CA C 57 57.403 57.224 0.179 1
1 585 . 5 1 1 A 57 57 ASP CB C 57 40.353 40.330 0.023 1
1 586 . 5 1 1 A 58 58 LEU H H 58 7.824 7.898 -0.074 1
1 587 . 5 1 1 A 58 58 LEU HA H 58 4.194 4.124 0.070 1
1 597 . 5 1 1 A 58 58 LEU C C 58 177.509 178.297 -0.788 1
1 598 . 5 1 1 A 58 58 LEU CA C 58 56.754 57.666 -0.912 1
1 599 . 5 1 1 A 58 58 LEU CB C 58 42.259 41.390 0.869 1
1 603 . 5 1 1 A 58 58 LEU N N 58 117.552 118.408 -0.856 1
1 604 . 5 1 1 A 59 59 GLU H H 59 7.325 7.722 -0.397 1
1 605 . 5 1 1 A 59 59 GLU HA H 59 4.286 4.262 0.024 1
1 610 . 5 1 1 A 59 59 GLU C C 59 175.661 176.610 -0.949 1
1 611 . 5 1 1 A 59 59 GLU CA C 59 56.370 56.030 0.340 1
1 612 . 5 1 1 A 59 59 GLU CB C 59 32.314 30.664 1.650 1
1 614 . 5 1 1 A 59 59 GLU N N 59 115.631 116.252 -0.621 1
1 615 . 5 1 1 A 60 60 ARG H H 60 7.408 7.948 -0.540 1
1 616 . 5 1 1 A 60 60 ARG HA H 60 3.948 4.551 -0.603 1
1 623 . 5 1 1 A 60 60 ARG C C 60 175.194 175.366 -0.172 1
1 624 . 5 1 1 A 60 60 ARG CA C 60 57.167 56.736 0.431 1
1 625 . 5 1 1 A 60 60 ARG CB C 60 31.083 30.713 0.370 1
1 628 . 5 1 1 A 60 60 ARG N N 60 118.018 122.608 -4.590 1
1 629 . 5 1 1 A 61 61 VAL H H 61 10.175 9.233 0.942 1
1 630 . 5 1 1 A 61 61 VAL HA H 61 3.462 4.444 -0.982 1
1 638 . 5 1 1 A 61 61 VAL C C 61 175.681 176.320 -0.639 1
1 639 . 5 1 1 A 61 61 VAL CA C 61 65.077 62.523 2.554 1
1 640 . 5 1 1 A 61 61 VAL CB C 61 31.702 31.487 0.215 1
1 643 . 5 1 1 A 61 61 VAL N N 61 128.658 128.250 0.408 1
1 644 . 5 1 1 A 62 62 THR H H 62 6.270 8.645 -2.375 1
1 645 . 5 1 1 A 62 62 THR HA H 62 4.780 4.752 0.028 1
1 650 . 5 1 1 A 62 62 THR C C 62 175.064 176.128 -1.064 1
1 651 . 5 1 1 A 62 62 THR CA C 62 58.600 60.344 -1.744 1
1 652 . 5 1 1 A 62 62 THR CB C 62 72.355 71.337 1.018 1
1 654 . 5 1 1 A 62 62 THR N N 62 114.178 120.680 -6.502 1
1 655 . 5 1 1 A 63 63 SER HA H 63 3.869 4.103 -0.234 1
1 658 . 5 1 1 A 63 63 SER C C 63 176.656 176.644 0.012 1
1 659 . 5 1 1 A 63 63 SER CA C 63 61.433 62.004 -0.571 1
1 660 . 5 1 1 A 63 63 SER CB C 63 62.197 62.533 -0.336 1
1 661 . 5 1 1 A 64 64 LEU H H 64 8.062 7.998 0.064 1
1 662 . 5 1 1 A 64 64 LEU HA H 64 4.367 4.119 0.248 1
1 672 . 5 1 1 A 64 64 LEU C C 64 178.789 179.088 -0.299 1
1 673 . 5 1 1 A 64 64 LEU CA C 64 57.964 57.890 0.074 1
1 674 . 5 1 1 A 64 64 LEU CB C 64 42.052 41.823 0.229 1
1 678 . 5 1 1 A 64 64 LEU N N 64 123.294 124.119 -0.825 1
1 679 . 5 1 1 A 65 65 LYS H H 65 7.524 7.779 -0.255 1
1 680 . 5 1 1 A 65 65 LYS HA H 65 4.292 4.029 0.263 1
1 689 . 5 1 1 A 65 65 LYS C C 65 180.779 179.560 1.219 1
1 690 . 5 1 1 A 65 65 LYS CA C 65 60.266 59.601 0.665 1
1 691 . 5 1 1 A 65 65 LYS CB C 65 32.808 32.381 0.427 1
1 695 . 5 1 1 A 65 65 LYS N N 65 119.262 119.021 0.241 1
1 696 . 5 1 1 A 66 66 VAL H H 66 8.290 7.742 0.548 1
1 697 . 5 1 1 A 66 66 VAL HA H 66 4.075 3.818 0.257 1
1 705 . 5 1 1 A 66 66 VAL C C 66 177.509 177.856 -0.347 1
1 706 . 5 1 1 A 66 66 VAL CA C 66 66.963 66.572 0.391 1
1 707 . 5 1 1 A 66 66 VAL CB C 66 32.419 31.514 0.905 1
1 710 . 5 1 1 A 66 66 VAL N N 66 119.900 120.397 -0.497 1
1 711 . 5 1 1 A 67 67 TYR H H 67 8.893 8.181 0.712 1
1 712 . 5 1 1 A 67 67 TYR HA H 67 3.857 4.136 -0.279 1
1 719 . 5 1 1 A 67 67 TYR C C 67 177.956 178.101 -0.145 1
1 720 . 5 1 1 A 67 67 TYR CA C 67 62.897 61.568 1.329 1
1 721 . 5 1 1 A 67 67 TYR CB C 67 38.326 38.594 -0.268 1
1 726 . 5 1 1 A 67 67 TYR N N 67 120.861 121.242 -0.381 1
1 727 . 5 1 1 A 68 68 ASN H H 68 8.561 8.081 0.480 1
1 728 . 5 1 1 A 68 68 ASN HA H 68 4.545 4.469 0.076 1
1 733 . 5 1 1 A 68 68 ASN C C 68 177.570 178.292 -0.722 1
1 734 . 5 1 1 A 68 68 ASN CA C 68 56.222 56.622 -0.400 1
1 735 . 5 1 1 A 68 68 ASN CB C 68 38.465 38.535 -0.070 1
1 736 . 5 1 1 A 68 68 ASN N N 68 117.386 117.116 0.270 1
1 738 . 5 1 1 A 69 69 TRP H H 69 8.655 8.157 0.498 1
1 739 . 5 1 1 A 69 69 TRP HA H 69 4.151 4.338 -0.187 1
1 748 . 5 1 1 A 69 69 TRP C C 69 179.764 178.383 1.381 1
1 749 . 5 1 1 A 69 69 TRP CA C 69 63.194 61.436 1.758 1
1 750 . 5 1 1 A 69 69 TRP CB C 69 29.720 29.398 0.322 1
1 756 . 5 1 1 A 69 69 TRP N N 69 123.454 122.702 0.752 1
1 758 . 5 1 1 A 70 70 PHE H H 70 9.166 8.397 0.769 1
1 759 . 5 1 1 A 70 70 PHE HA H 70 3.745 4.477 -0.732 1
1 767 . 5 1 1 A 70 70 PHE C C 70 177.469 178.173 -0.704 1
1 768 . 5 1 1 A 70 70 PHE CA C 70 62.862 61.864 0.998 1
1 769 . 5 1 1 A 70 70 PHE CB C 70 39.115 38.254 0.861 1
1 775 . 5 1 1 A 70 70 PHE N N 70 120.259 118.247 2.012 1
1 776 . 5 1 1 A 71 71 ALA H H 71 8.169 8.451 -0.282 1
1 777 . 5 1 1 A 71 71 ALA HA H 71 3.868 3.875 -0.007 1
1 781 . 5 1 1 A 71 71 ALA C C 71 180.698 179.596 1.102 1
1 782 . 5 1 1 A 71 71 ALA CA C 71 55.307 55.159 0.148 1
1 783 . 5 1 1 A 71 71 ALA CB C 71 17.697 17.904 -0.207 1
1 784 . 5 1 1 A 71 71 ALA N N 71 120.051 122.591 -2.540 1
1 785 . 5 1 1 A 72 72 ASN H H 72 7.789 7.671 0.118 1
1 786 . 5 1 1 A 72 72 ASN HA H 72 4.280 4.337 -0.057 1
1 791 . 5 1 1 A 72 72 ASN C C 72 177.022 177.588 -0.566 1
1 792 . 5 1 1 A 72 72 ASN CA C 72 56.222 56.095 0.127 1
1 793 . 5 1 1 A 72 72 ASN CB C 72 38.363 38.661 -0.298 1
1 794 . 5 1 1 A 72 72 ASN N N 72 116.515 116.393 0.122 1
1 796 . 5 1 1 A 73 73 ARG H H 73 7.999 7.363 0.636 1
1 797 . 5 1 1 A 73 73 ARG HA H 73 3.416 3.672 -0.256 1
1 805 . 5 1 1 A 73 73 ARG C C 73 178.708 178.866 -0.158 1
1 806 . 5 1 1 A 73 73 ARG CA C 73 57.403 59.005 -1.602 1
1 807 . 5 1 1 A 73 73 ARG CB C 73 28.264 29.436 -1.172 1
1 810 . 5 1 1 A 73 73 ARG N N 73 123.203 119.555 3.648 1
1 812 . 5 1 1 A 74 74 ARG H H 74 8.033 7.951 0.082 1
1 813 . 5 1 1 A 74 74 ARG HA H 74 4.017 4.261 -0.244 1
1 820 . 5 1 1 A 74 74 ARG C C 74 178.850 179.165 -0.315 1
1 821 . 5 1 1 A 74 74 ARG CA C 74 60.414 59.320 1.094 1
1 822 . 5 1 1 A 74 74 ARG CB C 74 31.221 29.894 1.327 1
1 825 . 5 1 1 A 74 74 ARG N N 74 116.187 119.034 -2.847 1
1 826 . 5 1 1 A 75 75 LYS H H 75 7.359 8.351 -0.992 1
1 827 . 5 1 1 A 75 75 LYS HA H 75 4.054 4.043 0.011 1
1 834 . 5 1 1 A 75 75 LYS C C 75 178.301 178.646 -0.345 1
1 835 . 5 1 1 A 75 75 LYS CA C 75 58.908 59.267 -0.359 1
1 836 . 5 1 1 A 75 75 LYS CB C 75 32.463 31.953 0.510 1
1 840 . 5 1 1 A 75 75 LYS N N 75 118.329 118.761 -0.432 1
1 841 . 5 1 1 A 76 76 GLU H H 76 7.769 7.765 0.004 1
1 842 . 5 1 1 A 76 76 GLU HA H 76 4.051 4.023 0.028 1
1 847 . 5 1 1 A 76 76 GLU C C 76 178.261 179.084 -0.823 1
1 848 . 5 1 1 A 76 76 GLU CA C 76 58.200 59.064 -0.864 1
1 849 . 5 1 1 A 76 76 GLU CB C 76 29.841 29.335 0.506 1
1 851 . 5 1 1 A 76 76 GLU N N 76 119.947 119.076 0.871 1
1 852 . 5 1 1 A 77 77 ILE H H 77 7.826 7.445 0.381 1
1 853 . 5 1 1 A 77 77 ILE HA H 77 3.856 3.803 0.053 1
1 863 . 5 1 1 A 77 77 ILE C C 77 177.794 177.612 0.182 1
1 864 . 5 1 1 A 77 77 ILE CA C 77 63.454 64.239 -0.785 1
1 865 . 5 1 1 A 77 77 ILE CB C 77 38.016 37.582 0.434 1
1 869 . 5 1 1 A 77 77 ILE N N 77 119.278 117.617 1.661 1
1 870 . 5 1 1 A 78 78 LYS H H 78 7.802 8.382 -0.580 1
1 871 . 5 1 1 A 78 78 LYS HA H 78 4.196 4.045 0.151 1
1 878 . 5 1 1 A 78 78 LYS C C 78 177.591 179.079 -1.488 1
1 879 . 5 1 1 A 78 78 LYS CA C 78 57.728 59.049 -1.321 1
1 880 . 5 1 1 A 78 78 LYS CB C 78 32.601 32.019 0.582 1
1 884 . 5 1 1 A 78 78 LYS N N 78 122.041 122.293 -0.252 1
1 885 . 5 1 1 A 79 79 ARG H H 79 8.053 8.413 -0.360 1
1 886 . 5 1 1 A 79 79 ARG HA H 79 4.196 3.950 0.246 1
1 891 . 5 1 1 A 79 79 ARG C C 79 177.448 178.458 -1.010 1
1 892 . 5 1 1 A 79 79 ARG CA C 79 57.639 59.834 -2.195 1
1 893 . 5 1 1 A 79 79 ARG CB C 79 30.531 30.208 0.323 1
1 896 . 5 1 1 A 79 79 ARG N N 79 120.496 119.547 0.949 1
1 897 . 5 1 1 A 80 80 ARG H H 80 8.083 7.805 0.278 1
1 898 . 5 1 1 A 80 80 ARG HA H 80 4.193 4.102 0.091 1
1 904 . 5 1 1 A 80 80 ARG C C 80 176.786 177.664 -0.878 1
1 905 . 5 1 1 A 80 80 ARG CA C 80 57.196 58.609 -1.413 1
1 906 . 5 1 1 A 80 80 ARG CB C 80 30.531 29.966 0.565 1
1 909 . 5 1 1 A 80 80 ARG N N 80 120.092 119.520 0.572 1
1 910 . 5 1 1 A 81 81 ALA H H 81 8.062 7.914 0.148 1
1 911 . 5 1 1 A 81 81 ALA HA H 81 4.256 4.255 0.001 1
1 915 . 5 1 1 A 81 81 ALA C C 81 178.013 177.989 0.024 1
1 916 . 5 1 1 A 81 81 ALA CA C 81 53.141 52.848 0.293 1
1 917 . 5 1 1 A 81 81 ALA CB C 81 19.003 19.341 -0.338 1
1 918 . 5 1 1 A 81 81 ALA N N 81 123.434 120.794 2.640 1
1 919 . 5 1 1 A 82 82 ASN H H 82 8.219 7.624 0.595 1
1 920 . 5 1 1 A 82 82 ASN HA H 82 4.661 5.024 -0.363 1
1 925 . 5 1 1 A 82 82 ASN C C 82 175.620 175.155 0.465 1
1 926 . 5 1 1 A 82 82 ASN CA C 82 53.686 53.582 0.104 1
1 927 . 5 1 1 A 82 82 ASN CB C 82 38.672 41.151 -2.479 1
1 928 . 5 1 1 A 82 82 ASN N N 82 117.551 116.414 1.137 1
1 930 . 5 1 1 A 83 83 ILE H H 83 7.949 8.221 -0.272 1
1 931 . 5 1 1 A 83 83 ILE HA H 83 4.077 3.707 0.370 1
1 941 . 5 1 1 A 83 83 ILE C C 83 176.291 175.567 0.724 1
1 942 . 5 1 1 A 83 83 ILE CA C 83 61.695 62.623 -0.928 1
1 943 . 5 1 1 A 83 83 ILE CB C 83 38.672 36.542 2.130 1
1 947 . 5 1 1 A 83 83 ILE N N 83 120.666 117.868 2.798 1
1 948 . 5 1 1 A 84 84 ALA H H 84 8.184 8.021 0.163 1
1 949 . 5 1 1 A 84 84 ALA HA H 84 4.262 4.348 -0.086 1
1 953 . 5 1 1 A 84 84 ALA C C 84 177.794 176.163 1.631 1
1 954 . 5 1 1 A 84 84 ALA CA C 84 53.005 52.008 0.997 1
1 955 . 5 1 1 A 84 84 ALA CB C 84 18.941 17.584 1.357 1
1 956 . 5 1 1 A 84 84 ALA N N 84 126.306 123.203 3.103 1
1 957 . 5 1 1 A 85 85 ALA H H 85 8.019 7.757 0.262 1
1 958 . 5 1 1 A 85 85 ALA HA H 85 4.263 4.466 -0.203 1
1 962 . 5 1 1 A 85 85 ALA C C 85 178.143 177.324 0.819 1
1 963 . 5 1 1 A 85 85 ALA CA C 85 52.857 51.739 1.118 1
1 964 . 5 1 1 A 85 85 ALA CB C 85 19.170 21.881 -2.711 1
1 965 . 5 1 1 A 85 85 ALA N N 85 122.320 119.426 2.894 1
1 966 . 5 1 1 A 86 86 ILE H H 86 7.959 8.763 -0.804 1
1 967 . 5 1 1 A 86 86 ILE HA H 86 4.077 3.839 0.238 1
1 977 . 5 1 1 A 86 86 ILE C C 86 176.697 177.058 -0.361 1
1 978 . 5 1 1 A 86 86 ILE CA C 86 61.654 64.980 -3.326 1
1 979 . 5 1 1 A 86 86 ILE CB C 86 38.603 37.603 1.000 1
1 983 . 5 1 1 A 86 86 ILE N N 86 119.762 123.753 -3.991 1
1 984 . 5 1 1 A 87 87 LEU H H 87 8.219 7.569 0.650 1
1 985 . 5 1 1 A 87 87 LEU HA H 87 4.340 4.164 0.176 1
1 995 . 5 1 1 A 87 87 LEU C C 87 177.616 176.465 1.151 1
1 996 . 5 1 1 A 87 87 LEU CA C 87 55.425 55.966 -0.541 1
1 997 . 5 1 1 A 87 87 LEU CB C 87 42.328 42.333 -0.005 1
1 1001 . 5 1 1 A 87 87 LEU N N 87 125.404 123.556 1.848 1
1 1002 . 5 1 1 A 88 88 GLU H H 88 8.321 8.783 -0.462 1
1 1003 . 5 1 1 A 88 88 GLU HA H 88 4.287 5.100 -0.813 1
1 1008 . 5 1 1 A 88 88 GLU C C 88 176.636 174.966 1.670 1
1 1009 . 5 1 1 A 88 88 GLU CA C 88 56.872 55.330 1.542 1
1 1010 . 5 1 1 A 88 88 GLU CB C 88 30.186 32.401 -2.215 1
1 1012 . 5 1 1 A 88 88 GLU N N 88 121.673 124.816 -3.143 1
1 1013 . 5 1 1 A 89 89 SER H H 89 8.254 8.697 -0.443 1
1 1014 . 5 1 1 A 89 89 SER HA H 89 4.483 4.917 -0.434 1
1 1017 . 5 1 1 A 89 89 SER C C 89 174.693 172.877 1.816 1
1 1018 . 5 1 1 A 89 89 SER CA C 89 58.395 57.682 0.713 1
1 1019 . 5 1 1 A 89 89 SER CB C 89 64.017 66.488 -2.471 1
1 1020 . 5 1 1 A 89 89 SER N N 89 116.276 119.677 -3.401 1
1 1021 . 5 1 1 A 90 90 SER H H 90 8.346 8.864 -0.518 1
1 1022 . 5 1 1 A 90 90 SER HA H 90 4.478 4.473 0.005 1
1 1024 . 5 1 1 A 90 90 SER C C 90 174.564 174.188 0.376 1
1 1025 . 5 1 1 A 90 90 SER CA C 90 58.525 59.223 -0.698 1
1 1026 . 5 1 1 A 90 90 SER CB C 90 64.129 63.420 0.709 1
1 1027 . 5 1 1 A 90 90 SER N N 90 117.689 122.547 -4.858 1
1 1028 . 5 1 1 A 91 91 GLY H H 91 8.213 8.306 -0.093 1
1 1029 . 5 1 1 A 91 91 GLY HA2 H 91 4.112 4.230 -0.118 1
1 1030 . 5 1 1 A 91 91 GLY HA3 H 91 4.112 4.231 -0.119 1
1 1031 . 5 1 1 A 91 91 GLY C C 91 171.803 171.467 0.336 1
1 1032 . 5 1 1 A 91 91 GLY CA C 91 44.743 45.598 -0.855 1
1 1033 . 5 1 1 A 91 91 GLY N N 91 110.570 112.848 -2.278 1
1 1034 . 5 1 1 A 92 92 PRO HA H 92 4.530 4.620 -0.090 1
1 1035 . 5 1 1 A 93 93 SER HA H 93 4.498 4.622 -0.124 1
1 1037 . 5 1 1 A 93 93 SER C C 93 173.981 173.973 0.008 1
1 1038 . 5 1 1 A 93 93 SER CA C 93 57.378 59.198 -1.820 1
1 1039 . 5 1 1 A 93 93 SER CB C 93 58.505 65.150 -6.645 1
1 1040 . 5 1 1 A 94 94 SER H H 94 8.032 7.926 0.106 1
1 1041 . 5 1 1 A 94 94 SER HA H 94 4.498 4.990 -0.492 1
1 1043 . 5 1 1 A 94 94 SER C C 94 173.955 173.352 0.603 1
1 1044 . 5 1 1 A 94 94 SER CA C 94 58.436 57.328 1.108 1
1 1045 . 5 1 1 A 94 94 SER CB C 94 64.017 65.210 -1.193 1
1 1046 . 5 1 1 A 94 94 SER N N 94 116.327 116.238 0.089 1
1 1 . 6 1 1 A 11 11 ARG HA H 11 4.442 4.931 -0.489 1
1 6 . 6 1 1 A 11 11 ARG C C 11 175.365 175.321 0.044 1
1 7 . 6 1 1 A 11 11 ARG CA C 11 55.738 54.547 1.191 1
1 8 . 6 1 1 A 11 11 ARG CB C 11 31.419 33.048 -1.629 1
1 11 . 6 1 1 A 12 12 PHE H H 12 8.430 8.936 -0.506 1
1 12 . 6 1 1 A 12 12 PHE HA H 12 4.481 4.564 -0.083 1
1 20 . 6 1 1 A 12 12 PHE C C 12 174.869 174.495 0.374 1
1 21 . 6 1 1 A 12 12 PHE CA C 12 58.525 59.475 -0.950 1
1 22 . 6 1 1 A 12 12 PHE CB C 12 39.955 39.762 0.193 1
1 28 . 6 1 1 A 12 12 PHE N N 12 123.637 124.623 -0.986 1
1 29 . 6 1 1 A 13 13 THR H H 13 7.543 7.682 -0.139 1
1 30 . 6 1 1 A 13 13 THR HA H 13 4.216 4.860 -0.644 1
1 35 . 6 1 1 A 13 13 THR C C 13 172.757 171.932 0.825 1
1 36 . 6 1 1 A 13 13 THR CA C 13 60.703 58.868 1.835 1
1 37 . 6 1 1 A 13 13 THR CB C 13 70.578 71.781 -1.203 1
1 39 . 6 1 1 A 13 13 THR N N 13 122.237 119.502 2.735 1
1 40 . 6 1 1 A 14 14 TRP H H 14 8.427 8.722 -0.295 1
1 41 . 6 1 1 A 14 14 TRP HA H 14 4.195 5.352 -1.157 1
1 50 . 6 1 1 A 14 14 TRP C C 14 177.225 176.103 1.122 1
1 51 . 6 1 1 A 14 14 TRP CA C 14 57.137 55.623 1.514 1
1 52 . 6 1 1 A 14 14 TRP CB C 14 29.919 33.014 -3.095 1
1 58 . 6 1 1 A 14 14 TRP N N 14 125.363 123.794 1.569 1
1 60 . 6 1 1 A 15 15 ARG H H 15 8.790 9.205 -0.415 1
1 61 . 6 1 1 A 15 15 ARG HA H 15 4.436 4.537 -0.101 1
1 67 . 6 1 1 A 15 15 ARG C C 15 176.254 177.783 -1.529 1
1 68 . 6 1 1 A 15 15 ARG CA C 15 54.848 55.361 -0.513 1
1 69 . 6 1 1 A 15 15 ARG CB C 15 30.217 31.631 -1.414 1
1 72 . 6 1 1 A 15 15 ARG N N 15 124.453 123.394 1.059 1
1 73 . 6 1 1 A 16 16 LYS H H 16 7.990 9.097 -1.107 1
1 74 . 6 1 1 A 16 16 LYS HA H 16 3.949 3.919 0.030 1
1 81 . 6 1 1 A 16 16 LYS C C 16 179.133 178.215 0.918 1
1 82 . 6 1 1 A 16 16 LYS CA C 16 60.206 59.477 0.729 1
1 83 . 6 1 1 A 16 16 LYS CB C 16 32.102 32.239 -0.137 1
1 87 . 6 1 1 A 16 16 LYS N N 16 120.654 124.417 -3.763 1
1 88 . 6 1 1 A 17 17 GLU H H 17 10.775 8.157 2.618 1
1 89 . 6 1 1 A 17 17 GLU HA H 17 4.126 4.031 0.095 1
1 94 . 6 1 1 A 17 17 GLU C C 17 179.581 179.094 0.487 1
1 95 . 6 1 1 A 17 17 GLU CA C 17 60.262 59.436 0.826 1
1 96 . 6 1 1 A 17 17 GLU CB C 17 28.944 29.665 -0.721 1
1 98 . 6 1 1 A 17 17 GLU N N 17 119.914 119.113 0.801 1
1 99 . 6 1 1 A 18 18 CYS H H 18 7.314 8.354 -1.040 1
1 100 . 6 1 1 A 18 18 CYS HA H 18 4.166 4.285 -0.119 1
1 103 . 6 1 1 A 18 18 CYS C C 18 176.250 177.450 -1.200 1
1 104 . 6 1 1 A 18 18 CYS CA C 18 61.093 63.040 -1.947 1
1 105 . 6 1 1 A 18 18 CYS CB C 18 27.636 27.065 0.571 1
1 106 . 6 1 1 A 18 18 CYS N N 18 115.339 118.968 -3.629 1
1 107 . 6 1 1 A 19 19 LEU H H 19 7.975 8.282 -0.307 1
1 108 . 6 1 1 A 19 19 LEU HA H 19 3.365 3.590 -0.225 1
1 118 . 6 1 1 A 19 19 LEU C C 19 178.119 178.965 -0.846 1
1 119 . 6 1 1 A 19 19 LEU CA C 19 58.084 57.648 0.436 1
1 120 . 6 1 1 A 19 19 LEU CB C 19 40.713 41.077 -0.364 1
1 124 . 6 1 1 A 19 19 LEU N N 19 120.346 123.161 -2.815 1
1 125 . 6 1 1 A 20 20 ALA H H 20 7.481 8.016 -0.535 1
1 126 . 6 1 1 A 20 20 ALA HA H 20 4.079 3.983 0.096 1
1 130 . 6 1 1 A 20 20 ALA C C 20 180.800 180.537 0.263 1
1 131 . 6 1 1 A 20 20 ALA CA C 20 55.172 55.067 0.105 1
1 132 . 6 1 1 A 20 20 ALA CB C 20 17.975 18.103 -0.128 1
1 133 . 6 1 1 A 20 20 ALA N N 20 119.101 121.988 -2.887 1
1 134 . 6 1 1 A 21 21 VAL H H 21 6.932 7.300 -0.368 1
1 135 . 6 1 1 A 21 21 VAL HA H 21 3.752 3.637 0.115 1
1 143 . 6 1 1 A 21 21 VAL C C 21 178.850 178.097 0.753 1
1 144 . 6 1 1 A 21 21 VAL CA C 21 66.018 66.961 -0.943 1
1 145 . 6 1 1 A 21 21 VAL CB C 21 32.168 31.646 0.522 1
1 148 . 6 1 1 A 21 21 VAL N N 21 118.965 117.887 1.078 1
1 149 . 6 1 1 A 22 22 MET H H 22 7.925 7.660 0.265 1
1 150 . 6 1 1 A 22 22 MET HA H 22 3.894 4.114 -0.220 1
1 158 . 6 1 1 A 22 22 MET C C 22 177.997 178.626 -0.629 1
1 159 . 6 1 1 A 22 22 MET CA C 22 60.060 58.841 1.219 1
1 160 . 6 1 1 A 22 22 MET CB C 22 30.494 32.213 -1.719 1
1 163 . 6 1 1 A 22 22 MET N N 22 118.668 116.998 1.670 1
1 164 . 6 1 1 A 23 23 GLU H H 23 8.452 7.738 0.714 1
1 165 . 6 1 1 A 23 23 GLU HA H 23 4.048 4.013 0.035 1
1 170 . 6 1 1 A 23 23 GLU C C 23 178.809 178.861 -0.052 1
1 171 . 6 1 1 A 23 23 GLU CA C 23 59.676 59.236 0.440 1
1 172 . 6 1 1 A 23 23 GLU CB C 23 29.289 29.480 -0.191 1
1 174 . 6 1 1 A 23 23 GLU N N 23 118.239 119.182 -0.943 1
1 175 . 6 1 1 A 24 24 SER H H 24 7.431 7.423 0.008 1
1 176 . 6 1 1 A 24 24 SER HA H 24 4.279 4.255 0.024 1
1 179 . 6 1 1 A 24 24 SER C C 24 177.916 177.239 0.677 1
1 180 . 6 1 1 A 24 24 SER CA C 24 61.785 61.616 0.169 1
1 181 . 6 1 1 A 24 24 SER CB C 24 62.616 63.179 -0.563 1
1 182 . 6 1 1 A 24 24 SER N N 24 113.792 115.924 -2.132 1
1 183 . 6 1 1 A 25 25 TYR H H 25 7.845 8.286 -0.441 1
1 184 . 6 1 1 A 25 25 TYR HA H 25 4.354 4.367 -0.013 1
1 191 . 6 1 1 A 25 25 TYR C C 25 178.789 178.976 -0.187 1
1 192 . 6 1 1 A 25 25 TYR CA C 25 63.193 60.582 2.611 1
1 193 . 6 1 1 A 25 25 TYR CB C 25 38.706 37.745 0.961 1
1 198 . 6 1 1 A 25 25 TYR N N 25 120.184 119.528 0.656 1
1 199 . 6 1 1 A 26 26 PHE H H 26 9.279 8.256 1.023 1
1 200 . 6 1 1 A 26 26 PHE HA H 26 4.237 4.764 -0.527 1
1 208 . 6 1 1 A 26 26 PHE C C 26 175.885 178.005 -2.120 1
1 209 . 6 1 1 A 26 26 PHE CA C 26 62.008 61.539 0.469 1
1 210 . 6 1 1 A 26 26 PHE CB C 26 39.072 38.899 0.173 1
1 216 . 6 1 1 A 26 26 PHE N N 26 123.634 120.593 3.041 1
1 217 . 6 1 1 A 27 27 ASN H H 27 7.807 8.172 -0.365 1
1 218 . 6 1 1 A 27 27 ASN HA H 27 4.409 4.445 -0.036 1
1 223 . 6 1 1 A 27 27 ASN C C 27 176.108 177.554 -1.446 1
1 224 . 6 1 1 A 27 27 ASN CA C 27 55.307 56.476 -1.169 1
1 225 . 6 1 1 A 27 27 ASN CB C 27 38.810 37.951 0.859 1
1 226 . 6 1 1 A 27 27 ASN N N 27 112.896 117.299 -4.403 1
1 228 . 6 1 1 A 28 28 GLU H H 28 7.431 8.079 -0.648 1
1 229 . 6 1 1 A 28 28 GLU HA H 28 4.274 4.258 0.016 1
1 234 . 6 1 1 A 28 28 GLU C C 28 176.880 176.429 0.451 1
1 235 . 6 1 1 A 28 28 GLU CA C 28 57.875 58.063 -0.188 1
1 236 . 6 1 1 A 28 28 GLU CB C 28 30.965 29.563 1.402 1
1 238 . 6 1 1 A 28 28 GLU N N 28 117.899 114.731 3.168 1
1 239 . 6 1 1 A 29 29 ASN H H 29 7.950 7.958 -0.008 1
1 240 . 6 1 1 A 29 29 ASN HA H 29 4.562 4.987 -0.425 1
1 245 . 6 1 1 A 29 29 ASN C C 29 174.036 174.778 -0.742 1
1 246 . 6 1 1 A 29 29 ASN CA C 29 53.654 52.958 0.696 1
1 247 . 6 1 1 A 29 29 ASN CB C 29 39.361 40.882 -1.521 1
1 248 . 6 1 1 A 29 29 ASN N N 29 116.656 117.187 -0.531 1
1 250 . 6 1 1 A 30 30 GLN H H 30 8.658 8.393 0.265 1
1 251 . 6 1 1 A 30 30 GLN HA H 30 3.848 3.193 0.655 1
1 258 . 6 1 1 A 30 30 GLN C C 30 174.503 175.444 -0.941 1
1 259 . 6 1 1 A 30 30 GLN CA C 30 57.336 57.755 -0.419 1
1 260 . 6 1 1 A 30 30 GLN CB C 30 27.978 29.229 -1.251 1
1 262 . 6 1 1 A 30 30 GLN N N 30 122.486 123.132 -0.646 1
1 264 . 6 1 1 A 31 31 TYR H H 31 8.181 8.037 0.144 1
1 265 . 6 1 1 A 31 31 TYR HA H 31 4.769 5.173 -0.404 1
1 272 . 6 1 1 A 31 31 TYR C C 31 172.816 173.166 -0.350 1
1 273 . 6 1 1 A 31 31 TYR CA C 31 55.409 54.319 1.090 1
1 274 . 6 1 1 A 31 31 TYR CB C 31 38.938 38.966 -0.028 1
1 279 . 6 1 1 A 31 31 TYR N N 31 116.012 117.506 -1.494 1
1 280 . 6 1 1 A 32 32 PRO HA H 32 4.320 4.601 -0.281 1
1 287 . 6 1 1 A 32 32 PRO C C 32 177.530 176.925 0.605 1
1 288 . 6 1 1 A 32 32 PRO CA C 32 63.041 62.705 0.336 1
1 289 . 6 1 1 A 32 32 PRO CB C 32 31.052 31.862 -0.810 1
1 292 . 6 1 1 A 33 33 ASP H H 33 8.439 8.458 -0.019 1
1 293 . 6 1 1 A 33 33 ASP HA H 33 4.475 4.628 -0.153 1
1 296 . 6 1 1 A 33 33 ASP C C 33 175.397 177.510 -2.113 1
1 297 . 6 1 1 A 33 33 ASP CA C 33 52.562 54.399 -1.837 1
1 298 . 6 1 1 A 33 33 ASP CB C 33 40.363 41.855 -1.492 1
1 299 . 6 1 1 A 33 33 ASP N N 33 125.278 122.193 3.085 1
1 300 . 6 1 1 A 34 34 GLU H H 34 8.644 9.069 -0.425 1
1 301 . 6 1 1 A 34 34 GLU HA H 34 3.613 3.881 -0.268 1
1 306 . 6 1 1 A 34 34 GLU C C 34 178.261 178.272 -0.011 1
1 307 . 6 1 1 A 34 34 GLU CA C 34 61.565 59.583 1.982 1
1 308 . 6 1 1 A 34 34 GLU CB C 34 29.289 29.206 0.083 1
1 310 . 6 1 1 A 34 34 GLU N N 34 118.756 122.995 -4.239 1
1 311 . 6 1 1 A 35 35 ALA H H 35 8.121 8.254 -0.133 1
1 312 . 6 1 1 A 35 35 ALA HA H 35 4.155 4.085 0.070 1
1 316 . 6 1 1 A 35 35 ALA C C 35 181.307 179.632 1.675 1
1 317 . 6 1 1 A 35 35 ALA CA C 35 54.953 55.083 -0.130 1
1 318 . 6 1 1 A 35 35 ALA CB C 35 17.975 18.341 -0.366 1
1 319 . 6 1 1 A 35 35 ALA N N 35 121.196 121.491 -0.295 1
1 320 . 6 1 1 A 36 36 LYS H H 36 8.448 7.915 0.533 1
1 321 . 6 1 1 A 36 36 LYS HA H 36 4.157 4.039 0.118 1
1 330 . 6 1 1 A 36 36 LYS C C 36 178.769 178.617 0.152 1
1 331 . 6 1 1 A 36 36 LYS CA C 36 56.576 59.628 -3.052 1
1 332 . 6 1 1 A 36 36 LYS CB C 36 29.689 32.249 -2.560 1
1 336 . 6 1 1 A 36 36 LYS N N 36 121.690 118.384 3.306 1
1 337 . 6 1 1 A 37 37 ARG H H 37 8.977 8.054 0.923 1
1 338 . 6 1 1 A 37 37 ARG HA H 37 3.711 3.871 -0.160 1
1 345 . 6 1 1 A 37 37 ARG C C 37 178.444 178.915 -0.471 1
1 346 . 6 1 1 A 37 37 ARG CA C 37 61.131 59.407 1.724 1
1 347 . 6 1 1 A 37 37 ARG CB C 37 30.941 29.789 1.152 1
1 350 . 6 1 1 A 37 37 ARG N N 37 117.588 118.745 -1.157 1
1 351 . 6 1 1 A 38 38 GLU H H 38 7.750 7.923 -0.173 1
1 352 . 6 1 1 A 38 38 GLU HA H 38 4.083 4.127 -0.044 1
1 357 . 6 1 1 A 38 38 GLU C C 38 178.301 179.537 -1.236 1
1 358 . 6 1 1 A 38 38 GLU CA C 38 59.321 58.734 0.587 1
1 359 . 6 1 1 A 38 38 GLU CB C 38 29.013 29.498 -0.485 1
1 361 . 6 1 1 A 38 38 GLU N N 38 119.080 119.956 -0.876 1
1 362 . 6 1 1 A 39 39 GLU H H 39 7.540 7.768 -0.228 1
1 363 . 6 1 1 A 39 39 GLU HA H 39 4.048 4.096 -0.048 1
1 368 . 6 1 1 A 39 39 GLU C C 39 179.784 178.762 1.022 1
1 369 . 6 1 1 A 39 39 GLU CA C 39 59.646 59.056 0.590 1
1 370 . 6 1 1 A 39 39 GLU CB C 39 29.409 29.666 -0.257 1
1 372 . 6 1 1 A 39 39 GLU N N 39 121.188 119.834 1.354 1
1 373 . 6 1 1 A 40 40 ILE H H 40 8.634 7.830 0.804 1
1 374 . 6 1 1 A 40 40 ILE HA H 40 3.133 3.455 -0.322 1
1 384 . 6 1 1 A 40 40 ILE C C 40 178.119 177.767 0.352 1
1 385 . 6 1 1 A 40 40 ILE CA C 40 65.462 62.766 2.696 1
1 386 . 6 1 1 A 40 40 ILE CB C 40 37.951 36.826 1.125 1
1 390 . 6 1 1 A 40 40 ILE N N 40 121.126 120.020 1.106 1
1 391 . 6 1 1 A 41 41 ALA H H 41 8.462 7.861 0.601 1
1 392 . 6 1 1 A 41 41 ALA HA H 41 3.713 4.013 -0.300 1
1 396 . 6 1 1 A 41 41 ALA C C 41 178.850 179.892 -1.042 1
1 397 . 6 1 1 A 41 41 ALA CA C 41 56.014 55.259 0.755 1
1 398 . 6 1 1 A 41 41 ALA CB C 41 16.779 18.053 -1.274 1
1 399 . 6 1 1 A 41 41 ALA N N 41 123.029 123.835 -0.806 1
1 400 . 6 1 1 A 42 42 ASN H H 42 8.264 8.757 -0.493 1
1 401 . 6 1 1 A 42 42 ASN HA H 42 4.521 4.504 0.017 1
1 406 . 6 1 1 A 42 42 ASN C C 42 178.220 177.672 0.548 1
1 407 . 6 1 1 A 42 42 ASN CA C 42 56.193 55.920 0.273 1
1 408 . 6 1 1 A 42 42 ASN CB C 42 37.775 37.608 0.167 1
1 409 . 6 1 1 A 42 42 ASN N N 42 115.462 117.840 -2.378 1
1 411 . 6 1 1 A 43 43 ALA H H 43 8.403 7.600 0.803 1
1 412 . 6 1 1 A 43 43 ALA HA H 43 4.273 4.140 0.133 1
1 416 . 6 1 1 A 43 43 ALA C C 43 180.962 179.771 1.191 1
1 417 . 6 1 1 A 43 43 ALA CA C 43 55.200 55.058 0.142 1
1 418 . 6 1 1 A 43 43 ALA CB C 43 18.478 18.062 0.416 1
1 419 . 6 1 1 A 43 43 ALA N N 43 125.139 121.936 3.203 1
1 420 . 6 1 1 A 44 44 CYS H H 44 8.457 7.688 0.769 1
1 421 . 6 1 1 A 44 44 CYS HA H 44 4.156 4.127 0.029 1
1 424 . 6 1 1 A 44 44 CYS C C 44 176.534 177.381 -0.847 1
1 425 . 6 1 1 A 44 44 CYS CA C 44 64.768 63.658 1.110 1
1 426 . 6 1 1 A 44 44 CYS CB C 44 27.644 27.123 0.521 1
1 427 . 6 1 1 A 44 44 CYS N N 44 116.609 116.230 0.379 1
1 428 . 6 1 1 A 45 45 ASN H H 45 8.346 7.849 0.497 1
1 429 . 6 1 1 A 45 45 ASN HA H 45 4.613 4.513 0.100 1
1 434 . 6 1 1 A 45 45 ASN C C 45 177.631 177.754 -0.123 1
1 435 . 6 1 1 A 45 45 ASN CA C 45 55.723 56.116 -0.393 1
1 436 . 6 1 1 A 45 45 ASN CB C 45 37.526 38.032 -0.506 1
1 437 . 6 1 1 A 45 45 ASN N N 45 117.491 118.616 -1.125 1
1 439 . 6 1 1 A 46 46 ALA H H 46 8.014 7.504 0.510 1
1 440 . 6 1 1 A 46 46 ALA HA H 46 4.200 4.081 0.119 1
1 444 . 6 1 1 A 46 46 ALA C C 46 180.292 179.605 0.687 1
1 445 . 6 1 1 A 46 46 ALA CA C 46 54.805 55.083 -0.278 1
1 446 . 6 1 1 A 46 46 ALA CB C 46 18.283 18.348 -0.065 1
1 447 . 6 1 1 A 46 46 ALA N N 46 120.198 123.485 -3.287 1
1 448 . 6 1 1 A 47 47 VAL H H 47 7.240 7.959 -0.719 1
1 449 . 6 1 1 A 47 47 VAL HA H 47 4.306 3.839 0.467 1
1 457 . 6 1 1 A 47 47 VAL C C 47 177.083 177.206 -0.123 1
1 458 . 6 1 1 A 47 47 VAL CA C 47 63.484 65.260 -1.776 1
1 459 . 6 1 1 A 47 47 VAL CB C 47 31.935 31.543 0.392 1
1 462 . 6 1 1 A 47 47 VAL N N 47 110.165 116.397 -6.232 1
1 463 . 6 1 1 A 48 48 ILE H H 48 7.146 7.166 -0.020 1
1 464 . 6 1 1 A 48 48 ILE HA H 48 4.473 4.390 0.083 1
1 474 . 6 1 1 A 48 48 ILE C C 48 175.966 176.066 -0.100 1
1 475 . 6 1 1 A 48 48 ILE CA C 48 62.055 62.497 -0.442 1
1 476 . 6 1 1 A 48 48 ILE CB C 48 39.444 38.689 0.755 1
1 480 . 6 1 1 A 48 48 ILE N N 48 112.085 116.219 -4.134 1
1 481 . 6 1 1 A 49 49 GLN H H 49 7.671 8.024 -0.353 1
1 482 . 6 1 1 A 49 49 GLN HA H 49 4.254 4.111 0.143 1
1 489 . 6 1 1 A 49 49 GLN C C 49 175.417 175.291 0.126 1
1 490 . 6 1 1 A 49 49 GLN CA C 49 56.370 56.177 0.193 1
1 491 . 6 1 1 A 49 49 GLN CB C 49 29.289 29.191 0.098 1
1 493 . 6 1 1 A 49 49 GLN N N 49 123.076 123.555 -0.479 1
1 495 . 6 1 1 A 50 50 LYS H H 50 8.932 8.473 0.459 1
1 496 . 6 1 1 A 50 50 LYS HA H 50 4.760 4.780 -0.020 1
1 502 . 6 1 1 A 50 50 LYS C C 50 174.497 174.061 0.436 1
1 503 . 6 1 1 A 50 50 LYS CA C 50 53.341 52.897 0.444 1
1 504 . 6 1 1 A 50 50 LYS CB C 50 32.860 33.787 -0.927 1
1 506 . 6 1 1 A 50 50 LYS N N 50 127.505 126.259 1.246 1
1 507 . 6 1 1 A 51 51 PRO HA H 51 4.328 4.301 0.027 1
1 514 . 6 1 1 A 51 51 PRO CA C 51 64.015 63.735 0.280 1
1 515 . 6 1 1 A 51 51 PRO CB C 51 31.590 31.284 0.306 1
1 518 . 6 1 1 A 52 52 GLY H H 52 8.752 8.772 -0.020 1
1 519 . 6 1 1 A 52 52 GLY HA2 H 52 4.113 3.953 0.160 1
1 520 . 6 1 1 A 52 52 GLY HA3 H 52 3.728 3.953 -0.225 1
1 521 . 6 1 1 A 52 52 GLY C C 52 173.732 173.478 0.254 1
1 522 . 6 1 1 A 52 52 GLY CA C 52 45.646 45.662 -0.016 1
1 523 . 6 1 1 A 53 53 LYS H H 53 7.734 7.399 0.335 1
1 524 . 6 1 1 A 53 53 LYS HA H 53 4.621 4.719 -0.098 1
1 531 . 6 1 1 A 53 53 LYS C C 53 175.681 174.827 0.854 1
1 532 . 6 1 1 A 53 53 LYS CA C 53 54.451 54.627 -0.176 1
1 533 . 6 1 1 A 53 53 LYS CB C 53 34.466 35.265 -0.799 1
1 537 . 6 1 1 A 53 53 LYS N N 53 120.205 121.205 -1.000 1
1 538 . 6 1 1 A 54 54 LYS H H 54 8.536 8.638 -0.102 1
1 539 . 6 1 1 A 54 54 LYS HA H 54 4.412 4.784 -0.372 1
1 546 . 6 1 1 A 54 54 LYS C C 54 177.022 176.761 0.261 1
1 547 . 6 1 1 A 54 54 LYS CA C 54 55.691 54.870 0.821 1
1 548 . 6 1 1 A 54 54 LYS CB C 54 33.453 34.209 -0.756 1
1 552 . 6 1 1 A 54 54 LYS N N 54 124.424 125.232 -0.808 1
1 553 . 6 1 1 A 55 55 LEU H H 55 8.656 8.593 0.063 1
1 554 . 6 1 1 A 55 55 LEU HA H 55 4.407 4.334 0.073 1
1 564 . 6 1 1 A 55 55 LEU C C 55 177.448 176.520 0.928 1
1 565 . 6 1 1 A 55 55 LEU CA C 55 54.670 54.993 -0.323 1
1 566 . 6 1 1 A 55 55 LEU CB C 55 43.243 42.376 0.867 1
1 570 . 6 1 1 A 55 55 LEU N N 55 126.145 123.821 2.324 1
1 571 . 6 1 1 A 56 56 SER H H 56 9.313 8.385 0.928 1
1 572 . 6 1 1 A 56 56 SER HA H 56 4.496 4.815 -0.319 1
1 575 . 6 1 1 A 56 56 SER C C 56 175.226 174.834 0.392 1
1 576 . 6 1 1 A 56 56 SER CA C 56 57.507 55.942 1.565 1
1 577 . 6 1 1 A 56 56 SER CB C 56 64.802 64.862 -0.060 1
1 578 . 6 1 1 A 56 56 SER N N 56 121.790 118.162 3.628 1
1 579 . 6 1 1 A 57 57 ASP H H 57 8.929 9.139 -0.210 1
1 580 . 6 1 1 A 57 57 ASP HA H 57 4.314 4.321 -0.007 1
1 583 . 6 1 1 A 57 57 ASP C C 57 177.855 178.281 -0.426 1
1 584 . 6 1 1 A 57 57 ASP CA C 57 57.403 57.575 -0.172 1
1 585 . 6 1 1 A 57 57 ASP CB C 57 40.353 40.431 -0.078 1
1 586 . 6 1 1 A 58 58 LEU H H 58 7.824 8.240 -0.416 1
1 587 . 6 1 1 A 58 58 LEU HA H 58 4.194 4.115 0.079 1
1 597 . 6 1 1 A 58 58 LEU C C 58 177.509 178.347 -0.838 1
1 598 . 6 1 1 A 58 58 LEU CA C 58 56.754 57.815 -1.061 1
1 599 . 6 1 1 A 58 58 LEU CB C 58 42.259 41.277 0.982 1
1 603 . 6 1 1 A 58 58 LEU N N 58 117.552 119.258 -1.706 1
1 604 . 6 1 1 A 59 59 GLU H H 59 7.325 7.412 -0.087 1
1 605 . 6 1 1 A 59 59 GLU HA H 59 4.286 4.342 -0.056 1
1 610 . 6 1 1 A 59 59 GLU C C 59 175.661 176.730 -1.069 1
1 611 . 6 1 1 A 59 59 GLU CA C 59 56.370 56.395 -0.025 1
1 612 . 6 1 1 A 59 59 GLU CB C 59 32.314 30.319 1.995 1
1 614 . 6 1 1 A 59 59 GLU N N 59 115.631 116.480 -0.849 1
1 615 . 6 1 1 A 60 60 ARG H H 60 7.408 7.982 -0.574 1
1 616 . 6 1 1 A 60 60 ARG HA H 60 3.948 4.559 -0.611 1
1 623 . 6 1 1 A 60 60 ARG C C 60 175.194 175.271 -0.077 1
1 624 . 6 1 1 A 60 60 ARG CA C 60 57.167 56.526 0.641 1
1 625 . 6 1 1 A 60 60 ARG CB C 60 31.083 30.835 0.248 1
1 628 . 6 1 1 A 60 60 ARG N N 60 118.018 122.247 -4.229 1
1 629 . 6 1 1 A 61 61 VAL H H 61 10.175 8.993 1.182 1
1 630 . 6 1 1 A 61 61 VAL HA H 61 3.462 4.242 -0.780 1
1 638 . 6 1 1 A 61 61 VAL C C 61 175.681 176.195 -0.514 1
1 639 . 6 1 1 A 61 61 VAL CA C 61 65.077 62.708 2.369 1
1 640 . 6 1 1 A 61 61 VAL CB C 61 31.702 31.461 0.241 1
1 643 . 6 1 1 A 61 61 VAL N N 61 128.658 127.736 0.922 1
1 644 . 6 1 1 A 62 62 THR H H 62 6.270 8.524 -2.254 1
1 645 . 6 1 1 A 62 62 THR HA H 62 4.780 4.783 -0.003 1
1 650 . 6 1 1 A 62 62 THR C C 62 175.064 176.126 -1.062 1
1 651 . 6 1 1 A 62 62 THR CA C 62 58.600 60.244 -1.644 1
1 652 . 6 1 1 A 62 62 THR CB C 62 72.355 71.593 0.762 1
1 654 . 6 1 1 A 62 62 THR N N 62 114.178 120.118 -5.940 1
1 655 . 6 1 1 A 63 63 SER HA H 63 3.869 4.100 -0.231 1
1 658 . 6 1 1 A 63 63 SER C C 63 176.656 176.648 0.008 1
1 659 . 6 1 1 A 63 63 SER CA C 63 61.433 62.170 -0.737 1
1 660 . 6 1 1 A 63 63 SER CB C 63 62.197 62.467 -0.270 1
1 661 . 6 1 1 A 64 64 LEU H H 64 8.062 8.057 0.005 1
1 662 . 6 1 1 A 64 64 LEU HA H 64 4.367 4.127 0.240 1
1 672 . 6 1 1 A 64 64 LEU C C 64 178.789 179.099 -0.310 1
1 673 . 6 1 1 A 64 64 LEU CA C 64 57.964 57.838 0.126 1
1 674 . 6 1 1 A 64 64 LEU CB C 64 42.052 41.858 0.194 1
1 678 . 6 1 1 A 64 64 LEU N N 64 123.294 124.172 -0.878 1
1 679 . 6 1 1 A 65 65 LYS H H 65 7.524 7.746 -0.222 1
1 680 . 6 1 1 A 65 65 LYS HA H 65 4.292 4.071 0.221 1
1 689 . 6 1 1 A 65 65 LYS C C 65 180.779 179.607 1.172 1
1 690 . 6 1 1 A 65 65 LYS CA C 65 60.266 59.587 0.679 1
1 691 . 6 1 1 A 65 65 LYS CB C 65 32.808 32.500 0.308 1
1 695 . 6 1 1 A 65 65 LYS N N 65 119.262 119.031 0.231 1
1 696 . 6 1 1 A 66 66 VAL H H 66 8.290 7.787 0.503 1
1 697 . 6 1 1 A 66 66 VAL HA H 66 4.075 3.802 0.273 1
1 705 . 6 1 1 A 66 66 VAL C C 66 177.509 177.838 -0.329 1
1 706 . 6 1 1 A 66 66 VAL CA C 66 66.963 66.593 0.370 1
1 707 . 6 1 1 A 66 66 VAL CB C 66 32.419 31.530 0.889 1
1 710 . 6 1 1 A 66 66 VAL N N 66 119.900 120.492 -0.592 1
1 711 . 6 1 1 A 67 67 TYR H H 67 8.893 8.237 0.656 1
1 712 . 6 1 1 A 67 67 TYR HA H 67 3.857 4.140 -0.283 1
1 719 . 6 1 1 A 67 67 TYR C C 67 177.956 178.090 -0.134 1
1 720 . 6 1 1 A 67 67 TYR CA C 67 62.897 61.572 1.325 1
1 721 . 6 1 1 A 67 67 TYR CB C 67 38.326 38.546 -0.220 1
1 726 . 6 1 1 A 67 67 TYR N N 67 120.861 121.181 -0.320 1
1 727 . 6 1 1 A 68 68 ASN H H 68 8.561 8.185 0.376 1
1 728 . 6 1 1 A 68 68 ASN HA H 68 4.545 4.451 0.094 1
1 733 . 6 1 1 A 68 68 ASN C C 68 177.570 178.285 -0.715 1
1 734 . 6 1 1 A 68 68 ASN CA C 68 56.222 56.570 -0.348 1
1 735 . 6 1 1 A 68 68 ASN CB C 68 38.465 38.432 0.033 1
1 736 . 6 1 1 A 68 68 ASN N N 68 117.386 117.300 0.086 1
1 738 . 6 1 1 A 69 69 TRP H H 69 8.655 8.232 0.423 1
1 739 . 6 1 1 A 69 69 TRP HA H 69 4.151 4.339 -0.188 1
1 748 . 6 1 1 A 69 69 TRP C C 69 179.764 178.225 1.539 1
1 749 . 6 1 1 A 69 69 TRP CA C 69 63.194 61.418 1.776 1
1 750 . 6 1 1 A 69 69 TRP CB C 69 29.720 29.322 0.398 1
1 756 . 6 1 1 A 69 69 TRP N N 69 123.454 122.755 0.699 1
1 758 . 6 1 1 A 70 70 PHE H H 70 9.166 8.552 0.614 1
1 759 . 6 1 1 A 70 70 PHE HA H 70 3.745 4.554 -0.809 1
1 767 . 6 1 1 A 70 70 PHE C C 70 177.469 178.376 -0.907 1
1 768 . 6 1 1 A 70 70 PHE CA C 70 62.862 61.785 1.077 1
1 769 . 6 1 1 A 70 70 PHE CB C 70 39.115 38.136 0.979 1
1 775 . 6 1 1 A 70 70 PHE N N 70 120.259 118.369 1.890 1
1 776 . 6 1 1 A 71 71 ALA H H 71 8.169 8.373 -0.204 1
1 777 . 6 1 1 A 71 71 ALA HA H 71 3.868 3.943 -0.075 1
1 781 . 6 1 1 A 71 71 ALA C C 71 180.698 179.849 0.849 1
1 782 . 6 1 1 A 71 71 ALA CA C 71 55.307 55.113 0.194 1
1 783 . 6 1 1 A 71 71 ALA CB C 71 17.697 17.982 -0.285 1
1 784 . 6 1 1 A 71 71 ALA N N 71 120.051 122.591 -2.540 1
1 785 . 6 1 1 A 72 72 ASN H H 72 7.789 7.739 0.050 1
1 786 . 6 1 1 A 72 72 ASN HA H 72 4.280 4.336 -0.056 1
1 791 . 6 1 1 A 72 72 ASN C C 72 177.022 177.608 -0.586 1
1 792 . 6 1 1 A 72 72 ASN CA C 72 56.222 56.093 0.129 1
1 793 . 6 1 1 A 72 72 ASN CB C 72 38.363 38.593 -0.230 1
1 794 . 6 1 1 A 72 72 ASN N N 72 116.515 116.509 0.006 1
1 796 . 6 1 1 A 73 73 ARG H H 73 7.999 7.547 0.452 1
1 797 . 6 1 1 A 73 73 ARG HA H 73 3.416 3.640 -0.224 1
1 805 . 6 1 1 A 73 73 ARG C C 73 178.708 178.875 -0.167 1
1 806 . 6 1 1 A 73 73 ARG CA C 73 57.403 59.030 -1.627 1
1 807 . 6 1 1 A 73 73 ARG CB C 73 28.264 29.450 -1.186 1
1 810 . 6 1 1 A 73 73 ARG N N 73 123.203 119.617 3.586 1
1 812 . 6 1 1 A 74 74 ARG H H 74 8.033 7.850 0.183 1
1 813 . 6 1 1 A 74 74 ARG HA H 74 4.017 4.184 -0.167 1
1 820 . 6 1 1 A 74 74 ARG C C 74 178.850 179.073 -0.223 1
1 821 . 6 1 1 A 74 74 ARG CA C 74 60.414 59.213 1.201 1
1 822 . 6 1 1 A 74 74 ARG CB C 74 31.221 29.810 1.411 1
1 825 . 6 1 1 A 74 74 ARG N N 74 116.187 119.052 -2.865 1
1 826 . 6 1 1 A 75 75 LYS H H 75 7.359 7.991 -0.632 1
1 827 . 6 1 1 A 75 75 LYS HA H 75 4.054 4.038 0.016 1
1 834 . 6 1 1 A 75 75 LYS C C 75 178.301 178.603 -0.302 1
1 835 . 6 1 1 A 75 75 LYS CA C 75 58.908 59.235 -0.327 1
1 836 . 6 1 1 A 75 75 LYS CB C 75 32.463 31.853 0.610 1
1 840 . 6 1 1 A 75 75 LYS N N 75 118.329 118.769 -0.440 1
1 841 . 6 1 1 A 76 76 GLU H H 76 7.769 7.680 0.089 1
1 842 . 6 1 1 A 76 76 GLU HA H 76 4.051 4.019 0.032 1
1 847 . 6 1 1 A 76 76 GLU C C 76 178.261 179.119 -0.858 1
1 848 . 6 1 1 A 76 76 GLU CA C 76 58.200 59.092 -0.892 1
1 849 . 6 1 1 A 76 76 GLU CB C 76 29.841 29.339 0.502 1
1 851 . 6 1 1 A 76 76 GLU N N 76 119.947 119.064 0.883 1
1 852 . 6 1 1 A 77 77 ILE H H 77 7.826 7.613 0.213 1
1 853 . 6 1 1 A 77 77 ILE HA H 77 3.856 3.792 0.064 1
1 863 . 6 1 1 A 77 77 ILE C C 77 177.794 177.603 0.191 1
1 864 . 6 1 1 A 77 77 ILE CA C 77 63.454 64.223 -0.769 1
1 865 . 6 1 1 A 77 77 ILE CB C 77 38.016 37.562 0.454 1
1 869 . 6 1 1 A 77 77 ILE N N 77 119.278 117.436 1.842 1
1 870 . 6 1 1 A 78 78 LYS H H 78 7.802 8.298 -0.496 1
1 871 . 6 1 1 A 78 78 LYS HA H 78 4.196 4.036 0.160 1
1 878 . 6 1 1 A 78 78 LYS C C 78 177.591 179.024 -1.433 1
1 879 . 6 1 1 A 78 78 LYS CA C 78 57.728 59.056 -1.328 1
1 880 . 6 1 1 A 78 78 LYS CB C 78 32.601 32.004 0.597 1
1 884 . 6 1 1 A 78 78 LYS N N 78 122.041 122.331 -0.290 1
1 885 . 6 1 1 A 79 79 ARG H H 79 8.053 8.327 -0.274 1
1 886 . 6 1 1 A 79 79 ARG HA H 79 4.196 4.016 0.180 1
1 891 . 6 1 1 A 79 79 ARG C C 79 177.448 178.494 -1.046 1
1 892 . 6 1 1 A 79 79 ARG CA C 79 57.639 59.300 -1.661 1
1 893 . 6 1 1 A 79 79 ARG CB C 79 30.531 29.650 0.881 1
1 896 . 6 1 1 A 79 79 ARG N N 79 120.496 119.604 0.892 1
1 897 . 6 1 1 A 80 80 ARG H H 80 8.083 7.617 0.466 1
1 898 . 6 1 1 A 80 80 ARG HA H 80 4.193 4.084 0.109 1
1 904 . 6 1 1 A 80 80 ARG C C 80 176.786 178.625 -1.839 1
1 905 . 6 1 1 A 80 80 ARG CA C 80 57.196 58.737 -1.541 1
1 906 . 6 1 1 A 80 80 ARG CB C 80 30.531 29.814 0.717 1
1 909 . 6 1 1 A 80 80 ARG N N 80 120.092 119.511 0.581 1
1 910 . 6 1 1 A 81 81 ALA H H 81 8.062 7.872 0.190 1
1 911 . 6 1 1 A 81 81 ALA HA H 81 4.256 4.058 0.198 1
1 915 . 6 1 1 A 81 81 ALA C C 81 178.013 180.186 -2.173 1
1 916 . 6 1 1 A 81 81 ALA CA C 81 53.141 54.518 -1.377 1
1 917 . 6 1 1 A 81 81 ALA CB C 81 19.003 18.288 0.715 1
1 918 . 6 1 1 A 81 81 ALA N N 81 123.434 121.952 1.482 1
1 919 . 6 1 1 A 82 82 ASN H H 82 8.219 7.808 0.411 1
1 920 . 6 1 1 A 82 82 ASN HA H 82 4.661 4.483 0.178 1
1 925 . 6 1 1 A 82 82 ASN C C 82 175.620 176.874 -1.254 1
1 926 . 6 1 1 A 82 82 ASN CA C 82 53.686 55.943 -2.257 1
1 927 . 6 1 1 A 82 82 ASN CB C 82 38.672 39.371 -0.699 1
1 928 . 6 1 1 A 82 82 ASN N N 82 117.551 117.383 0.168 1
1 930 . 6 1 1 A 83 83 ILE H H 83 7.949 7.741 0.208 1
1 931 . 6 1 1 A 83 83 ILE HA H 83 4.077 4.271 -0.194 1
1 941 . 6 1 1 A 83 83 ILE C C 83 176.291 174.830 1.461 1
1 942 . 6 1 1 A 83 83 ILE CA C 83 61.695 60.769 0.926 1
1 943 . 6 1 1 A 83 83 ILE CB C 83 38.672 37.396 1.276 1
1 947 . 6 1 1 A 83 83 ILE N N 83 120.666 116.595 4.071 1
1 948 . 6 1 1 A 84 84 ALA H H 84 8.184 7.999 0.185 1
1 949 . 6 1 1 A 84 84 ALA HA H 84 4.262 3.923 0.339 1
1 953 . 6 1 1 A 84 84 ALA C C 84 177.794 176.623 1.171 1
1 954 . 6 1 1 A 84 84 ALA CA C 84 53.005 53.204 -0.199 1
1 955 . 6 1 1 A 84 84 ALA CB C 84 18.941 17.171 1.770 1
1 956 . 6 1 1 A 84 84 ALA N N 84 126.306 122.408 3.898 1
1 957 . 6 1 1 A 85 85 ALA H H 85 8.019 7.530 0.489 1
1 958 . 6 1 1 A 85 85 ALA HA H 85 4.263 4.272 -0.009 1
1 962 . 6 1 1 A 85 85 ALA C C 85 178.143 178.016 0.127 1
1 963 . 6 1 1 A 85 85 ALA CA C 85 52.857 52.795 0.062 1
1 964 . 6 1 1 A 85 85 ALA CB C 85 19.170 19.364 -0.194 1
1 965 . 6 1 1 A 85 85 ALA N N 85 122.320 118.398 3.922 1
1 966 . 6 1 1 A 86 86 ILE H H 86 7.959 9.042 -1.083 1
1 967 . 6 1 1 A 86 86 ILE HA H 86 4.077 4.443 -0.366 1
1 977 . 6 1 1 A 86 86 ILE C C 86 176.697 174.741 1.956 1
1 978 . 6 1 1 A 86 86 ILE CA C 86 61.654 60.775 0.879 1
1 979 . 6 1 1 A 86 86 ILE CB C 86 38.603 37.962 0.641 1
1 983 . 6 1 1 A 86 86 ILE N N 86 119.762 123.567 -3.805 1
1 984 . 6 1 1 A 87 87 LEU H H 87 8.219 7.496 0.723 1
1 985 . 6 1 1 A 87 87 LEU HA H 87 4.340 5.083 -0.743 1
1 995 . 6 1 1 A 87 87 LEU C C 87 177.616 174.624 2.992 1
1 996 . 6 1 1 A 87 87 LEU CA C 87 55.425 53.863 1.562 1
1 997 . 6 1 1 A 87 87 LEU CB C 87 42.328 43.931 -1.603 1
1 1001 . 6 1 1 A 87 87 LEU N N 87 125.404 124.599 0.805 1
1 1002 . 6 1 1 A 88 88 GLU H H 88 8.321 8.977 -0.656 1
1 1003 . 6 1 1 A 88 88 GLU HA H 88 4.287 4.871 -0.584 1
1 1008 . 6 1 1 A 88 88 GLU C C 88 176.636 175.286 1.350 1
1 1009 . 6 1 1 A 88 88 GLU CA C 88 56.872 54.409 2.463 1
1 1010 . 6 1 1 A 88 88 GLU CB C 88 30.186 33.474 -3.288 1
1 1012 . 6 1 1 A 88 88 GLU N N 88 121.673 126.139 -4.466 1
1 1013 . 6 1 1 A 89 89 SER H H 89 8.254 8.605 -0.351 1
1 1014 . 6 1 1 A 89 89 SER HA H 89 4.483 4.811 -0.328 1
1 1017 . 6 1 1 A 89 89 SER C C 89 174.693 173.617 1.076 1
1 1018 . 6 1 1 A 89 89 SER CA C 89 58.395 57.624 0.771 1
1 1019 . 6 1 1 A 89 89 SER CB C 89 64.017 67.267 -3.250 1
1 1020 . 6 1 1 A 89 89 SER N N 89 116.276 116.879 -0.603 1
1 1021 . 6 1 1 A 90 90 SER H H 90 8.346 8.683 -0.337 1
1 1022 . 6 1 1 A 90 90 SER HA H 90 4.478 4.402 0.076 1
1 1024 . 6 1 1 A 90 90 SER C C 90 174.564 174.824 -0.260 1
1 1025 . 6 1 1 A 90 90 SER CA C 90 58.525 58.819 -0.294 1
1 1026 . 6 1 1 A 90 90 SER CB C 90 64.129 63.567 0.562 1
1 1027 . 6 1 1 A 90 90 SER N N 90 117.689 117.128 0.561 1
1 1028 . 6 1 1 A 91 91 GLY H H 91 8.213 8.698 -0.485 1
1 1029 . 6 1 1 A 91 91 GLY HA2 H 91 4.112 4.533 -0.421 1
1 1030 . 6 1 1 A 91 91 GLY HA3 H 91 4.112 4.538 -0.426 1
1 1031 . 6 1 1 A 91 91 GLY C C 91 171.803 172.112 -0.309 1
1 1032 . 6 1 1 A 91 91 GLY CA C 91 44.743 45.608 -0.865 1
1 1033 . 6 1 1 A 91 91 GLY N N 91 110.570 110.898 -0.328 1
1 1034 . 6 1 1 A 92 92 PRO HA H 92 4.530 4.702 -0.172 1
1 1035 . 6 1 1 A 93 93 SER HA H 93 4.498 4.961 -0.463 1
1 1037 . 6 1 1 A 93 93 SER C C 93 173.981 172.712 1.269 1
1 1038 . 6 1 1 A 93 93 SER CA C 93 57.378 57.415 -0.037 1
1 1039 . 6 1 1 A 93 93 SER CB C 93 58.505 67.609 -9.104 1
1 1040 . 6 1 1 A 94 94 SER H H 94 8.032 8.767 -0.735 1
1 1041 . 6 1 1 A 94 94 SER HA H 94 4.498 5.022 -0.524 1
1 1043 . 6 1 1 A 94 94 SER C C 94 173.955 175.030 -1.075 1
1 1044 . 6 1 1 A 94 94 SER CA C 94 58.436 57.347 1.089 1
1 1045 . 6 1 1 A 94 94 SER CB C 94 64.017 64.818 -0.801 1
1 1046 . 6 1 1 A 94 94 SER N N 94 116.327 117.746 -1.419 1
1 1 . 7 1 1 A 11 11 ARG HA H 11 4.442 4.587 -0.145 1
1 6 . 7 1 1 A 11 11 ARG C C 11 175.365 175.149 0.216 1
1 7 . 7 1 1 A 11 11 ARG CA C 11 55.738 54.860 0.878 1
1 8 . 7 1 1 A 11 11 ARG CB C 11 31.419 29.311 2.108 1
1 11 . 7 1 1 A 12 12 PHE H H 12 8.430 9.013 -0.583 1
1 12 . 7 1 1 A 12 12 PHE HA H 12 4.481 5.207 -0.726 1
1 20 . 7 1 1 A 12 12 PHE C C 12 174.869 173.805 1.064 1
1 21 . 7 1 1 A 12 12 PHE CA C 12 58.525 56.536 1.989 1
1 22 . 7 1 1 A 12 12 PHE CB C 12 39.955 42.479 -2.524 1
1 28 . 7 1 1 A 12 12 PHE N N 12 123.637 125.745 -2.108 1
1 29 . 7 1 1 A 13 13 THR H H 13 7.543 6.843 0.700 1
1 30 . 7 1 1 A 13 13 THR HA H 13 4.216 4.393 -0.177 1
1 35 . 7 1 1 A 13 13 THR C C 13 172.757 172.692 0.065 1
1 36 . 7 1 1 A 13 13 THR CA C 13 60.703 60.636 0.067 1
1 37 . 7 1 1 A 13 13 THR CB C 13 70.578 71.952 -1.374 1
1 39 . 7 1 1 A 13 13 THR N N 13 122.237 116.337 5.900 1
1 40 . 7 1 1 A 14 14 TRP H H 14 8.427 8.686 -0.259 1
1 41 . 7 1 1 A 14 14 TRP HA H 14 4.195 4.910 -0.715 1
1 50 . 7 1 1 A 14 14 TRP C C 14 177.225 175.900 1.325 1
1 51 . 7 1 1 A 14 14 TRP CA C 14 57.137 55.604 1.533 1
1 52 . 7 1 1 A 14 14 TRP CB C 14 29.919 29.626 0.293 1
1 58 . 7 1 1 A 14 14 TRP N N 14 125.363 125.670 -0.307 1
1 60 . 7 1 1 A 15 15 ARG H H 15 8.790 8.610 0.180 1
1 61 . 7 1 1 A 15 15 ARG HA H 15 4.436 4.266 0.170 1
1 67 . 7 1 1 A 15 15 ARG C C 15 176.254 177.599 -1.345 1
1 68 . 7 1 1 A 15 15 ARG CA C 15 54.848 56.955 -2.107 1
1 69 . 7 1 1 A 15 15 ARG CB C 15 30.217 30.743 -0.526 1
1 72 . 7 1 1 A 15 15 ARG N N 15 124.453 124.359 0.094 1
1 73 . 7 1 1 A 16 16 LYS H H 16 7.990 8.772 -0.782 1
1 74 . 7 1 1 A 16 16 LYS HA H 16 3.949 4.010 -0.061 1
1 81 . 7 1 1 A 16 16 LYS C C 16 179.133 178.502 0.631 1
1 82 . 7 1 1 A 16 16 LYS CA C 16 60.206 59.446 0.760 1
1 83 . 7 1 1 A 16 16 LYS CB C 16 32.102 32.058 0.044 1
1 87 . 7 1 1 A 16 16 LYS N N 16 120.654 122.511 -1.857 1
1 88 . 7 1 1 A 17 17 GLU H H 17 10.775 8.242 2.533 1
1 89 . 7 1 1 A 17 17 GLU HA H 17 4.126 4.022 0.104 1
1 94 . 7 1 1 A 17 17 GLU C C 17 179.581 179.203 0.378 1
1 95 . 7 1 1 A 17 17 GLU CA C 17 60.262 59.245 1.017 1
1 96 . 7 1 1 A 17 17 GLU CB C 17 28.944 29.755 -0.811 1
1 98 . 7 1 1 A 17 17 GLU N N 17 119.914 119.905 0.009 1
1 99 . 7 1 1 A 18 18 CYS H H 18 7.314 8.292 -0.978 1
1 100 . 7 1 1 A 18 18 CYS HA H 18 4.166 4.207 -0.041 1
1 103 . 7 1 1 A 18 18 CYS C C 18 176.250 177.427 -1.177 1
1 104 . 7 1 1 A 18 18 CYS CA C 18 61.093 63.182 -2.089 1
1 105 . 7 1 1 A 18 18 CYS CB C 18 27.636 26.823 0.813 1
1 106 . 7 1 1 A 18 18 CYS N N 18 115.339 118.945 -3.606 1
1 107 . 7 1 1 A 19 19 LEU H H 19 7.975 8.118 -0.143 1
1 108 . 7 1 1 A 19 19 LEU HA H 19 3.365 3.498 -0.133 1
1 118 . 7 1 1 A 19 19 LEU C C 19 178.119 179.084 -0.965 1
1 119 . 7 1 1 A 19 19 LEU CA C 19 58.084 57.557 0.527 1
1 120 . 7 1 1 A 19 19 LEU CB C 19 40.713 40.886 -0.173 1
1 124 . 7 1 1 A 19 19 LEU N N 19 120.346 122.847 -2.501 1
1 125 . 7 1 1 A 20 20 ALA H H 20 7.481 7.544 -0.063 1
1 126 . 7 1 1 A 20 20 ALA HA H 20 4.079 3.996 0.083 1
1 130 . 7 1 1 A 20 20 ALA C C 20 180.800 180.434 0.366 1
1 131 . 7 1 1 A 20 20 ALA CA C 20 55.172 54.993 0.179 1
1 132 . 7 1 1 A 20 20 ALA CB C 20 17.975 18.117 -0.142 1
1 133 . 7 1 1 A 20 20 ALA N N 20 119.101 122.379 -3.278 1
1 134 . 7 1 1 A 21 21 VAL H H 21 6.932 7.521 -0.589 1
1 135 . 7 1 1 A 21 21 VAL HA H 21 3.752 3.496 0.256 1
1 143 . 7 1 1 A 21 21 VAL C C 21 178.850 178.143 0.707 1
1 144 . 7 1 1 A 21 21 VAL CA C 21 66.018 66.983 -0.965 1
1 145 . 7 1 1 A 21 21 VAL CB C 21 32.168 31.490 0.678 1
1 148 . 7 1 1 A 21 21 VAL N N 21 118.965 118.052 0.913 1
1 149 . 7 1 1 A 22 22 MET H H 22 7.925 7.622 0.303 1
1 150 . 7 1 1 A 22 22 MET HA H 22 3.894 4.185 -0.291 1
1 158 . 7 1 1 A 22 22 MET C C 22 177.997 178.502 -0.505 1
1 159 . 7 1 1 A 22 22 MET CA C 22 60.060 58.984 1.076 1
1 160 . 7 1 1 A 22 22 MET CB C 22 30.494 32.307 -1.813 1
1 163 . 7 1 1 A 22 22 MET N N 22 118.668 117.409 1.259 1
1 164 . 7 1 1 A 23 23 GLU H H 23 8.452 7.584 0.868 1
1 165 . 7 1 1 A 23 23 GLU HA H 23 4.048 4.130 -0.082 1
1 170 . 7 1 1 A 23 23 GLU C C 23 178.809 179.186 -0.377 1
1 171 . 7 1 1 A 23 23 GLU CA C 23 59.676 59.177 0.499 1
1 172 . 7 1 1 A 23 23 GLU CB C 23 29.289 29.324 -0.035 1
1 174 . 7 1 1 A 23 23 GLU N N 23 118.239 119.058 -0.819 1
1 175 . 7 1 1 A 24 24 SER H H 24 7.431 7.473 -0.042 1
1 176 . 7 1 1 A 24 24 SER HA H 24 4.279 4.262 0.017 1
1 179 . 7 1 1 A 24 24 SER C C 24 177.916 177.089 0.827 1
1 180 . 7 1 1 A 24 24 SER CA C 24 61.785 61.631 0.154 1
1 181 . 7 1 1 A 24 24 SER CB C 24 62.616 63.018 -0.402 1
1 182 . 7 1 1 A 24 24 SER N N 24 113.792 115.970 -2.178 1
1 183 . 7 1 1 A 25 25 TYR H H 25 7.845 8.037 -0.192 1
1 184 . 7 1 1 A 25 25 TYR HA H 25 4.354 4.321 0.033 1
1 191 . 7 1 1 A 25 25 TYR C C 25 178.789 178.942 -0.153 1
1 192 . 7 1 1 A 25 25 TYR CA C 25 63.193 60.892 2.301 1
1 193 . 7 1 1 A 25 25 TYR CB C 25 38.706 38.142 0.564 1
1 198 . 7 1 1 A 25 25 TYR N N 25 120.184 119.337 0.847 1
1 199 . 7 1 1 A 26 26 PHE H H 26 9.279 8.270 1.009 1
1 200 . 7 1 1 A 26 26 PHE HA H 26 4.237 4.718 -0.481 1
1 208 . 7 1 1 A 26 26 PHE C C 26 175.885 178.003 -2.118 1
1 209 . 7 1 1 A 26 26 PHE CA C 26 62.008 61.589 0.419 1
1 210 . 7 1 1 A 26 26 PHE CB C 26 39.072 38.910 0.162 1
1 216 . 7 1 1 A 26 26 PHE N N 26 123.634 120.690 2.944 1
1 217 . 7 1 1 A 27 27 ASN H H 27 7.807 8.061 -0.254 1
1 218 . 7 1 1 A 27 27 ASN HA H 27 4.409 4.478 -0.069 1
1 223 . 7 1 1 A 27 27 ASN C C 27 176.108 177.468 -1.360 1
1 224 . 7 1 1 A 27 27 ASN CA C 27 55.307 56.443 -1.136 1
1 225 . 7 1 1 A 27 27 ASN CB C 27 38.810 37.926 0.884 1
1 226 . 7 1 1 A 27 27 ASN N N 27 112.896 117.328 -4.432 1
1 228 . 7 1 1 A 28 28 GLU H H 28 7.431 7.947 -0.516 1
1 229 . 7 1 1 A 28 28 GLU HA H 28 4.274 4.279 -0.005 1
1 234 . 7 1 1 A 28 28 GLU C C 28 176.880 176.414 0.466 1
1 235 . 7 1 1 A 28 28 GLU CA C 28 57.875 58.022 -0.147 1
1 236 . 7 1 1 A 28 28 GLU CB C 28 30.965 29.436 1.529 1
1 238 . 7 1 1 A 28 28 GLU N N 28 117.899 114.796 3.103 1
1 239 . 7 1 1 A 29 29 ASN H H 29 7.950 8.140 -0.190 1
1 240 . 7 1 1 A 29 29 ASN HA H 29 4.562 4.962 -0.400 1
1 245 . 7 1 1 A 29 29 ASN C C 29 174.036 175.133 -1.097 1
1 246 . 7 1 1 A 29 29 ASN CA C 29 53.654 52.856 0.798 1
1 247 . 7 1 1 A 29 29 ASN CB C 29 39.361 40.605 -1.244 1
1 248 . 7 1 1 A 29 29 ASN N N 29 116.656 117.567 -0.911 1
1 250 . 7 1 1 A 30 30 GLN H H 30 8.658 8.370 0.288 1
1 251 . 7 1 1 A 30 30 GLN HA H 30 3.848 3.126 0.722 1
1 258 . 7 1 1 A 30 30 GLN C C 30 174.503 175.456 -0.953 1
1 259 . 7 1 1 A 30 30 GLN CA C 30 57.336 58.346 -1.010 1
1 260 . 7 1 1 A 30 30 GLN CB C 30 27.978 28.966 -0.988 1
1 262 . 7 1 1 A 30 30 GLN N N 30 122.486 123.314 -0.828 1
1 264 . 7 1 1 A 31 31 TYR H H 31 8.181 7.566 0.615 1
1 265 . 7 1 1 A 31 31 TYR HA H 31 4.769 5.085 -0.316 1
1 272 . 7 1 1 A 31 31 TYR C C 31 172.816 173.104 -0.288 1
1 273 . 7 1 1 A 31 31 TYR CA C 31 55.409 53.911 1.498 1
1 274 . 7 1 1 A 31 31 TYR CB C 31 38.938 38.613 0.325 1
1 279 . 7 1 1 A 31 31 TYR N N 31 116.012 117.204 -1.192 1
1 280 . 7 1 1 A 32 32 PRO HA H 32 4.320 4.596 -0.276 1
1 287 . 7 1 1 A 32 32 PRO C C 32 177.530 176.951 0.579 1
1 288 . 7 1 1 A 32 32 PRO CA C 32 63.041 62.758 0.283 1
1 289 . 7 1 1 A 32 32 PRO CB C 32 31.052 31.868 -0.816 1
1 292 . 7 1 1 A 33 33 ASP H H 33 8.439 8.474 -0.035 1
1 293 . 7 1 1 A 33 33 ASP HA H 33 4.475 4.666 -0.191 1
1 296 . 7 1 1 A 33 33 ASP C C 33 175.397 177.529 -2.132 1
1 297 . 7 1 1 A 33 33 ASP CA C 33 52.562 54.337 -1.775 1
1 298 . 7 1 1 A 33 33 ASP CB C 33 40.363 41.830 -1.467 1
1 299 . 7 1 1 A 33 33 ASP N N 33 125.278 122.135 3.143 1
1 300 . 7 1 1 A 34 34 GLU H H 34 8.644 9.071 -0.427 1
1 301 . 7 1 1 A 34 34 GLU HA H 34 3.613 3.910 -0.297 1
1 306 . 7 1 1 A 34 34 GLU C C 34 178.261 178.197 0.064 1
1 307 . 7 1 1 A 34 34 GLU CA C 34 61.565 59.563 2.002 1
1 308 . 7 1 1 A 34 34 GLU CB C 34 29.289 29.221 0.068 1
1 310 . 7 1 1 A 34 34 GLU N N 34 118.756 123.056 -4.300 1
1 311 . 7 1 1 A 35 35 ALA H H 35 8.121 8.174 -0.053 1
1 312 . 7 1 1 A 35 35 ALA HA H 35 4.155 4.098 0.057 1
1 316 . 7 1 1 A 35 35 ALA C C 35 181.307 179.616 1.691 1
1 317 . 7 1 1 A 35 35 ALA CA C 35 54.953 55.108 -0.155 1
1 318 . 7 1 1 A 35 35 ALA CB C 35 17.975 18.347 -0.372 1
1 319 . 7 1 1 A 35 35 ALA N N 35 121.196 121.373 -0.177 1
1 320 . 7 1 1 A 36 36 LYS H H 36 8.448 7.945 0.503 1
1 321 . 7 1 1 A 36 36 LYS HA H 36 4.157 4.054 0.103 1
1 330 . 7 1 1 A 36 36 LYS C C 36 178.769 178.744 0.025 1
1 331 . 7 1 1 A 36 36 LYS CA C 36 56.576 59.702 -3.126 1
1 332 . 7 1 1 A 36 36 LYS CB C 36 29.689 32.267 -2.578 1
1 336 . 7 1 1 A 36 36 LYS N N 36 121.690 118.549 3.141 1
1 337 . 7 1 1 A 37 37 ARG H H 37 8.977 8.284 0.693 1
1 338 . 7 1 1 A 37 37 ARG HA H 37 3.711 3.926 -0.215 1
1 345 . 7 1 1 A 37 37 ARG C C 37 178.444 178.958 -0.514 1
1 346 . 7 1 1 A 37 37 ARG CA C 37 61.131 59.489 1.642 1
1 347 . 7 1 1 A 37 37 ARG CB C 37 30.941 29.818 1.123 1
1 350 . 7 1 1 A 37 37 ARG N N 37 117.588 118.930 -1.342 1
1 351 . 7 1 1 A 38 38 GLU H H 38 7.750 7.947 -0.197 1
1 352 . 7 1 1 A 38 38 GLU HA H 38 4.083 4.149 -0.066 1
1 357 . 7 1 1 A 38 38 GLU C C 38 178.301 179.619 -1.318 1
1 358 . 7 1 1 A 38 38 GLU CA C 38 59.321 58.110 1.211 1
1 359 . 7 1 1 A 38 38 GLU CB C 38 29.013 29.503 -0.490 1
1 361 . 7 1 1 A 38 38 GLU N N 38 119.080 119.383 -0.303 1
1 362 . 7 1 1 A 39 39 GLU H H 39 7.540 7.615 -0.075 1
1 363 . 7 1 1 A 39 39 GLU HA H 39 4.048 4.123 -0.075 1
1 368 . 7 1 1 A 39 39 GLU C C 39 179.784 178.845 0.939 1
1 369 . 7 1 1 A 39 39 GLU CA C 39 59.646 59.095 0.551 1
1 370 . 7 1 1 A 39 39 GLU CB C 39 29.409 29.703 -0.294 1
1 372 . 7 1 1 A 39 39 GLU N N 39 121.188 119.477 1.711 1
1 373 . 7 1 1 A 40 40 ILE H H 40 8.634 7.860 0.774 1
1 374 . 7 1 1 A 40 40 ILE HA H 40 3.133 3.445 -0.312 1
1 384 . 7 1 1 A 40 40 ILE C C 40 178.119 177.706 0.413 1
1 385 . 7 1 1 A 40 40 ILE CA C 40 65.462 62.801 2.661 1
1 386 . 7 1 1 A 40 40 ILE CB C 40 37.951 36.747 1.204 1
1 390 . 7 1 1 A 40 40 ILE N N 40 121.126 120.145 0.981 1
1 391 . 7 1 1 A 41 41 ALA H H 41 8.462 8.182 0.280 1
1 392 . 7 1 1 A 41 41 ALA HA H 41 3.713 3.975 -0.262 1
1 396 . 7 1 1 A 41 41 ALA C C 41 178.850 180.204 -1.354 1
1 397 . 7 1 1 A 41 41 ALA CA C 41 56.014 55.560 0.454 1
1 398 . 7 1 1 A 41 41 ALA CB C 41 16.779 18.078 -1.299 1
1 399 . 7 1 1 A 41 41 ALA N N 41 123.029 123.567 -0.538 1
1 400 . 7 1 1 A 42 42 ASN H H 42 8.264 8.458 -0.194 1
1 401 . 7 1 1 A 42 42 ASN HA H 42 4.521 4.479 0.042 1
1 406 . 7 1 1 A 42 42 ASN C C 42 178.220 177.656 0.564 1
1 407 . 7 1 1 A 42 42 ASN CA C 42 56.193 55.748 0.445 1
1 408 . 7 1 1 A 42 42 ASN CB C 42 37.775 37.779 -0.004 1
1 409 . 7 1 1 A 42 42 ASN N N 42 115.462 117.729 -2.267 1
1 411 . 7 1 1 A 43 43 ALA H H 43 8.403 7.709 0.694 1
1 412 . 7 1 1 A 43 43 ALA HA H 43 4.273 4.105 0.168 1
1 416 . 7 1 1 A 43 43 ALA C C 43 180.962 180.063 0.899 1
1 417 . 7 1 1 A 43 43 ALA CA C 43 55.200 54.954 0.246 1
1 418 . 7 1 1 A 43 43 ALA CB C 43 18.478 18.196 0.282 1
1 419 . 7 1 1 A 43 43 ALA N N 43 125.139 122.280 2.859 1
1 420 . 7 1 1 A 44 44 CYS H H 44 8.457 7.714 0.743 1
1 421 . 7 1 1 A 44 44 CYS HA H 44 4.156 4.123 0.033 1
1 424 . 7 1 1 A 44 44 CYS C C 44 176.534 177.120 -0.586 1
1 425 . 7 1 1 A 44 44 CYS CA C 44 64.768 63.685 1.083 1
1 426 . 7 1 1 A 44 44 CYS CB C 44 27.644 26.974 0.670 1
1 427 . 7 1 1 A 44 44 CYS N N 44 116.609 115.925 0.684 1
1 428 . 7 1 1 A 45 45 ASN H H 45 8.346 7.829 0.517 1
1 429 . 7 1 1 A 45 45 ASN HA H 45 4.613 4.515 0.098 1
1 434 . 7 1 1 A 45 45 ASN C C 45 177.631 177.707 -0.076 1
1 435 . 7 1 1 A 45 45 ASN CA C 45 55.723 56.117 -0.394 1
1 436 . 7 1 1 A 45 45 ASN CB C 45 37.526 38.006 -0.480 1
1 437 . 7 1 1 A 45 45 ASN N N 45 117.491 118.474 -0.983 1
1 439 . 7 1 1 A 46 46 ALA H H 46 8.014 7.683 0.331 1
1 440 . 7 1 1 A 46 46 ALA HA H 46 4.200 4.067 0.133 1
1 444 . 7 1 1 A 46 46 ALA C C 46 180.292 179.606 0.686 1
1 445 . 7 1 1 A 46 46 ALA CA C 46 54.805 55.081 -0.276 1
1 446 . 7 1 1 A 46 46 ALA CB C 46 18.283 18.323 -0.040 1
1 447 . 7 1 1 A 46 46 ALA N N 46 120.198 123.520 -3.322 1
1 448 . 7 1 1 A 47 47 VAL H H 47 7.240 8.004 -0.764 1
1 449 . 7 1 1 A 47 47 VAL HA H 47 4.306 3.804 0.502 1
1 457 . 7 1 1 A 47 47 VAL C C 47 177.083 177.216 -0.133 1
1 458 . 7 1 1 A 47 47 VAL CA C 47 63.484 65.249 -1.765 1
1 459 . 7 1 1 A 47 47 VAL CB C 47 31.935 31.551 0.384 1
1 462 . 7 1 1 A 47 47 VAL N N 47 110.165 116.397 -6.232 1
1 463 . 7 1 1 A 48 48 ILE H H 48 7.146 7.169 -0.023 1
1 464 . 7 1 1 A 48 48 ILE HA H 48 4.473 4.321 0.152 1
1 474 . 7 1 1 A 48 48 ILE C C 48 175.966 175.986 -0.020 1
1 475 . 7 1 1 A 48 48 ILE CA C 48 62.055 62.636 -0.581 1
1 476 . 7 1 1 A 48 48 ILE CB C 48 39.444 38.622 0.822 1
1 480 . 7 1 1 A 48 48 ILE N N 48 112.085 116.437 -4.352 1
1 481 . 7 1 1 A 49 49 GLN H H 49 7.671 8.201 -0.530 1
1 482 . 7 1 1 A 49 49 GLN HA H 49 4.254 4.107 0.147 1
1 489 . 7 1 1 A 49 49 GLN C C 49 175.417 175.855 -0.438 1
1 490 . 7 1 1 A 49 49 GLN CA C 49 56.370 56.476 -0.106 1
1 491 . 7 1 1 A 49 49 GLN CB C 49 29.289 28.907 0.382 1
1 493 . 7 1 1 A 49 49 GLN N N 49 123.076 123.288 -0.212 1
1 495 . 7 1 1 A 50 50 LYS H H 50 8.932 8.510 0.422 1
1 496 . 7 1 1 A 50 50 LYS HA H 50 4.760 4.667 0.093 1
1 502 . 7 1 1 A 50 50 LYS C C 50 174.497 174.378 0.119 1
1 503 . 7 1 1 A 50 50 LYS CA C 50 53.341 53.767 -0.426 1
1 504 . 7 1 1 A 50 50 LYS CB C 50 32.860 31.834 1.026 1
1 506 . 7 1 1 A 50 50 LYS N N 50 127.505 127.179 0.326 1
1 507 . 7 1 1 A 51 51 PRO HA H 51 4.328 4.298 0.030 1
1 514 . 7 1 1 A 51 51 PRO CA C 51 64.015 63.726 0.289 1
1 515 . 7 1 1 A 51 51 PRO CB C 51 31.590 31.271 0.319 1
1 518 . 7 1 1 A 52 52 GLY H H 52 8.752 8.779 -0.027 1
1 519 . 7 1 1 A 52 52 GLY HA2 H 52 4.113 3.967 0.146 1
1 520 . 7 1 1 A 52 52 GLY HA3 H 52 3.728 3.968 -0.240 1
1 521 . 7 1 1 A 52 52 GLY C C 52 173.732 173.483 0.249 1
1 522 . 7 1 1 A 52 52 GLY CA C 52 45.646 45.682 -0.036 1
1 523 . 7 1 1 A 53 53 LYS H H 53 7.734 7.579 0.155 1
1 524 . 7 1 1 A 53 53 LYS HA H 53 4.621 4.830 -0.209 1
1 531 . 7 1 1 A 53 53 LYS C C 53 175.681 175.326 0.355 1
1 532 . 7 1 1 A 53 53 LYS CA C 53 54.451 54.134 0.317 1
1 533 . 7 1 1 A 53 53 LYS CB C 53 34.466 35.503 -1.037 1
1 537 . 7 1 1 A 53 53 LYS N N 53 120.205 119.933 0.272 1
1 538 . 7 1 1 A 54 54 LYS H H 54 8.536 8.795 -0.259 1
1 539 . 7 1 1 A 54 54 LYS HA H 54 4.412 5.019 -0.607 1
1 546 . 7 1 1 A 54 54 LYS C C 54 177.022 175.535 1.487 1
1 547 . 7 1 1 A 54 54 LYS CA C 54 55.691 54.751 0.940 1
1 548 . 7 1 1 A 54 54 LYS CB C 54 33.453 35.490 -2.037 1
1 552 . 7 1 1 A 54 54 LYS N N 54 124.424 119.035 5.389 1
1 553 . 7 1 1 A 55 55 LEU H H 55 8.656 8.535 0.121 1
1 554 . 7 1 1 A 55 55 LEU HA H 55 4.407 4.367 0.040 1
1 564 . 7 1 1 A 55 55 LEU C C 55 177.448 176.542 0.906 1
1 565 . 7 1 1 A 55 55 LEU CA C 55 54.670 54.791 -0.121 1
1 566 . 7 1 1 A 55 55 LEU CB C 55 43.243 42.183 1.060 1
1 570 . 7 1 1 A 55 55 LEU N N 55 126.145 124.806 1.339 1
1 571 . 7 1 1 A 56 56 SER H H 56 9.313 8.847 0.466 1
1 572 . 7 1 1 A 56 56 SER HA H 56 4.496 4.748 -0.252 1
1 575 . 7 1 1 A 56 56 SER C C 56 175.226 174.714 0.512 1
1 576 . 7 1 1 A 56 56 SER CA C 56 57.507 57.204 0.303 1
1 577 . 7 1 1 A 56 56 SER CB C 56 64.802 65.681 -0.879 1
1 578 . 7 1 1 A 56 56 SER N N 56 121.790 117.501 4.289 1
1 579 . 7 1 1 A 57 57 ASP H H 57 8.929 9.213 -0.284 1
1 580 . 7 1 1 A 57 57 ASP HA H 57 4.314 4.302 0.012 1
1 583 . 7 1 1 A 57 57 ASP C C 57 177.855 178.209 -0.354 1
1 584 . 7 1 1 A 57 57 ASP CA C 57 57.403 56.803 0.600 1
1 585 . 7 1 1 A 57 57 ASP CB C 57 40.353 40.414 -0.061 1
1 586 . 7 1 1 A 58 58 LEU H H 58 7.824 7.898 -0.074 1
1 587 . 7 1 1 A 58 58 LEU HA H 58 4.194 4.138 0.056 1
1 597 . 7 1 1 A 58 58 LEU C C 58 177.509 178.325 -0.816 1
1 598 . 7 1 1 A 58 58 LEU CA C 58 56.754 57.554 -0.800 1
1 599 . 7 1 1 A 58 58 LEU CB C 58 42.259 41.578 0.681 1
1 603 . 7 1 1 A 58 58 LEU N N 58 117.552 119.853 -2.301 1
1 604 . 7 1 1 A 59 59 GLU H H 59 7.325 7.518 -0.193 1
1 605 . 7 1 1 A 59 59 GLU HA H 59 4.286 4.350 -0.064 1
1 610 . 7 1 1 A 59 59 GLU C C 59 175.661 176.446 -0.785 1
1 611 . 7 1 1 A 59 59 GLU CA C 59 56.370 56.114 0.256 1
1 612 . 7 1 1 A 59 59 GLU CB C 59 32.314 30.406 1.908 1
1 614 . 7 1 1 A 59 59 GLU N N 59 115.631 116.562 -0.931 1
1 615 . 7 1 1 A 60 60 ARG H H 60 7.408 8.125 -0.717 1
1 616 . 7 1 1 A 60 60 ARG HA H 60 3.948 4.640 -0.692 1
1 623 . 7 1 1 A 60 60 ARG C C 60 175.194 175.610 -0.416 1
1 624 . 7 1 1 A 60 60 ARG CA C 60 57.167 56.557 0.610 1
1 625 . 7 1 1 A 60 60 ARG CB C 60 31.083 30.620 0.463 1
1 628 . 7 1 1 A 60 60 ARG N N 60 118.018 122.525 -4.507 1
1 629 . 7 1 1 A 61 61 VAL H H 61 10.175 9.316 0.859 1
1 630 . 7 1 1 A 61 61 VAL HA H 61 3.462 4.547 -1.085 1
1 638 . 7 1 1 A 61 61 VAL C C 61 175.681 176.267 -0.586 1
1 639 . 7 1 1 A 61 61 VAL CA C 61 65.077 61.839 3.238 1
1 640 . 7 1 1 A 61 61 VAL CB C 61 31.702 32.404 -0.702 1
1 643 . 7 1 1 A 61 61 VAL N N 61 128.658 127.100 1.558 1
1 644 . 7 1 1 A 62 62 THR H H 62 6.270 8.768 -2.498 1
1 645 . 7 1 1 A 62 62 THR HA H 62 4.780 4.763 0.017 1
1 650 . 7 1 1 A 62 62 THR C C 62 175.064 176.379 -1.315 1
1 651 . 7 1 1 A 62 62 THR CA C 62 58.600 60.474 -1.874 1
1 652 . 7 1 1 A 62 62 THR CB C 62 72.355 71.278 1.077 1
1 654 . 7 1 1 A 62 62 THR N N 62 114.178 120.882 -6.704 1
1 655 . 7 1 1 A 63 63 SER HA H 63 3.869 4.142 -0.273 1
1 658 . 7 1 1 A 63 63 SER C C 63 176.656 176.834 -0.178 1
1 659 . 7 1 1 A 63 63 SER CA C 63 61.433 61.621 -0.188 1
1 660 . 7 1 1 A 63 63 SER CB C 63 62.197 62.440 -0.243 1
1 661 . 7 1 1 A 64 64 LEU H H 64 8.062 8.123 -0.061 1
1 662 . 7 1 1 A 64 64 LEU HA H 64 4.367 4.210 0.157 1
1 672 . 7 1 1 A 64 64 LEU C C 64 178.789 179.173 -0.384 1
1 673 . 7 1 1 A 64 64 LEU CA C 64 57.964 57.631 0.333 1
1 674 . 7 1 1 A 64 64 LEU CB C 64 42.052 41.727 0.325 1
1 678 . 7 1 1 A 64 64 LEU N N 64 123.294 125.853 -2.559 1
1 679 . 7 1 1 A 65 65 LYS H H 65 7.524 7.780 -0.256 1
1 680 . 7 1 1 A 65 65 LYS HA H 65 4.292 4.088 0.204 1
1 689 . 7 1 1 A 65 65 LYS C C 65 180.779 179.705 1.074 1
1 690 . 7 1 1 A 65 65 LYS CA C 65 60.266 59.661 0.605 1
1 691 . 7 1 1 A 65 65 LYS CB C 65 32.808 32.507 0.301 1
1 695 . 7 1 1 A 65 65 LYS N N 65 119.262 119.510 -0.248 1
1 696 . 7 1 1 A 66 66 VAL H H 66 8.290 7.842 0.448 1
1 697 . 7 1 1 A 66 66 VAL HA H 66 4.075 3.850 0.225 1
1 705 . 7 1 1 A 66 66 VAL C C 66 177.509 177.899 -0.390 1
1 706 . 7 1 1 A 66 66 VAL CA C 66 66.963 66.646 0.317 1
1 707 . 7 1 1 A 66 66 VAL CB C 66 32.419 31.544 0.875 1
1 710 . 7 1 1 A 66 66 VAL N N 66 119.900 120.563 -0.663 1
1 711 . 7 1 1 A 67 67 TYR H H 67 8.893 8.161 0.732 1
1 712 . 7 1 1 A 67 67 TYR HA H 67 3.857 4.184 -0.327 1
1 719 . 7 1 1 A 67 67 TYR C C 67 177.956 178.077 -0.121 1
1 720 . 7 1 1 A 67 67 TYR CA C 67 62.897 61.665 1.232 1
1 721 . 7 1 1 A 67 67 TYR CB C 67 38.326 38.589 -0.263 1
1 726 . 7 1 1 A 67 67 TYR N N 67 120.861 121.145 -0.284 1
1 727 . 7 1 1 A 68 68 ASN H H 68 8.561 8.087 0.474 1
1 728 . 7 1 1 A 68 68 ASN HA H 68 4.545 4.474 0.071 1
1 733 . 7 1 1 A 68 68 ASN C C 68 177.570 178.281 -0.711 1
1 734 . 7 1 1 A 68 68 ASN CA C 68 56.222 56.631 -0.409 1
1 735 . 7 1 1 A 68 68 ASN CB C 68 38.465 38.397 0.068 1
1 736 . 7 1 1 A 68 68 ASN N N 68 117.386 117.228 0.158 1
1 738 . 7 1 1 A 69 69 TRP H H 69 8.655 8.227 0.428 1
1 739 . 7 1 1 A 69 69 TRP HA H 69 4.151 4.356 -0.205 1
1 748 . 7 1 1 A 69 69 TRP C C 69 179.764 178.308 1.456 1
1 749 . 7 1 1 A 69 69 TRP CA C 69 63.194 61.525 1.669 1
1 750 . 7 1 1 A 69 69 TRP CB C 69 29.720 29.386 0.334 1
1 756 . 7 1 1 A 69 69 TRP N N 69 123.454 122.710 0.744 1
1 758 . 7 1 1 A 70 70 PHE H H 70 9.166 8.481 0.685 1
1 759 . 7 1 1 A 70 70 PHE HA H 70 3.745 4.424 -0.679 1
1 767 . 7 1 1 A 70 70 PHE C C 70 177.469 178.390 -0.921 1
1 768 . 7 1 1 A 70 70 PHE CA C 70 62.862 61.724 1.138 1
1 769 . 7 1 1 A 70 70 PHE CB C 70 39.115 38.057 1.058 1
1 775 . 7 1 1 A 70 70 PHE N N 70 120.259 118.573 1.686 1
1 776 . 7 1 1 A 71 71 ALA H H 71 8.169 8.188 -0.019 1
1 777 . 7 1 1 A 71 71 ALA HA H 71 3.868 3.921 -0.053 1
1 781 . 7 1 1 A 71 71 ALA C C 71 180.698 179.669 1.029 1
1 782 . 7 1 1 A 71 71 ALA CA C 71 55.307 55.109 0.198 1
1 783 . 7 1 1 A 71 71 ALA CB C 71 17.697 18.091 -0.394 1
1 784 . 7 1 1 A 71 71 ALA N N 71 120.051 122.265 -2.214 1
1 785 . 7 1 1 A 72 72 ASN H H 72 7.789 7.775 0.014 1
1 786 . 7 1 1 A 72 72 ASN HA H 72 4.280 4.363 -0.083 1
1 791 . 7 1 1 A 72 72 ASN C C 72 177.022 177.607 -0.585 1
1 792 . 7 1 1 A 72 72 ASN CA C 72 56.222 56.103 0.119 1
1 793 . 7 1 1 A 72 72 ASN CB C 72 38.363 38.850 -0.487 1
1 794 . 7 1 1 A 72 72 ASN N N 72 116.515 116.364 0.151 1
1 796 . 7 1 1 A 73 73 ARG H H 73 7.999 7.579 0.420 1
1 797 . 7 1 1 A 73 73 ARG HA H 73 3.416 3.782 -0.366 1
1 805 . 7 1 1 A 73 73 ARG C C 73 178.708 178.871 -0.163 1
1 806 . 7 1 1 A 73 73 ARG CA C 73 57.403 59.129 -1.726 1
1 807 . 7 1 1 A 73 73 ARG CB C 73 28.264 29.277 -1.013 1
1 810 . 7 1 1 A 73 73 ARG N N 73 123.203 119.585 3.618 1
1 812 . 7 1 1 A 74 74 ARG H H 74 8.033 7.922 0.111 1
1 813 . 7 1 1 A 74 74 ARG HA H 74 4.017 4.171 -0.154 1
1 820 . 7 1 1 A 74 74 ARG C C 74 178.850 179.024 -0.174 1
1 821 . 7 1 1 A 74 74 ARG CA C 74 60.414 59.456 0.958 1
1 822 . 7 1 1 A 74 74 ARG CB C 74 31.221 30.013 1.208 1
1 825 . 7 1 1 A 74 74 ARG N N 74 116.187 118.948 -2.761 1
1 826 . 7 1 1 A 75 75 LYS H H 75 7.359 8.100 -0.741 1
1 827 . 7 1 1 A 75 75 LYS HA H 75 4.054 4.038 0.016 1
1 834 . 7 1 1 A 75 75 LYS C C 75 178.301 178.502 -0.201 1
1 835 . 7 1 1 A 75 75 LYS CA C 75 58.908 59.242 -0.334 1
1 836 . 7 1 1 A 75 75 LYS CB C 75 32.463 31.835 0.628 1
1 840 . 7 1 1 A 75 75 LYS N N 75 118.329 118.706 -0.377 1
1 841 . 7 1 1 A 76 76 GLU H H 76 7.769 7.755 0.014 1
1 842 . 7 1 1 A 76 76 GLU HA H 76 4.051 4.022 0.029 1
1 847 . 7 1 1 A 76 76 GLU C C 76 178.261 179.088 -0.827 1
1 848 . 7 1 1 A 76 76 GLU CA C 76 58.200 59.075 -0.875 1
1 849 . 7 1 1 A 76 76 GLU CB C 76 29.841 29.233 0.608 1
1 851 . 7 1 1 A 76 76 GLU N N 76 119.947 119.088 0.859 1
1 852 . 7 1 1 A 77 77 ILE H H 77 7.826 7.788 0.038 1
1 853 . 7 1 1 A 77 77 ILE HA H 77 3.856 3.784 0.072 1
1 863 . 7 1 1 A 77 77 ILE C C 77 177.794 177.712 0.082 1
1 864 . 7 1 1 A 77 77 ILE CA C 77 63.454 64.205 -0.751 1
1 865 . 7 1 1 A 77 77 ILE CB C 77 38.016 37.547 0.469 1
1 869 . 7 1 1 A 77 77 ILE N N 77 119.278 117.625 1.653 1
1 870 . 7 1 1 A 78 78 LYS H H 78 7.802 8.334 -0.532 1
1 871 . 7 1 1 A 78 78 LYS HA H 78 4.196 4.034 0.162 1
1 878 . 7 1 1 A 78 78 LYS C C 78 177.591 178.951 -1.360 1
1 879 . 7 1 1 A 78 78 LYS CA C 78 57.728 59.117 -1.389 1
1 880 . 7 1 1 A 78 78 LYS CB C 78 32.601 32.042 0.559 1
1 884 . 7 1 1 A 78 78 LYS N N 78 122.041 122.332 -0.291 1
1 885 . 7 1 1 A 79 79 ARG H H 79 8.053 8.156 -0.103 1
1 886 . 7 1 1 A 79 79 ARG HA H 79 4.196 4.046 0.150 1
1 891 . 7 1 1 A 79 79 ARG C C 79 177.448 178.436 -0.988 1
1 892 . 7 1 1 A 79 79 ARG CA C 79 57.639 59.263 -1.624 1
1 893 . 7 1 1 A 79 79 ARG CB C 79 30.531 29.811 0.720 1
1 896 . 7 1 1 A 79 79 ARG N N 79 120.496 119.618 0.878 1
1 897 . 7 1 1 A 80 80 ARG H H 80 8.083 7.538 0.545 1
1 898 . 7 1 1 A 80 80 ARG HA H 80 4.193 4.081 0.112 1
1 904 . 7 1 1 A 80 80 ARG C C 80 176.786 178.420 -1.634 1
1 905 . 7 1 1 A 80 80 ARG CA C 80 57.196 58.717 -1.521 1
1 906 . 7 1 1 A 80 80 ARG CB C 80 30.531 29.694 0.837 1
1 909 . 7 1 1 A 80 80 ARG N N 80 120.092 119.170 0.922 1
1 910 . 7 1 1 A 81 81 ALA H H 81 8.062 7.959 0.103 1
1 911 . 7 1 1 A 81 81 ALA HA H 81 4.256 4.091 0.165 1
1 915 . 7 1 1 A 81 81 ALA C C 81 178.013 179.663 -1.650 1
1 916 . 7 1 1 A 81 81 ALA CA C 81 53.141 53.757 -0.616 1
1 917 . 7 1 1 A 81 81 ALA CB C 81 19.003 18.811 0.192 1
1 918 . 7 1 1 A 81 81 ALA N N 81 123.434 122.224 1.210 1
1 919 . 7 1 1 A 82 82 ASN H H 82 8.219 7.837 0.382 1
1 920 . 7 1 1 A 82 82 ASN HA H 82 4.661 4.477 0.184 1
1 925 . 7 1 1 A 82 82 ASN C C 82 175.620 177.076 -1.456 1
1 926 . 7 1 1 A 82 82 ASN CA C 82 53.686 56.283 -2.597 1
1 927 . 7 1 1 A 82 82 ASN CB C 82 38.672 39.825 -1.153 1
1 928 . 7 1 1 A 82 82 ASN N N 82 117.551 117.059 0.492 1
1 930 . 7 1 1 A 83 83 ILE H H 83 7.949 7.735 0.214 1
1 931 . 7 1 1 A 83 83 ILE HA H 83 4.077 4.318 -0.241 1
1 941 . 7 1 1 A 83 83 ILE C C 83 176.291 175.333 0.958 1
1 942 . 7 1 1 A 83 83 ILE CA C 83 61.695 60.871 0.824 1
1 943 . 7 1 1 A 83 83 ILE CB C 83 38.672 36.296 2.376 1
1 947 . 7 1 1 A 83 83 ILE N N 83 120.666 117.504 3.162 1
1 948 . 7 1 1 A 84 84 ALA H H 84 8.184 7.861 0.323 1
1 949 . 7 1 1 A 84 84 ALA HA H 84 4.262 4.485 -0.223 1
1 953 . 7 1 1 A 84 84 ALA C C 84 177.794 176.892 0.902 1
1 954 . 7 1 1 A 84 84 ALA CA C 84 53.005 50.786 2.219 1
1 955 . 7 1 1 A 84 84 ALA CB C 84 18.941 17.644 1.297 1
1 956 . 7 1 1 A 84 84 ALA N N 84 126.306 126.837 -0.531 1
1 957 . 7 1 1 A 85 85 ALA H H 85 8.019 8.036 -0.017 1
1 958 . 7 1 1 A 85 85 ALA HA H 85 4.263 4.035 0.228 1
1 962 . 7 1 1 A 85 85 ALA C C 85 178.143 177.110 1.033 1
1 963 . 7 1 1 A 85 85 ALA CA C 85 52.857 53.137 -0.280 1
1 964 . 7 1 1 A 85 85 ALA CB C 85 19.170 17.682 1.488 1
1 965 . 7 1 1 A 85 85 ALA N N 85 122.320 124.959 -2.639 1
1 966 . 7 1 1 A 86 86 ILE H H 86 7.959 7.886 0.073 1
1 967 . 7 1 1 A 86 86 ILE HA H 86 4.077 3.981 0.096 1
1 977 . 7 1 1 A 86 86 ILE C C 86 176.697 176.776 -0.079 1
1 978 . 7 1 1 A 86 86 ILE CA C 86 61.654 63.947 -2.293 1
1 979 . 7 1 1 A 86 86 ILE CB C 86 38.603 38.161 0.442 1
1 983 . 7 1 1 A 86 86 ILE N N 86 119.762 115.898 3.864 1
1 984 . 7 1 1 A 87 87 LEU H H 87 8.219 7.525 0.694 1
1 985 . 7 1 1 A 87 87 LEU HA H 87 4.340 4.223 0.117 1
1 995 . 7 1 1 A 87 87 LEU C C 87 177.616 176.264 1.352 1
1 996 . 7 1 1 A 87 87 LEU CA C 87 55.425 55.416 0.009 1
1 997 . 7 1 1 A 87 87 LEU CB C 87 42.328 42.474 -0.146 1
1 1001 . 7 1 1 A 87 87 LEU N N 87 125.404 122.673 2.731 1
1 1002 . 7 1 1 A 88 88 GLU H H 88 8.321 8.444 -0.123 1
1 1003 . 7 1 1 A 88 88 GLU HA H 88 4.287 4.765 -0.478 1
1 1008 . 7 1 1 A 88 88 GLU C C 88 176.636 175.269 1.367 1
1 1009 . 7 1 1 A 88 88 GLU CA C 88 56.872 55.483 1.389 1
1 1010 . 7 1 1 A 88 88 GLU CB C 88 30.186 30.281 -0.095 1
1 1012 . 7 1 1 A 88 88 GLU N N 88 121.673 123.166 -1.493 1
1 1013 . 7 1 1 A 89 89 SER H H 89 8.254 8.993 -0.739 1
1 1014 . 7 1 1 A 89 89 SER HA H 89 4.483 5.441 -0.958 1
1 1017 . 7 1 1 A 89 89 SER C C 89 174.693 172.871 1.822 1
1 1018 . 7 1 1 A 89 89 SER CA C 89 58.395 56.605 1.790 1
1 1019 . 7 1 1 A 89 89 SER CB C 89 64.017 66.417 -2.400 1
1 1020 . 7 1 1 A 89 89 SER N N 89 116.276 120.457 -4.181 1
1 1021 . 7 1 1 A 90 90 SER H H 90 8.346 8.624 -0.278 1
1 1022 . 7 1 1 A 90 90 SER HA H 90 4.478 4.922 -0.444 1
1 1024 . 7 1 1 A 90 90 SER C C 90 174.564 174.551 0.013 1
1 1025 . 7 1 1 A 90 90 SER CA C 90 58.525 57.410 1.115 1
1 1026 . 7 1 1 A 90 90 SER CB C 90 64.129 66.615 -2.486 1
1 1027 . 7 1 1 A 90 90 SER N N 90 117.689 118.044 -0.355 1
1 1028 . 7 1 1 A 91 91 GLY H H 91 8.213 8.716 -0.503 1
1 1029 . 7 1 1 A 91 91 GLY HA2 H 91 4.112 3.869 0.243 1
1 1030 . 7 1 1 A 91 91 GLY HA3 H 91 4.112 3.869 0.243 1
1 1031 . 7 1 1 A 91 91 GLY C C 91 171.803 174.402 -2.599 1
1 1032 . 7 1 1 A 91 91 GLY CA C 91 44.743 46.970 -2.227 1
1 1033 . 7 1 1 A 91 91 GLY N N 91 110.570 113.038 -2.468 1
1 1034 . 7 1 1 A 92 92 PRO HA H 92 4.530 4.566 -0.036 1
1 1035 . 7 1 1 A 93 93 SER HA H 93 4.498 4.311 0.187 1
1 1037 . 7 1 1 A 93 93 SER C C 93 173.981 174.358 -0.377 1
1 1038 . 7 1 1 A 93 93 SER CA C 93 57.378 59.172 -1.794 1
1 1039 . 7 1 1 A 93 93 SER CB C 93 58.505 63.383 -4.878 1
1 1040 . 7 1 1 A 94 94 SER H H 94 8.032 8.580 -0.548 1
1 1041 . 7 1 1 A 94 94 SER HA H 94 4.498 5.101 -0.603 1
1 1043 . 7 1 1 A 94 94 SER C C 94 173.955 173.451 0.504 1
1 1044 . 7 1 1 A 94 94 SER CA C 94 58.436 57.262 1.174 1
1 1045 . 7 1 1 A 94 94 SER CB C 94 64.017 65.847 -1.830 1
1 1046 . 7 1 1 A 94 94 SER N N 94 116.327 116.087 0.240 1
1 1 . 8 1 1 A 11 11 ARG HA H 11 4.442 4.531 -0.089 1
1 6 . 8 1 1 A 11 11 ARG C C 11 175.365 175.274 0.091 1
1 7 . 8 1 1 A 11 11 ARG CA C 11 55.738 57.320 -1.582 1
1 8 . 8 1 1 A 11 11 ARG CB C 11 31.419 32.545 -1.126 1
1 11 . 8 1 1 A 12 12 PHE H H 12 8.430 7.875 0.555 1
1 12 . 8 1 1 A 12 12 PHE HA H 12 4.481 4.762 -0.281 1
1 20 . 8 1 1 A 12 12 PHE C C 12 174.869 173.732 1.137 1
1 21 . 8 1 1 A 12 12 PHE CA C 12 58.525 56.367 2.158 1
1 22 . 8 1 1 A 12 12 PHE CB C 12 39.955 42.873 -2.918 1
1 28 . 8 1 1 A 12 12 PHE N N 12 123.637 118.192 5.445 1
1 29 . 8 1 1 A 13 13 THR H H 13 7.543 7.254 0.289 1
1 30 . 8 1 1 A 13 13 THR HA H 13 4.216 4.908 -0.692 1
1 35 . 8 1 1 A 13 13 THR C C 13 172.757 171.725 1.032 1
1 36 . 8 1 1 A 13 13 THR CA C 13 60.703 59.252 1.451 1
1 37 . 8 1 1 A 13 13 THR CB C 13 70.578 71.668 -1.090 1
1 39 . 8 1 1 A 13 13 THR N N 13 122.237 117.020 5.217 1
1 40 . 8 1 1 A 14 14 TRP H H 14 8.427 8.711 -0.284 1
1 41 . 8 1 1 A 14 14 TRP HA H 14 4.195 5.262 -1.067 1
1 50 . 8 1 1 A 14 14 TRP C C 14 177.225 176.070 1.155 1
1 51 . 8 1 1 A 14 14 TRP CA C 14 57.137 55.617 1.520 1
1 52 . 8 1 1 A 14 14 TRP CB C 14 29.919 31.991 -2.072 1
1 58 . 8 1 1 A 14 14 TRP N N 14 125.363 125.404 -0.041 1
1 60 . 8 1 1 A 15 15 ARG H H 15 8.790 9.315 -0.525 1
1 61 . 8 1 1 A 15 15 ARG HA H 15 4.436 4.602 -0.166 1
1 67 . 8 1 1 A 15 15 ARG C C 15 176.254 177.830 -1.576 1
1 68 . 8 1 1 A 15 15 ARG CA C 15 54.848 55.118 -0.270 1
1 69 . 8 1 1 A 15 15 ARG CB C 15 30.217 31.740 -1.523 1
1 72 . 8 1 1 A 15 15 ARG N N 15 124.453 123.320 1.133 1
1 73 . 8 1 1 A 16 16 LYS H H 16 7.990 9.044 -1.054 1
1 74 . 8 1 1 A 16 16 LYS HA H 16 3.949 3.929 0.020 1
1 81 . 8 1 1 A 16 16 LYS C C 16 179.133 178.213 0.920 1
1 82 . 8 1 1 A 16 16 LYS CA C 16 60.206 59.486 0.720 1
1 83 . 8 1 1 A 16 16 LYS CB C 16 32.102 32.230 -0.128 1
1 87 . 8 1 1 A 16 16 LYS N N 16 120.654 124.259 -3.605 1
1 88 . 8 1 1 A 17 17 GLU H H 17 10.775 8.155 2.620 1
1 89 . 8 1 1 A 17 17 GLU HA H 17 4.126 4.026 0.100 1
1 94 . 8 1 1 A 17 17 GLU C C 17 179.581 179.085 0.496 1
1 95 . 8 1 1 A 17 17 GLU CA C 17 60.262 59.430 0.832 1
1 96 . 8 1 1 A 17 17 GLU CB C 17 28.944 29.664 -0.720 1
1 98 . 8 1 1 A 17 17 GLU N N 17 119.914 119.114 0.800 1
1 99 . 8 1 1 A 18 18 CYS H H 18 7.314 8.342 -1.028 1
1 100 . 8 1 1 A 18 18 CYS HA H 18 4.166 4.263 -0.097 1
1 103 . 8 1 1 A 18 18 CYS C C 18 176.250 177.456 -1.206 1
1 104 . 8 1 1 A 18 18 CYS CA C 18 61.093 63.015 -1.922 1
1 105 . 8 1 1 A 18 18 CYS CB C 18 27.636 27.024 0.612 1
1 106 . 8 1 1 A 18 18 CYS N N 18 115.339 118.963 -3.624 1
1 107 . 8 1 1 A 19 19 LEU H H 19 7.975 8.394 -0.419 1
1 108 . 8 1 1 A 19 19 LEU HA H 19 3.365 3.518 -0.153 1
1 118 . 8 1 1 A 19 19 LEU C C 19 178.119 179.099 -0.980 1
1 119 . 8 1 1 A 19 19 LEU CA C 19 58.084 57.565 0.519 1
1 120 . 8 1 1 A 19 19 LEU CB C 19 40.713 40.967 -0.254 1
1 124 . 8 1 1 A 19 19 LEU N N 19 120.346 122.884 -2.538 1
1 125 . 8 1 1 A 20 20 ALA H H 20 7.481 7.559 -0.078 1
1 126 . 8 1 1 A 20 20 ALA HA H 20 4.079 4.015 0.064 1
1 130 . 8 1 1 A 20 20 ALA C C 20 180.800 180.471 0.329 1
1 131 . 8 1 1 A 20 20 ALA CA C 20 55.172 55.014 0.158 1
1 132 . 8 1 1 A 20 20 ALA CB C 20 17.975 18.175 -0.200 1
1 133 . 8 1 1 A 20 20 ALA N N 20 119.101 122.397 -3.296 1
1 134 . 8 1 1 A 21 21 VAL H H 21 6.932 7.450 -0.518 1
1 135 . 8 1 1 A 21 21 VAL HA H 21 3.752 3.451 0.301 1
1 143 . 8 1 1 A 21 21 VAL C C 21 178.850 177.967 0.883 1
1 144 . 8 1 1 A 21 21 VAL CA C 21 66.018 67.205 -1.187 1
1 145 . 8 1 1 A 21 21 VAL CB C 21 32.168 31.399 0.769 1
1 148 . 8 1 1 A 21 21 VAL N N 21 118.965 118.092 0.873 1
1 149 . 8 1 1 A 22 22 MET H H 22 7.925 7.679 0.246 1
1 150 . 8 1 1 A 22 22 MET HA H 22 3.894 4.081 -0.187 1
1 158 . 8 1 1 A 22 22 MET C C 22 177.997 178.699 -0.702 1
1 159 . 8 1 1 A 22 22 MET CA C 22 60.060 58.882 1.178 1
1 160 . 8 1 1 A 22 22 MET CB C 22 30.494 31.935 -1.441 1
1 163 . 8 1 1 A 22 22 MET N N 22 118.668 117.200 1.468 1
1 164 . 8 1 1 A 23 23 GLU H H 23 8.452 7.522 0.930 1
1 165 . 8 1 1 A 23 23 GLU HA H 23 4.048 4.069 -0.021 1
1 170 . 8 1 1 A 23 23 GLU C C 23 178.809 178.898 -0.089 1
1 171 . 8 1 1 A 23 23 GLU CA C 23 59.676 59.416 0.260 1
1 172 . 8 1 1 A 23 23 GLU CB C 23 29.289 29.682 -0.393 1
1 174 . 8 1 1 A 23 23 GLU N N 23 118.239 119.308 -1.069 1
1 175 . 8 1 1 A 24 24 SER H H 24 7.431 7.497 -0.066 1
1 176 . 8 1 1 A 24 24 SER HA H 24 4.279 4.236 0.043 1
1 179 . 8 1 1 A 24 24 SER C C 24 177.916 176.932 0.984 1
1 180 . 8 1 1 A 24 24 SER CA C 24 61.785 61.605 0.180 1
1 181 . 8 1 1 A 24 24 SER CB C 24 62.616 63.230 -0.614 1
1 182 . 8 1 1 A 24 24 SER N N 24 113.792 115.278 -1.486 1
1 183 . 8 1 1 A 25 25 TYR H H 25 7.845 7.815 0.030 1
1 184 . 8 1 1 A 25 25 TYR HA H 25 4.354 4.314 0.040 1
1 191 . 8 1 1 A 25 25 TYR C C 25 178.789 178.940 -0.151 1
1 192 . 8 1 1 A 25 25 TYR CA C 25 63.193 60.697 2.496 1
1 193 . 8 1 1 A 25 25 TYR CB C 25 38.706 38.297 0.409 1
1 198 . 8 1 1 A 25 25 TYR N N 25 120.184 119.093 1.091 1
1 199 . 8 1 1 A 26 26 PHE H H 26 9.279 8.429 0.850 1
1 200 . 8 1 1 A 26 26 PHE HA H 26 4.237 4.786 -0.549 1
1 208 . 8 1 1 A 26 26 PHE C C 26 175.885 178.020 -2.135 1
1 209 . 8 1 1 A 26 26 PHE CA C 26 62.008 61.505 0.503 1
1 210 . 8 1 1 A 26 26 PHE CB C 26 39.072 38.959 0.113 1
1 216 . 8 1 1 A 26 26 PHE N N 26 123.634 120.658 2.976 1
1 217 . 8 1 1 A 27 27 ASN H H 27 7.807 8.722 -0.915 1
1 218 . 8 1 1 A 27 27 ASN HA H 27 4.409 4.517 -0.108 1
1 223 . 8 1 1 A 27 27 ASN C C 27 176.108 177.226 -1.118 1
1 224 . 8 1 1 A 27 27 ASN CA C 27 55.307 56.323 -1.016 1
1 225 . 8 1 1 A 27 27 ASN CB C 27 38.810 38.016 0.794 1
1 226 . 8 1 1 A 27 27 ASN N N 27 112.896 117.253 -4.357 1
1 228 . 8 1 1 A 28 28 GLU H H 28 7.431 8.347 -0.916 1
1 229 . 8 1 1 A 28 28 GLU HA H 28 4.274 4.340 -0.066 1
1 234 . 8 1 1 A 28 28 GLU C C 28 176.880 176.423 0.457 1
1 235 . 8 1 1 A 28 28 GLU CA C 28 57.875 57.793 0.082 1
1 236 . 8 1 1 A 28 28 GLU CB C 28 30.965 29.896 1.069 1
1 238 . 8 1 1 A 28 28 GLU N N 28 117.899 114.733 3.166 1
1 239 . 8 1 1 A 29 29 ASN H H 29 7.950 7.906 0.044 1
1 240 . 8 1 1 A 29 29 ASN HA H 29 4.562 4.964 -0.402 1
1 245 . 8 1 1 A 29 29 ASN C C 29 174.036 174.861 -0.825 1
1 246 . 8 1 1 A 29 29 ASN CA C 29 53.654 52.897 0.757 1
1 247 . 8 1 1 A 29 29 ASN CB C 29 39.361 40.744 -1.383 1
1 248 . 8 1 1 A 29 29 ASN N N 29 116.656 117.423 -0.767 1
1 250 . 8 1 1 A 30 30 GLN H H 30 8.658 8.331 0.327 1
1 251 . 8 1 1 A 30 30 GLN HA H 30 3.848 3.109 0.739 1
1 258 . 8 1 1 A 30 30 GLN C C 30 174.503 175.494 -0.991 1
1 259 . 8 1 1 A 30 30 GLN CA C 30 57.336 58.368 -1.032 1
1 260 . 8 1 1 A 30 30 GLN CB C 30 27.978 28.997 -1.019 1
1 262 . 8 1 1 A 30 30 GLN N N 30 122.486 123.390 -0.904 1
1 264 . 8 1 1 A 31 31 TYR H H 31 8.181 7.747 0.434 1
1 265 . 8 1 1 A 31 31 TYR HA H 31 4.769 5.155 -0.386 1
1 272 . 8 1 1 A 31 31 TYR C C 31 172.816 173.408 -0.592 1
1 273 . 8 1 1 A 31 31 TYR CA C 31 55.409 54.359 1.050 1
1 274 . 8 1 1 A 31 31 TYR CB C 31 38.938 38.978 -0.040 1
1 279 . 8 1 1 A 31 31 TYR N N 31 116.012 117.465 -1.453 1
1 280 . 8 1 1 A 32 32 PRO HA H 32 4.320 4.576 -0.256 1
1 287 . 8 1 1 A 32 32 PRO C C 32 177.530 176.928 0.602 1
1 288 . 8 1 1 A 32 32 PRO CA C 32 63.041 62.650 0.391 1
1 289 . 8 1 1 A 32 32 PRO CB C 32 31.052 31.769 -0.717 1
1 292 . 8 1 1 A 33 33 ASP H H 33 8.439 8.467 -0.028 1
1 293 . 8 1 1 A 33 33 ASP HA H 33 4.475 4.640 -0.165 1
1 296 . 8 1 1 A 33 33 ASP C C 33 175.397 177.515 -2.118 1
1 297 . 8 1 1 A 33 33 ASP CA C 33 52.562 54.332 -1.770 1
1 298 . 8 1 1 A 33 33 ASP CB C 33 40.363 41.861 -1.498 1
1 299 . 8 1 1 A 33 33 ASP N N 33 125.278 122.200 3.078 1
1 300 . 8 1 1 A 34 34 GLU H H 34 8.644 9.051 -0.407 1
1 301 . 8 1 1 A 34 34 GLU HA H 34 3.613 3.882 -0.269 1
1 306 . 8 1 1 A 34 34 GLU C C 34 178.261 178.258 0.003 1
1 307 . 8 1 1 A 34 34 GLU CA C 34 61.565 59.634 1.931 1
1 308 . 8 1 1 A 34 34 GLU CB C 34 29.289 29.199 0.090 1
1 310 . 8 1 1 A 34 34 GLU N N 34 118.756 123.000 -4.244 1
1 311 . 8 1 1 A 35 35 ALA H H 35 8.121 8.176 -0.055 1
1 312 . 8 1 1 A 35 35 ALA HA H 35 4.155 4.069 0.086 1
1 316 . 8 1 1 A 35 35 ALA C C 35 181.307 179.622 1.685 1
1 317 . 8 1 1 A 35 35 ALA CA C 35 54.953 55.204 -0.251 1
1 318 . 8 1 1 A 35 35 ALA CB C 35 17.975 18.282 -0.307 1
1 319 . 8 1 1 A 35 35 ALA N N 35 121.196 121.514 -0.318 1
1 320 . 8 1 1 A 36 36 LYS H H 36 8.448 7.927 0.521 1
1 321 . 8 1 1 A 36 36 LYS HA H 36 4.157 4.004 0.153 1
1 330 . 8 1 1 A 36 36 LYS C C 36 178.769 178.559 0.210 1
1 331 . 8 1 1 A 36 36 LYS CA C 36 56.576 59.727 -3.151 1
1 332 . 8 1 1 A 36 36 LYS CB C 36 29.689 32.310 -2.621 1
1 336 . 8 1 1 A 36 36 LYS N N 36 121.690 118.349 3.341 1
1 337 . 8 1 1 A 37 37 ARG H H 37 8.977 8.020 0.957 1
1 338 . 8 1 1 A 37 37 ARG HA H 37 3.711 3.862 -0.151 1
1 345 . 8 1 1 A 37 37 ARG C C 37 178.444 178.990 -0.546 1
1 346 . 8 1 1 A 37 37 ARG CA C 37 61.131 59.515 1.616 1
1 347 . 8 1 1 A 37 37 ARG CB C 37 30.941 29.813 1.128 1
1 350 . 8 1 1 A 37 37 ARG N N 37 117.588 118.846 -1.258 1
1 351 . 8 1 1 A 38 38 GLU H H 38 7.750 7.821 -0.071 1
1 352 . 8 1 1 A 38 38 GLU HA H 38 4.083 4.171 -0.088 1
1 357 . 8 1 1 A 38 38 GLU C C 38 178.301 179.563 -1.262 1
1 358 . 8 1 1 A 38 38 GLU CA C 38 59.321 57.424 1.897 1
1 359 . 8 1 1 A 38 38 GLU CB C 38 29.013 29.582 -0.569 1
1 361 . 8 1 1 A 38 38 GLU N N 38 119.080 119.429 -0.349 1
1 362 . 8 1 1 A 39 39 GLU H H 39 7.540 7.800 -0.260 1
1 363 . 8 1 1 A 39 39 GLU HA H 39 4.048 4.100 -0.052 1
1 368 . 8 1 1 A 39 39 GLU C C 39 179.784 178.783 1.001 1
1 369 . 8 1 1 A 39 39 GLU CA C 39 59.646 59.041 0.605 1
1 370 . 8 1 1 A 39 39 GLU CB C 39 29.409 29.691 -0.282 1
1 372 . 8 1 1 A 39 39 GLU N N 39 121.188 119.597 1.591 1
1 373 . 8 1 1 A 40 40 ILE H H 40 8.634 7.834 0.800 1
1 374 . 8 1 1 A 40 40 ILE HA H 40 3.133 3.343 -0.210 1
1 384 . 8 1 1 A 40 40 ILE C C 40 178.119 177.657 0.462 1
1 385 . 8 1 1 A 40 40 ILE CA C 40 65.462 62.838 2.624 1
1 386 . 8 1 1 A 40 40 ILE CB C 40 37.951 36.677 1.274 1
1 390 . 8 1 1 A 40 40 ILE N N 40 121.126 120.051 1.075 1
1 391 . 8 1 1 A 41 41 ALA H H 41 8.462 7.880 0.582 1
1 392 . 8 1 1 A 41 41 ALA HA H 41 3.713 4.011 -0.298 1
1 396 . 8 1 1 A 41 41 ALA C C 41 178.850 179.937 -1.087 1
1 397 . 8 1 1 A 41 41 ALA CA C 41 56.014 55.323 0.691 1
1 398 . 8 1 1 A 41 41 ALA CB C 41 16.779 17.694 -0.915 1
1 399 . 8 1 1 A 41 41 ALA N N 41 123.029 123.664 -0.635 1
1 400 . 8 1 1 A 42 42 ASN H H 42 8.264 8.558 -0.294 1
1 401 . 8 1 1 A 42 42 ASN HA H 42 4.521 4.504 0.017 1
1 406 . 8 1 1 A 42 42 ASN C C 42 178.220 177.544 0.676 1
1 407 . 8 1 1 A 42 42 ASN CA C 42 56.193 55.700 0.493 1
1 408 . 8 1 1 A 42 42 ASN CB C 42 37.775 37.734 0.041 1
1 409 . 8 1 1 A 42 42 ASN N N 42 115.462 118.047 -2.585 1
1 411 . 8 1 1 A 43 43 ALA H H 43 8.403 7.602 0.801 1
1 412 . 8 1 1 A 43 43 ALA HA H 43 4.273 4.117 0.156 1
1 416 . 8 1 1 A 43 43 ALA C C 43 180.962 180.143 0.819 1
1 417 . 8 1 1 A 43 43 ALA CA C 43 55.200 54.961 0.239 1
1 418 . 8 1 1 A 43 43 ALA CB C 43 18.478 18.091 0.387 1
1 419 . 8 1 1 A 43 43 ALA N N 43 125.139 122.361 2.778 1
1 420 . 8 1 1 A 44 44 CYS H H 44 8.457 7.681 0.776 1
1 421 . 8 1 1 A 44 44 CYS HA H 44 4.156 4.127 0.029 1
1 424 . 8 1 1 A 44 44 CYS C C 44 176.534 177.039 -0.505 1
1 425 . 8 1 1 A 44 44 CYS CA C 44 64.768 63.662 1.106 1
1 426 . 8 1 1 A 44 44 CYS CB C 44 27.644 26.993 0.651 1
1 427 . 8 1 1 A 44 44 CYS N N 44 116.609 115.911 0.698 1
1 428 . 8 1 1 A 45 45 ASN H H 45 8.346 7.882 0.464 1
1 429 . 8 1 1 A 45 45 ASN HA H 45 4.613 4.515 0.098 1
1 434 . 8 1 1 A 45 45 ASN C C 45 177.631 177.758 -0.127 1
1 435 . 8 1 1 A 45 45 ASN CA C 45 55.723 56.117 -0.394 1
1 436 . 8 1 1 A 45 45 ASN CB C 45 37.526 37.979 -0.453 1
1 437 . 8 1 1 A 45 45 ASN N N 45 117.491 118.462 -0.971 1
1 439 . 8 1 1 A 46 46 ALA H H 46 8.014 7.595 0.419 1
1 440 . 8 1 1 A 46 46 ALA HA H 46 4.200 4.079 0.121 1
1 444 . 8 1 1 A 46 46 ALA C C 46 180.292 179.629 0.663 1
1 445 . 8 1 1 A 46 46 ALA CA C 46 54.805 55.130 -0.325 1
1 446 . 8 1 1 A 46 46 ALA CB C 46 18.283 18.369 -0.086 1
1 447 . 8 1 1 A 46 46 ALA N N 46 120.198 123.404 -3.206 1
1 448 . 8 1 1 A 47 47 VAL H H 47 7.240 7.993 -0.753 1
1 449 . 8 1 1 A 47 47 VAL HA H 47 4.306 3.804 0.502 1
1 457 . 8 1 1 A 47 47 VAL C C 47 177.083 177.346 -0.263 1
1 458 . 8 1 1 A 47 47 VAL CA C 47 63.484 65.511 -2.027 1
1 459 . 8 1 1 A 47 47 VAL CB C 47 31.935 31.532 0.403 1
1 462 . 8 1 1 A 47 47 VAL N N 47 110.165 116.466 -6.301 1
1 463 . 8 1 1 A 48 48 ILE H H 48 7.146 7.407 -0.261 1
1 464 . 8 1 1 A 48 48 ILE HA H 48 4.473 4.195 0.278 1
1 474 . 8 1 1 A 48 48 ILE C C 48 175.966 175.994 -0.028 1
1 475 . 8 1 1 A 48 48 ILE CA C 48 62.055 63.228 -1.173 1
1 476 . 8 1 1 A 48 48 ILE CB C 48 39.444 38.276 1.168 1
1 480 . 8 1 1 A 48 48 ILE N N 48 112.085 116.821 -4.736 1
1 481 . 8 1 1 A 49 49 GLN H H 49 7.671 8.085 -0.414 1
1 482 . 8 1 1 A 49 49 GLN HA H 49 4.254 4.095 0.159 1
1 489 . 8 1 1 A 49 49 GLN C C 49 175.417 175.295 0.122 1
1 490 . 8 1 1 A 49 49 GLN CA C 49 56.370 56.233 0.137 1
1 491 . 8 1 1 A 49 49 GLN CB C 49 29.289 29.074 0.215 1
1 493 . 8 1 1 A 49 49 GLN N N 49 123.076 123.502 -0.426 1
1 495 . 8 1 1 A 50 50 LYS H H 50 8.932 8.521 0.411 1
1 496 . 8 1 1 A 50 50 LYS HA H 50 4.760 4.751 0.009 1
1 502 . 8 1 1 A 50 50 LYS C C 50 174.497 174.123 0.374 1
1 503 . 8 1 1 A 50 50 LYS CA C 50 53.341 52.940 0.401 1
1 504 . 8 1 1 A 50 50 LYS CB C 50 32.860 33.639 -0.779 1
1 506 . 8 1 1 A 50 50 LYS N N 50 127.505 126.357 1.148 1
1 507 . 8 1 1 A 51 51 PRO HA H 51 4.328 4.298 0.030 1
1 514 . 8 1 1 A 51 51 PRO CA C 51 64.015 63.728 0.287 1
1 515 . 8 1 1 A 51 51 PRO CB C 51 31.590 31.282 0.308 1
1 518 . 8 1 1 A 52 52 GLY H H 52 8.752 8.778 -0.026 1
1 519 . 8 1 1 A 52 52 GLY HA2 H 52 4.113 3.952 0.161 1
1 520 . 8 1 1 A 52 52 GLY HA3 H 52 3.728 3.952 -0.224 1
1 521 . 8 1 1 A 52 52 GLY C C 52 173.732 173.535 0.197 1
1 522 . 8 1 1 A 52 52 GLY CA C 52 45.646 45.627 0.019 1
1 523 . 8 1 1 A 53 53 LYS H H 53 7.734 7.415 0.319 1
1 524 . 8 1 1 A 53 53 LYS HA H 53 4.621 4.695 -0.074 1
1 531 . 8 1 1 A 53 53 LYS C C 53 175.681 175.338 0.343 1
1 532 . 8 1 1 A 53 53 LYS CA C 53 54.451 54.802 -0.351 1
1 533 . 8 1 1 A 53 53 LYS CB C 53 34.466 34.913 -0.447 1
1 537 . 8 1 1 A 53 53 LYS N N 53 120.205 121.247 -1.042 1
1 538 . 8 1 1 A 54 54 LYS H H 54 8.536 8.461 0.075 1
1 539 . 8 1 1 A 54 54 LYS HA H 54 4.412 4.606 -0.194 1
1 546 . 8 1 1 A 54 54 LYS C C 54 177.022 176.940 0.082 1
1 547 . 8 1 1 A 54 54 LYS CA C 54 55.691 56.215 -0.524 1
1 548 . 8 1 1 A 54 54 LYS CB C 54 33.453 33.383 0.070 1
1 552 . 8 1 1 A 54 54 LYS N N 54 124.424 128.116 -3.692 1
1 553 . 8 1 1 A 55 55 LEU H H 55 8.656 8.529 0.127 1
1 554 . 8 1 1 A 55 55 LEU HA H 55 4.407 4.287 0.120 1
1 564 . 8 1 1 A 55 55 LEU C C 55 177.448 177.511 -0.063 1
1 565 . 8 1 1 A 55 55 LEU CA C 55 54.670 55.049 -0.379 1
1 566 . 8 1 1 A 55 55 LEU CB C 55 43.243 42.350 0.893 1
1 570 . 8 1 1 A 55 55 LEU N N 55 126.145 126.925 -0.780 1
1 571 . 8 1 1 A 56 56 SER H H 56 9.313 8.625 0.688 1
1 572 . 8 1 1 A 56 56 SER HA H 56 4.496 5.029 -0.533 1
1 575 . 8 1 1 A 56 56 SER C C 56 175.226 175.496 -0.270 1
1 576 . 8 1 1 A 56 56 SER CA C 56 57.507 56.624 0.883 1
1 577 . 8 1 1 A 56 56 SER CB C 56 64.802 64.846 -0.044 1
1 578 . 8 1 1 A 56 56 SER N N 56 121.790 116.579 5.211 1
1 579 . 8 1 1 A 57 57 ASP H H 57 8.929 9.163 -0.234 1
1 580 . 8 1 1 A 57 57 ASP HA H 57 4.314 4.315 -0.001 1
1 583 . 8 1 1 A 57 57 ASP C C 57 177.855 178.081 -0.226 1
1 584 . 8 1 1 A 57 57 ASP CA C 57 57.403 56.690 0.713 1
1 585 . 8 1 1 A 57 57 ASP CB C 57 40.353 40.422 -0.069 1
1 586 . 8 1 1 A 58 58 LEU H H 58 7.824 7.860 -0.036 1
1 587 . 8 1 1 A 58 58 LEU HA H 58 4.194 4.223 -0.029 1
1 597 . 8 1 1 A 58 58 LEU C C 58 177.509 178.865 -1.356 1
1 598 . 8 1 1 A 58 58 LEU CA C 58 56.754 57.147 -0.393 1
1 599 . 8 1 1 A 58 58 LEU CB C 58 42.259 42.006 0.253 1
1 603 . 8 1 1 A 58 58 LEU N N 58 117.552 119.489 -1.937 1
1 604 . 8 1 1 A 59 59 GLU H H 59 7.325 7.545 -0.220 1
1 605 . 8 1 1 A 59 59 GLU HA H 59 4.286 4.322 -0.036 1
1 610 . 8 1 1 A 59 59 GLU C C 59 175.661 176.624 -0.963 1
1 611 . 8 1 1 A 59 59 GLU CA C 59 56.370 56.789 -0.419 1
1 612 . 8 1 1 A 59 59 GLU CB C 59 32.314 30.170 2.144 1
1 614 . 8 1 1 A 59 59 GLU N N 59 115.631 116.732 -1.101 1
1 615 . 8 1 1 A 60 60 ARG H H 60 7.408 7.801 -0.393 1
1 616 . 8 1 1 A 60 60 ARG HA H 60 3.948 4.646 -0.698 1
1 623 . 8 1 1 A 60 60 ARG C C 60 175.194 175.733 -0.539 1
1 624 . 8 1 1 A 60 60 ARG CA C 60 57.167 56.446 0.721 1
1 625 . 8 1 1 A 60 60 ARG CB C 60 31.083 30.700 0.383 1
1 628 . 8 1 1 A 60 60 ARG N N 60 118.018 122.608 -4.590 1
1 629 . 8 1 1 A 61 61 VAL H H 61 10.175 9.151 1.024 1
1 630 . 8 1 1 A 61 61 VAL HA H 61 3.462 4.252 -0.790 1
1 638 . 8 1 1 A 61 61 VAL C C 61 175.681 176.219 -0.538 1
1 639 . 8 1 1 A 61 61 VAL CA C 61 65.077 62.776 2.301 1
1 640 . 8 1 1 A 61 61 VAL CB C 61 31.702 31.609 0.093 1
1 643 . 8 1 1 A 61 61 VAL N N 61 128.658 128.105 0.553 1
1 644 . 8 1 1 A 62 62 THR H H 62 6.270 8.553 -2.283 1
1 645 . 8 1 1 A 62 62 THR HA H 62 4.780 4.783 -0.003 1
1 650 . 8 1 1 A 62 62 THR C C 62 175.064 176.285 -1.221 1
1 651 . 8 1 1 A 62 62 THR CA C 62 58.600 60.159 -1.559 1
1 652 . 8 1 1 A 62 62 THR CB C 62 72.355 71.705 0.650 1
1 654 . 8 1 1 A 62 62 THR N N 62 114.178 120.053 -5.875 1
1 655 . 8 1 1 A 63 63 SER HA H 63 3.869 4.151 -0.282 1
1 658 . 8 1 1 A 63 63 SER C C 63 176.656 176.795 -0.139 1
1 659 . 8 1 1 A 63 63 SER CA C 63 61.433 61.885 -0.452 1
1 660 . 8 1 1 A 63 63 SER CB C 63 62.197 62.377 -0.180 1
1 661 . 8 1 1 A 64 64 LEU H H 64 8.062 8.080 -0.018 1
1 662 . 8 1 1 A 64 64 LEU HA H 64 4.367 4.142 0.225 1
1 672 . 8 1 1 A 64 64 LEU C C 64 178.789 179.052 -0.263 1
1 673 . 8 1 1 A 64 64 LEU CA C 64 57.964 57.761 0.203 1
1 674 . 8 1 1 A 64 64 LEU CB C 64 42.052 41.791 0.261 1
1 678 . 8 1 1 A 64 64 LEU N N 64 123.294 125.693 -2.399 1
1 679 . 8 1 1 A 65 65 LYS H H 65 7.524 7.821 -0.297 1
1 680 . 8 1 1 A 65 65 LYS HA H 65 4.292 3.995 0.297 1
1 689 . 8 1 1 A 65 65 LYS C C 65 180.779 179.587 1.192 1
1 690 . 8 1 1 A 65 65 LYS CA C 65 60.266 59.543 0.723 1
1 691 . 8 1 1 A 65 65 LYS CB C 65 32.808 32.312 0.496 1
1 695 . 8 1 1 A 65 65 LYS N N 65 119.262 118.876 0.386 1
1 696 . 8 1 1 A 66 66 VAL H H 66 8.290 7.755 0.535 1
1 697 . 8 1 1 A 66 66 VAL HA H 66 4.075 3.881 0.194 1
1 705 . 8 1 1 A 66 66 VAL C C 66 177.509 177.818 -0.309 1
1 706 . 8 1 1 A 66 66 VAL CA C 66 66.963 66.573 0.390 1
1 707 . 8 1 1 A 66 66 VAL CB C 66 32.419 31.500 0.919 1
1 710 . 8 1 1 A 66 66 VAL N N 66 119.900 120.504 -0.604 1
1 711 . 8 1 1 A 67 67 TYR H H 67 8.893 8.164 0.729 1
1 712 . 8 1 1 A 67 67 TYR HA H 67 3.857 4.151 -0.294 1
1 719 . 8 1 1 A 67 67 TYR C C 67 177.956 178.043 -0.087 1
1 720 . 8 1 1 A 67 67 TYR CA C 67 62.897 61.591 1.306 1
1 721 . 8 1 1 A 67 67 TYR CB C 67 38.326 38.529 -0.203 1
1 726 . 8 1 1 A 67 67 TYR N N 67 120.861 121.152 -0.291 1
1 727 . 8 1 1 A 68 68 ASN H H 68 8.561 8.012 0.549 1
1 728 . 8 1 1 A 68 68 ASN HA H 68 4.545 4.477 0.068 1
1 733 . 8 1 1 A 68 68 ASN C C 68 177.570 178.260 -0.690 1
1 734 . 8 1 1 A 68 68 ASN CA C 68 56.222 56.621 -0.399 1
1 735 . 8 1 1 A 68 68 ASN CB C 68 38.465 38.425 0.040 1
1 736 . 8 1 1 A 68 68 ASN N N 68 117.386 117.467 -0.081 1
1 738 . 8 1 1 A 69 69 TRP H H 69 8.655 8.236 0.419 1
1 739 . 8 1 1 A 69 69 TRP HA H 69 4.151 4.347 -0.196 1
1 748 . 8 1 1 A 69 69 TRP C C 69 179.764 178.283 1.481 1
1 749 . 8 1 1 A 69 69 TRP CA C 69 63.194 61.469 1.725 1
1 750 . 8 1 1 A 69 69 TRP CB C 69 29.720 29.375 0.345 1
1 756 . 8 1 1 A 69 69 TRP N N 69 123.454 122.775 0.679 1
1 758 . 8 1 1 A 70 70 PHE H H 70 9.166 8.617 0.549 1
1 759 . 8 1 1 A 70 70 PHE HA H 70 3.745 4.452 -0.707 1
1 767 . 8 1 1 A 70 70 PHE C C 70 177.469 178.524 -1.055 1
1 768 . 8 1 1 A 70 70 PHE CA C 70 62.862 61.731 1.131 1
1 769 . 8 1 1 A 70 70 PHE CB C 70 39.115 37.948 1.167 1
1 775 . 8 1 1 A 70 70 PHE N N 70 120.259 118.337 1.922 1
1 776 . 8 1 1 A 71 71 ALA H H 71 8.169 8.452 -0.283 1
1 777 . 8 1 1 A 71 71 ALA HA H 71 3.868 4.029 -0.161 1
1 781 . 8 1 1 A 71 71 ALA C C 71 180.698 180.064 0.634 1
1 782 . 8 1 1 A 71 71 ALA CA C 71 55.307 54.988 0.319 1
1 783 . 8 1 1 A 71 71 ALA CB C 71 17.697 17.980 -0.283 1
1 784 . 8 1 1 A 71 71 ALA N N 71 120.051 122.491 -2.440 1
1 785 . 8 1 1 A 72 72 ASN H H 72 7.789 7.808 -0.019 1
1 786 . 8 1 1 A 72 72 ASN HA H 72 4.280 4.306 -0.026 1
1 791 . 8 1 1 A 72 72 ASN C C 72 177.022 177.662 -0.640 1
1 792 . 8 1 1 A 72 72 ASN CA C 72 56.222 56.159 0.063 1
1 793 . 8 1 1 A 72 72 ASN CB C 72 38.363 38.722 -0.359 1
1 794 . 8 1 1 A 72 72 ASN N N 72 116.515 116.394 0.121 1
1 796 . 8 1 1 A 73 73 ARG H H 73 7.999 7.456 0.543 1
1 797 . 8 1 1 A 73 73 ARG HA H 73 3.416 3.690 -0.274 1
1 805 . 8 1 1 A 73 73 ARG C C 73 178.708 178.575 0.133 1
1 806 . 8 1 1 A 73 73 ARG CA C 73 57.403 58.939 -1.536 1
1 807 . 8 1 1 A 73 73 ARG CB C 73 28.264 29.336 -1.072 1
1 810 . 8 1 1 A 73 73 ARG N N 73 123.203 119.654 3.549 1
1 812 . 8 1 1 A 74 74 ARG H H 74 8.033 7.931 0.102 1
1 813 . 8 1 1 A 74 74 ARG HA H 74 4.017 4.141 -0.124 1
1 820 . 8 1 1 A 74 74 ARG C C 74 178.850 179.062 -0.212 1
1 821 . 8 1 1 A 74 74 ARG CA C 74 60.414 59.492 0.922 1
1 822 . 8 1 1 A 74 74 ARG CB C 74 31.221 29.930 1.291 1
1 825 . 8 1 1 A 74 74 ARG N N 74 116.187 118.728 -2.541 1
1 826 . 8 1 1 A 75 75 LYS H H 75 7.359 8.051 -0.692 1
1 827 . 8 1 1 A 75 75 LYS HA H 75 4.054 4.038 0.016 1
1 834 . 8 1 1 A 75 75 LYS C C 75 178.301 178.825 -0.524 1
1 835 . 8 1 1 A 75 75 LYS CA C 75 58.908 59.244 -0.336 1
1 836 . 8 1 1 A 75 75 LYS CB C 75 32.463 31.833 0.630 1
1 840 . 8 1 1 A 75 75 LYS N N 75 118.329 118.667 -0.338 1
1 841 . 8 1 1 A 76 76 GLU H H 76 7.769 7.460 0.309 1
1 842 . 8 1 1 A 76 76 GLU HA H 76 4.051 4.110 -0.059 1
1 847 . 8 1 1 A 76 76 GLU C C 76 178.261 178.653 -0.392 1
1 848 . 8 1 1 A 76 76 GLU CA C 76 58.200 58.482 -0.282 1
1 849 . 8 1 1 A 76 76 GLU CB C 76 29.841 29.480 0.361 1
1 851 . 8 1 1 A 76 76 GLU N N 76 119.947 118.114 1.833 1
1 852 . 8 1 1 A 77 77 ILE H H 77 7.826 7.789 0.037 1
1 853 . 8 1 1 A 77 77 ILE HA H 77 3.856 3.790 0.066 1
1 863 . 8 1 1 A 77 77 ILE C C 77 177.794 177.551 0.243 1
1 864 . 8 1 1 A 77 77 ILE CA C 77 63.454 64.241 -0.787 1
1 865 . 8 1 1 A 77 77 ILE CB C 77 38.016 37.562 0.454 1
1 869 . 8 1 1 A 77 77 ILE N N 77 119.278 119.912 -0.634 1
1 870 . 8 1 1 A 78 78 LYS H H 78 7.802 8.436 -0.634 1
1 871 . 8 1 1 A 78 78 LYS HA H 78 4.196 4.039 0.157 1
1 878 . 8 1 1 A 78 78 LYS C C 78 177.591 178.921 -1.330 1
1 879 . 8 1 1 A 78 78 LYS CA C 78 57.728 59.057 -1.329 1
1 880 . 8 1 1 A 78 78 LYS CB C 78 32.601 32.015 0.586 1
1 884 . 8 1 1 A 78 78 LYS N N 78 122.041 122.279 -0.238 1
1 885 . 8 1 1 A 79 79 ARG H H 79 8.053 8.183 -0.130 1
1 886 . 8 1 1 A 79 79 ARG HA H 79 4.196 4.051 0.145 1
1 891 . 8 1 1 A 79 79 ARG C C 79 177.448 178.483 -1.035 1
1 892 . 8 1 1 A 79 79 ARG CA C 79 57.639 59.220 -1.581 1
1 893 . 8 1 1 A 79 79 ARG CB C 79 30.531 29.874 0.657 1
1 896 . 8 1 1 A 79 79 ARG N N 79 120.496 119.607 0.889 1
1 897 . 8 1 1 A 80 80 ARG H H 80 8.083 7.375 0.708 1
1 898 . 8 1 1 A 80 80 ARG HA H 80 4.193 4.108 0.085 1
1 904 . 8 1 1 A 80 80 ARG C C 80 176.786 177.627 -0.841 1
1 905 . 8 1 1 A 80 80 ARG CA C 80 57.196 58.459 -1.263 1
1 906 . 8 1 1 A 80 80 ARG CB C 80 30.531 29.930 0.601 1
1 909 . 8 1 1 A 80 80 ARG N N 80 120.092 119.168 0.924 1
1 910 . 8 1 1 A 81 81 ALA H H 81 8.062 7.794 0.268 1
1 911 . 8 1 1 A 81 81 ALA HA H 81 4.256 4.302 -0.046 1
1 915 . 8 1 1 A 81 81 ALA C C 81 178.013 178.110 -0.097 1
1 916 . 8 1 1 A 81 81 ALA CA C 81 53.141 52.610 0.531 1
1 917 . 8 1 1 A 81 81 ALA CB C 81 19.003 19.792 -0.789 1
1 918 . 8 1 1 A 81 81 ALA N N 81 123.434 120.450 2.984 1
1 919 . 8 1 1 A 82 82 ASN H H 82 8.219 7.984 0.235 1
1 920 . 8 1 1 A 82 82 ASN HA H 82 4.661 5.055 -0.394 1
1 925 . 8 1 1 A 82 82 ASN C C 82 175.620 175.194 0.426 1
1 926 . 8 1 1 A 82 82 ASN CA C 82 53.686 52.809 0.877 1
1 927 . 8 1 1 A 82 82 ASN CB C 82 38.672 38.991 -0.319 1
1 928 . 8 1 1 A 82 82 ASN N N 82 117.551 113.858 3.693 1
1 930 . 8 1 1 A 83 83 ILE H H 83 7.949 7.579 0.370 1
1 931 . 8 1 1 A 83 83 ILE HA H 83 4.077 4.356 -0.279 1
1 941 . 8 1 1 A 83 83 ILE C C 83 176.291 175.109 1.182 1
1 942 . 8 1 1 A 83 83 ILE CA C 83 61.695 60.542 1.153 1
1 943 . 8 1 1 A 83 83 ILE CB C 83 38.672 36.075 2.597 1
1 947 . 8 1 1 A 83 83 ILE N N 83 120.666 120.075 0.591 1
1 948 . 8 1 1 A 84 84 ALA H H 84 8.184 8.279 -0.095 1
1 949 . 8 1 1 A 84 84 ALA HA H 84 4.262 3.869 0.393 1
1 953 . 8 1 1 A 84 84 ALA C C 84 177.794 176.245 1.549 1
1 954 . 8 1 1 A 84 84 ALA CA C 84 53.005 53.155 -0.150 1
1 955 . 8 1 1 A 84 84 ALA CB C 84 18.941 17.038 1.903 1
1 956 . 8 1 1 A 84 84 ALA N N 84 126.306 119.996 6.310 1
1 957 . 8 1 1 A 85 85 ALA H H 85 8.019 7.708 0.311 1
1 958 . 8 1 1 A 85 85 ALA HA H 85 4.263 4.403 -0.140 1
1 962 . 8 1 1 A 85 85 ALA C C 85 178.143 178.364 -0.221 1
1 963 . 8 1 1 A 85 85 ALA CA C 85 52.857 51.377 1.480 1
1 964 . 8 1 1 A 85 85 ALA CB C 85 19.170 19.816 -0.646 1
1 965 . 8 1 1 A 85 85 ALA N N 85 122.320 117.776 4.544 1
1 966 . 8 1 1 A 86 86 ILE H H 86 7.959 8.680 -0.721 1
1 967 . 8 1 1 A 86 86 ILE HA H 86 4.077 3.758 0.319 1
1 977 . 8 1 1 A 86 86 ILE C C 86 176.697 176.327 0.370 1
1 978 . 8 1 1 A 86 86 ILE CA C 86 61.654 64.240 -2.586 1
1 979 . 8 1 1 A 86 86 ILE CB C 86 38.603 37.625 0.978 1
1 983 . 8 1 1 A 86 86 ILE N N 86 119.762 122.507 -2.745 1
1 984 . 8 1 1 A 87 87 LEU H H 87 8.219 7.636 0.583 1
1 985 . 8 1 1 A 87 87 LEU HA H 87 4.340 4.146 0.194 1
1 995 . 8 1 1 A 87 87 LEU C C 87 177.616 175.881 1.735 1
1 996 . 8 1 1 A 87 87 LEU CA C 87 55.425 56.033 -0.608 1
1 997 . 8 1 1 A 87 87 LEU CB C 87 42.328 42.422 -0.094 1
1 1001 . 8 1 1 A 87 87 LEU N N 87 125.404 124.782 0.622 1
1 1002 . 8 1 1 A 88 88 GLU H H 88 8.321 8.454 -0.133 1
1 1003 . 8 1 1 A 88 88 GLU HA H 88 4.287 4.631 -0.344 1
1 1008 . 8 1 1 A 88 88 GLU C C 88 176.636 173.857 2.779 1
1 1009 . 8 1 1 A 88 88 GLU CA C 88 56.872 56.393 0.479 1
1 1010 . 8 1 1 A 88 88 GLU CB C 88 30.186 33.032 -2.846 1
1 1012 . 8 1 1 A 88 88 GLU N N 88 121.673 126.661 -4.988 1
1 1013 . 8 1 1 A 89 89 SER H H 89 8.254 8.865 -0.611 1
1 1014 . 8 1 1 A 89 89 SER HA H 89 4.483 4.718 -0.235 1
1 1017 . 8 1 1 A 89 89 SER C C 89 174.693 173.278 1.415 1
1 1018 . 8 1 1 A 89 89 SER CA C 89 58.395 57.065 1.330 1
1 1019 . 8 1 1 A 89 89 SER CB C 89 64.017 63.213 0.804 1
1 1020 . 8 1 1 A 89 89 SER N N 89 116.276 122.777 -6.501 1
1 1021 . 8 1 1 A 90 90 SER H H 90 8.346 8.325 0.021 1
1 1022 . 8 1 1 A 90 90 SER HA H 90 4.478 4.925 -0.447 1
1 1024 . 8 1 1 A 90 90 SER C C 90 174.564 173.466 1.098 1
1 1025 . 8 1 1 A 90 90 SER CA C 90 58.525 56.893 1.632 1
1 1026 . 8 1 1 A 90 90 SER CB C 90 64.129 66.566 -2.437 1
1 1027 . 8 1 1 A 90 90 SER N N 90 117.689 121.617 -3.928 1
1 1028 . 8 1 1 A 91 91 GLY H H 91 8.213 8.854 -0.641 1
1 1029 . 8 1 1 A 91 91 GLY HA2 H 91 4.112 4.076 0.036 1
1 1030 . 8 1 1 A 91 91 GLY HA3 H 91 4.112 4.076 0.036 1
1 1031 . 8 1 1 A 91 91 GLY C C 91 171.803 172.874 -1.071 1
1 1032 . 8 1 1 A 91 91 GLY CA C 91 44.743 44.299 0.444 1
1 1033 . 8 1 1 A 91 91 GLY N N 91 110.570 114.353 -3.783 1
1 1034 . 8 1 1 A 92 92 PRO HA H 92 4.530 4.692 -0.162 1
1 1035 . 8 1 1 A 93 93 SER HA H 93 4.498 4.967 -0.469 1
1 1037 . 8 1 1 A 93 93 SER C C 93 173.981 173.762 0.219 1
1 1038 . 8 1 1 A 93 93 SER CA C 93 57.378 57.368 0.010 1
1 1039 . 8 1 1 A 93 93 SER CB C 93 58.505 66.788 -8.283 1
1 1040 . 8 1 1 A 94 94 SER H H 94 8.032 8.647 -0.615 1
1 1041 . 8 1 1 A 94 94 SER HA H 94 4.498 4.134 0.364 1
1 1043 . 8 1 1 A 94 94 SER C C 94 173.955 175.504 -1.549 1
1 1044 . 8 1 1 A 94 94 SER CA C 94 58.436 60.493 -2.057 1
1 1045 . 8 1 1 A 94 94 SER CB C 94 64.017 62.490 1.527 1
1 1046 . 8 1 1 A 94 94 SER N N 94 116.327 118.836 -2.509 1
1 1 . 9 1 1 A 11 11 ARG HA H 11 4.442 4.435 0.007 1
1 6 . 9 1 1 A 11 11 ARG C C 11 175.365 176.283 -0.918 1
1 7 . 9 1 1 A 11 11 ARG CA C 11 55.738 57.440 -1.702 1
1 8 . 9 1 1 A 11 11 ARG CB C 11 31.419 31.127 0.292 1
1 11 . 9 1 1 A 12 12 PHE H H 12 8.430 8.007 0.423 1
1 12 . 9 1 1 A 12 12 PHE HA H 12 4.481 4.575 -0.094 1
1 20 . 9 1 1 A 12 12 PHE C C 12 174.869 174.233 0.636 1
1 21 . 9 1 1 A 12 12 PHE CA C 12 58.525 58.789 -0.264 1
1 22 . 9 1 1 A 12 12 PHE CB C 12 39.955 40.019 -0.064 1
1 28 . 9 1 1 A 12 12 PHE N N 12 123.637 119.720 3.917 1
1 29 . 9 1 1 A 13 13 THR H H 13 7.543 6.772 0.771 1
1 30 . 9 1 1 A 13 13 THR HA H 13 4.216 4.520 -0.304 1
1 35 . 9 1 1 A 13 13 THR C C 13 172.757 172.227 0.530 1
1 36 . 9 1 1 A 13 13 THR CA C 13 60.703 60.365 0.338 1
1 37 . 9 1 1 A 13 13 THR CB C 13 70.578 72.571 -1.993 1
1 39 . 9 1 1 A 13 13 THR N N 13 122.237 116.736 5.501 1
1 40 . 9 1 1 A 14 14 TRP H H 14 8.427 8.744 -0.317 1
1 41 . 9 1 1 A 14 14 TRP HA H 14 4.195 5.034 -0.839 1
1 50 . 9 1 1 A 14 14 TRP C C 14 177.225 175.889 1.336 1
1 51 . 9 1 1 A 14 14 TRP CA C 14 57.137 55.452 1.685 1
1 52 . 9 1 1 A 14 14 TRP CB C 14 29.919 30.404 -0.485 1
1 58 . 9 1 1 A 14 14 TRP N N 14 125.363 124.590 0.773 1
1 60 . 9 1 1 A 15 15 ARG H H 15 8.790 8.570 0.220 1
1 61 . 9 1 1 A 15 15 ARG HA H 15 4.436 4.263 0.173 1
1 67 . 9 1 1 A 15 15 ARG C C 15 176.254 177.384 -1.130 1
1 68 . 9 1 1 A 15 15 ARG CA C 15 54.848 57.002 -2.154 1
1 69 . 9 1 1 A 15 15 ARG CB C 15 30.217 30.652 -0.435 1
1 72 . 9 1 1 A 15 15 ARG N N 15 124.453 124.453 0.000 1
1 73 . 9 1 1 A 16 16 LYS H H 16 7.990 8.977 -0.987 1
1 74 . 9 1 1 A 16 16 LYS HA H 16 3.949 3.933 0.016 1
1 81 . 9 1 1 A 16 16 LYS C C 16 179.133 178.304 0.829 1
1 82 . 9 1 1 A 16 16 LYS CA C 16 60.206 59.708 0.498 1
1 83 . 9 1 1 A 16 16 LYS CB C 16 32.102 32.191 -0.089 1
1 87 . 9 1 1 A 16 16 LYS N N 16 120.654 124.115 -3.461 1
1 88 . 9 1 1 A 17 17 GLU H H 17 10.775 8.466 2.309 1
1 89 . 9 1 1 A 17 17 GLU HA H 17 4.126 4.020 0.106 1
1 94 . 9 1 1 A 17 17 GLU C C 17 179.581 179.267 0.314 1
1 95 . 9 1 1 A 17 17 GLU CA C 17 60.262 59.370 0.892 1
1 96 . 9 1 1 A 17 17 GLU CB C 17 28.944 29.833 -0.889 1
1 98 . 9 1 1 A 17 17 GLU N N 17 119.914 119.283 0.631 1
1 99 . 9 1 1 A 18 18 CYS H H 18 7.314 8.296 -0.982 1
1 100 . 9 1 1 A 18 18 CYS HA H 18 4.166 4.228 -0.062 1
1 103 . 9 1 1 A 18 18 CYS C C 18 176.250 177.495 -1.245 1
1 104 . 9 1 1 A 18 18 CYS CA C 18 61.093 63.141 -2.048 1
1 105 . 9 1 1 A 18 18 CYS CB C 18 27.636 26.879 0.757 1
1 106 . 9 1 1 A 18 18 CYS N N 18 115.339 119.003 -3.664 1
1 107 . 9 1 1 A 19 19 LEU H H 19 7.975 8.190 -0.215 1
1 108 . 9 1 1 A 19 19 LEU HA H 19 3.365 3.607 -0.242 1
1 118 . 9 1 1 A 19 19 LEU C C 19 178.119 178.915 -0.796 1
1 119 . 9 1 1 A 19 19 LEU CA C 19 58.084 57.740 0.344 1
1 120 . 9 1 1 A 19 19 LEU CB C 19 40.713 40.941 -0.228 1
1 124 . 9 1 1 A 19 19 LEU N N 19 120.346 122.909 -2.563 1
1 125 . 9 1 1 A 20 20 ALA H H 20 7.481 7.877 -0.396 1
1 126 . 9 1 1 A 20 20 ALA HA H 20 4.079 4.117 -0.038 1
1 130 . 9 1 1 A 20 20 ALA C C 20 180.800 180.428 0.372 1
1 131 . 9 1 1 A 20 20 ALA CA C 20 55.172 55.188 -0.016 1
1 132 . 9 1 1 A 20 20 ALA CB C 20 17.975 18.224 -0.249 1
1 133 . 9 1 1 A 20 20 ALA N N 20 119.101 121.795 -2.694 1
1 134 . 9 1 1 A 21 21 VAL H H 21 6.932 7.345 -0.413 1
1 135 . 9 1 1 A 21 21 VAL HA H 21 3.752 3.433 0.319 1
1 143 . 9 1 1 A 21 21 VAL C C 21 178.850 177.900 0.950 1
1 144 . 9 1 1 A 21 21 VAL CA C 21 66.018 67.538 -1.520 1
1 145 . 9 1 1 A 21 21 VAL CB C 21 32.168 31.584 0.584 1
1 148 . 9 1 1 A 21 21 VAL N N 21 118.965 117.985 0.980 1
1 149 . 9 1 1 A 22 22 MET H H 22 7.925 7.693 0.232 1
1 150 . 9 1 1 A 22 22 MET HA H 22 3.894 4.104 -0.210 1
1 158 . 9 1 1 A 22 22 MET C C 22 177.997 178.583 -0.586 1
1 159 . 9 1 1 A 22 22 MET CA C 22 60.060 58.794 1.266 1
1 160 . 9 1 1 A 22 22 MET CB C 22 30.494 31.866 -1.372 1
1 163 . 9 1 1 A 22 22 MET N N 22 118.668 116.847 1.821 1
1 164 . 9 1 1 A 23 23 GLU H H 23 8.452 7.676 0.776 1
1 165 . 9 1 1 A 23 23 GLU HA H 23 4.048 4.056 -0.008 1
1 170 . 9 1 1 A 23 23 GLU C C 23 178.809 179.051 -0.242 1
1 171 . 9 1 1 A 23 23 GLU CA C 23 59.676 59.245 0.431 1
1 172 . 9 1 1 A 23 23 GLU CB C 23 29.289 29.374 -0.085 1
1 174 . 9 1 1 A 23 23 GLU N N 23 118.239 119.176 -0.937 1
1 175 . 9 1 1 A 24 24 SER H H 24 7.431 7.492 -0.061 1
1 176 . 9 1 1 A 24 24 SER HA H 24 4.279 4.268 0.011 1
1 179 . 9 1 1 A 24 24 SER C C 24 177.916 177.168 0.748 1
1 180 . 9 1 1 A 24 24 SER CA C 24 61.785 61.568 0.217 1
1 181 . 9 1 1 A 24 24 SER CB C 24 62.616 63.050 -0.434 1
1 182 . 9 1 1 A 24 24 SER N N 24 113.792 115.963 -2.171 1
1 183 . 9 1 1 A 25 25 TYR H H 25 7.845 8.242 -0.397 1
1 184 . 9 1 1 A 25 25 TYR HA H 25 4.354 4.334 0.020 1
1 191 . 9 1 1 A 25 25 TYR C C 25 178.789 178.943 -0.154 1
1 192 . 9 1 1 A 25 25 TYR CA C 25 63.193 60.928 2.265 1
1 193 . 9 1 1 A 25 25 TYR CB C 25 38.706 38.080 0.626 1
1 198 . 9 1 1 A 25 25 TYR N N 25 120.184 119.209 0.975 1
1 199 . 9 1 1 A 26 26 PHE H H 26 9.279 8.270 1.009 1
1 200 . 9 1 1 A 26 26 PHE HA H 26 4.237 4.803 -0.566 1
1 208 . 9 1 1 A 26 26 PHE C C 26 175.885 178.055 -2.170 1
1 209 . 9 1 1 A 26 26 PHE CA C 26 62.008 61.332 0.676 1
1 210 . 9 1 1 A 26 26 PHE CB C 26 39.072 39.114 -0.042 1
1 216 . 9 1 1 A 26 26 PHE N N 26 123.634 120.621 3.013 1
1 217 . 9 1 1 A 27 27 ASN H H 27 7.807 8.076 -0.269 1
1 218 . 9 1 1 A 27 27 ASN HA H 27 4.409 4.508 -0.099 1
1 223 . 9 1 1 A 27 27 ASN C C 27 176.108 177.415 -1.307 1
1 224 . 9 1 1 A 27 27 ASN CA C 27 55.307 56.478 -1.171 1
1 225 . 9 1 1 A 27 27 ASN CB C 27 38.810 37.995 0.815 1
1 226 . 9 1 1 A 27 27 ASN N N 27 112.896 117.549 -4.653 1
1 228 . 9 1 1 A 28 28 GLU H H 28 7.431 7.973 -0.542 1
1 229 . 9 1 1 A 28 28 GLU HA H 28 4.274 4.257 0.017 1
1 234 . 9 1 1 A 28 28 GLU C C 28 176.880 176.420 0.460 1
1 235 . 9 1 1 A 28 28 GLU CA C 28 57.875 58.055 -0.180 1
1 236 . 9 1 1 A 28 28 GLU CB C 28 30.965 29.583 1.382 1
1 238 . 9 1 1 A 28 28 GLU N N 28 117.899 114.744 3.155 1
1 239 . 9 1 1 A 29 29 ASN H H 29 7.950 7.965 -0.015 1
1 240 . 9 1 1 A 29 29 ASN HA H 29 4.562 4.990 -0.428 1
1 245 . 9 1 1 A 29 29 ASN C C 29 174.036 174.762 -0.726 1
1 246 . 9 1 1 A 29 29 ASN CA C 29 53.654 52.948 0.706 1
1 247 . 9 1 1 A 29 29 ASN CB C 29 39.361 40.882 -1.521 1
1 248 . 9 1 1 A 29 29 ASN N N 29 116.656 117.182 -0.526 1
1 250 . 9 1 1 A 30 30 GLN H H 30 8.658 8.321 0.337 1
1 251 . 9 1 1 A 30 30 GLN HA H 30 3.848 3.333 0.515 1
1 258 . 9 1 1 A 30 30 GLN C C 30 174.503 175.407 -0.904 1
1 259 . 9 1 1 A 30 30 GLN CA C 30 57.336 57.783 -0.447 1
1 260 . 9 1 1 A 30 30 GLN CB C 30 27.978 29.337 -1.359 1
1 262 . 9 1 1 A 30 30 GLN N N 30 122.486 123.043 -0.557 1
1 264 . 9 1 1 A 31 31 TYR H H 31 8.181 7.730 0.451 1
1 265 . 9 1 1 A 31 31 TYR HA H 31 4.769 5.140 -0.371 1
1 272 . 9 1 1 A 31 31 TYR C C 31 172.816 173.188 -0.372 1
1 273 . 9 1 1 A 31 31 TYR CA C 31 55.409 54.185 1.224 1
1 274 . 9 1 1 A 31 31 TYR CB C 31 38.938 38.876 0.062 1
1 279 . 9 1 1 A 31 31 TYR N N 31 116.012 117.509 -1.497 1
1 280 . 9 1 1 A 32 32 PRO HA H 32 4.320 4.599 -0.279 1
1 287 . 9 1 1 A 32 32 PRO C C 32 177.530 176.950 0.580 1
1 288 . 9 1 1 A 32 32 PRO CA C 32 63.041 62.662 0.379 1
1 289 . 9 1 1 A 32 32 PRO CB C 32 31.052 31.803 -0.751 1
1 292 . 9 1 1 A 33 33 ASP H H 33 8.439 8.416 0.023 1
1 293 . 9 1 1 A 33 33 ASP HA H 33 4.475 4.659 -0.184 1
1 296 . 9 1 1 A 33 33 ASP C C 33 175.397 177.519 -2.122 1
1 297 . 9 1 1 A 33 33 ASP CA C 33 52.562 54.415 -1.853 1
1 298 . 9 1 1 A 33 33 ASP CB C 33 40.363 41.824 -1.461 1
1 299 . 9 1 1 A 33 33 ASP N N 33 125.278 122.174 3.104 1
1 300 . 9 1 1 A 34 34 GLU H H 34 8.644 9.068 -0.424 1
1 301 . 9 1 1 A 34 34 GLU HA H 34 3.613 3.910 -0.297 1
1 306 . 9 1 1 A 34 34 GLU C C 34 178.261 178.287 -0.026 1
1 307 . 9 1 1 A 34 34 GLU CA C 34 61.565 59.564 2.001 1
1 308 . 9 1 1 A 34 34 GLU CB C 34 29.289 29.218 0.071 1
1 310 . 9 1 1 A 34 34 GLU N N 34 118.756 123.037 -4.281 1
1 311 . 9 1 1 A 35 35 ALA H H 35 8.121 8.192 -0.071 1
1 312 . 9 1 1 A 35 35 ALA HA H 35 4.155 4.064 0.091 1
1 316 . 9 1 1 A 35 35 ALA C C 35 181.307 179.735 1.572 1
1 317 . 9 1 1 A 35 35 ALA CA C 35 54.953 55.273 -0.320 1
1 318 . 9 1 1 A 35 35 ALA CB C 35 17.975 18.153 -0.178 1
1 319 . 9 1 1 A 35 35 ALA N N 35 121.196 121.595 -0.399 1
1 320 . 9 1 1 A 36 36 LYS H H 36 8.448 7.890 0.558 1
1 321 . 9 1 1 A 36 36 LYS HA H 36 4.157 4.031 0.126 1
1 330 . 9 1 1 A 36 36 LYS C C 36 178.769 178.485 0.284 1
1 331 . 9 1 1 A 36 36 LYS CA C 36 56.576 59.631 -3.055 1
1 332 . 9 1 1 A 36 36 LYS CB C 36 29.689 32.211 -2.522 1
1 336 . 9 1 1 A 36 36 LYS N N 36 121.690 118.684 3.006 1
1 337 . 9 1 1 A 37 37 ARG H H 37 8.977 8.101 0.876 1
1 338 . 9 1 1 A 37 37 ARG HA H 37 3.711 3.866 -0.155 1
1 345 . 9 1 1 A 37 37 ARG C C 37 178.444 179.102 -0.658 1
1 346 . 9 1 1 A 37 37 ARG CA C 37 61.131 59.661 1.470 1
1 347 . 9 1 1 A 37 37 ARG CB C 37 30.941 30.018 0.923 1
1 350 . 9 1 1 A 37 37 ARG N N 37 117.588 118.529 -0.941 1
1 351 . 9 1 1 A 38 38 GLU H H 38 7.750 7.911 -0.161 1
1 352 . 9 1 1 A 38 38 GLU HA H 38 4.083 4.088 -0.005 1
1 357 . 9 1 1 A 38 38 GLU C C 38 178.301 179.383 -1.082 1
1 358 . 9 1 1 A 38 38 GLU CA C 38 59.321 59.089 0.232 1
1 359 . 9 1 1 A 38 38 GLU CB C 38 29.013 29.247 -0.234 1
1 361 . 9 1 1 A 38 38 GLU N N 38 119.080 119.776 -0.696 1
1 362 . 9 1 1 A 39 39 GLU H H 39 7.540 7.911 -0.371 1
1 363 . 9 1 1 A 39 39 GLU HA H 39 4.048 4.088 -0.040 1
1 368 . 9 1 1 A 39 39 GLU C C 39 179.784 178.806 0.978 1
1 369 . 9 1 1 A 39 39 GLU CA C 39 59.646 59.095 0.551 1
1 370 . 9 1 1 A 39 39 GLU CB C 39 29.409 29.711 -0.302 1
1 372 . 9 1 1 A 39 39 GLU N N 39 121.188 119.449 1.739 1
1 373 . 9 1 1 A 40 40 ILE H H 40 8.634 7.894 0.740 1
1 374 . 9 1 1 A 40 40 ILE HA H 40 3.133 3.335 -0.202 1
1 384 . 9 1 1 A 40 40 ILE C C 40 178.119 177.698 0.421 1
1 385 . 9 1 1 A 40 40 ILE CA C 40 65.462 62.920 2.542 1
1 386 . 9 1 1 A 40 40 ILE CB C 40 37.951 36.671 1.280 1
1 390 . 9 1 1 A 40 40 ILE N N 40 121.126 120.169 0.957 1
1 391 . 9 1 1 A 41 41 ALA H H 41 8.462 8.258 0.204 1
1 392 . 9 1 1 A 41 41 ALA HA H 41 3.713 3.947 -0.234 1
1 396 . 9 1 1 A 41 41 ALA C C 41 178.850 179.998 -1.148 1
1 397 . 9 1 1 A 41 41 ALA CA C 41 56.014 55.525 0.489 1
1 398 . 9 1 1 A 41 41 ALA CB C 41 16.779 18.221 -1.442 1
1 399 . 9 1 1 A 41 41 ALA N N 41 123.029 123.933 -0.904 1
1 400 . 9 1 1 A 42 42 ASN H H 42 8.264 8.811 -0.547 1
1 401 . 9 1 1 A 42 42 ASN HA H 42 4.521 4.450 0.071 1
1 406 . 9 1 1 A 42 42 ASN C C 42 178.220 177.472 0.748 1
1 407 . 9 1 1 A 42 42 ASN CA C 42 56.193 55.770 0.423 1
1 408 . 9 1 1 A 42 42 ASN CB C 42 37.775 37.745 0.030 1
1 409 . 9 1 1 A 42 42 ASN N N 42 115.462 117.813 -2.351 1
1 411 . 9 1 1 A 43 43 ALA H H 43 8.403 7.696 0.707 1
1 412 . 9 1 1 A 43 43 ALA HA H 43 4.273 4.096 0.177 1
1 416 . 9 1 1 A 43 43 ALA C C 43 180.962 180.111 0.851 1
1 417 . 9 1 1 A 43 43 ALA CA C 43 55.200 55.106 0.094 1
1 418 . 9 1 1 A 43 43 ALA CB C 43 18.478 17.768 0.710 1
1 419 . 9 1 1 A 43 43 ALA N N 43 125.139 122.118 3.021 1
1 420 . 9 1 1 A 44 44 CYS H H 44 8.457 7.788 0.669 1
1 421 . 9 1 1 A 44 44 CYS HA H 44 4.156 4.130 0.026 1
1 424 . 9 1 1 A 44 44 CYS C C 44 176.534 177.208 -0.674 1
1 425 . 9 1 1 A 44 44 CYS CA C 44 64.768 63.517 1.251 1
1 426 . 9 1 1 A 44 44 CYS CB C 44 27.644 26.706 0.938 1
1 427 . 9 1 1 A 44 44 CYS N N 44 116.609 116.235 0.374 1
1 428 . 9 1 1 A 45 45 ASN H H 45 8.346 7.885 0.461 1
1 429 . 9 1 1 A 45 45 ASN HA H 45 4.613 4.509 0.104 1
1 434 . 9 1 1 A 45 45 ASN C C 45 177.631 177.728 -0.097 1
1 435 . 9 1 1 A 45 45 ASN CA C 45 55.723 56.116 -0.393 1
1 436 . 9 1 1 A 45 45 ASN CB C 45 37.526 37.974 -0.448 1
1 437 . 9 1 1 A 45 45 ASN N N 45 117.491 118.495 -1.004 1
1 439 . 9 1 1 A 46 46 ALA H H 46 8.014 7.677 0.337 1
1 440 . 9 1 1 A 46 46 ALA HA H 46 4.200 4.067 0.133 1
1 444 . 9 1 1 A 46 46 ALA C C 46 180.292 179.705 0.587 1
1 445 . 9 1 1 A 46 46 ALA CA C 46 54.805 55.081 -0.276 1
1 446 . 9 1 1 A 46 46 ALA CB C 46 18.283 18.326 -0.043 1
1 447 . 9 1 1 A 46 46 ALA N N 46 120.198 123.433 -3.235 1
1 448 . 9 1 1 A 47 47 VAL H H 47 7.240 8.093 -0.853 1
1 449 . 9 1 1 A 47 47 VAL HA H 47 4.306 3.813 0.493 1
1 457 . 9 1 1 A 47 47 VAL C C 47 177.083 177.309 -0.226 1
1 458 . 9 1 1 A 47 47 VAL CA C 47 63.484 65.250 -1.766 1
1 459 . 9 1 1 A 47 47 VAL CB C 47 31.935 31.530 0.405 1
1 462 . 9 1 1 A 47 47 VAL N N 47 110.165 116.403 -6.238 1
1 463 . 9 1 1 A 48 48 ILE H H 48 7.146 7.177 -0.031 1
1 464 . 9 1 1 A 48 48 ILE HA H 48 4.473 4.188 0.285 1
1 474 . 9 1 1 A 48 48 ILE C C 48 175.966 176.063 -0.097 1
1 475 . 9 1 1 A 48 48 ILE CA C 48 62.055 63.196 -1.141 1
1 476 . 9 1 1 A 48 48 ILE CB C 48 39.444 38.404 1.040 1
1 480 . 9 1 1 A 48 48 ILE N N 48 112.085 116.468 -4.383 1
1 481 . 9 1 1 A 49 49 GLN H H 49 7.671 8.133 -0.462 1
1 482 . 9 1 1 A 49 49 GLN HA H 49 4.254 4.103 0.151 1
1 489 . 9 1 1 A 49 49 GLN C C 49 175.417 175.835 -0.418 1
1 490 . 9 1 1 A 49 49 GLN CA C 49 56.370 56.673 -0.303 1
1 491 . 9 1 1 A 49 49 GLN CB C 49 29.289 28.986 0.303 1
1 493 . 9 1 1 A 49 49 GLN N N 49 123.076 123.178 -0.102 1
1 495 . 9 1 1 A 50 50 LYS H H 50 8.932 8.544 0.388 1
1 496 . 9 1 1 A 50 50 LYS HA H 50 4.760 4.694 0.066 1
1 502 . 9 1 1 A 50 50 LYS C C 50 174.497 174.294 0.203 1
1 503 . 9 1 1 A 50 50 LYS CA C 50 53.341 53.773 -0.432 1
1 504 . 9 1 1 A 50 50 LYS CB C 50 32.860 31.794 1.066 1
1 506 . 9 1 1 A 50 50 LYS N N 50 127.505 127.247 0.258 1
1 507 . 9 1 1 A 51 51 PRO HA H 51 4.328 4.296 0.032 1
1 514 . 9 1 1 A 51 51 PRO CA C 51 64.015 63.744 0.271 1
1 515 . 9 1 1 A 51 51 PRO CB C 51 31.590 31.263 0.327 1
1 518 . 9 1 1 A 52 52 GLY H H 52 8.752 8.790 -0.038 1
1 519 . 9 1 1 A 52 52 GLY HA2 H 52 4.113 3.991 0.122 1
1 520 . 9 1 1 A 52 52 GLY HA3 H 52 3.728 3.991 -0.263 1
1 521 . 9 1 1 A 52 52 GLY C C 52 173.732 173.597 0.135 1
1 522 . 9 1 1 A 52 52 GLY CA C 52 45.646 45.708 -0.062 1
1 523 . 9 1 1 A 53 53 LYS H H 53 7.734 7.350 0.384 1
1 524 . 9 1 1 A 53 53 LYS HA H 53 4.621 4.747 -0.126 1
1 531 . 9 1 1 A 53 53 LYS C C 53 175.681 174.845 0.836 1
1 532 . 9 1 1 A 53 53 LYS CA C 53 54.451 54.745 -0.294 1
1 533 . 9 1 1 A 53 53 LYS CB C 53 34.466 35.478 -1.012 1
1 537 . 9 1 1 A 53 53 LYS N N 53 120.205 120.733 -0.528 1
1 538 . 9 1 1 A 54 54 LYS H H 54 8.536 8.570 -0.034 1
1 539 . 9 1 1 A 54 54 LYS HA H 54 4.412 4.709 -0.297 1
1 546 . 9 1 1 A 54 54 LYS C C 54 177.022 176.999 0.023 1
1 547 . 9 1 1 A 54 54 LYS CA C 54 55.691 55.443 0.248 1
1 548 . 9 1 1 A 54 54 LYS CB C 54 33.453 33.870 -0.417 1
1 552 . 9 1 1 A 54 54 LYS N N 54 124.424 126.269 -1.845 1
1 553 . 9 1 1 A 55 55 LEU H H 55 8.656 8.645 0.011 1
1 554 . 9 1 1 A 55 55 LEU HA H 55 4.407 4.308 0.099 1
1 564 . 9 1 1 A 55 55 LEU C C 55 177.448 176.349 1.099 1
1 565 . 9 1 1 A 55 55 LEU CA C 55 54.670 55.125 -0.455 1
1 566 . 9 1 1 A 55 55 LEU CB C 55 43.243 42.349 0.894 1
1 570 . 9 1 1 A 55 55 LEU N N 55 126.145 124.499 1.646 1
1 571 . 9 1 1 A 56 56 SER H H 56 9.313 8.766 0.547 1
1 572 . 9 1 1 A 56 56 SER HA H 56 4.496 4.745 -0.249 1
1 575 . 9 1 1 A 56 56 SER C C 56 175.226 174.530 0.696 1
1 576 . 9 1 1 A 56 56 SER CA C 56 57.507 56.957 0.550 1
1 577 . 9 1 1 A 56 56 SER CB C 56 64.802 66.120 -1.318 1
1 578 . 9 1 1 A 56 56 SER N N 56 121.790 116.710 5.080 1
1 579 . 9 1 1 A 57 57 ASP H H 57 8.929 9.057 -0.128 1
1 580 . 9 1 1 A 57 57 ASP HA H 57 4.314 4.269 0.045 1
1 583 . 9 1 1 A 57 57 ASP C C 57 177.855 178.356 -0.501 1
1 584 . 9 1 1 A 57 57 ASP CA C 57 57.403 57.088 0.315 1
1 585 . 9 1 1 A 57 57 ASP CB C 57 40.353 40.261 0.092 1
1 586 . 9 1 1 A 58 58 LEU H H 58 7.824 8.082 -0.258 1
1 587 . 9 1 1 A 58 58 LEU HA H 58 4.194 4.057 0.137 1
1 597 . 9 1 1 A 58 58 LEU C C 58 177.509 178.153 -0.644 1
1 598 . 9 1 1 A 58 58 LEU CA C 58 56.754 58.129 -1.375 1
1 599 . 9 1 1 A 58 58 LEU CB C 58 42.259 40.924 1.335 1
1 603 . 9 1 1 A 58 58 LEU N N 58 117.552 120.927 -3.375 1
1 604 . 9 1 1 A 59 59 GLU H H 59 7.325 7.295 0.030 1
1 605 . 9 1 1 A 59 59 GLU HA H 59 4.286 4.301 -0.015 1
1 610 . 9 1 1 A 59 59 GLU C C 59 175.661 176.574 -0.913 1
1 611 . 9 1 1 A 59 59 GLU CA C 59 56.370 56.056 0.314 1
1 612 . 9 1 1 A 59 59 GLU CB C 59 32.314 30.330 1.984 1
1 614 . 9 1 1 A 59 59 GLU N N 59 115.631 116.012 -0.381 1
1 615 . 9 1 1 A 60 60 ARG H H 60 7.408 7.989 -0.581 1
1 616 . 9 1 1 A 60 60 ARG HA H 60 3.948 4.645 -0.697 1
1 623 . 9 1 1 A 60 60 ARG C C 60 175.194 175.168 0.026 1
1 624 . 9 1 1 A 60 60 ARG CA C 60 57.167 56.560 0.607 1
1 625 . 9 1 1 A 60 60 ARG CB C 60 31.083 30.706 0.377 1
1 628 . 9 1 1 A 60 60 ARG N N 60 118.018 122.833 -4.815 1
1 629 . 9 1 1 A 61 61 VAL H H 61 10.175 9.179 0.996 1
1 630 . 9 1 1 A 61 61 VAL HA H 61 3.462 4.336 -0.874 1
1 638 . 9 1 1 A 61 61 VAL C C 61 175.681 176.359 -0.678 1
1 639 . 9 1 1 A 61 61 VAL CA C 61 65.077 62.695 2.382 1
1 640 . 9 1 1 A 61 61 VAL CB C 61 31.702 31.306 0.396 1
1 643 . 9 1 1 A 61 61 VAL N N 61 128.658 128.045 0.613 1
1 644 . 9 1 1 A 62 62 THR H H 62 6.270 8.553 -2.283 1
1 645 . 9 1 1 A 62 62 THR HA H 62 4.780 4.763 0.017 1
1 650 . 9 1 1 A 62 62 THR C C 62 175.064 176.146 -1.082 1
1 651 . 9 1 1 A 62 62 THR CA C 62 58.600 60.393 -1.793 1
1 652 . 9 1 1 A 62 62 THR CB C 62 72.355 71.321 1.034 1
1 654 . 9 1 1 A 62 62 THR N N 62 114.178 120.570 -6.392 1
1 655 . 9 1 1 A 63 63 SER HA H 63 3.869 4.108 -0.239 1
1 658 . 9 1 1 A 63 63 SER C C 63 176.656 176.595 0.061 1
1 659 . 9 1 1 A 63 63 SER CA C 63 61.433 62.004 -0.571 1
1 660 . 9 1 1 A 63 63 SER CB C 63 62.197 62.514 -0.317 1
1 661 . 9 1 1 A 64 64 LEU H H 64 8.062 8.053 0.009 1
1 662 . 9 1 1 A 64 64 LEU HA H 64 4.367 4.119 0.248 1
1 672 . 9 1 1 A 64 64 LEU C C 64 178.789 179.096 -0.307 1
1 673 . 9 1 1 A 64 64 LEU CA C 64 57.964 57.838 0.126 1
1 674 . 9 1 1 A 64 64 LEU CB C 64 42.052 41.876 0.176 1
1 678 . 9 1 1 A 64 64 LEU N N 64 123.294 124.110 -0.816 1
1 679 . 9 1 1 A 65 65 LYS H H 65 7.524 7.762 -0.238 1
1 680 . 9 1 1 A 65 65 LYS HA H 65 4.292 4.084 0.208 1
1 689 . 9 1 1 A 65 65 LYS C C 65 180.779 179.777 1.002 1
1 690 . 9 1 1 A 65 65 LYS CA C 65 60.266 59.717 0.549 1
1 691 . 9 1 1 A 65 65 LYS CB C 65 32.808 32.535 0.273 1
1 695 . 9 1 1 A 65 65 LYS N N 65 119.262 119.560 -0.298 1
1 696 . 9 1 1 A 66 66 VAL H H 66 8.290 7.838 0.452 1
1 697 . 9 1 1 A 66 66 VAL HA H 66 4.075 3.886 0.189 1
1 705 . 9 1 1 A 66 66 VAL C C 66 177.509 177.922 -0.413 1
1 706 . 9 1 1 A 66 66 VAL CA C 66 66.963 66.488 0.475 1
1 707 . 9 1 1 A 66 66 VAL CB C 66 32.419 31.442 0.977 1
1 710 . 9 1 1 A 66 66 VAL N N 66 119.900 120.492 -0.592 1
1 711 . 9 1 1 A 67 67 TYR H H 67 8.893 8.100 0.793 1
1 712 . 9 1 1 A 67 67 TYR HA H 67 3.857 4.163 -0.306 1
1 719 . 9 1 1 A 67 67 TYR C C 67 177.956 178.167 -0.211 1
1 720 . 9 1 1 A 67 67 TYR CA C 67 62.897 61.612 1.285 1
1 721 . 9 1 1 A 67 67 TYR CB C 67 38.326 38.682 -0.356 1
1 726 . 9 1 1 A 67 67 TYR N N 67 120.861 121.057 -0.196 1
1 727 . 9 1 1 A 68 68 ASN H H 68 8.561 7.939 0.622 1
1 728 . 9 1 1 A 68 68 ASN HA H 68 4.545 4.502 0.043 1
1 733 . 9 1 1 A 68 68 ASN C C 68 177.570 178.185 -0.615 1
1 734 . 9 1 1 A 68 68 ASN CA C 68 56.222 56.511 -0.289 1
1 735 . 9 1 1 A 68 68 ASN CB C 68 38.465 38.385 0.080 1
1 736 . 9 1 1 A 68 68 ASN N N 68 117.386 117.559 -0.173 1
1 738 . 9 1 1 A 69 69 TRP H H 69 8.655 8.231 0.424 1
1 739 . 9 1 1 A 69 69 TRP HA H 69 4.151 4.307 -0.156 1
1 748 . 9 1 1 A 69 69 TRP C C 69 179.764 178.222 1.542 1
1 749 . 9 1 1 A 69 69 TRP CA C 69 63.194 61.376 1.818 1
1 750 . 9 1 1 A 69 69 TRP CB C 69 29.720 29.298 0.422 1
1 756 . 9 1 1 A 69 69 TRP N N 69 123.454 122.649 0.805 1
1 758 . 9 1 1 A 70 70 PHE H H 70 9.166 8.663 0.503 1
1 759 . 9 1 1 A 70 70 PHE HA H 70 3.745 4.543 -0.798 1
1 767 . 9 1 1 A 70 70 PHE C C 70 177.469 178.382 -0.913 1
1 768 . 9 1 1 A 70 70 PHE CA C 70 62.862 61.840 1.022 1
1 769 . 9 1 1 A 70 70 PHE CB C 70 39.115 38.083 1.032 1
1 775 . 9 1 1 A 70 70 PHE N N 70 120.259 118.380 1.879 1
1 776 . 9 1 1 A 71 71 ALA H H 71 8.169 8.428 -0.259 1
1 777 . 9 1 1 A 71 71 ALA HA H 71 3.868 3.977 -0.109 1
1 781 . 9 1 1 A 71 71 ALA C C 71 180.698 179.958 0.740 1
1 782 . 9 1 1 A 71 71 ALA CA C 71 55.307 55.029 0.278 1
1 783 . 9 1 1 A 71 71 ALA CB C 71 17.697 18.044 -0.347 1
1 784 . 9 1 1 A 71 71 ALA N N 71 120.051 122.618 -2.567 1
1 785 . 9 1 1 A 72 72 ASN H H 72 7.789 7.698 0.091 1
1 786 . 9 1 1 A 72 72 ASN HA H 72 4.280 4.293 -0.013 1
1 791 . 9 1 1 A 72 72 ASN C C 72 177.022 177.633 -0.611 1
1 792 . 9 1 1 A 72 72 ASN CA C 72 56.222 56.131 0.091 1
1 793 . 9 1 1 A 72 72 ASN CB C 72 38.363 38.647 -0.284 1
1 794 . 9 1 1 A 72 72 ASN N N 72 116.515 116.400 0.115 1
1 796 . 9 1 1 A 73 73 ARG H H 73 7.999 7.411 0.588 1
1 797 . 9 1 1 A 73 73 ARG HA H 73 3.416 3.656 -0.240 1
1 805 . 9 1 1 A 73 73 ARG C C 73 178.708 178.720 -0.012 1
1 806 . 9 1 1 A 73 73 ARG CA C 73 57.403 59.107 -1.704 1
1 807 . 9 1 1 A 73 73 ARG CB C 73 28.264 29.498 -1.234 1
1 810 . 9 1 1 A 73 73 ARG N N 73 123.203 119.573 3.630 1
1 812 . 9 1 1 A 74 74 ARG H H 74 8.033 7.899 0.134 1
1 813 . 9 1 1 A 74 74 ARG HA H 74 4.017 4.184 -0.167 1
1 820 . 9 1 1 A 74 74 ARG C C 74 178.850 179.147 -0.297 1
1 821 . 9 1 1 A 74 74 ARG CA C 74 60.414 59.257 1.157 1
1 822 . 9 1 1 A 74 74 ARG CB C 74 31.221 30.120 1.101 1
1 825 . 9 1 1 A 74 74 ARG N N 74 116.187 118.757 -2.570 1
1 826 . 9 1 1 A 75 75 LYS H H 75 7.359 8.153 -0.794 1
1 827 . 9 1 1 A 75 75 LYS HA H 75 4.054 4.031 0.023 1
1 834 . 9 1 1 A 75 75 LYS C C 75 178.301 178.830 -0.529 1
1 835 . 9 1 1 A 75 75 LYS CA C 75 58.908 59.180 -0.272 1
1 836 . 9 1 1 A 75 75 LYS CB C 75 32.463 31.839 0.624 1
1 840 . 9 1 1 A 75 75 LYS N N 75 118.329 118.550 -0.221 1
1 841 . 9 1 1 A 76 76 GLU H H 76 7.769 7.532 0.237 1
1 842 . 9 1 1 A 76 76 GLU HA H 76 4.051 4.123 -0.072 1
1 847 . 9 1 1 A 76 76 GLU C C 76 178.261 178.738 -0.477 1
1 848 . 9 1 1 A 76 76 GLU CA C 76 58.200 58.919 -0.719 1
1 849 . 9 1 1 A 76 76 GLU CB C 76 29.841 29.426 0.415 1
1 851 . 9 1 1 A 76 76 GLU N N 76 119.947 118.345 1.602 1
1 852 . 9 1 1 A 77 77 ILE H H 77 7.826 7.740 0.086 1
1 853 . 9 1 1 A 77 77 ILE HA H 77 3.856 3.823 0.033 1
1 863 . 9 1 1 A 77 77 ILE C C 77 177.794 178.014 -0.220 1
1 864 . 9 1 1 A 77 77 ILE CA C 77 63.454 64.160 -0.706 1
1 865 . 9 1 1 A 77 77 ILE CB C 77 38.016 37.495 0.521 1
1 869 . 9 1 1 A 77 77 ILE N N 77 119.278 119.997 -0.719 1
1 870 . 9 1 1 A 78 78 LYS H H 78 7.802 8.238 -0.436 1
1 871 . 9 1 1 A 78 78 LYS HA H 78 4.196 3.900 0.296 1
1 878 . 9 1 1 A 78 78 LYS C C 78 177.591 178.330 -0.739 1
1 879 . 9 1 1 A 78 78 LYS CA C 78 57.728 59.236 -1.508 1
1 880 . 9 1 1 A 78 78 LYS CB C 78 32.601 32.117 0.484 1
1 884 . 9 1 1 A 78 78 LYS N N 78 122.041 121.594 0.447 1
1 885 . 9 1 1 A 79 79 ARG H H 79 8.053 8.203 -0.150 1
1 886 . 9 1 1 A 79 79 ARG HA H 79 4.196 3.898 0.298 1
1 891 . 9 1 1 A 79 79 ARG C C 79 177.448 178.766 -1.318 1
1 892 . 9 1 1 A 79 79 ARG CA C 79 57.639 59.363 -1.724 1
1 893 . 9 1 1 A 79 79 ARG CB C 79 30.531 29.702 0.829 1
1 896 . 9 1 1 A 79 79 ARG N N 79 120.496 119.353 1.143 1
1 897 . 9 1 1 A 80 80 ARG H H 80 8.083 7.718 0.365 1
1 898 . 9 1 1 A 80 80 ARG HA H 80 4.193 4.083 0.110 1
1 904 . 9 1 1 A 80 80 ARG C C 80 176.786 178.382 -1.596 1
1 905 . 9 1 1 A 80 80 ARG CA C 80 57.196 58.895 -1.699 1
1 906 . 9 1 1 A 80 80 ARG CB C 80 30.531 30.020 0.511 1
1 909 . 9 1 1 A 80 80 ARG N N 80 120.092 119.471 0.621 1
1 910 . 9 1 1 A 81 81 ALA H H 81 8.062 7.695 0.367 1
1 911 . 9 1 1 A 81 81 ALA HA H 81 4.256 4.092 0.164 1
1 915 . 9 1 1 A 81 81 ALA C C 81 178.013 180.026 -2.013 1
1 916 . 9 1 1 A 81 81 ALA CA C 81 53.141 53.881 -0.740 1
1 917 . 9 1 1 A 81 81 ALA CB C 81 19.003 18.271 0.732 1
1 918 . 9 1 1 A 81 81 ALA N N 81 123.434 121.511 1.923 1
1 919 . 9 1 1 A 82 82 ASN H H 82 8.219 7.895 0.324 1
1 920 . 9 1 1 A 82 82 ASN HA H 82 4.661 4.463 0.198 1
1 925 . 9 1 1 A 82 82 ASN C C 82 175.620 176.767 -1.147 1
1 926 . 9 1 1 A 82 82 ASN CA C 82 53.686 55.550 -1.864 1
1 927 . 9 1 1 A 82 82 ASN CB C 82 38.672 38.425 0.247 1
1 928 . 9 1 1 A 82 82 ASN N N 82 117.551 117.067 0.484 1
1 930 . 9 1 1 A 83 83 ILE H H 83 7.949 7.474 0.475 1
1 931 . 9 1 1 A 83 83 ILE HA H 83 4.077 4.347 -0.270 1
1 941 . 9 1 1 A 83 83 ILE C C 83 176.291 176.037 0.254 1
1 942 . 9 1 1 A 83 83 ILE CA C 83 61.695 60.932 0.763 1
1 943 . 9 1 1 A 83 83 ILE CB C 83 38.672 36.244 2.428 1
1 947 . 9 1 1 A 83 83 ILE N N 83 120.666 117.152 3.514 1
1 948 . 9 1 1 A 84 84 ALA H H 84 8.184 7.928 0.256 1
1 949 . 9 1 1 A 84 84 ALA HA H 84 4.262 4.417 -0.155 1
1 953 . 9 1 1 A 84 84 ALA C C 84 177.794 176.558 1.236 1
1 954 . 9 1 1 A 84 84 ALA CA C 84 53.005 51.659 1.346 1
1 955 . 9 1 1 A 84 84 ALA CB C 84 18.941 18.307 0.634 1
1 956 . 9 1 1 A 84 84 ALA N N 84 126.306 125.653 0.653 1
1 957 . 9 1 1 A 85 85 ALA H H 85 8.019 8.118 -0.099 1
1 958 . 9 1 1 A 85 85 ALA HA H 85 4.263 4.040 0.223 1
1 962 . 9 1 1 A 85 85 ALA C C 85 178.143 177.213 0.930 1
1 963 . 9 1 1 A 85 85 ALA CA C 85 52.857 52.992 -0.135 1
1 964 . 9 1 1 A 85 85 ALA CB C 85 19.170 17.410 1.760 1
1 965 . 9 1 1 A 85 85 ALA N N 85 122.320 117.296 5.024 1
1 966 . 9 1 1 A 86 86 ILE H H 86 7.959 7.709 0.250 1
1 967 . 9 1 1 A 86 86 ILE HA H 86 4.077 3.724 0.353 1
1 977 . 9 1 1 A 86 86 ILE C C 86 176.697 176.623 0.074 1
1 978 . 9 1 1 A 86 86 ILE CA C 86 61.654 65.146 -3.492 1
1 979 . 9 1 1 A 86 86 ILE CB C 86 38.603 37.866 0.737 1
1 983 . 9 1 1 A 86 86 ILE N N 86 119.762 117.557 2.205 1
1 984 . 9 1 1 A 87 87 LEU H H 87 8.219 7.794 0.425 1
1 985 . 9 1 1 A 87 87 LEU HA H 87 4.340 4.290 0.050 1
1 995 . 9 1 1 A 87 87 LEU C C 87 177.616 176.171 1.445 1
1 996 . 9 1 1 A 87 87 LEU CA C 87 55.425 54.380 1.045 1
1 997 . 9 1 1 A 87 87 LEU CB C 87 42.328 42.606 -0.278 1
1 1001 . 9 1 1 A 87 87 LEU N N 87 125.404 120.231 5.173 1
1 1002 . 9 1 1 A 88 88 GLU H H 88 8.321 8.489 -0.168 1
1 1003 . 9 1 1 A 88 88 GLU HA H 88 4.287 5.049 -0.762 1
1 1008 . 9 1 1 A 88 88 GLU C C 88 176.636 177.116 -0.480 1
1 1009 . 9 1 1 A 88 88 GLU CA C 88 56.872 54.898 1.974 1
1 1010 . 9 1 1 A 88 88 GLU CB C 88 30.186 31.297 -1.111 1
1 1012 . 9 1 1 A 88 88 GLU N N 88 121.673 121.788 -0.115 1
1 1013 . 9 1 1 A 89 89 SER H H 89 8.254 8.778 -0.524 1
1 1014 . 9 1 1 A 89 89 SER HA H 89 4.483 4.304 0.179 1
1 1017 . 9 1 1 A 89 89 SER C C 89 174.693 174.129 0.564 1
1 1018 . 9 1 1 A 89 89 SER CA C 89 58.395 61.108 -2.713 1
1 1019 . 9 1 1 A 89 89 SER CB C 89 64.017 63.427 0.590 1
1 1020 . 9 1 1 A 89 89 SER N N 89 116.276 118.191 -1.915 1
1 1021 . 9 1 1 A 90 90 SER H H 90 8.346 7.615 0.731 1
1 1022 . 9 1 1 A 90 90 SER HA H 90 4.478 4.770 -0.292 1
1 1024 . 9 1 1 A 90 90 SER C C 90 174.564 172.770 1.794 1
1 1025 . 9 1 1 A 90 90 SER CA C 90 58.525 57.359 1.166 1
1 1026 . 9 1 1 A 90 90 SER CB C 90 64.129 65.518 -1.389 1
1 1027 . 9 1 1 A 90 90 SER N N 90 117.689 114.122 3.567 1
1 1028 . 9 1 1 A 91 91 GLY H H 91 8.213 8.569 -0.356 1
1 1029 . 9 1 1 A 91 91 GLY HA2 H 91 4.112 4.169 -0.057 1
1 1030 . 9 1 1 A 91 91 GLY HA3 H 91 4.112 4.169 -0.057 1
1 1031 . 9 1 1 A 91 91 GLY C C 91 171.803 173.794 -1.991 1
1 1032 . 9 1 1 A 91 91 GLY CA C 91 44.743 44.892 -0.149 1
1 1033 . 9 1 1 A 91 91 GLY N N 91 110.570 112.103 -1.533 1
1 1034 . 9 1 1 A 92 92 PRO HA H 92 4.530 4.567 -0.037 1
1 1035 . 9 1 1 A 93 93 SER HA H 93 4.498 4.622 -0.124 1
1 1037 . 9 1 1 A 93 93 SER C C 93 173.981 173.157 0.824 1
1 1038 . 9 1 1 A 93 93 SER CA C 93 57.378 57.057 0.321 1
1 1039 . 9 1 1 A 93 93 SER CB C 93 58.505 63.721 -5.216 1
1 1040 . 9 1 1 A 94 94 SER H H 94 8.032 8.904 -0.872 1
1 1041 . 9 1 1 A 94 94 SER HA H 94 4.498 4.739 -0.241 1
1 1043 . 9 1 1 A 94 94 SER C C 94 173.955 176.185 -2.230 1
1 1044 . 9 1 1 A 94 94 SER CA C 94 58.436 57.892 0.544 1
1 1045 . 9 1 1 A 94 94 SER CB C 94 64.017 63.977 0.040 1
1 1046 . 9 1 1 A 94 94 SER N N 94 116.327 123.367 -7.040 1
1 1 . 10 1 1 A 11 11 ARG HA H 11 4.442 4.367 0.075 1
1 6 . 10 1 1 A 11 11 ARG C C 11 175.365 176.006 -0.641 1
1 7 . 10 1 1 A 11 11 ARG CA C 11 55.738 56.129 -0.391 1
1 8 . 10 1 1 A 11 11 ARG CB C 11 31.419 31.263 0.156 1
1 11 . 10 1 1 A 12 12 PHE H H 12 8.430 8.432 -0.002 1
1 12 . 10 1 1 A 12 12 PHE HA H 12 4.481 4.305 0.176 1
1 20 . 10 1 1 A 12 12 PHE C C 12 174.869 175.256 -0.387 1
1 21 . 10 1 1 A 12 12 PHE CA C 12 58.525 59.300 -0.775 1
1 22 . 10 1 1 A 12 12 PHE CB C 12 39.955 39.428 0.527 1
1 28 . 10 1 1 A 12 12 PHE N N 12 123.637 122.839 0.798 1
1 29 . 10 1 1 A 13 13 THR H H 13 7.543 8.361 -0.818 1
1 30 . 10 1 1 A 13 13 THR HA H 13 4.216 4.192 0.024 1
1 35 . 10 1 1 A 13 13 THR C C 13 172.757 172.865 -0.108 1
1 36 . 10 1 1 A 13 13 THR CA C 13 60.703 62.359 -1.656 1
1 37 . 10 1 1 A 13 13 THR CB C 13 70.578 69.418 1.160 1
1 39 . 10 1 1 A 13 13 THR N N 13 122.237 120.226 2.011 1
1 40 . 10 1 1 A 14 14 TRP H H 14 8.427 8.640 -0.213 1
1 41 . 10 1 1 A 14 14 TRP HA H 14 4.195 4.891 -0.696 1
1 50 . 10 1 1 A 14 14 TRP C C 14 177.225 175.832 1.393 1
1 51 . 10 1 1 A 14 14 TRP CA C 14 57.137 55.262 1.875 1
1 52 . 10 1 1 A 14 14 TRP CB C 14 29.919 31.615 -1.696 1
1 58 . 10 1 1 A 14 14 TRP N N 14 125.363 126.899 -1.536 1
1 60 . 10 1 1 A 15 15 ARG H H 15 8.790 9.183 -0.393 1
1 61 . 10 1 1 A 15 15 ARG HA H 15 4.436 4.405 0.031 1
1 67 . 10 1 1 A 15 15 ARG C C 15 176.254 177.690 -1.436 1
1 68 . 10 1 1 A 15 15 ARG CA C 15 54.848 55.880 -1.032 1
1 69 . 10 1 1 A 15 15 ARG CB C 15 30.217 31.194 -0.977 1
1 72 . 10 1 1 A 15 15 ARG N N 15 124.453 123.964 0.489 1
1 73 . 10 1 1 A 16 16 LYS H H 16 7.990 9.045 -1.055 1
1 74 . 10 1 1 A 16 16 LYS HA H 16 3.949 3.933 0.016 1
1 81 . 10 1 1 A 16 16 LYS C C 16 179.133 178.226 0.907 1
1 82 . 10 1 1 A 16 16 LYS CA C 16 60.206 59.459 0.747 1
1 83 . 10 1 1 A 16 16 LYS CB C 16 32.102 32.240 -0.138 1
1 87 . 10 1 1 A 16 16 LYS N N 16 120.654 124.156 -3.502 1
1 88 . 10 1 1 A 17 17 GLU H H 17 10.775 8.300 2.475 1
1 89 . 10 1 1 A 17 17 GLU HA H 17 4.126 4.032 0.094 1
1 94 . 10 1 1 A 17 17 GLU C C 17 179.581 179.120 0.461 1
1 95 . 10 1 1 A 17 17 GLU CA C 17 60.262 59.239 1.023 1
1 96 . 10 1 1 A 17 17 GLU CB C 17 28.944 29.763 -0.819 1
1 98 . 10 1 1 A 17 17 GLU N N 17 119.914 119.121 0.793 1
1 99 . 10 1 1 A 18 18 CYS H H 18 7.314 8.327 -1.013 1
1 100 . 10 1 1 A 18 18 CYS HA H 18 4.166 4.274 -0.108 1
1 103 . 10 1 1 A 18 18 CYS C C 18 176.250 177.464 -1.214 1
1 104 . 10 1 1 A 18 18 CYS CA C 18 61.093 63.029 -1.936 1
1 105 . 10 1 1 A 18 18 CYS CB C 18 27.636 27.051 0.585 1
1 106 . 10 1 1 A 18 18 CYS N N 18 115.339 118.971 -3.632 1
1 107 . 10 1 1 A 19 19 LEU H H 19 7.975 8.300 -0.325 1
1 108 . 10 1 1 A 19 19 LEU HA H 19 3.365 3.533 -0.168 1
1 118 . 10 1 1 A 19 19 LEU C C 19 178.119 179.191 -1.072 1
1 119 . 10 1 1 A 19 19 LEU CA C 19 58.084 57.571 0.513 1
1 120 . 10 1 1 A 19 19 LEU CB C 19 40.713 40.861 -0.148 1
1 124 . 10 1 1 A 19 19 LEU N N 19 120.346 122.887 -2.541 1
1 125 . 10 1 1 A 20 20 ALA H H 20 7.481 7.564 -0.083 1
1 126 . 10 1 1 A 20 20 ALA HA H 20 4.079 4.025 0.054 1
1 130 . 10 1 1 A 20 20 ALA C C 20 180.800 180.505 0.295 1
1 131 . 10 1 1 A 20 20 ALA CA C 20 55.172 55.006 0.166 1
1 132 . 10 1 1 A 20 20 ALA CB C 20 17.975 18.190 -0.215 1
1 133 . 10 1 1 A 20 20 ALA N N 20 119.101 122.470 -3.369 1
1 134 . 10 1 1 A 21 21 VAL H H 21 6.932 7.424 -0.492 1
1 135 . 10 1 1 A 21 21 VAL HA H 21 3.752 3.484 0.268 1
1 143 . 10 1 1 A 21 21 VAL C C 21 178.850 177.978 0.872 1
1 144 . 10 1 1 A 21 21 VAL CA C 21 66.018 67.276 -1.258 1
1 145 . 10 1 1 A 21 21 VAL CB C 21 32.168 31.461 0.707 1
1 148 . 10 1 1 A 21 21 VAL N N 21 118.965 118.092 0.873 1
1 149 . 10 1 1 A 22 22 MET H H 22 7.925 7.698 0.227 1
1 150 . 10 1 1 A 22 22 MET HA H 22 3.894 4.093 -0.199 1
1 158 . 10 1 1 A 22 22 MET C C 22 177.997 178.621 -0.624 1
1 159 . 10 1 1 A 22 22 MET CA C 22 60.060 58.799 1.261 1
1 160 . 10 1 1 A 22 22 MET CB C 22 30.494 31.899 -1.405 1
1 163 . 10 1 1 A 22 22 MET N N 22 118.668 117.058 1.610 1
1 164 . 10 1 1 A 23 23 GLU H H 23 8.452 7.474 0.978 1
1 165 . 10 1 1 A 23 23 GLU HA H 23 4.048 4.132 -0.084 1
1 170 . 10 1 1 A 23 23 GLU C C 23 178.809 179.203 -0.394 1
1 171 . 10 1 1 A 23 23 GLU CA C 23 59.676 59.194 0.482 1
1 172 . 10 1 1 A 23 23 GLU CB C 23 29.289 29.370 -0.081 1
1 174 . 10 1 1 A 23 23 GLU N N 23 118.239 119.174 -0.935 1
1 175 . 10 1 1 A 24 24 SER H H 24 7.431 7.425 0.006 1
1 176 . 10 1 1 A 24 24 SER HA H 24 4.279 4.260 0.019 1
1 179 . 10 1 1 A 24 24 SER C C 24 177.916 177.249 0.667 1
1 180 . 10 1 1 A 24 24 SER CA C 24 61.785 61.642 0.143 1
1 181 . 10 1 1 A 24 24 SER CB C 24 62.616 63.263 -0.647 1
1 182 . 10 1 1 A 24 24 SER N N 24 113.792 116.011 -2.219 1
1 183 . 10 1 1 A 25 25 TYR H H 25 7.845 8.249 -0.404 1
1 184 . 10 1 1 A 25 25 TYR HA H 25 4.354 4.370 -0.016 1
1 191 . 10 1 1 A 25 25 TYR C C 25 178.789 178.903 -0.114 1
1 192 . 10 1 1 A 25 25 TYR CA C 25 63.193 60.824 2.369 1
1 193 . 10 1 1 A 25 25 TYR CB C 25 38.706 37.935 0.771 1
1 198 . 10 1 1 A 25 25 TYR N N 25 120.184 119.515 0.669 1
1 199 . 10 1 1 A 26 26 PHE H H 26 9.279 8.417 0.862 1
1 200 . 10 1 1 A 26 26 PHE HA H 26 4.237 4.746 -0.509 1
1 208 . 10 1 1 A 26 26 PHE C C 26 175.885 177.992 -2.107 1
1 209 . 10 1 1 A 26 26 PHE CA C 26 62.008 61.452 0.556 1
1 210 . 10 1 1 A 26 26 PHE CB C 26 39.072 39.152 -0.080 1
1 216 . 10 1 1 A 26 26 PHE N N 26 123.634 120.627 3.007 1
1 217 . 10 1 1 A 27 27 ASN H H 27 7.807 8.088 -0.281 1
1 218 . 10 1 1 A 27 27 ASN HA H 27 4.409 4.585 -0.176 1
1 223 . 10 1 1 A 27 27 ASN C C 27 176.108 177.367 -1.259 1
1 224 . 10 1 1 A 27 27 ASN CA C 27 55.307 56.379 -1.072 1
1 225 . 10 1 1 A 27 27 ASN CB C 27 38.810 38.015 0.795 1
1 226 . 10 1 1 A 27 27 ASN N N 27 112.896 117.595 -4.699 1
1 228 . 10 1 1 A 28 28 GLU H H 28 7.431 7.947 -0.516 1
1 229 . 10 1 1 A 28 28 GLU HA H 28 4.274 4.295 -0.021 1
1 234 . 10 1 1 A 28 28 GLU C C 28 176.880 176.418 0.462 1
1 235 . 10 1 1 A 28 28 GLU CA C 28 57.875 58.013 -0.138 1
1 236 . 10 1 1 A 28 28 GLU CB C 28 30.965 29.657 1.308 1
1 238 . 10 1 1 A 28 28 GLU N N 28 117.899 114.745 3.154 1
1 239 . 10 1 1 A 29 29 ASN H H 29 7.950 8.127 -0.177 1
1 240 . 10 1 1 A 29 29 ASN HA H 29 4.562 4.990 -0.428 1
1 245 . 10 1 1 A 29 29 ASN C C 29 174.036 174.727 -0.691 1
1 246 . 10 1 1 A 29 29 ASN CA C 29 53.654 52.957 0.697 1
1 247 . 10 1 1 A 29 29 ASN CB C 29 39.361 40.866 -1.505 1
1 248 . 10 1 1 A 29 29 ASN N N 29 116.656 117.427 -0.771 1
1 250 . 10 1 1 A 30 30 GLN H H 30 8.658 8.399 0.259 1
1 251 . 10 1 1 A 30 30 GLN HA H 30 3.848 3.247 0.601 1
1 258 . 10 1 1 A 30 30 GLN C C 30 174.503 175.450 -0.947 1
1 259 . 10 1 1 A 30 30 GLN CA C 30 57.336 57.839 -0.503 1
1 260 . 10 1 1 A 30 30 GLN CB C 30 27.978 29.159 -1.181 1
1 262 . 10 1 1 A 30 30 GLN N N 30 122.486 123.132 -0.646 1
1 264 . 10 1 1 A 31 31 TYR H H 31 8.181 7.974 0.207 1
1 265 . 10 1 1 A 31 31 TYR HA H 31 4.769 5.069 -0.300 1
1 272 . 10 1 1 A 31 31 TYR C C 31 172.816 173.036 -0.220 1
1 273 . 10 1 1 A 31 31 TYR CA C 31 55.409 53.984 1.425 1
1 274 . 10 1 1 A 31 31 TYR CB C 31 38.938 38.775 0.163 1
1 279 . 10 1 1 A 31 31 TYR N N 31 116.012 117.484 -1.472 1
1 280 . 10 1 1 A 32 32 PRO HA H 32 4.320 4.533 -0.213 1
1 287 . 10 1 1 A 32 32 PRO C C 32 177.530 176.944 0.586 1
1 288 . 10 1 1 A 32 32 PRO CA C 32 63.041 62.812 0.229 1
1 289 . 10 1 1 A 32 32 PRO CB C 32 31.052 32.126 -1.074 1
1 292 . 10 1 1 A 33 33 ASP H H 33 8.439 8.399 0.040 1
1 293 . 10 1 1 A 33 33 ASP HA H 33 4.475 4.678 -0.203 1
1 296 . 10 1 1 A 33 33 ASP C C 33 175.397 177.581 -2.184 1
1 297 . 10 1 1 A 33 33 ASP CA C 33 52.562 54.166 -1.604 1
1 298 . 10 1 1 A 33 33 ASP CB C 33 40.363 41.857 -1.494 1
1 299 . 10 1 1 A 33 33 ASP N N 33 125.278 122.077 3.201 1
1 300 . 10 1 1 A 34 34 GLU H H 34 8.644 8.827 -0.183 1
1 301 . 10 1 1 A 34 34 GLU HA H 34 3.613 3.867 -0.254 1
1 306 . 10 1 1 A 34 34 GLU C C 34 178.261 178.506 -0.245 1
1 307 . 10 1 1 A 34 34 GLU CA C 34 61.565 59.107 2.458 1
1 308 . 10 1 1 A 34 34 GLU CB C 34 29.289 29.346 -0.057 1
1 310 . 10 1 1 A 34 34 GLU N N 34 118.756 121.238 -2.482 1
1 311 . 10 1 1 A 35 35 ALA H H 35 8.121 8.108 0.013 1
1 312 . 10 1 1 A 35 35 ALA HA H 35 4.155 4.062 0.093 1
1 316 . 10 1 1 A 35 35 ALA C C 35 181.307 179.607 1.700 1
1 317 . 10 1 1 A 35 35 ALA CA C 35 54.953 55.188 -0.235 1
1 318 . 10 1 1 A 35 35 ALA CB C 35 17.975 18.340 -0.365 1
1 319 . 10 1 1 A 35 35 ALA N N 35 121.196 122.037 -0.841 1
1 320 . 10 1 1 A 36 36 LYS H H 36 8.448 7.908 0.540 1
1 321 . 10 1 1 A 36 36 LYS HA H 36 4.157 4.020 0.137 1
1 330 . 10 1 1 A 36 36 LYS C C 36 178.769 178.641 0.128 1
1 331 . 10 1 1 A 36 36 LYS CA C 36 56.576 59.633 -3.057 1
1 332 . 10 1 1 A 36 36 LYS CB C 36 29.689 32.184 -2.495 1
1 336 . 10 1 1 A 36 36 LYS N N 36 121.690 118.432 3.258 1
1 337 . 10 1 1 A 37 37 ARG H H 37 8.977 8.035 0.942 1
1 338 . 10 1 1 A 37 37 ARG HA H 37 3.711 3.952 -0.241 1
1 345 . 10 1 1 A 37 37 ARG C C 37 178.444 179.128 -0.684 1
1 346 . 10 1 1 A 37 37 ARG CA C 37 61.131 59.517 1.614 1
1 347 . 10 1 1 A 37 37 ARG CB C 37 30.941 30.079 0.862 1
1 350 . 10 1 1 A 37 37 ARG N N 37 117.588 118.635 -1.047 1
1 351 . 10 1 1 A 38 38 GLU H H 38 7.750 7.920 -0.170 1
1 352 . 10 1 1 A 38 38 GLU HA H 38 4.083 4.086 -0.003 1
1 357 . 10 1 1 A 38 38 GLU C C 38 178.301 179.509 -1.208 1
1 358 . 10 1 1 A 38 38 GLU CA C 38 59.321 59.045 0.276 1
1 359 . 10 1 1 A 38 38 GLU CB C 38 29.013 29.571 -0.558 1
1 361 . 10 1 1 A 38 38 GLU N N 38 119.080 120.034 -0.954 1
1 362 . 10 1 1 A 39 39 GLU H H 39 7.540 7.873 -0.333 1
1 363 . 10 1 1 A 39 39 GLU HA H 39 4.048 4.103 -0.055 1
1 368 . 10 1 1 A 39 39 GLU C C 39 179.784 178.886 0.898 1
1 369 . 10 1 1 A 39 39 GLU CA C 39 59.646 59.054 0.592 1
1 370 . 10 1 1 A 39 39 GLU CB C 39 29.409 29.749 -0.340 1
1 372 . 10 1 1 A 39 39 GLU N N 39 121.188 119.508 1.680 1
1 373 . 10 1 1 A 40 40 ILE H H 40 8.634 7.888 0.746 1
1 374 . 10 1 1 A 40 40 ILE HA H 40 3.133 3.341 -0.208 1
1 384 . 10 1 1 A 40 40 ILE C C 40 178.119 177.618 0.501 1
1 385 . 10 1 1 A 40 40 ILE CA C 40 65.462 62.883 2.579 1
1 386 . 10 1 1 A 40 40 ILE CB C 40 37.951 36.692 1.259 1
1 390 . 10 1 1 A 40 40 ILE N N 40 121.126 120.105 1.021 1
1 391 . 10 1 1 A 41 41 ALA H H 41 8.462 8.030 0.432 1
1 392 . 10 1 1 A 41 41 ALA HA H 41 3.713 3.959 -0.246 1
1 396 . 10 1 1 A 41 41 ALA C C 41 178.850 180.103 -1.253 1
1 397 . 10 1 1 A 41 41 ALA CA C 41 56.014 55.339 0.675 1
1 398 . 10 1 1 A 41 41 ALA CB C 41 16.779 17.914 -1.135 1
1 399 . 10 1 1 A 41 41 ALA N N 41 123.029 123.750 -0.721 1
1 400 . 10 1 1 A 42 42 ASN H H 42 8.264 8.596 -0.332 1
1 401 . 10 1 1 A 42 42 ASN HA H 42 4.521 4.445 0.076 1
1 406 . 10 1 1 A 42 42 ASN C C 42 178.220 177.623 0.597 1
1 407 . 10 1 1 A 42 42 ASN CA C 42 56.193 55.894 0.299 1
1 408 . 10 1 1 A 42 42 ASN CB C 42 37.775 37.783 -0.008 1
1 409 . 10 1 1 A 42 42 ASN N N 42 115.462 118.029 -2.567 1
1 411 . 10 1 1 A 43 43 ALA H H 43 8.403 7.602 0.801 1
1 412 . 10 1 1 A 43 43 ALA HA H 43 4.273 4.128 0.145 1
1 416 . 10 1 1 A 43 43 ALA C C 43 180.962 180.135 0.827 1
1 417 . 10 1 1 A 43 43 ALA CA C 43 55.200 55.043 0.157 1
1 418 . 10 1 1 A 43 43 ALA CB C 43 18.478 18.011 0.467 1
1 419 . 10 1 1 A 43 43 ALA N N 43 125.139 122.119 3.020 1
1 420 . 10 1 1 A 44 44 CYS H H 44 8.457 7.673 0.784 1
1 421 . 10 1 1 A 44 44 CYS HA H 44 4.156 4.146 0.010 1
1 424 . 10 1 1 A 44 44 CYS C C 44 176.534 177.181 -0.647 1
1 425 . 10 1 1 A 44 44 CYS CA C 44 64.768 63.584 1.184 1
1 426 . 10 1 1 A 44 44 CYS CB C 44 27.644 27.065 0.579 1
1 427 . 10 1 1 A 44 44 CYS N N 44 116.609 115.931 0.678 1
1 428 . 10 1 1 A 45 45 ASN H H 45 8.346 7.872 0.474 1
1 429 . 10 1 1 A 45 45 ASN HA H 45 4.613 4.504 0.109 1
1 434 . 10 1 1 A 45 45 ASN C C 45 177.631 177.752 -0.121 1
1 435 . 10 1 1 A 45 45 ASN CA C 45 55.723 56.108 -0.385 1
1 436 . 10 1 1 A 45 45 ASN CB C 45 37.526 37.978 -0.452 1
1 437 . 10 1 1 A 45 45 ASN N N 45 117.491 118.782 -1.291 1
1 439 . 10 1 1 A 46 46 ALA H H 46 8.014 7.602 0.412 1
1 440 . 10 1 1 A 46 46 ALA HA H 46 4.200 4.045 0.155 1
1 444 . 10 1 1 A 46 46 ALA C C 46 180.292 179.728 0.564 1
1 445 . 10 1 1 A 46 46 ALA CA C 46 54.805 55.073 -0.268 1
1 446 . 10 1 1 A 46 46 ALA CB C 46 18.283 18.318 -0.035 1
1 447 . 10 1 1 A 46 46 ALA N N 46 120.198 123.453 -3.255 1
1 448 . 10 1 1 A 47 47 VAL H H 47 7.240 7.948 -0.708 1
1 449 . 10 1 1 A 47 47 VAL HA H 47 4.306 3.809 0.497 1
1 457 . 10 1 1 A 47 47 VAL C C 47 177.083 177.295 -0.212 1
1 458 . 10 1 1 A 47 47 VAL CA C 47 63.484 65.511 -2.027 1
1 459 . 10 1 1 A 47 47 VAL CB C 47 31.935 31.552 0.383 1
1 462 . 10 1 1 A 47 47 VAL N N 47 110.165 116.461 -6.296 1
1 463 . 10 1 1 A 48 48 ILE H H 48 7.146 7.350 -0.204 1
1 464 . 10 1 1 A 48 48 ILE HA H 48 4.473 4.319 0.154 1
1 474 . 10 1 1 A 48 48 ILE C C 48 175.966 176.042 -0.076 1
1 475 . 10 1 1 A 48 48 ILE CA C 48 62.055 62.720 -0.665 1
1 476 . 10 1 1 A 48 48 ILE CB C 48 39.444 38.508 0.936 1
1 480 . 10 1 1 A 48 48 ILE N N 48 112.085 116.525 -4.440 1
1 481 . 10 1 1 A 49 49 GLN H H 49 7.671 7.920 -0.249 1
1 482 . 10 1 1 A 49 49 GLN HA H 49 4.254 4.147 0.107 1
1 489 . 10 1 1 A 49 49 GLN C C 49 175.417 175.725 -0.308 1
1 490 . 10 1 1 A 49 49 GLN CA C 49 56.370 56.057 0.313 1
1 491 . 10 1 1 A 49 49 GLN CB C 49 29.289 28.846 0.443 1
1 493 . 10 1 1 A 49 49 GLN N N 49 123.076 122.933 0.143 1
1 495 . 10 1 1 A 50 50 LYS H H 50 8.932 8.488 0.444 1
1 496 . 10 1 1 A 50 50 LYS HA H 50 4.760 4.703 0.057 1
1 502 . 10 1 1 A 50 50 LYS C C 50 174.497 174.358 0.139 1
1 503 . 10 1 1 A 50 50 LYS CA C 50 53.341 53.732 -0.391 1
1 504 . 10 1 1 A 50 50 LYS CB C 50 32.860 31.837 1.023 1
1 506 . 10 1 1 A 50 50 LYS N N 50 127.505 126.537 0.968 1
1 507 . 10 1 1 A 51 51 PRO HA H 51 4.328 4.300 0.028 1
1 514 . 10 1 1 A 51 51 PRO CA C 51 64.015 63.744 0.271 1
1 515 . 10 1 1 A 51 51 PRO CB C 51 31.590 31.266 0.324 1
1 518 . 10 1 1 A 52 52 GLY H H 52 8.752 8.775 -0.023 1
1 519 . 10 1 1 A 52 52 GLY HA2 H 52 4.113 3.960 0.153 1
1 520 . 10 1 1 A 52 52 GLY HA3 H 52 3.728 3.961 -0.233 1
1 521 . 10 1 1 A 52 52 GLY C C 52 173.732 173.477 0.255 1
1 522 . 10 1 1 A 52 52 GLY CA C 52 45.646 45.669 -0.023 1
1 523 . 10 1 1 A 53 53 LYS H H 53 7.734 7.399 0.335 1
1 524 . 10 1 1 A 53 53 LYS HA H 53 4.621 4.732 -0.111 1
1 531 . 10 1 1 A 53 53 LYS C C 53 175.681 174.150 1.531 1
1 532 . 10 1 1 A 53 53 LYS CA C 53 54.451 54.595 -0.144 1
1 533 . 10 1 1 A 53 53 LYS CB C 53 34.466 35.426 -0.960 1
1 537 . 10 1 1 A 53 53 LYS N N 53 120.205 121.018 -0.813 1
1 538 . 10 1 1 A 54 54 LYS H H 54 8.536 8.781 -0.245 1
1 539 . 10 1 1 A 54 54 LYS HA H 54 4.412 4.827 -0.415 1
1 546 . 10 1 1 A 54 54 LYS C C 54 177.022 176.440 0.582 1
1 547 . 10 1 1 A 54 54 LYS CA C 54 55.691 54.633 1.058 1
1 548 . 10 1 1 A 54 54 LYS CB C 54 33.453 34.812 -1.359 1
1 552 . 10 1 1 A 54 54 LYS N N 54 124.424 126.104 -1.680 1
1 553 . 10 1 1 A 55 55 LEU H H 55 8.656 8.531 0.125 1
1 554 . 10 1 1 A 55 55 LEU HA H 55 4.407 4.266 0.141 1
1 564 . 10 1 1 A 55 55 LEU C C 55 177.448 176.639 0.809 1
1 565 . 10 1 1 A 55 55 LEU CA C 55 54.670 55.138 -0.468 1
1 566 . 10 1 1 A 55 55 LEU CB C 55 43.243 42.321 0.922 1
1 570 . 10 1 1 A 55 55 LEU N N 55 126.145 126.451 -0.306 1
1 571 . 10 1 1 A 56 56 SER H H 56 9.313 8.836 0.477 1
1 572 . 10 1 1 A 56 56 SER HA H 56 4.496 4.735 -0.239 1
1 575 . 10 1 1 A 56 56 SER C C 56 175.226 175.137 0.089 1
1 576 . 10 1 1 A 56 56 SER CA C 56 57.507 57.514 -0.007 1
1 577 . 10 1 1 A 56 56 SER CB C 56 64.802 65.341 -0.539 1
1 578 . 10 1 1 A 56 56 SER N N 56 121.790 117.890 3.900 1
1 579 . 10 1 1 A 57 57 ASP H H 57 8.929 8.956 -0.027 1
1 580 . 10 1 1 A 57 57 ASP HA H 57 4.314 4.263 0.051 1
1 583 . 10 1 1 A 57 57 ASP C C 57 177.855 178.482 -0.627 1
1 584 . 10 1 1 A 57 57 ASP CA C 57 57.403 56.532 0.871 1
1 585 . 10 1 1 A 57 57 ASP CB C 57 40.353 39.948 0.405 1
1 586 . 10 1 1 A 58 58 LEU H H 58 7.824 7.949 -0.125 1
1 587 . 10 1 1 A 58 58 LEU HA H 58 4.194 4.000 0.194 1
1 597 . 10 1 1 A 58 58 LEU C C 58 177.509 178.583 -1.074 1
1 598 . 10 1 1 A 58 58 LEU CA C 58 56.754 57.651 -0.897 1
1 599 . 10 1 1 A 58 58 LEU CB C 58 42.259 41.507 0.752 1
1 603 . 10 1 1 A 58 58 LEU N N 58 117.552 120.712 -3.160 1
1 604 . 10 1 1 A 59 59 GLU H H 59 7.325 7.593 -0.268 1
1 605 . 10 1 1 A 59 59 GLU HA H 59 4.286 4.535 -0.249 1
1 610 . 10 1 1 A 59 59 GLU C C 59 175.661 176.529 -0.868 1
1 611 . 10 1 1 A 59 59 GLU CA C 59 56.370 56.851 -0.481 1
1 612 . 10 1 1 A 59 59 GLU CB C 59 32.314 30.717 1.597 1
1 614 . 10 1 1 A 59 59 GLU N N 59 115.631 116.399 -0.768 1
1 615 . 10 1 1 A 60 60 ARG H H 60 7.408 7.841 -0.433 1
1 616 . 10 1 1 A 60 60 ARG HA H 60 3.948 4.217 -0.269 1
1 623 . 10 1 1 A 60 60 ARG C C 60 175.194 175.180 0.014 1
1 624 . 10 1 1 A 60 60 ARG CA C 60 57.167 56.688 0.479 1
1 625 . 10 1 1 A 60 60 ARG CB C 60 31.083 30.595 0.488 1
1 628 . 10 1 1 A 60 60 ARG N N 60 118.018 121.563 -3.545 1
1 629 . 10 1 1 A 61 61 VAL H H 61 10.175 9.058 1.117 1
1 630 . 10 1 1 A 61 61 VAL HA H 61 3.462 4.222 -0.760 1
1 638 . 10 1 1 A 61 61 VAL C C 61 175.681 176.164 -0.483 1
1 639 . 10 1 1 A 61 61 VAL CA C 61 65.077 61.449 3.628 1
1 640 . 10 1 1 A 61 61 VAL CB C 61 31.702 31.902 -0.200 1
1 643 . 10 1 1 A 61 61 VAL N N 61 128.658 127.440 1.218 1
1 644 . 10 1 1 A 62 62 THR H H 62 6.270 8.666 -2.396 1
1 645 . 10 1 1 A 62 62 THR HA H 62 4.780 4.687 0.093 1
1 650 . 10 1 1 A 62 62 THR C C 62 175.064 176.282 -1.218 1
1 651 . 10 1 1 A 62 62 THR CA C 62 58.600 60.373 -1.773 1
1 652 . 10 1 1 A 62 62 THR CB C 62 72.355 71.275 1.080 1
1 654 . 10 1 1 A 62 62 THR N N 62 114.178 121.035 -6.857 1
1 655 . 10 1 1 A 63 63 SER HA H 63 3.869 4.154 -0.285 1
1 658 . 10 1 1 A 63 63 SER C C 63 176.656 176.720 -0.064 1
1 659 . 10 1 1 A 63 63 SER CA C 63 61.433 62.028 -0.595 1
1 660 . 10 1 1 A 63 63 SER CB C 63 62.197 62.396 -0.199 1
1 661 . 10 1 1 A 64 64 LEU H H 64 8.062 8.156 -0.094 1
1 662 . 10 1 1 A 64 64 LEU HA H 64 4.367 4.171 0.196 1
1 672 . 10 1 1 A 64 64 LEU C C 64 178.789 179.150 -0.361 1
1 673 . 10 1 1 A 64 64 LEU CA C 64 57.964 57.873 0.091 1
1 674 . 10 1 1 A 64 64 LEU CB C 64 42.052 41.773 0.279 1
1 678 . 10 1 1 A 64 64 LEU N N 64 123.294 125.080 -1.786 1
1 679 . 10 1 1 A 65 65 LYS H H 65 7.524 7.839 -0.315 1
1 680 . 10 1 1 A 65 65 LYS HA H 65 4.292 4.200 0.092 1
1 689 . 10 1 1 A 65 65 LYS C C 65 180.779 179.666 1.113 1
1 690 . 10 1 1 A 65 65 LYS CA C 65 60.266 59.733 0.533 1
1 691 . 10 1 1 A 65 65 LYS CB C 65 32.808 32.533 0.275 1
1 695 . 10 1 1 A 65 65 LYS N N 65 119.262 119.035 0.227 1
1 696 . 10 1 1 A 66 66 VAL H H 66 8.290 7.731 0.559 1
1 697 . 10 1 1 A 66 66 VAL HA H 66 4.075 3.917 0.158 1
1 705 . 10 1 1 A 66 66 VAL C C 66 177.509 177.858 -0.349 1
1 706 . 10 1 1 A 66 66 VAL CA C 66 66.963 66.640 0.323 1
1 707 . 10 1 1 A 66 66 VAL CB C 66 32.419 31.619 0.800 1
1 710 . 10 1 1 A 66 66 VAL N N 66 119.900 120.551 -0.651 1
1 711 . 10 1 1 A 67 67 TYR H H 67 8.893 8.286 0.607 1
1 712 . 10 1 1 A 67 67 TYR HA H 67 3.857 4.185 -0.328 1
1 719 . 10 1 1 A 67 67 TYR C C 67 177.956 178.147 -0.191 1
1 720 . 10 1 1 A 67 67 TYR CA C 67 62.897 61.587 1.310 1
1 721 . 10 1 1 A 67 67 TYR CB C 67 38.326 38.545 -0.219 1
1 726 . 10 1 1 A 67 67 TYR N N 67 120.861 121.327 -0.466 1
1 727 . 10 1 1 A 68 68 ASN H H 68 8.561 8.138 0.423 1
1 728 . 10 1 1 A 68 68 ASN HA H 68 4.545 4.499 0.046 1
1 733 . 10 1 1 A 68 68 ASN C C 68 177.570 178.296 -0.726 1
1 734 . 10 1 1 A 68 68 ASN CA C 68 56.222 56.662 -0.440 1
1 735 . 10 1 1 A 68 68 ASN CB C 68 38.465 38.543 -0.078 1
1 736 . 10 1 1 A 68 68 ASN N N 68 117.386 117.164 0.222 1
1 738 . 10 1 1 A 69 69 TRP H H 69 8.655 8.179 0.476 1
1 739 . 10 1 1 A 69 69 TRP HA H 69 4.151 4.331 -0.180 1
1 748 . 10 1 1 A 69 69 TRP C C 69 179.764 178.205 1.559 1
1 749 . 10 1 1 A 69 69 TRP CA C 69 63.194 61.484 1.710 1
1 750 . 10 1 1 A 69 69 TRP CB C 69 29.720 29.421 0.299 1
1 756 . 10 1 1 A 69 69 TRP N N 69 123.454 122.725 0.729 1
1 758 . 10 1 1 A 70 70 PHE H H 70 9.166 8.528 0.638 1
1 759 . 10 1 1 A 70 70 PHE HA H 70 3.745 4.392 -0.647 1
1 767 . 10 1 1 A 70 70 PHE C C 70 177.469 178.288 -0.819 1
1 768 . 10 1 1 A 70 70 PHE CA C 70 62.862 61.748 1.114 1
1 769 . 10 1 1 A 70 70 PHE CB C 70 39.115 38.127 0.988 1
1 775 . 10 1 1 A 70 70 PHE N N 70 120.259 118.250 2.009 1
1 776 . 10 1 1 A 71 71 ALA H H 71 8.169 8.406 -0.237 1
1 777 . 10 1 1 A 71 71 ALA HA H 71 3.868 3.891 -0.023 1
1 781 . 10 1 1 A 71 71 ALA C C 71 180.698 179.826 0.872 1
1 782 . 10 1 1 A 71 71 ALA CA C 71 55.307 55.146 0.161 1
1 783 . 10 1 1 A 71 71 ALA CB C 71 17.697 18.000 -0.303 1
1 784 . 10 1 1 A 71 71 ALA N N 71 120.051 122.510 -2.459 1
1 785 . 10 1 1 A 72 72 ASN H H 72 7.789 7.765 0.024 1
1 786 . 10 1 1 A 72 72 ASN HA H 72 4.280 4.294 -0.014 1
1 791 . 10 1 1 A 72 72 ASN C C 72 177.022 177.389 -0.367 1
1 792 . 10 1 1 A 72 72 ASN CA C 72 56.222 56.125 0.097 1
1 793 . 10 1 1 A 72 72 ASN CB C 72 38.363 38.487 -0.124 1
1 794 . 10 1 1 A 72 72 ASN N N 72 116.515 116.700 -0.185 1
1 796 . 10 1 1 A 73 73 ARG H H 73 7.999 7.522 0.477 1
1 797 . 10 1 1 A 73 73 ARG HA H 73 3.416 3.638 -0.222 1
1 805 . 10 1 1 A 73 73 ARG C C 73 178.708 178.819 -0.111 1
1 806 . 10 1 1 A 73 73 ARG CA C 73 57.403 59.173 -1.770 1
1 807 . 10 1 1 A 73 73 ARG CB C 73 28.264 29.211 -0.947 1
1 810 . 10 1 1 A 73 73 ARG N N 73 123.203 119.338 3.865 1
1 812 . 10 1 1 A 74 74 ARG H H 74 8.033 8.113 -0.080 1
1 813 . 10 1 1 A 74 74 ARG HA H 74 4.017 4.117 -0.100 1
1 820 . 10 1 1 A 74 74 ARG C C 74 178.850 179.105 -0.255 1
1 821 . 10 1 1 A 74 74 ARG CA C 74 60.414 59.602 0.812 1
1 822 . 10 1 1 A 74 74 ARG CB C 74 31.221 30.035 1.186 1
1 825 . 10 1 1 A 74 74 ARG N N 74 116.187 119.003 -2.816 1
1 826 . 10 1 1 A 75 75 LYS H H 75 7.359 7.910 -0.551 1
1 827 . 10 1 1 A 75 75 LYS HA H 75 4.054 4.039 0.015 1
1 834 . 10 1 1 A 75 75 LYS C C 75 178.301 178.885 -0.584 1
1 835 . 10 1 1 A 75 75 LYS CA C 75 58.908 59.232 -0.324 1
1 836 . 10 1 1 A 75 75 LYS CB C 75 32.463 31.811 0.652 1
1 840 . 10 1 1 A 75 75 LYS N N 75 118.329 118.569 -0.240 1
1 841 . 10 1 1 A 76 76 GLU H H 76 7.769 7.745 0.024 1
1 842 . 10 1 1 A 76 76 GLU HA H 76 4.051 4.046 0.005 1
1 847 . 10 1 1 A 76 76 GLU C C 76 178.261 178.852 -0.591 1
1 848 . 10 1 1 A 76 76 GLU CA C 76 58.200 58.945 -0.745 1
1 849 . 10 1 1 A 76 76 GLU CB C 76 29.841 29.459 0.382 1
1 851 . 10 1 1 A 76 76 GLU N N 76 119.947 118.591 1.356 1
1 852 . 10 1 1 A 77 77 ILE H H 77 7.826 7.887 -0.061 1
1 853 . 10 1 1 A 77 77 ILE HA H 77 3.856 3.763 0.093 1
1 863 . 10 1 1 A 77 77 ILE C C 77 177.794 178.014 -0.220 1
1 864 . 10 1 1 A 77 77 ILE CA C 77 63.454 63.779 -0.325 1
1 865 . 10 1 1 A 77 77 ILE CB C 77 38.016 37.306 0.710 1
1 869 . 10 1 1 A 77 77 ILE N N 77 119.278 119.688 -0.410 1
1 870 . 10 1 1 A 78 78 LYS H H 78 7.802 7.959 -0.157 1
1 871 . 10 1 1 A 78 78 LYS HA H 78 4.196 3.907 0.289 1
1 878 . 10 1 1 A 78 78 LYS C C 78 177.591 178.357 -0.766 1
1 879 . 10 1 1 A 78 78 LYS CA C 78 57.728 59.311 -1.583 1
1 880 . 10 1 1 A 78 78 LYS CB C 78 32.601 32.161 0.440 1
1 884 . 10 1 1 A 78 78 LYS N N 78 122.041 121.360 0.681 1
1 885 . 10 1 1 A 79 79 ARG H H 79 8.053 8.387 -0.334 1
1 886 . 10 1 1 A 79 79 ARG HA H 79 4.196 4.019 0.177 1
1 891 . 10 1 1 A 79 79 ARG C C 79 177.448 178.447 -0.999 1
1 892 . 10 1 1 A 79 79 ARG CA C 79 57.639 59.206 -1.567 1
1 893 . 10 1 1 A 79 79 ARG CB C 79 30.531 29.832 0.699 1
1 896 . 10 1 1 A 79 79 ARG N N 79 120.496 118.892 1.604 1
1 897 . 10 1 1 A 80 80 ARG H H 80 8.083 7.895 0.188 1
1 898 . 10 1 1 A 80 80 ARG HA H 80 4.193 4.068 0.125 1
1 904 . 10 1 1 A 80 80 ARG C C 80 176.786 178.600 -1.814 1
1 905 . 10 1 1 A 80 80 ARG CA C 80 57.196 58.668 -1.472 1
1 906 . 10 1 1 A 80 80 ARG CB C 80 30.531 29.772 0.759 1
1 909 . 10 1 1 A 80 80 ARG N N 80 120.092 119.449 0.643 1
1 910 . 10 1 1 A 81 81 ALA H H 81 8.062 7.979 0.083 1
1 911 . 10 1 1 A 81 81 ALA HA H 81 4.256 4.047 0.209 1
1 915 . 10 1 1 A 81 81 ALA C C 81 178.013 180.216 -2.203 1
1 916 . 10 1 1 A 81 81 ALA CA C 81 53.141 54.307 -1.166 1
1 917 . 10 1 1 A 81 81 ALA CB C 81 19.003 18.476 0.527 1
1 918 . 10 1 1 A 81 81 ALA N N 81 123.434 121.544 1.890 1
1 919 . 10 1 1 A 82 82 ASN H H 82 8.219 7.720 0.499 1
1 920 . 10 1 1 A 82 82 ASN HA H 82 4.661 4.478 0.183 1
1 925 . 10 1 1 A 82 82 ASN C C 82 175.620 176.722 -1.102 1
1 926 . 10 1 1 A 82 82 ASN CA C 82 53.686 55.416 -1.730 1
1 927 . 10 1 1 A 82 82 ASN CB C 82 38.672 38.521 0.151 1
1 928 . 10 1 1 A 82 82 ASN N N 82 117.551 117.134 0.417 1
1 930 . 10 1 1 A 83 83 ILE H H 83 7.949 7.557 0.392 1
1 931 . 10 1 1 A 83 83 ILE HA H 83 4.077 4.407 -0.330 1
1 941 . 10 1 1 A 83 83 ILE C C 83 176.291 176.410 -0.119 1
1 942 . 10 1 1 A 83 83 ILE CA C 83 61.695 60.682 1.013 1
1 943 . 10 1 1 A 83 83 ILE CB C 83 38.672 36.441 2.231 1
1 947 . 10 1 1 A 83 83 ILE N N 83 120.666 117.078 3.588 1
1 948 . 10 1 1 A 84 84 ALA H H 84 8.184 8.138 0.046 1
1 949 . 10 1 1 A 84 84 ALA HA H 84 4.262 4.092 0.170 1
1 953 . 10 1 1 A 84 84 ALA C C 84 177.794 177.936 -0.142 1
1 954 . 10 1 1 A 84 84 ALA CA C 84 53.005 54.195 -1.190 1
1 955 . 10 1 1 A 84 84 ALA CB C 84 18.941 18.482 0.459 1
1 956 . 10 1 1 A 84 84 ALA N N 84 126.306 125.510 0.796 1
1 957 . 10 1 1 A 85 85 ALA H H 85 8.019 7.444 0.575 1
1 958 . 10 1 1 A 85 85 ALA HA H 85 4.263 4.131 0.132 1
1 962 . 10 1 1 A 85 85 ALA C C 85 178.143 177.950 0.193 1
1 963 . 10 1 1 A 85 85 ALA CA C 85 52.857 53.162 -0.305 1
1 964 . 10 1 1 A 85 85 ALA CB C 85 19.170 19.375 -0.205 1
1 965 . 10 1 1 A 85 85 ALA N N 85 122.320 121.618 0.702 1
1 966 . 10 1 1 A 86 86 ILE H H 86 7.959 8.854 -0.895 1
1 967 . 10 1 1 A 86 86 ILE HA H 86 4.077 4.456 -0.379 1
1 977 . 10 1 1 A 86 86 ILE C C 86 176.697 175.246 1.451 1
1 978 . 10 1 1 A 86 86 ILE CA C 86 61.654 60.384 1.270 1
1 979 . 10 1 1 A 86 86 ILE CB C 86 38.603 38.111 0.492 1
1 983 . 10 1 1 A 86 86 ILE N N 86 119.762 124.789 -5.027 1
1 984 . 10 1 1 A 87 87 LEU H H 87 8.219 7.534 0.685 1
1 985 . 10 1 1 A 87 87 LEU HA H 87 4.340 4.719 -0.379 1
1 995 . 10 1 1 A 87 87 LEU C C 87 177.616 175.166 2.450 1
1 996 . 10 1 1 A 87 87 LEU CA C 87 55.425 54.255 1.170 1
1 997 . 10 1 1 A 87 87 LEU CB C 87 42.328 41.368 0.960 1
1 1001 . 10 1 1 A 87 87 LEU N N 87 125.404 124.960 0.444 1
1 1002 . 10 1 1 A 88 88 GLU H H 88 8.321 8.157 0.164 1
1 1003 . 10 1 1 A 88 88 GLU HA H 88 4.287 4.650 -0.363 1
1 1008 . 10 1 1 A 88 88 GLU C C 88 176.636 174.356 2.280 1
1 1009 . 10 1 1 A 88 88 GLU CA C 88 56.872 56.157 0.715 1
1 1010 . 10 1 1 A 88 88 GLU CB C 88 30.186 34.084 -3.898 1
1 1012 . 10 1 1 A 88 88 GLU N N 88 121.673 124.047 -2.374 1
1 1013 . 10 1 1 A 89 89 SER H H 89 8.254 8.635 -0.381 1
1 1014 . 10 1 1 A 89 89 SER HA H 89 4.483 4.744 -0.261 1
1 1017 . 10 1 1 A 89 89 SER C C 89 174.693 173.429 1.264 1
1 1018 . 10 1 1 A 89 89 SER CA C 89 58.395 58.166 0.229 1
1 1019 . 10 1 1 A 89 89 SER CB C 89 64.017 61.745 2.272 1
1 1020 . 10 1 1 A 89 89 SER N N 89 116.276 123.101 -6.825 1
1 1021 . 10 1 1 A 90 90 SER H H 90 8.346 8.369 -0.023 1
1 1022 . 10 1 1 A 90 90 SER HA H 90 4.478 5.089 -0.611 1
1 1024 . 10 1 1 A 90 90 SER C C 90 174.564 172.894 1.670 1
1 1025 . 10 1 1 A 90 90 SER CA C 90 58.525 56.119 2.406 1
1 1026 . 10 1 1 A 90 90 SER CB C 90 64.129 66.826 -2.697 1
1 1027 . 10 1 1 A 90 90 SER N N 90 117.689 120.519 -2.830 1
1 1028 . 10 1 1 A 91 91 GLY H H 91 8.213 8.352 -0.139 1
1 1029 . 10 1 1 A 91 91 GLY HA2 H 91 4.112 4.189 -0.077 1
1 1030 . 10 1 1 A 91 91 GLY HA3 H 91 4.112 4.189 -0.077 1
1 1031 . 10 1 1 A 91 91 GLY C C 91 171.803 174.029 -2.226 1
1 1032 . 10 1 1 A 91 91 GLY CA C 91 44.743 45.704 -0.961 1
1 1033 . 10 1 1 A 91 91 GLY N N 91 110.570 109.963 0.607 1
1 1034 . 10 1 1 A 92 92 PRO HA H 92 4.530 4.425 0.105 1
1 1035 . 10 1 1 A 93 93 SER HA H 93 4.498 4.815 -0.317 1
1 1037 . 10 1 1 A 93 93 SER C C 93 173.981 172.730 1.251 1
1 1038 . 10 1 1 A 93 93 SER CA C 93 57.378 57.529 -0.151 1
1 1039 . 10 1 1 A 93 93 SER CB C 93 58.505 65.272 -6.767 1
1 1040 . 10 1 1 A 94 94 SER H H 94 8.032 8.604 -0.572 1
1 1041 . 10 1 1 A 94 94 SER HA H 94 4.498 4.707 -0.209 1
1 1043 . 10 1 1 A 94 94 SER C C 94 173.955 173.541 0.414 1
1 1044 . 10 1 1 A 94 94 SER CA C 94 58.436 56.025 2.411 1
1 1045 . 10 1 1 A 94 94 SER CB C 94 64.017 66.172 -2.155 1
1 1046 . 10 1 1 A 94 94 SER N N 94 116.327 116.120 0.207 1
1 1 . 11 1 1 A 11 11 ARG HA H 11 4.442 4.173 0.269 1
1 6 . 11 1 1 A 11 11 ARG C C 11 175.365 175.610 -0.245 1
1 7 . 11 1 1 A 11 11 ARG CA C 11 55.738 59.015 -3.277 1
1 8 . 11 1 1 A 11 11 ARG CB C 11 31.419 30.670 0.749 1
1 11 . 11 1 1 A 12 12 PHE H H 12 8.430 7.785 0.645 1
1 12 . 11 1 1 A 12 12 PHE HA H 12 4.481 4.774 -0.293 1
1 20 . 11 1 1 A 12 12 PHE C C 12 174.869 173.152 1.717 1
1 21 . 11 1 1 A 12 12 PHE CA C 12 58.525 57.028 1.497 1
1 22 . 11 1 1 A 12 12 PHE CB C 12 39.955 42.532 -2.577 1
1 28 . 11 1 1 A 12 12 PHE N N 12 123.637 117.876 5.761 1
1 29 . 11 1 1 A 13 13 THR H H 13 7.543 7.928 -0.385 1
1 30 . 11 1 1 A 13 13 THR HA H 13 4.216 5.010 -0.794 1
1 35 . 11 1 1 A 13 13 THR C C 13 172.757 172.869 -0.112 1
1 36 . 11 1 1 A 13 13 THR CA C 13 60.703 60.399 0.304 1
1 37 . 11 1 1 A 13 13 THR CB C 13 70.578 71.602 -1.024 1
1 39 . 11 1 1 A 13 13 THR N N 13 122.237 120.050 2.187 1
1 40 . 11 1 1 A 14 14 TRP H H 14 8.427 8.912 -0.485 1
1 41 . 11 1 1 A 14 14 TRP HA H 14 4.195 5.266 -1.071 1
1 50 . 11 1 1 A 14 14 TRP C C 14 177.225 175.892 1.333 1
1 51 . 11 1 1 A 14 14 TRP CA C 14 57.137 55.655 1.482 1
1 52 . 11 1 1 A 14 14 TRP CB C 14 29.919 31.362 -1.443 1
1 58 . 11 1 1 A 14 14 TRP N N 14 125.363 125.821 -0.458 1
1 60 . 11 1 1 A 15 15 ARG H H 15 8.790 9.210 -0.420 1
1 61 . 11 1 1 A 15 15 ARG HA H 15 4.436 4.397 0.039 1
1 67 . 11 1 1 A 15 15 ARG C C 15 176.254 178.147 -1.893 1
1 68 . 11 1 1 A 15 15 ARG CA C 15 54.848 56.192 -1.344 1
1 69 . 11 1 1 A 15 15 ARG CB C 15 30.217 30.971 -0.754 1
1 72 . 11 1 1 A 15 15 ARG N N 15 124.453 124.322 0.131 1
1 73 . 11 1 1 A 16 16 LYS H H 16 7.990 8.826 -0.836 1
1 74 . 11 1 1 A 16 16 LYS HA H 16 3.949 4.015 -0.066 1
1 81 . 11 1 1 A 16 16 LYS C C 16 179.133 178.562 0.571 1
1 82 . 11 1 1 A 16 16 LYS CA C 16 60.206 59.556 0.650 1
1 83 . 11 1 1 A 16 16 LYS CB C 16 32.102 32.089 0.013 1
1 87 . 11 1 1 A 16 16 LYS N N 16 120.654 123.009 -2.355 1
1 88 . 11 1 1 A 17 17 GLU H H 17 10.775 8.268 2.507 1
1 89 . 11 1 1 A 17 17 GLU HA H 17 4.126 4.032 0.094 1
1 94 . 11 1 1 A 17 17 GLU C C 17 179.581 179.121 0.460 1
1 95 . 11 1 1 A 17 17 GLU CA C 17 60.262 59.239 1.023 1
1 96 . 11 1 1 A 17 17 GLU CB C 17 28.944 29.817 -0.873 1
1 98 . 11 1 1 A 17 17 GLU N N 17 119.914 119.964 -0.050 1
1 99 . 11 1 1 A 18 18 CYS H H 18 7.314 8.325 -1.011 1
1 100 . 11 1 1 A 18 18 CYS HA H 18 4.166 4.273 -0.107 1
1 103 . 11 1 1 A 18 18 CYS C C 18 176.250 177.444 -1.194 1
1 104 . 11 1 1 A 18 18 CYS CA C 18 61.093 63.024 -1.931 1
1 105 . 11 1 1 A 18 18 CYS CB C 18 27.636 27.040 0.596 1
1 106 . 11 1 1 A 18 18 CYS N N 18 115.339 118.972 -3.633 1
1 107 . 11 1 1 A 19 19 LEU H H 19 7.975 8.208 -0.233 1
1 108 . 11 1 1 A 19 19 LEU HA H 19 3.365 3.602 -0.237 1
1 118 . 11 1 1 A 19 19 LEU C C 19 178.119 179.000 -0.881 1
1 119 . 11 1 1 A 19 19 LEU CA C 19 58.084 57.661 0.423 1
1 120 . 11 1 1 A 19 19 LEU CB C 19 40.713 40.904 -0.191 1
1 124 . 11 1 1 A 19 19 LEU N N 19 120.346 122.912 -2.566 1
1 125 . 11 1 1 A 20 20 ALA H H 20 7.481 8.025 -0.544 1
1 126 . 11 1 1 A 20 20 ALA HA H 20 4.079 3.997 0.082 1
1 130 . 11 1 1 A 20 20 ALA C C 20 180.800 180.543 0.257 1
1 131 . 11 1 1 A 20 20 ALA CA C 20 55.172 55.183 -0.011 1
1 132 . 11 1 1 A 20 20 ALA CB C 20 17.975 18.197 -0.222 1
1 133 . 11 1 1 A 20 20 ALA N N 20 119.101 121.987 -2.886 1
1 134 . 11 1 1 A 21 21 VAL H H 21 6.932 7.337 -0.405 1
1 135 . 11 1 1 A 21 21 VAL HA H 21 3.752 3.513 0.239 1
1 143 . 11 1 1 A 21 21 VAL C C 21 178.850 178.278 0.572 1
1 144 . 11 1 1 A 21 21 VAL CA C 21 66.018 67.028 -1.010 1
1 145 . 11 1 1 A 21 21 VAL CB C 21 32.168 31.463 0.705 1
1 148 . 11 1 1 A 21 21 VAL N N 21 118.965 117.904 1.061 1
1 149 . 11 1 1 A 22 22 MET H H 22 7.925 7.591 0.334 1
1 150 . 11 1 1 A 22 22 MET HA H 22 3.894 4.140 -0.246 1
1 158 . 11 1 1 A 22 22 MET C C 22 177.997 178.566 -0.569 1
1 159 . 11 1 1 A 22 22 MET CA C 22 60.060 58.833 1.227 1
1 160 . 11 1 1 A 22 22 MET CB C 22 30.494 32.336 -1.842 1
1 163 . 11 1 1 A 22 22 MET N N 22 118.668 117.378 1.290 1
1 164 . 11 1 1 A 23 23 GLU H H 23 8.452 7.754 0.698 1
1 165 . 11 1 1 A 23 23 GLU HA H 23 4.048 4.115 -0.067 1
1 170 . 11 1 1 A 23 23 GLU C C 23 178.809 179.332 -0.523 1
1 171 . 11 1 1 A 23 23 GLU CA C 23 59.676 59.133 0.543 1
1 172 . 11 1 1 A 23 23 GLU CB C 23 29.289 29.185 0.104 1
1 174 . 11 1 1 A 23 23 GLU N N 23 118.239 119.155 -0.916 1
1 175 . 11 1 1 A 24 24 SER H H 24 7.431 7.447 -0.016 1
1 176 . 11 1 1 A 24 24 SER HA H 24 4.279 4.256 0.023 1
1 179 . 11 1 1 A 24 24 SER C C 24 177.916 177.170 0.746 1
1 180 . 11 1 1 A 24 24 SER CA C 24 61.785 61.450 0.335 1
1 181 . 11 1 1 A 24 24 SER CB C 24 62.616 62.820 -0.204 1
1 182 . 11 1 1 A 24 24 SER N N 24 113.792 116.022 -2.230 1
1 183 . 11 1 1 A 25 25 TYR H H 25 7.845 8.141 -0.296 1
1 184 . 11 1 1 A 25 25 TYR HA H 25 4.354 4.313 0.041 1
1 191 . 11 1 1 A 25 25 TYR C C 25 178.789 178.935 -0.146 1
1 192 . 11 1 1 A 25 25 TYR CA C 25 63.193 60.910 2.283 1
1 193 . 11 1 1 A 25 25 TYR CB C 25 38.706 38.064 0.642 1
1 198 . 11 1 1 A 25 25 TYR N N 25 120.184 119.200 0.984 1
1 199 . 11 1 1 A 26 26 PHE H H 26 9.279 8.339 0.940 1
1 200 . 11 1 1 A 26 26 PHE HA H 26 4.237 4.790 -0.553 1
1 208 . 11 1 1 A 26 26 PHE C C 26 175.885 178.039 -2.154 1
1 209 . 11 1 1 A 26 26 PHE CA C 26 62.008 61.372 0.636 1
1 210 . 11 1 1 A 26 26 PHE CB C 26 39.072 39.061 0.011 1
1 216 . 11 1 1 A 26 26 PHE N N 26 123.634 120.614 3.020 1
1 217 . 11 1 1 A 27 27 ASN H H 27 7.807 8.049 -0.242 1
1 218 . 11 1 1 A 27 27 ASN HA H 27 4.409 4.517 -0.108 1
1 223 . 11 1 1 A 27 27 ASN C C 27 176.108 177.564 -1.456 1
1 224 . 11 1 1 A 27 27 ASN CA C 27 55.307 56.459 -1.152 1
1 225 . 11 1 1 A 27 27 ASN CB C 27 38.810 37.930 0.880 1
1 226 . 11 1 1 A 27 27 ASN N N 27 112.896 117.689 -4.793 1
1 228 . 11 1 1 A 28 28 GLU H H 28 7.431 8.037 -0.606 1
1 229 . 11 1 1 A 28 28 GLU HA H 28 4.274 4.262 0.012 1
1 234 . 11 1 1 A 28 28 GLU C C 28 176.880 176.430 0.450 1
1 235 . 11 1 1 A 28 28 GLU CA C 28 57.875 58.064 -0.189 1
1 236 . 11 1 1 A 28 28 GLU CB C 28 30.965 29.574 1.391 1
1 238 . 11 1 1 A 28 28 GLU N N 28 117.899 114.752 3.147 1
1 239 . 11 1 1 A 29 29 ASN H H 29 7.950 7.957 -0.007 1
1 240 . 11 1 1 A 29 29 ASN HA H 29 4.562 5.021 -0.459 1
1 245 . 11 1 1 A 29 29 ASN C C 29 174.036 174.751 -0.715 1
1 246 . 11 1 1 A 29 29 ASN CA C 29 53.654 52.962 0.692 1
1 247 . 11 1 1 A 29 29 ASN CB C 29 39.361 40.900 -1.539 1
1 248 . 11 1 1 A 29 29 ASN N N 29 116.656 117.191 -0.535 1
1 250 . 11 1 1 A 30 30 GLN H H 30 8.658 8.396 0.262 1
1 251 . 11 1 1 A 30 30 GLN HA H 30 3.848 3.321 0.527 1
1 258 . 11 1 1 A 30 30 GLN C C 30 174.503 175.402 -0.899 1
1 259 . 11 1 1 A 30 30 GLN CA C 30 57.336 57.757 -0.421 1
1 260 . 11 1 1 A 30 30 GLN CB C 30 27.978 29.313 -1.335 1
1 262 . 11 1 1 A 30 30 GLN N N 30 122.486 123.033 -0.547 1
1 264 . 11 1 1 A 31 31 TYR H H 31 8.181 8.029 0.152 1
1 265 . 11 1 1 A 31 31 TYR HA H 31 4.769 5.078 -0.309 1
1 272 . 11 1 1 A 31 31 TYR C C 31 172.816 173.093 -0.277 1
1 273 . 11 1 1 A 31 31 TYR CA C 31 55.409 54.030 1.379 1
1 274 . 11 1 1 A 31 31 TYR CB C 31 38.938 38.783 0.155 1
1 279 . 11 1 1 A 31 31 TYR N N 31 116.012 117.432 -1.420 1
1 280 . 11 1 1 A 32 32 PRO HA H 32 4.320 4.573 -0.253 1
1 287 . 11 1 1 A 32 32 PRO C C 32 177.530 176.474 1.056 1
1 288 . 11 1 1 A 32 32 PRO CA C 32 63.041 62.753 0.288 1
1 289 . 11 1 1 A 32 32 PRO CB C 32 31.052 31.793 -0.741 1
1 292 . 11 1 1 A 33 33 ASP H H 33 8.439 8.635 -0.196 1
1 293 . 11 1 1 A 33 33 ASP HA H 33 4.475 4.606 -0.131 1
1 296 . 11 1 1 A 33 33 ASP C C 33 175.397 177.135 -1.738 1
1 297 . 11 1 1 A 33 33 ASP CA C 33 52.562 53.605 -1.043 1
1 298 . 11 1 1 A 33 33 ASP CB C 33 40.363 42.010 -1.647 1
1 299 . 11 1 1 A 33 33 ASP N N 33 125.278 123.004 2.274 1
1 300 . 11 1 1 A 34 34 GLU H H 34 8.644 8.972 -0.328 1
1 301 . 11 1 1 A 34 34 GLU HA H 34 3.613 3.930 -0.317 1
1 306 . 11 1 1 A 34 34 GLU C C 34 178.261 178.104 0.157 1
1 307 . 11 1 1 A 34 34 GLU CA C 34 61.565 59.392 2.173 1
1 308 . 11 1 1 A 34 34 GLU CB C 34 29.289 29.287 0.002 1
1 310 . 11 1 1 A 34 34 GLU N N 34 118.756 124.730 -5.974 1
1 311 . 11 1 1 A 35 35 ALA H H 35 8.121 8.046 0.075 1
1 312 . 11 1 1 A 35 35 ALA HA H 35 4.155 4.077 0.078 1
1 316 . 11 1 1 A 35 35 ALA C C 35 181.307 179.711 1.596 1
1 317 . 11 1 1 A 35 35 ALA CA C 35 54.953 55.140 -0.187 1
1 318 . 11 1 1 A 35 35 ALA CB C 35 17.975 18.256 -0.281 1
1 319 . 11 1 1 A 35 35 ALA N N 35 121.196 121.587 -0.391 1
1 320 . 11 1 1 A 36 36 LYS H H 36 8.448 7.913 0.535 1
1 321 . 11 1 1 A 36 36 LYS HA H 36 4.157 4.031 0.126 1
1 330 . 11 1 1 A 36 36 LYS C C 36 178.769 178.458 0.311 1
1 331 . 11 1 1 A 36 36 LYS CA C 36 56.576 59.628 -3.052 1
1 332 . 11 1 1 A 36 36 LYS CB C 36 29.689 32.306 -2.617 1
1 336 . 11 1 1 A 36 36 LYS N N 36 121.690 118.483 3.207 1
1 337 . 11 1 1 A 37 37 ARG H H 37 8.977 7.816 1.161 1
1 338 . 11 1 1 A 37 37 ARG HA H 37 3.711 3.886 -0.175 1
1 345 . 11 1 1 A 37 37 ARG C C 37 178.444 179.300 -0.856 1
1 346 . 11 1 1 A 37 37 ARG CA C 37 61.131 59.634 1.497 1
1 347 . 11 1 1 A 37 37 ARG CB C 37 30.941 30.107 0.834 1
1 350 . 11 1 1 A 37 37 ARG N N 37 117.588 118.512 -0.924 1
1 351 . 11 1 1 A 38 38 GLU H H 38 7.750 7.878 -0.128 1
1 352 . 11 1 1 A 38 38 GLU HA H 38 4.083 4.052 0.031 1
1 357 . 11 1 1 A 38 38 GLU C C 38 178.301 179.313 -1.012 1
1 358 . 11 1 1 A 38 38 GLU CA C 38 59.321 59.290 0.031 1
1 359 . 11 1 1 A 38 38 GLU CB C 38 29.013 29.182 -0.169 1
1 361 . 11 1 1 A 38 38 GLU N N 38 119.080 119.197 -0.117 1
1 362 . 11 1 1 A 39 39 GLU H H 39 7.540 8.068 -0.528 1
1 363 . 11 1 1 A 39 39 GLU HA H 39 4.048 4.047 0.001 1
1 368 . 11 1 1 A 39 39 GLU C C 39 179.784 178.773 1.011 1
1 369 . 11 1 1 A 39 39 GLU CA C 39 59.646 59.166 0.480 1
1 370 . 11 1 1 A 39 39 GLU CB C 39 29.409 29.703 -0.294 1
1 372 . 11 1 1 A 39 39 GLU N N 39 121.188 119.500 1.688 1
1 373 . 11 1 1 A 40 40 ILE H H 40 8.634 7.749 0.885 1
1 374 . 11 1 1 A 40 40 ILE HA H 40 3.133 3.350 -0.217 1
1 384 . 11 1 1 A 40 40 ILE C C 40 178.119 177.650 0.469 1
1 385 . 11 1 1 A 40 40 ILE CA C 40 65.462 62.834 2.628 1
1 386 . 11 1 1 A 40 40 ILE CB C 40 37.951 36.680 1.271 1
1 390 . 11 1 1 A 40 40 ILE N N 40 121.126 119.996 1.130 1
1 391 . 11 1 1 A 41 41 ALA H H 41 8.462 8.073 0.389 1
1 392 . 11 1 1 A 41 41 ALA HA H 41 3.713 3.977 -0.264 1
1 396 . 11 1 1 A 41 41 ALA C C 41 178.850 179.764 -0.914 1
1 397 . 11 1 1 A 41 41 ALA CA C 41 56.014 55.339 0.675 1
1 398 . 11 1 1 A 41 41 ALA CB C 41 16.779 18.135 -1.356 1
1 399 . 11 1 1 A 41 41 ALA N N 41 123.029 123.712 -0.683 1
1 400 . 11 1 1 A 42 42 ASN H H 42 8.264 8.815 -0.551 1
1 401 . 11 1 1 A 42 42 ASN HA H 42 4.521 4.454 0.067 1
1 406 . 11 1 1 A 42 42 ASN C C 42 178.220 177.660 0.560 1
1 407 . 11 1 1 A 42 42 ASN CA C 42 56.193 55.864 0.329 1
1 408 . 11 1 1 A 42 42 ASN CB C 42 37.775 37.773 0.002 1
1 409 . 11 1 1 A 42 42 ASN N N 42 115.462 117.697 -2.235 1
1 411 . 11 1 1 A 43 43 ALA H H 43 8.403 7.610 0.793 1
1 412 . 11 1 1 A 43 43 ALA HA H 43 4.273 4.100 0.173 1
1 416 . 11 1 1 A 43 43 ALA C C 43 180.962 180.278 0.684 1
1 417 . 11 1 1 A 43 43 ALA CA C 43 55.200 54.965 0.235 1
1 418 . 11 1 1 A 43 43 ALA CB C 43 18.478 18.108 0.370 1
1 419 . 11 1 1 A 43 43 ALA N N 43 125.139 122.243 2.896 1
1 420 . 11 1 1 A 44 44 CYS H H 44 8.457 7.658 0.799 1
1 421 . 11 1 1 A 44 44 CYS HA H 44 4.156 4.129 0.027 1
1 424 . 11 1 1 A 44 44 CYS C C 44 176.534 177.067 -0.533 1
1 425 . 11 1 1 A 44 44 CYS CA C 44 64.768 63.588 1.180 1
1 426 . 11 1 1 A 44 44 CYS CB C 44 27.644 27.058 0.586 1
1 427 . 11 1 1 A 44 44 CYS N N 44 116.609 115.897 0.712 1
1 428 . 11 1 1 A 45 45 ASN H H 45 8.346 7.817 0.529 1
1 429 . 11 1 1 A 45 45 ASN HA H 45 4.613 4.511 0.102 1
1 434 . 11 1 1 A 45 45 ASN C C 45 177.631 177.693 -0.062 1
1 435 . 11 1 1 A 45 45 ASN CA C 45 55.723 56.111 -0.388 1
1 436 . 11 1 1 A 45 45 ASN CB C 45 37.526 37.965 -0.439 1
1 437 . 11 1 1 A 45 45 ASN N N 45 117.491 118.782 -1.291 1
1 439 . 11 1 1 A 46 46 ALA H H 46 8.014 7.571 0.443 1
1 440 . 11 1 1 A 46 46 ALA HA H 46 4.200 4.092 0.108 1
1 444 . 11 1 1 A 46 46 ALA C C 46 180.292 179.707 0.585 1
1 445 . 11 1 1 A 46 46 ALA CA C 46 54.805 55.104 -0.299 1
1 446 . 11 1 1 A 46 46 ALA CB C 46 18.283 18.376 -0.093 1
1 447 . 11 1 1 A 46 46 ALA N N 46 120.198 123.455 -3.257 1
1 448 . 11 1 1 A 47 47 VAL H H 47 7.240 7.921 -0.681 1
1 449 . 11 1 1 A 47 47 VAL HA H 47 4.306 3.808 0.498 1
1 457 . 11 1 1 A 47 47 VAL C C 47 177.083 177.189 -0.106 1
1 458 . 11 1 1 A 47 47 VAL CA C 47 63.484 65.241 -1.757 1
1 459 . 11 1 1 A 47 47 VAL CB C 47 31.935 31.553 0.382 1
1 462 . 11 1 1 A 47 47 VAL N N 47 110.165 116.389 -6.224 1
1 463 . 11 1 1 A 48 48 ILE H H 48 7.146 7.146 0.000 1
1 464 . 11 1 1 A 48 48 ILE HA H 48 4.473 4.424 0.049 1
1 474 . 11 1 1 A 48 48 ILE C C 48 175.966 176.069 -0.103 1
1 475 . 11 1 1 A 48 48 ILE CA C 48 62.055 62.177 -0.122 1
1 476 . 11 1 1 A 48 48 ILE CB C 48 39.444 38.642 0.802 1
1 480 . 11 1 1 A 48 48 ILE N N 48 112.085 116.434 -4.349 1
1 481 . 11 1 1 A 49 49 GLN H H 49 7.671 7.964 -0.293 1
1 482 . 11 1 1 A 49 49 GLN HA H 49 4.254 4.172 0.082 1
1 489 . 11 1 1 A 49 49 GLN C C 49 175.417 175.432 -0.015 1
1 490 . 11 1 1 A 49 49 GLN CA C 49 56.370 56.270 0.100 1
1 491 . 11 1 1 A 49 49 GLN CB C 49 29.289 29.486 -0.197 1
1 493 . 11 1 1 A 49 49 GLN N N 49 123.076 123.480 -0.404 1
1 495 . 11 1 1 A 50 50 LYS H H 50 8.932 8.534 0.398 1
1 496 . 11 1 1 A 50 50 LYS HA H 50 4.760 4.792 -0.032 1
1 502 . 11 1 1 A 50 50 LYS C C 50 174.497 173.813 0.684 1
1 503 . 11 1 1 A 50 50 LYS CA C 50 53.341 52.983 0.358 1
1 504 . 11 1 1 A 50 50 LYS CB C 50 32.860 34.338 -1.478 1
1 506 . 11 1 1 A 50 50 LYS N N 50 127.505 125.936 1.569 1
1 507 . 11 1 1 A 51 51 PRO HA H 51 4.328 4.302 0.026 1
1 514 . 11 1 1 A 51 51 PRO CA C 51 64.015 63.755 0.260 1
1 515 . 11 1 1 A 51 51 PRO CB C 51 31.590 31.262 0.328 1
1 518 . 11 1 1 A 52 52 GLY H H 52 8.752 8.784 -0.032 1
1 519 . 11 1 1 A 52 52 GLY HA2 H 52 4.113 3.990 0.123 1
1 520 . 11 1 1 A 52 52 GLY HA3 H 52 3.728 3.990 -0.262 1
1 521 . 11 1 1 A 52 52 GLY C C 52 173.732 173.623 0.109 1
1 522 . 11 1 1 A 52 52 GLY CA C 52 45.646 45.741 -0.095 1
1 523 . 11 1 1 A 53 53 LYS H H 53 7.734 7.472 0.262 1
1 524 . 11 1 1 A 53 53 LYS HA H 53 4.621 4.893 -0.272 1
1 531 . 11 1 1 A 53 53 LYS C C 53 175.681 174.484 1.197 1
1 532 . 11 1 1 A 53 53 LYS CA C 53 54.451 54.145 0.306 1
1 533 . 11 1 1 A 53 53 LYS CB C 53 34.466 35.882 -1.416 1
1 537 . 11 1 1 A 53 53 LYS N N 53 120.205 119.967 0.238 1
1 538 . 11 1 1 A 54 54 LYS H H 54 8.536 8.773 -0.237 1
1 539 . 11 1 1 A 54 54 LYS HA H 54 4.412 5.041 -0.629 1
1 546 . 11 1 1 A 54 54 LYS C C 54 177.022 175.705 1.317 1
1 547 . 11 1 1 A 54 54 LYS CA C 54 55.691 54.443 1.248 1
1 548 . 11 1 1 A 54 54 LYS CB C 54 33.453 35.554 -2.101 1
1 552 . 11 1 1 A 54 54 LYS N N 54 124.424 123.958 0.466 1
1 553 . 11 1 1 A 55 55 LEU H H 55 8.656 8.736 -0.080 1
1 554 . 11 1 1 A 55 55 LEU HA H 55 4.407 4.386 0.021 1
1 564 . 11 1 1 A 55 55 LEU C C 55 177.448 176.549 0.899 1
1 565 . 11 1 1 A 55 55 LEU CA C 55 54.670 54.777 -0.107 1
1 566 . 11 1 1 A 55 55 LEU CB C 55 43.243 42.263 0.980 1
1 570 . 11 1 1 A 55 55 LEU N N 55 126.145 128.013 -1.868 1
1 571 . 11 1 1 A 56 56 SER H H 56 9.313 8.372 0.941 1
1 572 . 11 1 1 A 56 56 SER HA H 56 4.496 4.844 -0.348 1
1 575 . 11 1 1 A 56 56 SER C C 56 175.226 174.695 0.531 1
1 576 . 11 1 1 A 56 56 SER CA C 56 57.507 56.183 1.324 1
1 577 . 11 1 1 A 56 56 SER CB C 56 64.802 64.977 -0.175 1
1 578 . 11 1 1 A 56 56 SER N N 56 121.790 118.137 3.653 1
1 579 . 11 1 1 A 57 57 ASP H H 57 8.929 9.072 -0.143 1
1 580 . 11 1 1 A 57 57 ASP HA H 57 4.314 4.320 -0.006 1
1 583 . 11 1 1 A 57 57 ASP C C 57 177.855 178.196 -0.341 1
1 584 . 11 1 1 A 57 57 ASP CA C 57 57.403 57.531 -0.128 1
1 585 . 11 1 1 A 57 57 ASP CB C 57 40.353 40.385 -0.032 1
1 586 . 11 1 1 A 58 58 LEU H H 58 7.824 8.303 -0.479 1
1 587 . 11 1 1 A 58 58 LEU HA H 58 4.194 4.025 0.169 1
1 597 . 11 1 1 A 58 58 LEU C C 58 177.509 178.023 -0.514 1
1 598 . 11 1 1 A 58 58 LEU CA C 58 56.754 58.107 -1.353 1
1 599 . 11 1 1 A 58 58 LEU CB C 58 42.259 41.001 1.258 1
1 603 . 11 1 1 A 58 58 LEU N N 58 117.552 119.344 -1.792 1
1 604 . 11 1 1 A 59 59 GLU H H 59 7.325 7.269 0.056 1
1 605 . 11 1 1 A 59 59 GLU HA H 59 4.286 4.263 0.023 1
1 610 . 11 1 1 A 59 59 GLU C C 59 175.661 176.479 -0.818 1
1 611 . 11 1 1 A 59 59 GLU CA C 59 56.370 56.205 0.165 1
1 612 . 11 1 1 A 59 59 GLU CB C 59 32.314 29.988 2.326 1
1 614 . 11 1 1 A 59 59 GLU N N 59 115.631 116.153 -0.522 1
1 615 . 11 1 1 A 60 60 ARG H H 60 7.408 7.762 -0.354 1
1 616 . 11 1 1 A 60 60 ARG HA H 60 3.948 4.616 -0.668 1
1 623 . 11 1 1 A 60 60 ARG C C 60 175.194 175.310 -0.116 1
1 624 . 11 1 1 A 60 60 ARG CA C 60 57.167 56.561 0.606 1
1 625 . 11 1 1 A 60 60 ARG CB C 60 31.083 30.478 0.605 1
1 628 . 11 1 1 A 60 60 ARG N N 60 118.018 123.004 -4.986 1
1 629 . 11 1 1 A 61 61 VAL H H 61 10.175 9.096 1.079 1
1 630 . 11 1 1 A 61 61 VAL HA H 61 3.462 4.375 -0.913 1
1 638 . 11 1 1 A 61 61 VAL C C 61 175.681 176.229 -0.548 1
1 639 . 11 1 1 A 61 61 VAL CA C 61 65.077 62.834 2.243 1
1 640 . 11 1 1 A 61 61 VAL CB C 61 31.702 31.311 0.391 1
1 643 . 11 1 1 A 61 61 VAL N N 61 128.658 128.220 0.438 1
1 644 . 11 1 1 A 62 62 THR H H 62 6.270 8.582 -2.312 1
1 645 . 11 1 1 A 62 62 THR HA H 62 4.780 4.787 -0.007 1
1 650 . 11 1 1 A 62 62 THR C C 62 175.064 176.231 -1.167 1
1 651 . 11 1 1 A 62 62 THR CA C 62 58.600 60.239 -1.639 1
1 652 . 11 1 1 A 62 62 THR CB C 62 72.355 71.605 0.750 1
1 654 . 11 1 1 A 62 62 THR N N 62 114.178 120.320 -6.142 1
1 655 . 11 1 1 A 63 63 SER HA H 63 3.869 4.144 -0.275 1
1 658 . 11 1 1 A 63 63 SER C C 63 176.656 176.723 -0.067 1
1 659 . 11 1 1 A 63 63 SER CA C 63 61.433 62.012 -0.579 1
1 660 . 11 1 1 A 63 63 SER CB C 63 62.197 62.387 -0.190 1
1 661 . 11 1 1 A 64 64 LEU H H 64 8.062 8.131 -0.069 1
1 662 . 11 1 1 A 64 64 LEU HA H 64 4.367 4.157 0.210 1
1 672 . 11 1 1 A 64 64 LEU C C 64 178.789 179.157 -0.368 1
1 673 . 11 1 1 A 64 64 LEU CA C 64 57.964 57.750 0.214 1
1 674 . 11 1 1 A 64 64 LEU CB C 64 42.052 41.870 0.182 1
1 678 . 11 1 1 A 64 64 LEU N N 64 123.294 125.248 -1.954 1
1 679 . 11 1 1 A 65 65 LYS H H 65 7.524 7.714 -0.190 1
1 680 . 11 1 1 A 65 65 LYS HA H 65 4.292 4.016 0.276 1
1 689 . 11 1 1 A 65 65 LYS C C 65 180.779 179.439 1.340 1
1 690 . 11 1 1 A 65 65 LYS CA C 65 60.266 59.540 0.726 1
1 691 . 11 1 1 A 65 65 LYS CB C 65 32.808 32.478 0.330 1
1 695 . 11 1 1 A 65 65 LYS N N 65 119.262 119.056 0.206 1
1 696 . 11 1 1 A 66 66 VAL H H 66 8.290 7.614 0.676 1
1 697 . 11 1 1 A 66 66 VAL HA H 66 4.075 3.798 0.277 1
1 705 . 11 1 1 A 66 66 VAL C C 66 177.509 177.858 -0.349 1
1 706 . 11 1 1 A 66 66 VAL CA C 66 66.963 66.576 0.387 1
1 707 . 11 1 1 A 66 66 VAL CB C 66 32.419 31.689 0.730 1
1 710 . 11 1 1 A 66 66 VAL N N 66 119.900 120.174 -0.274 1
1 711 . 11 1 1 A 67 67 TYR H H 67 8.893 8.221 0.672 1
1 712 . 11 1 1 A 67 67 TYR HA H 67 3.857 4.176 -0.319 1
1 719 . 11 1 1 A 67 67 TYR C C 67 177.956 178.084 -0.128 1
1 720 . 11 1 1 A 67 67 TYR CA C 67 62.897 61.671 1.226 1
1 721 . 11 1 1 A 67 67 TYR CB C 67 38.326 38.552 -0.226 1
1 726 . 11 1 1 A 67 67 TYR N N 67 120.861 120.911 -0.050 1
1 727 . 11 1 1 A 68 68 ASN H H 68 8.561 8.112 0.449 1
1 728 . 11 1 1 A 68 68 ASN HA H 68 4.545 4.451 0.094 1
1 733 . 11 1 1 A 68 68 ASN C C 68 177.570 178.313 -0.743 1
1 734 . 11 1 1 A 68 68 ASN CA C 68 56.222 56.596 -0.374 1
1 735 . 11 1 1 A 68 68 ASN CB C 68 38.465 38.428 0.037 1
1 736 . 11 1 1 A 68 68 ASN N N 68 117.386 117.294 0.092 1
1 738 . 11 1 1 A 69 69 TRP H H 69 8.655 8.139 0.516 1
1 739 . 11 1 1 A 69 69 TRP HA H 69 4.151 4.317 -0.166 1
1 748 . 11 1 1 A 69 69 TRP C C 69 179.764 178.378 1.386 1
1 749 . 11 1 1 A 69 69 TRP CA C 69 63.194 61.447 1.747 1
1 750 . 11 1 1 A 69 69 TRP CB C 69 29.720 29.255 0.465 1
1 756 . 11 1 1 A 69 69 TRP N N 69 123.454 122.767 0.687 1
1 758 . 11 1 1 A 70 70 PHE H H 70 9.166 8.467 0.699 1
1 759 . 11 1 1 A 70 70 PHE HA H 70 3.745 4.440 -0.695 1
1 767 . 11 1 1 A 70 70 PHE C C 70 177.469 178.456 -0.987 1
1 768 . 11 1 1 A 70 70 PHE CA C 70 62.862 61.738 1.124 1
1 769 . 11 1 1 A 70 70 PHE CB C 70 39.115 37.936 1.179 1
1 775 . 11 1 1 A 70 70 PHE N N 70 120.259 118.060 2.199 1
1 776 . 11 1 1 A 71 71 ALA H H 71 8.169 8.468 -0.299 1
1 777 . 11 1 1 A 71 71 ALA HA H 71 3.868 3.956 -0.088 1
1 781 . 11 1 1 A 71 71 ALA C C 71 180.698 180.256 0.442 1
1 782 . 11 1 1 A 71 71 ALA CA C 71 55.307 55.016 0.291 1
1 783 . 11 1 1 A 71 71 ALA CB C 71 17.697 18.088 -0.391 1
1 784 . 11 1 1 A 71 71 ALA N N 71 120.051 122.563 -2.512 1
1 785 . 11 1 1 A 72 72 ASN H H 72 7.789 7.638 0.151 1
1 786 . 11 1 1 A 72 72 ASN HA H 72 4.280 4.284 -0.004 1
1 791 . 11 1 1 A 72 72 ASN C C 72 177.022 177.626 -0.604 1
1 792 . 11 1 1 A 72 72 ASN CA C 72 56.222 56.110 0.112 1
1 793 . 11 1 1 A 72 72 ASN CB C 72 38.363 38.487 -0.124 1
1 794 . 11 1 1 A 72 72 ASN N N 72 116.515 116.335 0.180 1
1 796 . 11 1 1 A 73 73 ARG H H 73 7.999 7.491 0.508 1
1 797 . 11 1 1 A 73 73 ARG HA H 73 3.416 3.684 -0.268 1
1 805 . 11 1 1 A 73 73 ARG C C 73 178.708 178.608 0.100 1
1 806 . 11 1 1 A 73 73 ARG CA C 73 57.403 58.922 -1.519 1
1 807 . 11 1 1 A 73 73 ARG CB C 73 28.264 29.317 -1.053 1
1 810 . 11 1 1 A 73 73 ARG N N 73 123.203 119.586 3.617 1
1 812 . 11 1 1 A 74 74 ARG H H 74 8.033 8.026 0.007 1
1 813 . 11 1 1 A 74 74 ARG HA H 74 4.017 4.181 -0.164 1
1 820 . 11 1 1 A 74 74 ARG C C 74 178.850 179.201 -0.351 1
1 821 . 11 1 1 A 74 74 ARG CA C 74 60.414 59.197 1.217 1
1 822 . 11 1 1 A 74 74 ARG CB C 74 31.221 30.036 1.185 1
1 825 . 11 1 1 A 74 74 ARG N N 74 116.187 118.912 -2.725 1
1 826 . 11 1 1 A 75 75 LYS H H 75 7.359 8.071 -0.712 1
1 827 . 11 1 1 A 75 75 LYS HA H 75 4.054 4.032 0.022 1
1 834 . 11 1 1 A 75 75 LYS C C 75 178.301 178.630 -0.329 1
1 835 . 11 1 1 A 75 75 LYS CA C 75 58.908 59.287 -0.379 1
1 836 . 11 1 1 A 75 75 LYS CB C 75 32.463 31.863 0.600 1
1 840 . 11 1 1 A 75 75 LYS N N 75 118.329 118.568 -0.239 1
1 841 . 11 1 1 A 76 76 GLU H H 76 7.769 7.479 0.290 1
1 842 . 11 1 1 A 76 76 GLU HA H 76 4.051 4.012 0.039 1
1 847 . 11 1 1 A 76 76 GLU C C 76 178.261 179.486 -1.225 1
1 848 . 11 1 1 A 76 76 GLU CA C 76 58.200 58.907 -0.707 1
1 849 . 11 1 1 A 76 76 GLU CB C 76 29.841 29.564 0.277 1
1 851 . 11 1 1 A 76 76 GLU N N 76 119.947 119.141 0.806 1
1 852 . 11 1 1 A 77 77 ILE H H 77 7.826 7.795 0.031 1
1 853 . 11 1 1 A 77 77 ILE HA H 77 3.856 3.741 0.115 1
1 863 . 11 1 1 A 77 77 ILE C C 77 177.794 177.985 -0.191 1
1 864 . 11 1 1 A 77 77 ILE CA C 77 63.454 64.186 -0.732 1
1 865 . 11 1 1 A 77 77 ILE CB C 77 38.016 37.444 0.572 1
1 869 . 11 1 1 A 77 77 ILE N N 77 119.278 118.191 1.087 1
1 870 . 11 1 1 A 78 78 LYS H H 78 7.802 7.880 -0.078 1
1 871 . 11 1 1 A 78 78 LYS HA H 78 4.196 3.885 0.311 1
1 878 . 11 1 1 A 78 78 LYS C C 78 177.591 178.362 -0.771 1
1 879 . 11 1 1 A 78 78 LYS CA C 78 57.728 59.140 -1.412 1
1 880 . 11 1 1 A 78 78 LYS CB C 78 32.601 32.053 0.548 1
1 884 . 11 1 1 A 78 78 LYS N N 78 122.041 121.468 0.573 1
1 885 . 11 1 1 A 79 79 ARG H H 79 8.053 7.987 0.066 1
1 886 . 11 1 1 A 79 79 ARG HA H 79 4.196 3.954 0.242 1
1 891 . 11 1 1 A 79 79 ARG C C 79 177.448 178.630 -1.182 1
1 892 . 11 1 1 A 79 79 ARG CA C 79 57.639 59.368 -1.729 1
1 893 . 11 1 1 A 79 79 ARG CB C 79 30.531 29.645 0.886 1
1 896 . 11 1 1 A 79 79 ARG N N 79 120.496 119.863 0.633 1
1 897 . 11 1 1 A 80 80 ARG H H 80 8.083 7.614 0.469 1
1 898 . 11 1 1 A 80 80 ARG HA H 80 4.193 4.090 0.103 1
1 904 . 11 1 1 A 80 80 ARG C C 80 176.786 177.682 -0.896 1
1 905 . 11 1 1 A 80 80 ARG CA C 80 57.196 58.596 -1.400 1
1 906 . 11 1 1 A 80 80 ARG CB C 80 30.531 29.768 0.763 1
1 909 . 11 1 1 A 80 80 ARG N N 80 120.092 119.347 0.745 1
1 910 . 11 1 1 A 81 81 ALA H H 81 8.062 7.673 0.389 1
1 911 . 11 1 1 A 81 81 ALA HA H 81 4.256 4.264 -0.008 1
1 915 . 11 1 1 A 81 81 ALA C C 81 178.013 178.976 -0.963 1
1 916 . 11 1 1 A 81 81 ALA CA C 81 53.141 52.703 0.438 1
1 917 . 11 1 1 A 81 81 ALA CB C 81 19.003 19.523 -0.520 1
1 918 . 11 1 1 A 81 81 ALA N N 81 123.434 121.230 2.204 1
1 919 . 11 1 1 A 82 82 ASN H H 82 8.219 7.714 0.505 1
1 920 . 11 1 1 A 82 82 ASN HA H 82 4.661 4.735 -0.074 1
1 925 . 11 1 1 A 82 82 ASN C C 82 175.620 175.108 0.512 1
1 926 . 11 1 1 A 82 82 ASN CA C 82 53.686 55.142 -1.456 1
1 927 . 11 1 1 A 82 82 ASN CB C 82 38.672 39.132 -0.460 1
1 928 . 11 1 1 A 82 82 ASN N N 82 117.551 116.604 0.947 1
1 930 . 11 1 1 A 83 83 ILE H H 83 7.949 7.966 -0.017 1
1 931 . 11 1 1 A 83 83 ILE HA H 83 4.077 3.751 0.326 1
1 941 . 11 1 1 A 83 83 ILE C C 83 176.291 175.847 0.444 1
1 942 . 11 1 1 A 83 83 ILE CA C 83 61.695 62.654 -0.959 1
1 943 . 11 1 1 A 83 83 ILE CB C 83 38.672 36.403 2.269 1
1 947 . 11 1 1 A 83 83 ILE N N 83 120.666 119.050 1.616 1
1 948 . 11 1 1 A 84 84 ALA H H 84 8.184 8.051 0.133 1
1 949 . 11 1 1 A 84 84 ALA HA H 84 4.262 4.334 -0.072 1
1 953 . 11 1 1 A 84 84 ALA C C 84 177.794 176.463 1.331 1
1 954 . 11 1 1 A 84 84 ALA CA C 84 53.005 52.375 0.630 1
1 955 . 11 1 1 A 84 84 ALA CB C 84 18.941 18.959 -0.018 1
1 956 . 11 1 1 A 84 84 ALA N N 84 126.306 122.788 3.518 1
1 957 . 11 1 1 A 85 85 ALA H H 85 8.019 7.696 0.323 1
1 958 . 11 1 1 A 85 85 ALA HA H 85 4.263 4.674 -0.411 1
1 962 . 11 1 1 A 85 85 ALA C C 85 178.143 176.164 1.979 1
1 963 . 11 1 1 A 85 85 ALA CA C 85 52.857 50.657 2.200 1
1 964 . 11 1 1 A 85 85 ALA CB C 85 19.170 21.969 -2.799 1
1 965 . 11 1 1 A 85 85 ALA N N 85 122.320 120.040 2.280 1
1 966 . 11 1 1 A 86 86 ILE H H 86 7.959 8.486 -0.527 1
1 967 . 11 1 1 A 86 86 ILE HA H 86 4.077 4.164 -0.087 1
1 977 . 11 1 1 A 86 86 ILE C C 86 176.697 176.187 0.510 1
1 978 . 11 1 1 A 86 86 ILE CA C 86 61.654 62.625 -0.971 1
1 979 . 11 1 1 A 86 86 ILE CB C 86 38.603 38.686 -0.083 1
1 983 . 11 1 1 A 86 86 ILE N N 86 119.762 122.651 -2.889 1
1 984 . 11 1 1 A 87 87 LEU H H 87 8.219 7.629 0.590 1
1 985 . 11 1 1 A 87 87 LEU HA H 87 4.340 4.154 0.186 1
1 995 . 11 1 1 A 87 87 LEU C C 87 177.616 175.866 1.750 1
1 996 . 11 1 1 A 87 87 LEU CA C 87 55.425 55.911 -0.486 1
1 997 . 11 1 1 A 87 87 LEU CB C 87 42.328 42.854 -0.526 1
1 1001 . 11 1 1 A 87 87 LEU N N 87 125.404 124.225 1.179 1
1 1002 . 11 1 1 A 88 88 GLU H H 88 8.321 8.329 -0.008 1
1 1003 . 11 1 1 A 88 88 GLU HA H 88 4.287 4.721 -0.434 1
1 1008 . 11 1 1 A 88 88 GLU C C 88 176.636 175.348 1.288 1
1 1009 . 11 1 1 A 88 88 GLU CA C 88 56.872 55.775 1.097 1
1 1010 . 11 1 1 A 88 88 GLU CB C 88 30.186 30.188 -0.002 1
1 1012 . 11 1 1 A 88 88 GLU N N 88 121.673 123.951 -2.278 1
1 1013 . 11 1 1 A 89 89 SER H H 89 8.254 8.869 -0.615 1
1 1014 . 11 1 1 A 89 89 SER HA H 89 4.483 4.774 -0.291 1
1 1017 . 11 1 1 A 89 89 SER C C 89 174.693 173.171 1.522 1
1 1018 . 11 1 1 A 89 89 SER CA C 89 58.395 56.721 1.674 1
1 1019 . 11 1 1 A 89 89 SER CB C 89 64.017 63.416 0.601 1
1 1020 . 11 1 1 A 89 89 SER N N 89 116.276 121.087 -4.811 1
1 1021 . 11 1 1 A 90 90 SER H H 90 8.346 8.564 -0.218 1
1 1022 . 11 1 1 A 90 90 SER HA H 90 4.478 4.781 -0.303 1
1 1024 . 11 1 1 A 90 90 SER C C 90 174.564 174.377 0.187 1
1 1025 . 11 1 1 A 90 90 SER CA C 90 58.525 58.513 0.012 1
1 1026 . 11 1 1 A 90 90 SER CB C 90 64.129 64.114 0.015 1
1 1027 . 11 1 1 A 90 90 SER N N 90 117.689 121.867 -4.178 1
1 1028 . 11 1 1 A 91 91 GLY H H 91 8.213 8.687 -0.474 1
1 1029 . 11 1 1 A 91 91 GLY HA2 H 91 4.112 4.514 -0.402 1
1 1030 . 11 1 1 A 91 91 GLY HA3 H 91 4.112 4.515 -0.403 1
1 1031 . 11 1 1 A 91 91 GLY C C 91 171.803 173.395 -1.592 1
1 1032 . 11 1 1 A 91 91 GLY CA C 91 44.743 45.425 -0.682 1
1 1033 . 11 1 1 A 91 91 GLY N N 91 110.570 111.506 -0.936 1
1 1034 . 11 1 1 A 92 92 PRO HA H 92 4.530 4.481 0.049 1
1 1035 . 11 1 1 A 93 93 SER HA H 93 4.498 4.160 0.338 1
1 1037 . 11 1 1 A 93 93 SER C C 93 173.981 172.842 1.139 1
1 1038 . 11 1 1 A 93 93 SER CA C 93 57.378 59.276 -1.898 1
1 1039 . 11 1 1 A 93 93 SER CB C 93 58.505 60.871 -2.366 1
1 1040 . 11 1 1 A 94 94 SER H H 94 8.032 7.549 0.483 1
1 1041 . 11 1 1 A 94 94 SER HA H 94 4.498 5.117 -0.619 1
1 1043 . 11 1 1 A 94 94 SER C C 94 173.955 173.345 0.610 1
1 1044 . 11 1 1 A 94 94 SER CA C 94 58.436 56.998 1.438 1
1 1045 . 11 1 1 A 94 94 SER CB C 94 64.017 66.304 -2.287 1
1 1046 . 11 1 1 A 94 94 SER N N 94 116.327 111.680 4.647 1
1 1 . 12 1 1 A 11 11 ARG HA H 11 4.442 4.134 0.308 1
1 6 . 12 1 1 A 11 11 ARG C C 11 175.365 175.800 -0.435 1
1 7 . 12 1 1 A 11 11 ARG CA C 11 55.738 58.841 -3.103 1
1 8 . 12 1 1 A 11 11 ARG CB C 11 31.419 29.819 1.600 1
1 11 . 12 1 1 A 12 12 PHE H H 12 8.430 7.902 0.528 1
1 12 . 12 1 1 A 12 12 PHE HA H 12 4.481 4.775 -0.294 1
1 20 . 12 1 1 A 12 12 PHE C C 12 174.869 173.154 1.715 1
1 21 . 12 1 1 A 12 12 PHE CA C 12 58.525 56.052 2.473 1
1 22 . 12 1 1 A 12 12 PHE CB C 12 39.955 41.790 -1.835 1
1 28 . 12 1 1 A 12 12 PHE N N 12 123.637 119.235 4.402 1
1 29 . 12 1 1 A 13 13 THR H H 13 7.543 8.325 -0.782 1
1 30 . 12 1 1 A 13 13 THR HA H 13 4.216 4.316 -0.100 1
1 35 . 12 1 1 A 13 13 THR C C 13 172.757 172.940 -0.183 1
1 36 . 12 1 1 A 13 13 THR CA C 13 60.703 60.190 0.513 1
1 37 . 12 1 1 A 13 13 THR CB C 13 70.578 70.137 0.441 1
1 39 . 12 1 1 A 13 13 THR N N 13 122.237 121.741 0.496 1
1 40 . 12 1 1 A 14 14 TRP H H 14 8.427 8.652 -0.225 1
1 41 . 12 1 1 A 14 14 TRP HA H 14 4.195 4.970 -0.775 1
1 50 . 12 1 1 A 14 14 TRP C C 14 177.225 175.707 1.518 1
1 51 . 12 1 1 A 14 14 TRP CA C 14 57.137 55.498 1.639 1
1 52 . 12 1 1 A 14 14 TRP CB C 14 29.919 32.667 -2.748 1
1 58 . 12 1 1 A 14 14 TRP N N 14 125.363 122.759 2.604 1
1 60 . 12 1 1 A 15 15 ARG H H 15 8.790 9.049 -0.259 1
1 61 . 12 1 1 A 15 15 ARG HA H 15 4.436 4.587 -0.151 1
1 67 . 12 1 1 A 15 15 ARG C C 15 176.254 177.543 -1.289 1
1 68 . 12 1 1 A 15 15 ARG CA C 15 54.848 55.025 -0.177 1
1 69 . 12 1 1 A 15 15 ARG CB C 15 30.217 32.226 -2.009 1
1 72 . 12 1 1 A 15 15 ARG N N 15 124.453 122.436 2.017 1
1 73 . 12 1 1 A 16 16 LYS H H 16 7.990 8.772 -0.782 1
1 74 . 12 1 1 A 16 16 LYS HA H 16 3.949 4.077 -0.128 1
1 81 . 12 1 1 A 16 16 LYS C C 16 179.133 178.428 0.705 1
1 82 . 12 1 1 A 16 16 LYS CA C 16 60.206 59.016 1.190 1
1 83 . 12 1 1 A 16 16 LYS CB C 16 32.102 31.942 0.160 1
1 87 . 12 1 1 A 16 16 LYS N N 16 120.654 122.869 -2.215 1
1 88 . 12 1 1 A 17 17 GLU H H 17 10.775 8.167 2.608 1
1 89 . 12 1 1 A 17 17 GLU HA H 17 4.126 4.026 0.100 1
1 94 . 12 1 1 A 17 17 GLU C C 17 179.581 179.090 0.491 1
1 95 . 12 1 1 A 17 17 GLU CA C 17 60.262 59.432 0.830 1
1 96 . 12 1 1 A 17 17 GLU CB C 17 28.944 29.666 -0.722 1
1 98 . 12 1 1 A 17 17 GLU N N 17 119.914 118.934 0.980 1
1 99 . 12 1 1 A 18 18 CYS H H 18 7.314 8.336 -1.022 1
1 100 . 12 1 1 A 18 18 CYS HA H 18 4.166 4.279 -0.113 1
1 103 . 12 1 1 A 18 18 CYS C C 18 176.250 177.503 -1.253 1
1 104 . 12 1 1 A 18 18 CYS CA C 18 61.093 63.038 -1.945 1
1 105 . 12 1 1 A 18 18 CYS CB C 18 27.636 27.015 0.621 1
1 106 . 12 1 1 A 18 18 CYS N N 18 115.339 118.958 -3.619 1
1 107 . 12 1 1 A 19 19 LEU H H 19 7.975 8.416 -0.441 1
1 108 . 12 1 1 A 19 19 LEU HA H 19 3.365 3.525 -0.160 1
1 118 . 12 1 1 A 19 19 LEU C C 19 178.119 178.419 -0.300 1
1 119 . 12 1 1 A 19 19 LEU CA C 19 58.084 57.693 0.391 1
1 120 . 12 1 1 A 19 19 LEU CB C 19 40.713 41.192 -0.479 1
1 124 . 12 1 1 A 19 19 LEU N N 19 120.346 123.156 -2.810 1
1 125 . 12 1 1 A 20 20 ALA H H 20 7.481 8.127 -0.646 1
1 126 . 12 1 1 A 20 20 ALA HA H 20 4.079 3.930 0.149 1
1 130 . 12 1 1 A 20 20 ALA C C 20 180.800 180.367 0.433 1
1 131 . 12 1 1 A 20 20 ALA CA C 20 55.172 55.358 -0.186 1
1 132 . 12 1 1 A 20 20 ALA CB C 20 17.975 18.044 -0.069 1
1 133 . 12 1 1 A 20 20 ALA N N 20 119.101 122.012 -2.911 1
1 134 . 12 1 1 A 21 21 VAL H H 21 6.932 7.331 -0.399 1
1 135 . 12 1 1 A 21 21 VAL HA H 21 3.752 3.544 0.208 1
1 143 . 12 1 1 A 21 21 VAL C C 21 178.850 178.411 0.439 1
1 144 . 12 1 1 A 21 21 VAL CA C 21 66.018 67.028 -1.010 1
1 145 . 12 1 1 A 21 21 VAL CB C 21 32.168 31.470 0.698 1
1 148 . 12 1 1 A 21 21 VAL N N 21 118.965 117.788 1.177 1
1 149 . 12 1 1 A 22 22 MET H H 22 7.925 7.584 0.341 1
1 150 . 12 1 1 A 22 22 MET HA H 22 3.894 4.226 -0.332 1
1 158 . 12 1 1 A 22 22 MET C C 22 177.997 178.774 -0.777 1
1 159 . 12 1 1 A 22 22 MET CA C 22 60.060 58.631 1.429 1
1 160 . 12 1 1 A 22 22 MET CB C 22 30.494 32.046 -1.552 1
1 163 . 12 1 1 A 22 22 MET N N 22 118.668 117.500 1.168 1
1 164 . 12 1 1 A 23 23 GLU H H 23 8.452 7.757 0.695 1
1 165 . 12 1 1 A 23 23 GLU HA H 23 4.048 4.106 -0.058 1
1 170 . 12 1 1 A 23 23 GLU C C 23 178.809 179.183 -0.374 1
1 171 . 12 1 1 A 23 23 GLU CA C 23 59.676 59.324 0.352 1
1 172 . 12 1 1 A 23 23 GLU CB C 23 29.289 29.031 0.258 1
1 174 . 12 1 1 A 23 23 GLU N N 23 118.239 119.734 -1.495 1
1 175 . 12 1 1 A 24 24 SER H H 24 7.431 7.588 -0.157 1
1 176 . 12 1 1 A 24 24 SER HA H 24 4.279 4.272 0.007 1
1 179 . 12 1 1 A 24 24 SER C C 24 177.916 177.232 0.684 1
1 180 . 12 1 1 A 24 24 SER CA C 24 61.785 61.676 0.109 1
1 181 . 12 1 1 A 24 24 SER CB C 24 62.616 63.260 -0.644 1
1 182 . 12 1 1 A 24 24 SER N N 24 113.792 116.094 -2.302 1
1 183 . 12 1 1 A 25 25 TYR H H 25 7.845 8.148 -0.303 1
1 184 . 12 1 1 A 25 25 TYR HA H 25 4.354 4.349 0.005 1
1 191 . 12 1 1 A 25 25 TYR C C 25 178.789 179.051 -0.262 1
1 192 . 12 1 1 A 25 25 TYR CA C 25 63.193 60.860 2.333 1
1 193 . 12 1 1 A 25 25 TYR CB C 25 38.706 38.196 0.510 1
1 198 . 12 1 1 A 25 25 TYR N N 25 120.184 119.244 0.940 1
1 199 . 12 1 1 A 26 26 PHE H H 26 9.279 8.331 0.948 1
1 200 . 12 1 1 A 26 26 PHE HA H 26 4.237 4.675 -0.438 1
1 208 . 12 1 1 A 26 26 PHE C C 26 175.885 178.067 -2.182 1
1 209 . 12 1 1 A 26 26 PHE CA C 26 62.008 61.609 0.399 1
1 210 . 12 1 1 A 26 26 PHE CB C 26 39.072 39.092 -0.020 1
1 216 . 12 1 1 A 26 26 PHE N N 26 123.634 120.606 3.028 1
1 217 . 12 1 1 A 27 27 ASN H H 27 7.807 8.144 -0.337 1
1 218 . 12 1 1 A 27 27 ASN HA H 27 4.409 4.538 -0.129 1
1 223 . 12 1 1 A 27 27 ASN C C 27 176.108 177.356 -1.248 1
1 224 . 12 1 1 A 27 27 ASN CA C 27 55.307 56.396 -1.089 1
1 225 . 12 1 1 A 27 27 ASN CB C 27 38.810 38.064 0.746 1
1 226 . 12 1 1 A 27 27 ASN N N 27 112.896 117.542 -4.646 1
1 228 . 12 1 1 A 28 28 GLU H H 28 7.431 7.938 -0.507 1
1 229 . 12 1 1 A 28 28 GLU HA H 28 4.274 4.312 -0.038 1
1 234 . 12 1 1 A 28 28 GLU C C 28 176.880 176.468 0.412 1
1 235 . 12 1 1 A 28 28 GLU CA C 28 57.875 57.953 -0.078 1
1 236 . 12 1 1 A 28 28 GLU CB C 28 30.965 29.832 1.133 1
1 238 . 12 1 1 A 28 28 GLU N N 28 117.899 114.748 3.151 1
1 239 . 12 1 1 A 29 29 ASN H H 29 7.950 8.207 -0.257 1
1 240 . 12 1 1 A 29 29 ASN HA H 29 4.562 4.948 -0.386 1
1 245 . 12 1 1 A 29 29 ASN C C 29 174.036 175.038 -1.002 1
1 246 . 12 1 1 A 29 29 ASN CA C 29 53.654 52.921 0.733 1
1 247 . 12 1 1 A 29 29 ASN CB C 29 39.361 40.496 -1.135 1
1 248 . 12 1 1 A 29 29 ASN N N 29 116.656 117.451 -0.795 1
1 250 . 12 1 1 A 30 30 GLN H H 30 8.658 8.370 0.288 1
1 251 . 12 1 1 A 30 30 GLN HA H 30 3.848 3.219 0.629 1
1 258 . 12 1 1 A 30 30 GLN C C 30 174.503 175.490 -0.987 1
1 259 . 12 1 1 A 30 30 GLN CA C 30 57.336 58.667 -1.331 1
1 260 . 12 1 1 A 30 30 GLN CB C 30 27.978 28.808 -0.830 1
1 262 . 12 1 1 A 30 30 GLN N N 30 122.486 123.330 -0.844 1
1 264 . 12 1 1 A 31 31 TYR H H 31 8.181 8.013 0.168 1
1 265 . 12 1 1 A 31 31 TYR HA H 31 4.769 5.138 -0.369 1
1 272 . 12 1 1 A 31 31 TYR C C 31 172.816 173.185 -0.369 1
1 273 . 12 1 1 A 31 31 TYR CA C 31 55.409 54.310 1.099 1
1 274 . 12 1 1 A 31 31 TYR CB C 31 38.938 38.933 0.005 1
1 279 . 12 1 1 A 31 31 TYR N N 31 116.012 117.625 -1.613 1
1 280 . 12 1 1 A 32 32 PRO HA H 32 4.320 4.576 -0.256 1
1 287 . 12 1 1 A 32 32 PRO C C 32 177.530 176.930 0.600 1
1 288 . 12 1 1 A 32 32 PRO CA C 32 63.041 62.652 0.389 1
1 289 . 12 1 1 A 32 32 PRO CB C 32 31.052 31.831 -0.779 1
1 292 . 12 1 1 A 33 33 ASP H H 33 8.439 8.468 -0.029 1
1 293 . 12 1 1 A 33 33 ASP HA H 33 4.475 4.637 -0.162 1
1 296 . 12 1 1 A 33 33 ASP C C 33 175.397 177.521 -2.124 1
1 297 . 12 1 1 A 33 33 ASP CA C 33 52.562 54.414 -1.852 1
1 298 . 12 1 1 A 33 33 ASP CB C 33 40.363 41.854 -1.491 1
1 299 . 12 1 1 A 33 33 ASP N N 33 125.278 122.200 3.078 1
1 300 . 12 1 1 A 34 34 GLU H H 34 8.644 8.984 -0.340 1
1 301 . 12 1 1 A 34 34 GLU HA H 34 3.613 3.867 -0.254 1
1 306 . 12 1 1 A 34 34 GLU C C 34 178.261 178.510 -0.249 1
1 307 . 12 1 1 A 34 34 GLU CA C 34 61.565 59.033 2.532 1
1 308 . 12 1 1 A 34 34 GLU CB C 34 29.289 29.440 -0.151 1
1 310 . 12 1 1 A 34 34 GLU N N 34 118.756 121.397 -2.641 1
1 311 . 12 1 1 A 35 35 ALA H H 35 8.121 8.196 -0.075 1
1 312 . 12 1 1 A 35 35 ALA HA H 35 4.155 4.077 0.078 1
1 316 . 12 1 1 A 35 35 ALA C C 35 181.307 179.694 1.613 1
1 317 . 12 1 1 A 35 35 ALA CA C 35 54.953 55.213 -0.260 1
1 318 . 12 1 1 A 35 35 ALA CB C 35 17.975 18.282 -0.307 1
1 319 . 12 1 1 A 35 35 ALA N N 35 121.196 122.198 -1.002 1
1 320 . 12 1 1 A 36 36 LYS H H 36 8.448 7.922 0.526 1
1 321 . 12 1 1 A 36 36 LYS HA H 36 4.157 4.014 0.143 1
1 330 . 12 1 1 A 36 36 LYS C C 36 178.769 178.508 0.261 1
1 331 . 12 1 1 A 36 36 LYS CA C 36 56.576 59.622 -3.046 1
1 332 . 12 1 1 A 36 36 LYS CB C 36 29.689 32.182 -2.493 1
1 336 . 12 1 1 A 36 36 LYS N N 36 121.690 118.435 3.255 1
1 337 . 12 1 1 A 37 37 ARG H H 37 8.977 7.970 1.007 1
1 338 . 12 1 1 A 37 37 ARG HA H 37 3.711 3.860 -0.149 1
1 345 . 12 1 1 A 37 37 ARG C C 37 178.444 178.797 -0.353 1
1 346 . 12 1 1 A 37 37 ARG CA C 37 61.131 59.625 1.506 1
1 347 . 12 1 1 A 37 37 ARG CB C 37 30.941 29.986 0.955 1
1 350 . 12 1 1 A 37 37 ARG N N 37 117.588 118.724 -1.136 1
1 351 . 12 1 1 A 38 38 GLU H H 38 7.750 7.772 -0.022 1
1 352 . 12 1 1 A 38 38 GLU HA H 38 4.083 4.159 -0.076 1
1 357 . 12 1 1 A 38 38 GLU C C 38 178.301 179.662 -1.361 1
1 358 . 12 1 1 A 38 38 GLU CA C 38 59.321 58.344 0.977 1
1 359 . 12 1 1 A 38 38 GLU CB C 38 29.013 29.390 -0.377 1
1 361 . 12 1 1 A 38 38 GLU N N 38 119.080 119.954 -0.874 1
1 362 . 12 1 1 A 39 39 GLU H H 39 7.540 7.792 -0.252 1
1 363 . 12 1 1 A 39 39 GLU HA H 39 4.048 4.113 -0.065 1
1 368 . 12 1 1 A 39 39 GLU C C 39 179.784 178.766 1.018 1
1 369 . 12 1 1 A 39 39 GLU CA C 39 59.646 59.076 0.570 1
1 370 . 12 1 1 A 39 39 GLU CB C 39 29.409 29.693 -0.284 1
1 372 . 12 1 1 A 39 39 GLU N N 39 121.188 119.678 1.510 1
1 373 . 12 1 1 A 40 40 ILE H H 40 8.634 7.948 0.686 1
1 374 . 12 1 1 A 40 40 ILE HA H 40 3.133 3.470 -0.337 1
1 384 . 12 1 1 A 40 40 ILE C C 40 178.119 177.674 0.445 1
1 385 . 12 1 1 A 40 40 ILE CA C 40 65.462 62.783 2.679 1
1 386 . 12 1 1 A 40 40 ILE CB C 40 37.951 36.653 1.298 1
1 390 . 12 1 1 A 40 40 ILE N N 40 121.126 120.126 1.000 1
1 391 . 12 1 1 A 41 41 ALA H H 41 8.462 8.017 0.445 1
1 392 . 12 1 1 A 41 41 ALA HA H 41 3.713 3.958 -0.245 1
1 396 . 12 1 1 A 41 41 ALA C C 41 178.850 179.957 -1.107 1
1 397 . 12 1 1 A 41 41 ALA CA C 41 56.014 55.298 0.716 1
1 398 . 12 1 1 A 41 41 ALA CB C 41 16.779 17.792 -1.013 1
1 399 . 12 1 1 A 41 41 ALA N N 41 123.029 123.627 -0.598 1
1 400 . 12 1 1 A 42 42 ASN H H 42 8.264 8.544 -0.280 1
1 401 . 12 1 1 A 42 42 ASN HA H 42 4.521 4.417 0.104 1
1 406 . 12 1 1 A 42 42 ASN C C 42 178.220 177.553 0.667 1
1 407 . 12 1 1 A 42 42 ASN CA C 42 56.193 55.718 0.475 1
1 408 . 12 1 1 A 42 42 ASN CB C 42 37.775 37.801 -0.026 1
1 409 . 12 1 1 A 42 42 ASN N N 42 115.462 117.965 -2.503 1
1 411 . 12 1 1 A 43 43 ALA H H 43 8.403 7.675 0.728 1
1 412 . 12 1 1 A 43 43 ALA HA H 43 4.273 4.106 0.167 1
1 416 . 12 1 1 A 43 43 ALA C C 43 180.962 180.124 0.838 1
1 417 . 12 1 1 A 43 43 ALA CA C 43 55.200 55.123 0.077 1
1 418 . 12 1 1 A 43 43 ALA CB C 43 18.478 17.942 0.536 1
1 419 . 12 1 1 A 43 43 ALA N N 43 125.139 122.539 2.600 1
1 420 . 12 1 1 A 44 44 CYS H H 44 8.457 7.710 0.747 1
1 421 . 12 1 1 A 44 44 CYS HA H 44 4.156 4.131 0.025 1
1 424 . 12 1 1 A 44 44 CYS C C 44 176.534 177.135 -0.601 1
1 425 . 12 1 1 A 44 44 CYS CA C 44 64.768 63.577 1.191 1
1 426 . 12 1 1 A 44 44 CYS CB C 44 27.644 26.694 0.950 1
1 427 . 12 1 1 A 44 44 CYS N N 44 116.609 116.306 0.303 1
1 428 . 12 1 1 A 45 45 ASN H H 45 8.346 7.848 0.498 1
1 429 . 12 1 1 A 45 45 ASN HA H 45 4.613 4.507 0.106 1
1 434 . 12 1 1 A 45 45 ASN C C 45 177.631 177.753 -0.122 1
1 435 . 12 1 1 A 45 45 ASN CA C 45 55.723 56.112 -0.389 1
1 436 . 12 1 1 A 45 45 ASN CB C 45 37.526 37.994 -0.468 1
1 437 . 12 1 1 A 45 45 ASN N N 45 117.491 118.480 -0.989 1
1 439 . 12 1 1 A 46 46 ALA H H 46 8.014 7.662 0.352 1
1 440 . 12 1 1 A 46 46 ALA HA H 46 4.200 4.078 0.122 1
1 444 . 12 1 1 A 46 46 ALA C C 46 180.292 179.565 0.727 1
1 445 . 12 1 1 A 46 46 ALA CA C 46 54.805 55.110 -0.305 1
1 446 . 12 1 1 A 46 46 ALA CB C 46 18.283 18.337 -0.054 1
1 447 . 12 1 1 A 46 46 ALA N N 46 120.198 123.432 -3.234 1
1 448 . 12 1 1 A 47 47 VAL H H 47 7.240 8.114 -0.874 1
1 449 . 12 1 1 A 47 47 VAL HA H 47 4.306 3.786 0.520 1
1 457 . 12 1 1 A 47 47 VAL C C 47 177.083 177.523 -0.440 1
1 458 . 12 1 1 A 47 47 VAL CA C 47 63.484 65.515 -2.031 1
1 459 . 12 1 1 A 47 47 VAL CB C 47 31.935 31.460 0.475 1
1 462 . 12 1 1 A 47 47 VAL N N 47 110.165 116.474 -6.309 1
1 463 . 12 1 1 A 48 48 ILE H H 48 7.146 7.394 -0.248 1
1 464 . 12 1 1 A 48 48 ILE HA H 48 4.473 4.169 0.304 1
1 474 . 12 1 1 A 48 48 ILE C C 48 175.966 176.035 -0.069 1
1 475 . 12 1 1 A 48 48 ILE CA C 48 62.055 63.479 -1.424 1
1 476 . 12 1 1 A 48 48 ILE CB C 48 39.444 38.067 1.377 1
1 480 . 12 1 1 A 48 48 ILE N N 48 112.085 116.859 -4.774 1
1 481 . 12 1 1 A 49 49 GLN H H 49 7.671 8.127 -0.456 1
1 482 . 12 1 1 A 49 49 GLN HA H 49 4.254 4.098 0.156 1
1 489 . 12 1 1 A 49 49 GLN C C 49 175.417 175.484 -0.067 1
1 490 . 12 1 1 A 49 49 GLN CA C 49 56.370 56.495 -0.125 1
1 491 . 12 1 1 A 49 49 GLN CB C 49 29.289 29.058 0.231 1
1 493 . 12 1 1 A 49 49 GLN N N 49 123.076 123.365 -0.289 1
1 495 . 12 1 1 A 50 50 LYS H H 50 8.932 8.638 0.294 1
1 496 . 12 1 1 A 50 50 LYS HA H 50 4.760 4.747 0.013 1
1 502 . 12 1 1 A 50 50 LYS C C 50 174.497 174.203 0.294 1
1 503 . 12 1 1 A 50 50 LYS CA C 50 53.341 53.242 0.099 1
1 504 . 12 1 1 A 50 50 LYS CB C 50 32.860 33.097 -0.237 1
1 506 . 12 1 1 A 50 50 LYS N N 50 127.505 126.674 0.831 1
1 507 . 12 1 1 A 51 51 PRO HA H 51 4.328 4.302 0.026 1
1 514 . 12 1 1 A 51 51 PRO CA C 51 64.015 63.734 0.281 1
1 515 . 12 1 1 A 51 51 PRO CB C 51 31.590 31.268 0.322 1
1 518 . 12 1 1 A 52 52 GLY H H 52 8.752 8.769 -0.017 1
1 519 . 12 1 1 A 52 52 GLY HA2 H 52 4.113 3.963 0.150 1
1 520 . 12 1 1 A 52 52 GLY HA3 H 52 3.728 3.963 -0.235 1
1 521 . 12 1 1 A 52 52 GLY C C 52 173.732 173.512 0.220 1
1 522 . 12 1 1 A 52 52 GLY CA C 52 45.646 45.678 -0.032 1
1 523 . 12 1 1 A 53 53 LYS H H 53 7.734 7.580 0.154 1
1 524 . 12 1 1 A 53 53 LYS HA H 53 4.621 4.815 -0.194 1
1 531 . 12 1 1 A 53 53 LYS C C 53 175.681 175.225 0.456 1
1 532 . 12 1 1 A 53 53 LYS CA C 53 54.451 54.084 0.367 1
1 533 . 12 1 1 A 53 53 LYS CB C 53 34.466 35.506 -1.040 1
1 537 . 12 1 1 A 53 53 LYS N N 53 120.205 119.918 0.287 1
1 538 . 12 1 1 A 54 54 LYS H H 54 8.536 8.554 -0.018 1
1 539 . 12 1 1 A 54 54 LYS HA H 54 4.412 4.926 -0.514 1
1 546 . 12 1 1 A 54 54 LYS C C 54 177.022 175.072 1.950 1
1 547 . 12 1 1 A 54 54 LYS CA C 54 55.691 54.438 1.253 1
1 548 . 12 1 1 A 54 54 LYS CB C 54 33.453 35.224 -1.771 1
1 552 . 12 1 1 A 54 54 LYS N N 54 124.424 120.845 3.579 1
1 553 . 12 1 1 A 55 55 LEU H H 55 8.656 8.694 -0.038 1
1 554 . 12 1 1 A 55 55 LEU HA H 55 4.407 5.001 -0.594 1
1 564 . 12 1 1 A 55 55 LEU C C 55 177.448 176.374 1.074 1
1 565 . 12 1 1 A 55 55 LEU CA C 55 54.670 53.583 1.087 1
1 566 . 12 1 1 A 55 55 LEU CB C 55 43.243 43.843 -0.600 1
1 570 . 12 1 1 A 55 55 LEU N N 55 126.145 123.484 2.661 1
1 571 . 12 1 1 A 56 56 SER H H 56 9.313 8.657 0.656 1
1 572 . 12 1 1 A 56 56 SER HA H 56 4.496 4.829 -0.333 1
1 575 . 12 1 1 A 56 56 SER C C 56 175.226 175.383 -0.157 1
1 576 . 12 1 1 A 56 56 SER CA C 56 57.507 56.143 1.364 1
1 577 . 12 1 1 A 56 56 SER CB C 56 64.802 64.795 0.007 1
1 578 . 12 1 1 A 56 56 SER N N 56 121.790 118.206 3.584 1
1 579 . 12 1 1 A 57 57 ASP H H 57 8.929 9.116 -0.187 1
1 580 . 12 1 1 A 57 57 ASP HA H 57 4.314 4.248 0.066 1
1 583 . 12 1 1 A 57 57 ASP C C 57 177.855 178.225 -0.370 1
1 584 . 12 1 1 A 57 57 ASP CA C 57 57.403 56.946 0.457 1
1 585 . 12 1 1 A 57 57 ASP CB C 57 40.353 40.203 0.150 1
1 586 . 12 1 1 A 58 58 LEU H H 58 7.824 8.190 -0.366 1
1 587 . 12 1 1 A 58 58 LEU HA H 58 4.194 3.937 0.257 1
1 597 . 12 1 1 A 58 58 LEU C C 58 177.509 178.084 -0.575 1
1 598 . 12 1 1 A 58 58 LEU CA C 58 56.754 57.998 -1.244 1
1 599 . 12 1 1 A 58 58 LEU CB C 58 42.259 41.072 1.187 1
1 603 . 12 1 1 A 58 58 LEU N N 58 117.552 120.883 -3.331 1
1 604 . 12 1 1 A 59 59 GLU H H 59 7.325 7.325 0.000 1
1 605 . 12 1 1 A 59 59 GLU HA H 59 4.286 4.610 -0.324 1
1 610 . 12 1 1 A 59 59 GLU C C 59 175.661 176.771 -1.110 1
1 611 . 12 1 1 A 59 59 GLU CA C 59 56.370 56.825 -0.455 1
1 612 . 12 1 1 A 59 59 GLU CB C 59 32.314 30.039 2.275 1
1 614 . 12 1 1 A 59 59 GLU N N 59 115.631 116.483 -0.852 1
1 615 . 12 1 1 A 60 60 ARG H H 60 7.408 7.723 -0.315 1
1 616 . 12 1 1 A 60 60 ARG HA H 60 3.948 4.634 -0.686 1
1 623 . 12 1 1 A 60 60 ARG C C 60 175.194 175.186 0.008 1
1 624 . 12 1 1 A 60 60 ARG CA C 60 57.167 56.407 0.760 1
1 625 . 12 1 1 A 60 60 ARG CB C 60 31.083 30.436 0.647 1
1 628 . 12 1 1 A 60 60 ARG N N 60 118.018 122.888 -4.870 1
1 629 . 12 1 1 A 61 61 VAL H H 61 10.175 8.592 1.583 1
1 630 . 12 1 1 A 61 61 VAL HA H 61 3.462 4.068 -0.606 1
1 638 . 12 1 1 A 61 61 VAL C C 61 175.681 175.902 -0.221 1
1 639 . 12 1 1 A 61 61 VAL CA C 61 65.077 63.202 1.875 1
1 640 . 12 1 1 A 61 61 VAL CB C 61 31.702 31.157 0.545 1
1 643 . 12 1 1 A 61 61 VAL N N 61 128.658 127.519 1.139 1
1 644 . 12 1 1 A 62 62 THR H H 62 6.270 8.274 -2.004 1
1 645 . 12 1 1 A 62 62 THR HA H 62 4.780 4.743 0.037 1
1 650 . 12 1 1 A 62 62 THR C C 62 175.064 176.287 -1.223 1
1 651 . 12 1 1 A 62 62 THR CA C 62 58.600 60.185 -1.585 1
1 652 . 12 1 1 A 62 62 THR CB C 62 72.355 71.703 0.652 1
1 654 . 12 1 1 A 62 62 THR N N 62 114.178 119.642 -5.464 1
1 655 . 12 1 1 A 63 63 SER HA H 63 3.869 4.138 -0.269 1
1 658 . 12 1 1 A 63 63 SER C C 63 176.656 176.792 -0.136 1
1 659 . 12 1 1 A 63 63 SER CA C 63 61.433 61.724 -0.291 1
1 660 . 12 1 1 A 63 63 SER CB C 63 62.197 62.408 -0.211 1
1 661 . 12 1 1 A 64 64 LEU H H 64 8.062 7.787 0.275 1
1 662 . 12 1 1 A 64 64 LEU HA H 64 4.367 4.215 0.152 1
1 672 . 12 1 1 A 64 64 LEU C C 64 178.789 179.099 -0.310 1
1 673 . 12 1 1 A 64 64 LEU CA C 64 57.964 57.686 0.278 1
1 674 . 12 1 1 A 64 64 LEU CB C 64 42.052 41.561 0.491 1
1 678 . 12 1 1 A 64 64 LEU N N 64 123.294 126.356 -3.062 1
1 679 . 12 1 1 A 65 65 LYS H H 65 7.524 7.784 -0.260 1
1 680 . 12 1 1 A 65 65 LYS HA H 65 4.292 4.094 0.198 1
1 689 . 12 1 1 A 65 65 LYS C C 65 180.779 179.698 1.081 1
1 690 . 12 1 1 A 65 65 LYS CA C 65 60.266 59.657 0.609 1
1 691 . 12 1 1 A 65 65 LYS CB C 65 32.808 32.523 0.285 1
1 695 . 12 1 1 A 65 65 LYS N N 65 119.262 119.023 0.239 1
1 696 . 12 1 1 A 66 66 VAL H H 66 8.290 7.760 0.530 1
1 697 . 12 1 1 A 66 66 VAL HA H 66 4.075 3.888 0.187 1
1 705 . 12 1 1 A 66 66 VAL C C 66 177.509 177.883 -0.374 1
1 706 . 12 1 1 A 66 66 VAL CA C 66 66.963 66.366 0.597 1
1 707 . 12 1 1 A 66 66 VAL CB C 66 32.419 31.772 0.647 1
1 710 . 12 1 1 A 66 66 VAL N N 66 119.900 120.336 -0.436 1
1 711 . 12 1 1 A 67 67 TYR H H 67 8.893 8.104 0.789 1
1 712 . 12 1 1 A 67 67 TYR HA H 67 3.857 4.169 -0.312 1
1 719 . 12 1 1 A 67 67 TYR C C 67 177.956 178.133 -0.177 1
1 720 . 12 1 1 A 67 67 TYR CA C 67 62.897 61.591 1.306 1
1 721 . 12 1 1 A 67 67 TYR CB C 67 38.326 38.696 -0.370 1
1 726 . 12 1 1 A 67 67 TYR N N 67 120.861 121.137 -0.276 1
1 727 . 12 1 1 A 68 68 ASN H H 68 8.561 8.073 0.488 1
1 728 . 12 1 1 A 68 68 ASN HA H 68 4.545 4.483 0.062 1
1 733 . 12 1 1 A 68 68 ASN C C 68 177.570 178.246 -0.676 1
1 734 . 12 1 1 A 68 68 ASN CA C 68 56.222 56.611 -0.389 1
1 735 . 12 1 1 A 68 68 ASN CB C 68 38.465 38.420 0.045 1
1 736 . 12 1 1 A 68 68 ASN N N 68 117.386 117.399 -0.013 1
1 738 . 12 1 1 A 69 69 TRP H H 69 8.655 8.206 0.449 1
1 739 . 12 1 1 A 69 69 TRP HA H 69 4.151 4.313 -0.162 1
1 748 . 12 1 1 A 69 69 TRP C C 69 179.764 178.208 1.556 1
1 749 . 12 1 1 A 69 69 TRP CA C 69 63.194 61.482 1.712 1
1 750 . 12 1 1 A 69 69 TRP CB C 69 29.720 29.492 0.228 1
1 756 . 12 1 1 A 69 69 TRP N N 69 123.454 122.697 0.757 1
1 758 . 12 1 1 A 70 70 PHE H H 70 9.166 8.452 0.714 1
1 759 . 12 1 1 A 70 70 PHE HA H 70 3.745 4.394 -0.649 1
1 767 . 12 1 1 A 70 70 PHE C C 70 177.469 178.361 -0.892 1
1 768 . 12 1 1 A 70 70 PHE CA C 70 62.862 61.739 1.123 1
1 769 . 12 1 1 A 70 70 PHE CB C 70 39.115 37.978 1.137 1
1 775 . 12 1 1 A 70 70 PHE N N 70 120.259 118.285 1.974 1
1 776 . 12 1 1 A 71 71 ALA H H 71 8.169 8.413 -0.244 1
1 777 . 12 1 1 A 71 71 ALA HA H 71 3.868 3.915 -0.047 1
1 781 . 12 1 1 A 71 71 ALA C C 71 180.698 179.601 1.097 1
1 782 . 12 1 1 A 71 71 ALA CA C 71 55.307 55.094 0.213 1
1 783 . 12 1 1 A 71 71 ALA CB C 71 17.697 17.911 -0.214 1
1 784 . 12 1 1 A 71 71 ALA N N 71 120.051 122.352 -2.301 1
1 785 . 12 1 1 A 72 72 ASN H H 72 7.789 7.811 -0.022 1
1 786 . 12 1 1 A 72 72 ASN HA H 72 4.280 4.299 -0.019 1
1 791 . 12 1 1 A 72 72 ASN C C 72 177.022 177.539 -0.517 1
1 792 . 12 1 1 A 72 72 ASN CA C 72 56.222 56.223 -0.001 1
1 793 . 12 1 1 A 72 72 ASN CB C 72 38.363 38.614 -0.251 1
1 794 . 12 1 1 A 72 72 ASN N N 72 116.515 116.614 -0.099 1
1 796 . 12 1 1 A 73 73 ARG H H 73 7.999 7.492 0.507 1
1 797 . 12 1 1 A 73 73 ARG HA H 73 3.416 3.676 -0.260 1
1 805 . 12 1 1 A 73 73 ARG C C 73 178.708 178.813 -0.105 1
1 806 . 12 1 1 A 73 73 ARG CA C 73 57.403 59.227 -1.824 1
1 807 . 12 1 1 A 73 73 ARG CB C 73 28.264 29.290 -1.026 1
1 810 . 12 1 1 A 73 73 ARG N N 73 123.203 119.424 3.779 1
1 812 . 12 1 1 A 74 74 ARG H H 74 8.033 8.023 0.010 1
1 813 . 12 1 1 A 74 74 ARG HA H 74 4.017 4.104 -0.087 1
1 820 . 12 1 1 A 74 74 ARG C C 74 178.850 179.082 -0.232 1
1 821 . 12 1 1 A 74 74 ARG CA C 74 60.414 59.761 0.653 1
1 822 . 12 1 1 A 74 74 ARG CB C 74 31.221 29.975 1.246 1
1 825 . 12 1 1 A 74 74 ARG N N 74 116.187 119.029 -2.842 1
1 826 . 12 1 1 A 75 75 LYS H H 75 7.359 8.065 -0.706 1
1 827 . 12 1 1 A 75 75 LYS HA H 75 4.054 4.038 0.016 1
1 834 . 12 1 1 A 75 75 LYS C C 75 178.301 178.620 -0.319 1
1 835 . 12 1 1 A 75 75 LYS CA C 75 58.908 59.217 -0.309 1
1 836 . 12 1 1 A 75 75 LYS CB C 75 32.463 31.793 0.670 1
1 840 . 12 1 1 A 75 75 LYS N N 75 118.329 118.581 -0.252 1
1 841 . 12 1 1 A 76 76 GLU H H 76 7.769 7.827 -0.058 1
1 842 . 12 1 1 A 76 76 GLU HA H 76 4.051 4.017 0.034 1
1 847 . 12 1 1 A 76 76 GLU C C 76 178.261 179.061 -0.800 1
1 848 . 12 1 1 A 76 76 GLU CA C 76 58.200 59.059 -0.859 1
1 849 . 12 1 1 A 76 76 GLU CB C 76 29.841 29.241 0.600 1
1 851 . 12 1 1 A 76 76 GLU N N 76 119.947 119.099 0.848 1
1 852 . 12 1 1 A 77 77 ILE H H 77 7.826 7.841 -0.015 1
1 853 . 12 1 1 A 77 77 ILE HA H 77 3.856 3.794 0.062 1
1 863 . 12 1 1 A 77 77 ILE C C 77 177.794 177.653 0.141 1
1 864 . 12 1 1 A 77 77 ILE CA C 77 63.454 64.223 -0.769 1
1 865 . 12 1 1 A 77 77 ILE CB C 77 38.016 37.465 0.551 1
1 869 . 12 1 1 A 77 77 ILE N N 77 119.278 117.367 1.911 1
1 870 . 12 1 1 A 78 78 LYS H H 78 7.802 8.350 -0.548 1
1 871 . 12 1 1 A 78 78 LYS HA H 78 4.196 4.037 0.159 1
1 878 . 12 1 1 A 78 78 LYS C C 78 177.591 178.800 -1.209 1
1 879 . 12 1 1 A 78 78 LYS CA C 78 57.728 59.052 -1.324 1
1 880 . 12 1 1 A 78 78 LYS CB C 78 32.601 32.049 0.552 1
1 884 . 12 1 1 A 78 78 LYS N N 78 122.041 122.668 -0.627 1
1 885 . 12 1 1 A 79 79 ARG H H 79 8.053 8.087 -0.034 1
1 886 . 12 1 1 A 79 79 ARG HA H 79 4.196 4.016 0.180 1
1 891 . 12 1 1 A 79 79 ARG C C 79 177.448 178.778 -1.330 1
1 892 . 12 1 1 A 79 79 ARG CA C 79 57.639 59.327 -1.688 1
1 893 . 12 1 1 A 79 79 ARG CB C 79 30.531 29.980 0.551 1
1 896 . 12 1 1 A 79 79 ARG N N 79 120.496 119.535 0.961 1
1 897 . 12 1 1 A 80 80 ARG H H 80 8.083 7.946 0.137 1
1 898 . 12 1 1 A 80 80 ARG HA H 80 4.193 4.067 0.126 1
1 904 . 12 1 1 A 80 80 ARG C C 80 176.786 177.550 -0.764 1
1 905 . 12 1 1 A 80 80 ARG CA C 80 57.196 58.818 -1.622 1
1 906 . 12 1 1 A 80 80 ARG CB C 80 30.531 29.742 0.789 1
1 909 . 12 1 1 A 80 80 ARG N N 80 120.092 118.099 1.993 1
1 910 . 12 1 1 A 81 81 ALA H H 81 8.062 7.761 0.301 1
1 911 . 12 1 1 A 81 81 ALA HA H 81 4.256 4.212 0.044 1
1 915 . 12 1 1 A 81 81 ALA C C 81 178.013 177.916 0.097 1
1 916 . 12 1 1 A 81 81 ALA CA C 81 53.141 53.581 -0.440 1
1 917 . 12 1 1 A 81 81 ALA CB C 81 19.003 18.327 0.676 1
1 918 . 12 1 1 A 81 81 ALA N N 81 123.434 121.277 2.157 1
1 919 . 12 1 1 A 82 82 ASN H H 82 8.219 7.975 0.244 1
1 920 . 12 1 1 A 82 82 ASN HA H 82 4.661 4.900 -0.239 1
1 925 . 12 1 1 A 82 82 ASN C C 82 175.620 176.243 -0.623 1
1 926 . 12 1 1 A 82 82 ASN CA C 82 53.686 52.670 1.016 1
1 927 . 12 1 1 A 82 82 ASN CB C 82 38.672 38.603 0.069 1
1 928 . 12 1 1 A 82 82 ASN N N 82 117.551 116.136 1.415 1
1 930 . 12 1 1 A 83 83 ILE H H 83 7.949 7.411 0.538 1
1 931 . 12 1 1 A 83 83 ILE HA H 83 4.077 4.285 -0.208 1
1 941 . 12 1 1 A 83 83 ILE C C 83 176.291 174.879 1.412 1
1 942 . 12 1 1 A 83 83 ILE CA C 83 61.695 60.892 0.803 1
1 943 . 12 1 1 A 83 83 ILE CB C 83 38.672 36.120 2.552 1
1 947 . 12 1 1 A 83 83 ILE N N 83 120.666 119.440 1.226 1
1 948 . 12 1 1 A 84 84 ALA H H 84 8.184 8.065 0.119 1
1 949 . 12 1 1 A 84 84 ALA HA H 84 4.262 4.656 -0.394 1
1 953 . 12 1 1 A 84 84 ALA C C 84 177.794 175.458 2.336 1
1 954 . 12 1 1 A 84 84 ALA CA C 84 53.005 50.798 2.207 1
1 955 . 12 1 1 A 84 84 ALA CB C 84 18.941 19.447 -0.506 1
1 956 . 12 1 1 A 84 84 ALA N N 84 126.306 126.348 -0.042 1
1 957 . 12 1 1 A 85 85 ALA H H 85 8.019 8.701 -0.682 1
1 958 . 12 1 1 A 85 85 ALA HA H 85 4.263 4.603 -0.340 1
1 962 . 12 1 1 A 85 85 ALA C C 85 178.143 177.269 0.874 1
1 963 . 12 1 1 A 85 85 ALA CA C 85 52.857 51.286 1.571 1
1 964 . 12 1 1 A 85 85 ALA CB C 85 19.170 19.868 -0.698 1
1 965 . 12 1 1 A 85 85 ALA N N 85 122.320 124.886 -2.566 1
1 966 . 12 1 1 A 86 86 ILE H H 86 7.959 8.468 -0.509 1
1 967 . 12 1 1 A 86 86 ILE HA H 86 4.077 4.460 -0.383 1
1 977 . 12 1 1 A 86 86 ILE C C 86 176.697 176.279 0.418 1
1 978 . 12 1 1 A 86 86 ILE CA C 86 61.654 60.158 1.496 1
1 979 . 12 1 1 A 86 86 ILE CB C 86 38.603 38.240 0.363 1
1 983 . 12 1 1 A 86 86 ILE N N 86 119.762 125.686 -5.924 1
1 984 . 12 1 1 A 87 87 LEU H H 87 8.219 7.799 0.420 1
1 985 . 12 1 1 A 87 87 LEU HA H 87 4.340 4.396 -0.056 1
1 995 . 12 1 1 A 87 87 LEU C C 87 177.616 177.014 0.602 1
1 996 . 12 1 1 A 87 87 LEU CA C 87 55.425 55.699 -0.274 1
1 997 . 12 1 1 A 87 87 LEU CB C 87 42.328 43.400 -1.072 1
1 1001 . 12 1 1 A 87 87 LEU N N 87 125.404 121.329 4.075 1
1 1002 . 12 1 1 A 88 88 GLU H H 88 8.321 7.875 0.446 1
1 1003 . 12 1 1 A 88 88 GLU HA H 88 4.287 4.741 -0.454 1
1 1008 . 12 1 1 A 88 88 GLU C C 88 176.636 174.395 2.241 1
1 1009 . 12 1 1 A 88 88 GLU CA C 88 56.872 54.524 2.348 1
1 1010 . 12 1 1 A 88 88 GLU CB C 88 30.186 32.174 -1.988 1
1 1012 . 12 1 1 A 88 88 GLU N N 88 121.673 115.388 6.285 1
1 1013 . 12 1 1 A 89 89 SER H H 89 8.254 8.618 -0.364 1
1 1014 . 12 1 1 A 89 89 SER HA H 89 4.483 4.699 -0.216 1
1 1017 . 12 1 1 A 89 89 SER C C 89 174.693 173.394 1.299 1
1 1018 . 12 1 1 A 89 89 SER CA C 89 58.395 57.085 1.310 1
1 1019 . 12 1 1 A 89 89 SER CB C 89 64.017 63.236 0.781 1
1 1020 . 12 1 1 A 89 89 SER N N 89 116.276 117.614 -1.338 1
1 1021 . 12 1 1 A 90 90 SER H H 90 8.346 8.716 -0.370 1
1 1022 . 12 1 1 A 90 90 SER HA H 90 4.478 4.777 -0.299 1
1 1024 . 12 1 1 A 90 90 SER C C 90 174.564 174.473 0.091 1
1 1025 . 12 1 1 A 90 90 SER CA C 90 58.525 57.052 1.473 1
1 1026 . 12 1 1 A 90 90 SER CB C 90 64.129 65.488 -1.359 1
1 1027 . 12 1 1 A 90 90 SER N N 90 117.689 121.754 -4.065 1
1 1028 . 12 1 1 A 91 91 GLY H H 91 8.213 8.905 -0.692 1
1 1029 . 12 1 1 A 91 91 GLY HA2 H 91 4.112 3.871 0.241 1
1 1030 . 12 1 1 A 91 91 GLY HA3 H 91 4.112 3.872 0.240 1
1 1031 . 12 1 1 A 91 91 GLY C C 91 171.803 174.148 -2.345 1
1 1032 . 12 1 1 A 91 91 GLY CA C 91 44.743 46.809 -2.066 1
1 1033 . 12 1 1 A 91 91 GLY N N 91 110.570 117.637 -7.067 1
1 1034 . 12 1 1 A 92 92 PRO HA H 92 4.530 4.684 -0.154 1
1 1035 . 12 1 1 A 93 93 SER HA H 93 4.498 4.730 -0.232 1
1 1037 . 12 1 1 A 93 93 SER C C 93 173.981 174.456 -0.475 1
1 1038 . 12 1 1 A 93 93 SER CA C 93 57.378 58.022 -0.644 1
1 1039 . 12 1 1 A 93 93 SER CB C 93 58.505 62.687 -4.182 1
1 1040 . 12 1 1 A 94 94 SER H H 94 8.032 8.633 -0.601 1
1 1041 . 12 1 1 A 94 94 SER HA H 94 4.498 4.001 0.497 1
1 1043 . 12 1 1 A 94 94 SER C C 94 173.955 176.689 -2.734 1
1 1044 . 12 1 1 A 94 94 SER CA C 94 58.436 62.590 -4.154 1
1 1045 . 12 1 1 A 94 94 SER CB C 94 64.017 62.686 1.331 1
1 1046 . 12 1 1 A 94 94 SER N N 94 116.327 123.329 -7.002 1
1 1 . 13 1 1 A 11 11 ARG HA H 11 4.442 4.917 -0.475 1
1 6 . 13 1 1 A 11 11 ARG C C 11 175.365 174.974 0.391 1
1 7 . 13 1 1 A 11 11 ARG CA C 11 55.738 54.862 0.876 1
1 8 . 13 1 1 A 11 11 ARG CB C 11 31.419 31.035 0.384 1
1 11 . 13 1 1 A 12 12 PHE H H 12 8.430 8.731 -0.301 1
1 12 . 13 1 1 A 12 12 PHE HA H 12 4.481 5.132 -0.651 1
1 20 . 13 1 1 A 12 12 PHE C C 12 174.869 172.927 1.942 1
1 21 . 13 1 1 A 12 12 PHE CA C 12 58.525 57.038 1.487 1
1 22 . 13 1 1 A 12 12 PHE CB C 12 39.955 42.017 -2.062 1
1 28 . 13 1 1 A 12 12 PHE N N 12 123.637 126.675 -3.038 1
1 29 . 13 1 1 A 13 13 THR H H 13 7.543 8.662 -1.119 1
1 30 . 13 1 1 A 13 13 THR HA H 13 4.216 4.664 -0.448 1
1 35 . 13 1 1 A 13 13 THR C C 13 172.757 172.017 0.740 1
1 36 . 13 1 1 A 13 13 THR CA C 13 60.703 59.815 0.888 1
1 37 . 13 1 1 A 13 13 THR CB C 13 70.578 70.814 -0.236 1
1 39 . 13 1 1 A 13 13 THR N N 13 122.237 122.088 0.149 1
1 40 . 13 1 1 A 14 14 TRP H H 14 8.427 8.565 -0.138 1
1 41 . 13 1 1 A 14 14 TRP HA H 14 4.195 4.990 -0.795 1
1 50 . 13 1 1 A 14 14 TRP C C 14 177.225 175.943 1.282 1
1 51 . 13 1 1 A 14 14 TRP CA C 14 57.137 55.649 1.488 1
1 52 . 13 1 1 A 14 14 TRP CB C 14 29.919 31.288 -1.369 1
1 58 . 13 1 1 A 14 14 TRP N N 14 125.363 125.591 -0.228 1
1 60 . 13 1 1 A 15 15 ARG H H 15 8.790 9.193 -0.403 1
1 61 . 13 1 1 A 15 15 ARG HA H 15 4.436 4.500 -0.064 1
1 67 . 13 1 1 A 15 15 ARG C C 15 176.254 178.064 -1.810 1
1 68 . 13 1 1 A 15 15 ARG CA C 15 54.848 55.526 -0.678 1
1 69 . 13 1 1 A 15 15 ARG CB C 15 30.217 31.442 -1.225 1
1 72 . 13 1 1 A 15 15 ARG N N 15 124.453 123.614 0.839 1
1 73 . 13 1 1 A 16 16 LYS H H 16 7.990 8.822 -0.832 1
1 74 . 13 1 1 A 16 16 LYS HA H 16 3.949 3.981 -0.032 1
1 81 . 13 1 1 A 16 16 LYS C C 16 179.133 178.567 0.566 1
1 82 . 13 1 1 A 16 16 LYS CA C 16 60.206 59.550 0.656 1
1 83 . 13 1 1 A 16 16 LYS CB C 16 32.102 32.062 0.040 1
1 87 . 13 1 1 A 16 16 LYS N N 16 120.654 123.097 -2.443 1
1 88 . 13 1 1 A 17 17 GLU H H 17 10.775 8.171 2.604 1
1 89 . 13 1 1 A 17 17 GLU HA H 17 4.126 4.027 0.099 1
1 94 . 13 1 1 A 17 17 GLU C C 17 179.581 179.093 0.488 1
1 95 . 13 1 1 A 17 17 GLU CA C 17 60.262 59.434 0.828 1
1 96 . 13 1 1 A 17 17 GLU CB C 17 28.944 29.664 -0.720 1
1 98 . 13 1 1 A 17 17 GLU N N 17 119.914 119.915 -0.001 1
1 99 . 13 1 1 A 18 18 CYS H H 18 7.314 8.341 -1.027 1
1 100 . 13 1 1 A 18 18 CYS HA H 18 4.166 4.286 -0.120 1
1 103 . 13 1 1 A 18 18 CYS C C 18 176.250 177.457 -1.207 1
1 104 . 13 1 1 A 18 18 CYS CA C 18 61.093 63.045 -1.952 1
1 105 . 13 1 1 A 18 18 CYS CB C 18 27.636 27.047 0.589 1
1 106 . 13 1 1 A 18 18 CYS N N 18 115.339 118.962 -3.623 1
1 107 . 13 1 1 A 19 19 LEU H H 19 7.975 8.361 -0.386 1
1 108 . 13 1 1 A 19 19 LEU HA H 19 3.365 3.580 -0.215 1
1 118 . 13 1 1 A 19 19 LEU C C 19 178.119 178.617 -0.498 1
1 119 . 13 1 1 A 19 19 LEU CA C 19 58.084 57.710 0.374 1
1 120 . 13 1 1 A 19 19 LEU CB C 19 40.713 41.186 -0.473 1
1 124 . 13 1 1 A 19 19 LEU N N 19 120.346 122.946 -2.600 1
1 125 . 13 1 1 A 20 20 ALA H H 20 7.481 7.920 -0.439 1
1 126 . 13 1 1 A 20 20 ALA HA H 20 4.079 3.901 0.178 1
1 130 . 13 1 1 A 20 20 ALA C C 20 180.800 180.010 0.790 1
1 131 . 13 1 1 A 20 20 ALA CA C 20 55.172 55.304 -0.132 1
1 132 . 13 1 1 A 20 20 ALA CB C 20 17.975 17.950 0.025 1
1 133 . 13 1 1 A 20 20 ALA N N 20 119.101 121.839 -2.738 1
1 134 . 13 1 1 A 21 21 VAL H H 21 6.932 7.377 -0.445 1
1 135 . 13 1 1 A 21 21 VAL HA H 21 3.752 3.440 0.312 1
1 143 . 13 1 1 A 21 21 VAL C C 21 178.850 177.790 1.060 1
1 144 . 13 1 1 A 21 21 VAL CA C 21 66.018 67.452 -1.434 1
1 145 . 13 1 1 A 21 21 VAL CB C 21 32.168 31.547 0.621 1
1 148 . 13 1 1 A 21 21 VAL N N 21 118.965 117.802 1.163 1
1 149 . 13 1 1 A 22 22 MET H H 22 7.925 7.779 0.146 1
1 150 . 13 1 1 A 22 22 MET HA H 22 3.894 4.113 -0.219 1
1 158 . 13 1 1 A 22 22 MET C C 22 177.997 178.596 -0.599 1
1 159 . 13 1 1 A 22 22 MET CA C 22 60.060 58.927 1.133 1
1 160 . 13 1 1 A 22 22 MET CB C 22 30.494 31.802 -1.308 1
1 163 . 13 1 1 A 22 22 MET N N 22 118.668 116.945 1.723 1
1 164 . 13 1 1 A 23 23 GLU H H 23 8.452 7.715 0.737 1
1 165 . 13 1 1 A 23 23 GLU HA H 23 4.048 4.058 -0.010 1
1 170 . 13 1 1 A 23 23 GLU C C 23 178.809 178.835 -0.026 1
1 171 . 13 1 1 A 23 23 GLU CA C 23 59.676 59.264 0.412 1
1 172 . 13 1 1 A 23 23 GLU CB C 23 29.289 29.554 -0.265 1
1 174 . 13 1 1 A 23 23 GLU N N 23 118.239 118.930 -0.691 1
1 175 . 13 1 1 A 24 24 SER H H 24 7.431 7.600 -0.169 1
1 176 . 13 1 1 A 24 24 SER HA H 24 4.279 4.219 0.060 1
1 179 . 13 1 1 A 24 24 SER C C 24 177.916 177.225 0.691 1
1 180 . 13 1 1 A 24 24 SER CA C 24 61.785 61.763 0.022 1
1 181 . 13 1 1 A 24 24 SER CB C 24 62.616 63.287 -0.671 1
1 182 . 13 1 1 A 24 24 SER N N 24 113.792 116.009 -2.217 1
1 183 . 13 1 1 A 25 25 TYR H H 25 7.845 8.279 -0.434 1
1 184 . 13 1 1 A 25 25 TYR HA H 25 4.354 4.382 -0.028 1
1 191 . 13 1 1 A 25 25 TYR C C 25 178.789 178.937 -0.148 1
1 192 . 13 1 1 A 25 25 TYR CA C 25 63.193 60.819 2.374 1
1 193 . 13 1 1 A 25 25 TYR CB C 25 38.706 37.876 0.830 1
1 198 . 13 1 1 A 25 25 TYR N N 25 120.184 119.212 0.972 1
1 199 . 13 1 1 A 26 26 PHE H H 26 9.279 8.364 0.915 1
1 200 . 13 1 1 A 26 26 PHE HA H 26 4.237 4.683 -0.446 1
1 208 . 13 1 1 A 26 26 PHE C C 26 175.885 178.031 -2.146 1
1 209 . 13 1 1 A 26 26 PHE CA C 26 62.008 61.588 0.420 1
1 210 . 13 1 1 A 26 26 PHE CB C 26 39.072 39.069 0.003 1
1 216 . 13 1 1 A 26 26 PHE N N 26 123.634 120.593 3.041 1
1 217 . 13 1 1 A 27 27 ASN H H 27 7.807 8.186 -0.379 1
1 218 . 13 1 1 A 27 27 ASN HA H 27 4.409 4.448 -0.039 1
1 223 . 13 1 1 A 27 27 ASN C C 27 176.108 177.357 -1.249 1
1 224 . 13 1 1 A 27 27 ASN CA C 27 55.307 56.434 -1.127 1
1 225 . 13 1 1 A 27 27 ASN CB C 27 38.810 37.926 0.884 1
1 226 . 13 1 1 A 27 27 ASN N N 27 112.896 117.499 -4.603 1
1 228 . 13 1 1 A 28 28 GLU H H 28 7.431 7.947 -0.516 1
1 229 . 13 1 1 A 28 28 GLU HA H 28 4.274 4.271 0.003 1
1 234 . 13 1 1 A 28 28 GLU C C 28 176.880 176.388 0.492 1
1 235 . 13 1 1 A 28 28 GLU CA C 28 57.875 57.994 -0.119 1
1 236 . 13 1 1 A 28 28 GLU CB C 28 30.965 29.645 1.320 1
1 238 . 13 1 1 A 28 28 GLU N N 28 117.899 114.770 3.129 1
1 239 . 13 1 1 A 29 29 ASN H H 29 7.950 8.103 -0.153 1
1 240 . 13 1 1 A 29 29 ASN HA H 29 4.562 4.916 -0.354 1
1 245 . 13 1 1 A 29 29 ASN C C 29 174.036 175.130 -1.094 1
1 246 . 13 1 1 A 29 29 ASN CA C 29 53.654 52.909 0.745 1
1 247 . 13 1 1 A 29 29 ASN CB C 29 39.361 40.580 -1.219 1
1 248 . 13 1 1 A 29 29 ASN N N 29 116.656 117.338 -0.682 1
1 250 . 13 1 1 A 30 30 GLN H H 30 8.658 8.302 0.356 1
1 251 . 13 1 1 A 30 30 GLN HA H 30 3.848 3.203 0.645 1
1 258 . 13 1 1 A 30 30 GLN C C 30 174.503 175.755 -1.252 1
1 259 . 13 1 1 A 30 30 GLN CA C 30 57.336 58.531 -1.195 1
1 260 . 13 1 1 A 30 30 GLN CB C 30 27.978 28.950 -0.972 1
1 262 . 13 1 1 A 30 30 GLN N N 30 122.486 123.342 -0.856 1
1 264 . 13 1 1 A 31 31 TYR H H 31 8.181 7.902 0.279 1
1 265 . 13 1 1 A 31 31 TYR HA H 31 4.769 5.240 -0.471 1
1 272 . 13 1 1 A 31 31 TYR C C 31 172.816 173.503 -0.687 1
1 273 . 13 1 1 A 31 31 TYR CA C 31 55.409 54.632 0.777 1
1 274 . 13 1 1 A 31 31 TYR CB C 31 38.938 38.937 0.001 1
1 279 . 13 1 1 A 31 31 TYR N N 31 116.012 117.035 -1.023 1
1 280 . 13 1 1 A 32 32 PRO HA H 32 4.320 4.573 -0.253 1
1 287 . 13 1 1 A 32 32 PRO C C 32 177.530 176.867 0.663 1
1 288 . 13 1 1 A 32 32 PRO CA C 32 63.041 62.795 0.246 1
1 289 . 13 1 1 A 32 32 PRO CB C 32 31.052 31.892 -0.840 1
1 292 . 13 1 1 A 33 33 ASP H H 33 8.439 8.437 0.002 1
1 293 . 13 1 1 A 33 33 ASP HA H 33 4.475 4.735 -0.260 1
1 296 . 13 1 1 A 33 33 ASP C C 33 175.397 177.231 -1.834 1
1 297 . 13 1 1 A 33 33 ASP CA C 33 52.562 53.413 -0.851 1
1 298 . 13 1 1 A 33 33 ASP CB C 33 40.363 41.814 -1.451 1
1 299 . 13 1 1 A 33 33 ASP N N 33 125.278 120.967 4.311 1
1 300 . 13 1 1 A 34 34 GLU H H 34 8.644 8.809 -0.165 1
1 301 . 13 1 1 A 34 34 GLU HA H 34 3.613 3.964 -0.351 1
1 306 . 13 1 1 A 34 34 GLU C C 34 178.261 178.630 -0.369 1
1 307 . 13 1 1 A 34 34 GLU CA C 34 61.565 59.409 2.156 1
1 308 . 13 1 1 A 34 34 GLU CB C 34 29.289 29.271 0.018 1
1 310 . 13 1 1 A 34 34 GLU N N 34 118.756 118.647 0.109 1
1 311 . 13 1 1 A 35 35 ALA H H 35 8.121 8.056 0.065 1
1 312 . 13 1 1 A 35 35 ALA HA H 35 4.155 4.040 0.115 1
1 316 . 13 1 1 A 35 35 ALA C C 35 181.307 179.395 1.912 1
1 317 . 13 1 1 A 35 35 ALA CA C 35 54.953 55.043 -0.090 1
1 318 . 13 1 1 A 35 35 ALA CB C 35 17.975 18.381 -0.406 1
1 319 . 13 1 1 A 35 35 ALA N N 35 121.196 122.725 -1.529 1
1 320 . 13 1 1 A 36 36 LYS H H 36 8.448 7.623 0.825 1
1 321 . 13 1 1 A 36 36 LYS HA H 36 4.157 3.990 0.167 1
1 330 . 13 1 1 A 36 36 LYS C C 36 178.769 178.725 0.044 1
1 331 . 13 1 1 A 36 36 LYS CA C 36 56.576 59.680 -3.104 1
1 332 . 13 1 1 A 36 36 LYS CB C 36 29.689 32.232 -2.543 1
1 336 . 13 1 1 A 36 36 LYS N N 36 121.690 118.289 3.401 1
1 337 . 13 1 1 A 37 37 ARG H H 37 8.977 8.104 0.873 1
1 338 . 13 1 1 A 37 37 ARG HA H 37 3.711 3.908 -0.197 1
1 345 . 13 1 1 A 37 37 ARG C C 37 178.444 178.912 -0.468 1
1 346 . 13 1 1 A 37 37 ARG CA C 37 61.131 59.319 1.812 1
1 347 . 13 1 1 A 37 37 ARG CB C 37 30.941 29.703 1.238 1
1 350 . 13 1 1 A 37 37 ARG N N 37 117.588 118.723 -1.135 1
1 351 . 13 1 1 A 38 38 GLU H H 38 7.750 7.957 -0.207 1
1 352 . 13 1 1 A 38 38 GLU HA H 38 4.083 4.149 -0.066 1
1 357 . 13 1 1 A 38 38 GLU C C 38 178.301 179.329 -1.028 1
1 358 . 13 1 1 A 38 38 GLU CA C 38 59.321 58.075 1.246 1
1 359 . 13 1 1 A 38 38 GLU CB C 38 29.013 29.488 -0.475 1
1 361 . 13 1 1 A 38 38 GLU N N 38 119.080 119.600 -0.520 1
1 362 . 13 1 1 A 39 39 GLU H H 39 7.540 8.038 -0.498 1
1 363 . 13 1 1 A 39 39 GLU HA H 39 4.048 4.044 0.004 1
1 368 . 13 1 1 A 39 39 GLU C C 39 179.784 178.659 1.125 1
1 369 . 13 1 1 A 39 39 GLU CA C 39 59.646 59.131 0.515 1
1 370 . 13 1 1 A 39 39 GLU CB C 39 29.409 29.701 -0.292 1
1 372 . 13 1 1 A 39 39 GLU N N 39 121.188 119.525 1.663 1
1 373 . 13 1 1 A 40 40 ILE H H 40 8.634 7.804 0.830 1
1 374 . 13 1 1 A 40 40 ILE HA H 40 3.133 3.392 -0.259 1
1 384 . 13 1 1 A 40 40 ILE C C 40 178.119 177.527 0.592 1
1 385 . 13 1 1 A 40 40 ILE CA C 40 65.462 63.219 2.243 1
1 386 . 13 1 1 A 40 40 ILE CB C 40 37.951 36.599 1.352 1
1 390 . 13 1 1 A 40 40 ILE N N 40 121.126 120.071 1.055 1
1 391 . 13 1 1 A 41 41 ALA H H 41 8.462 8.321 0.141 1
1 392 . 13 1 1 A 41 41 ALA HA H 41 3.713 4.023 -0.310 1
1 396 . 13 1 1 A 41 41 ALA C C 41 178.850 180.621 -1.771 1
1 397 . 13 1 1 A 41 41 ALA CA C 41 56.014 55.365 0.649 1
1 398 . 13 1 1 A 41 41 ALA CB C 41 16.779 17.981 -1.202 1
1 399 . 13 1 1 A 41 41 ALA N N 41 123.029 123.432 -0.403 1
1 400 . 13 1 1 A 42 42 ASN H H 42 8.264 8.737 -0.473 1
1 401 . 13 1 1 A 42 42 ASN HA H 42 4.521 4.405 0.116 1
1 406 . 13 1 1 A 42 42 ASN C C 42 178.220 177.475 0.745 1
1 407 . 13 1 1 A 42 42 ASN CA C 42 56.193 55.629 0.564 1
1 408 . 13 1 1 A 42 42 ASN CB C 42 37.775 37.763 0.012 1
1 409 . 13 1 1 A 42 42 ASN N N 42 115.462 118.459 -2.997 1
1 411 . 13 1 1 A 43 43 ALA H H 43 8.403 7.696 0.707 1
1 412 . 13 1 1 A 43 43 ALA HA H 43 4.273 4.079 0.194 1
1 416 . 13 1 1 A 43 43 ALA C C 43 180.962 180.108 0.854 1
1 417 . 13 1 1 A 43 43 ALA CA C 43 55.200 55.114 0.086 1
1 418 . 13 1 1 A 43 43 ALA CB C 43 18.478 17.903 0.575 1
1 419 . 13 1 1 A 43 43 ALA N N 43 125.139 122.686 2.453 1
1 420 . 13 1 1 A 44 44 CYS H H 44 8.457 7.779 0.678 1
1 421 . 13 1 1 A 44 44 CYS HA H 44 4.156 4.134 0.022 1
1 424 . 13 1 1 A 44 44 CYS C C 44 176.534 177.375 -0.841 1
1 425 . 13 1 1 A 44 44 CYS CA C 44 64.768 63.693 1.075 1
1 426 . 13 1 1 A 44 44 CYS CB C 44 27.644 27.098 0.546 1
1 427 . 13 1 1 A 44 44 CYS N N 44 116.609 116.288 0.321 1
1 428 . 13 1 1 A 45 45 ASN H H 45 8.346 7.893 0.453 1
1 429 . 13 1 1 A 45 45 ASN HA H 45 4.613 4.513 0.100 1
1 434 . 13 1 1 A 45 45 ASN C C 45 177.631 177.640 -0.009 1
1 435 . 13 1 1 A 45 45 ASN CA C 45 55.723 56.111 -0.388 1
1 436 . 13 1 1 A 45 45 ASN CB C 45 37.526 37.987 -0.461 1
1 437 . 13 1 1 A 45 45 ASN N N 45 117.491 118.625 -1.134 1
1 439 . 13 1 1 A 46 46 ALA H H 46 8.014 7.677 0.337 1
1 440 . 13 1 1 A 46 46 ALA HA H 46 4.200 4.051 0.149 1
1 444 . 13 1 1 A 46 46 ALA C C 46 180.292 179.588 0.704 1
1 445 . 13 1 1 A 46 46 ALA CA C 46 54.805 55.090 -0.285 1
1 446 . 13 1 1 A 46 46 ALA CB C 46 18.283 18.319 -0.036 1
1 447 . 13 1 1 A 46 46 ALA N N 46 120.198 123.384 -3.186 1
1 448 . 13 1 1 A 47 47 VAL H H 47 7.240 8.018 -0.778 1
1 449 . 13 1 1 A 47 47 VAL HA H 47 4.306 3.814 0.492 1
1 457 . 13 1 1 A 47 47 VAL C C 47 177.083 176.777 0.306 1
1 458 . 13 1 1 A 47 47 VAL CA C 47 63.484 65.211 -1.727 1
1 459 . 13 1 1 A 47 47 VAL CB C 47 31.935 31.500 0.435 1
1 462 . 13 1 1 A 47 47 VAL N N 47 110.165 116.383 -6.218 1
1 463 . 13 1 1 A 48 48 ILE H H 48 7.146 7.600 -0.454 1
1 464 . 13 1 1 A 48 48 ILE HA H 48 4.473 4.576 -0.103 1
1 474 . 13 1 1 A 48 48 ILE C C 48 175.966 176.004 -0.038 1
1 475 . 13 1 1 A 48 48 ILE CA C 48 62.055 61.411 0.644 1
1 476 . 13 1 1 A 48 48 ILE CB C 48 39.444 39.050 0.394 1
1 480 . 13 1 1 A 48 48 ILE N N 48 112.085 116.409 -4.324 1
1 481 . 13 1 1 A 49 49 GLN H H 49 7.671 7.776 -0.105 1
1 482 . 13 1 1 A 49 49 GLN HA H 49 4.254 4.137 0.117 1
1 489 . 13 1 1 A 49 49 GLN C C 49 175.417 175.248 0.169 1
1 490 . 13 1 1 A 49 49 GLN CA C 49 56.370 56.176 0.194 1
1 491 . 13 1 1 A 49 49 GLN CB C 49 29.289 29.037 0.252 1
1 493 . 13 1 1 A 49 49 GLN N N 49 123.076 123.436 -0.360 1
1 495 . 13 1 1 A 50 50 LYS H H 50 8.932 8.614 0.318 1
1 496 . 13 1 1 A 50 50 LYS HA H 50 4.760 4.753 0.007 1
1 502 . 13 1 1 A 50 50 LYS C C 50 174.497 174.075 0.422 1
1 503 . 13 1 1 A 50 50 LYS CA C 50 53.341 53.085 0.256 1
1 504 . 13 1 1 A 50 50 LYS CB C 50 32.860 33.392 -0.532 1
1 506 . 13 1 1 A 50 50 LYS N N 50 127.505 126.866 0.639 1
1 507 . 13 1 1 A 51 51 PRO HA H 51 4.328 4.299 0.029 1
1 514 . 13 1 1 A 51 51 PRO CA C 51 64.015 63.727 0.288 1
1 515 . 13 1 1 A 51 51 PRO CB C 51 31.590 31.279 0.311 1
1 518 . 13 1 1 A 52 52 GLY H H 52 8.752 8.781 -0.029 1
1 519 . 13 1 1 A 52 52 GLY HA2 H 52 4.113 3.973 0.140 1
1 520 . 13 1 1 A 52 52 GLY HA3 H 52 3.728 3.973 -0.245 1
1 521 . 13 1 1 A 52 52 GLY C C 52 173.732 173.347 0.385 1
1 522 . 13 1 1 A 52 52 GLY CA C 52 45.646 45.666 -0.020 1
1 523 . 13 1 1 A 53 53 LYS H H 53 7.734 7.549 0.185 1
1 524 . 13 1 1 A 53 53 LYS HA H 53 4.621 4.902 -0.281 1
1 531 . 13 1 1 A 53 53 LYS C C 53 175.681 174.411 1.270 1
1 532 . 13 1 1 A 53 53 LYS CA C 53 54.451 54.150 0.301 1
1 533 . 13 1 1 A 53 53 LYS CB C 53 34.466 35.928 -1.462 1
1 537 . 13 1 1 A 53 53 LYS N N 53 120.205 120.001 0.204 1
1 538 . 13 1 1 A 54 54 LYS H H 54 8.536 8.829 -0.293 1
1 539 . 13 1 1 A 54 54 LYS HA H 54 4.412 5.015 -0.603 1
1 546 . 13 1 1 A 54 54 LYS C C 54 177.022 175.837 1.185 1
1 547 . 13 1 1 A 54 54 LYS CA C 54 55.691 54.461 1.230 1
1 548 . 13 1 1 A 54 54 LYS CB C 54 33.453 35.312 -1.859 1
1 552 . 13 1 1 A 54 54 LYS N N 54 124.424 124.226 0.198 1
1 553 . 13 1 1 A 55 55 LEU H H 55 8.656 8.765 -0.109 1
1 554 . 13 1 1 A 55 55 LEU HA H 55 4.407 4.265 0.142 1
1 564 . 13 1 1 A 55 55 LEU C C 55 177.448 176.399 1.049 1
1 565 . 13 1 1 A 55 55 LEU CA C 55 54.670 55.025 -0.355 1
1 566 . 13 1 1 A 55 55 LEU CB C 55 43.243 42.213 1.030 1
1 570 . 13 1 1 A 55 55 LEU N N 55 126.145 128.019 -1.874 1
1 571 . 13 1 1 A 56 56 SER H H 56 9.313 8.828 0.485 1
1 572 . 13 1 1 A 56 56 SER HA H 56 4.496 4.737 -0.241 1
1 575 . 13 1 1 A 56 56 SER C C 56 175.226 175.291 -0.065 1
1 576 . 13 1 1 A 56 56 SER CA C 56 57.507 57.133 0.374 1
1 577 . 13 1 1 A 56 56 SER CB C 56 64.802 65.724 -0.922 1
1 578 . 13 1 1 A 56 56 SER N N 56 121.790 118.109 3.681 1
1 579 . 13 1 1 A 57 57 ASP H H 57 8.929 9.085 -0.156 1
1 580 . 13 1 1 A 57 57 ASP HA H 57 4.314 4.348 -0.034 1
1 583 . 13 1 1 A 57 57 ASP C C 57 177.855 178.647 -0.792 1
1 584 . 13 1 1 A 57 57 ASP CA C 57 57.403 56.626 0.777 1
1 585 . 13 1 1 A 57 57 ASP CB C 57 40.353 39.977 0.376 1
1 586 . 13 1 1 A 58 58 LEU H H 58 7.824 7.873 -0.049 1
1 587 . 13 1 1 A 58 58 LEU HA H 58 4.194 4.109 0.085 1
1 597 . 13 1 1 A 58 58 LEU C C 58 177.509 178.513 -1.004 1
1 598 . 13 1 1 A 58 58 LEU CA C 58 56.754 57.666 -0.912 1
1 599 . 13 1 1 A 58 58 LEU CB C 58 42.259 41.680 0.579 1
1 603 . 13 1 1 A 58 58 LEU N N 58 117.552 120.791 -3.239 1
1 604 . 13 1 1 A 59 59 GLU H H 59 7.325 7.503 -0.178 1
1 605 . 13 1 1 A 59 59 GLU HA H 59 4.286 4.448 -0.162 1
1 610 . 13 1 1 A 59 59 GLU C C 59 175.661 176.319 -0.658 1
1 611 . 13 1 1 A 59 59 GLU CA C 59 56.370 55.866 0.504 1
1 612 . 13 1 1 A 59 59 GLU CB C 59 32.314 30.500 1.814 1
1 614 . 13 1 1 A 59 59 GLU N N 59 115.631 116.160 -0.529 1
1 615 . 13 1 1 A 60 60 ARG H H 60 7.408 7.719 -0.311 1
1 616 . 13 1 1 A 60 60 ARG HA H 60 3.948 4.721 -0.773 1
1 623 . 13 1 1 A 60 60 ARG C C 60 175.194 175.238 -0.044 1
1 624 . 13 1 1 A 60 60 ARG CA C 60 57.167 56.245 0.922 1
1 625 . 13 1 1 A 60 60 ARG CB C 60 31.083 30.739 0.344 1
1 628 . 13 1 1 A 60 60 ARG N N 60 118.018 123.184 -5.166 1
1 629 . 13 1 1 A 61 61 VAL H H 61 10.175 9.254 0.921 1
1 630 . 13 1 1 A 61 61 VAL HA H 61 3.462 4.470 -1.008 1
1 638 . 13 1 1 A 61 61 VAL C C 61 175.681 176.131 -0.450 1
1 639 . 13 1 1 A 61 61 VAL CA C 61 65.077 61.386 3.691 1
1 640 . 13 1 1 A 61 61 VAL CB C 61 31.702 32.438 -0.736 1
1 643 . 13 1 1 A 61 61 VAL N N 61 128.658 126.443 2.215 1
1 644 . 13 1 1 A 62 62 THR H H 62 6.270 8.662 -2.392 1
1 645 . 13 1 1 A 62 62 THR HA H 62 4.780 4.793 -0.013 1
1 650 . 13 1 1 A 62 62 THR C C 62 175.064 176.229 -1.165 1
1 651 . 13 1 1 A 62 62 THR CA C 62 58.600 60.166 -1.566 1
1 652 . 13 1 1 A 62 62 THR CB C 62 72.355 71.773 0.582 1
1 654 . 13 1 1 A 62 62 THR N N 62 114.178 120.025 -5.847 1
1 655 . 13 1 1 A 63 63 SER HA H 63 3.869 4.142 -0.273 1
1 658 . 13 1 1 A 63 63 SER C C 63 176.656 176.722 -0.066 1
1 659 . 13 1 1 A 63 63 SER CA C 63 61.433 61.852 -0.419 1
1 660 . 13 1 1 A 63 63 SER CB C 63 62.197 62.368 -0.171 1
1 661 . 13 1 1 A 64 64 LEU H H 64 8.062 7.714 0.348 1
1 662 . 13 1 1 A 64 64 LEU HA H 64 4.367 4.195 0.172 1
1 672 . 13 1 1 A 64 64 LEU C C 64 178.789 179.156 -0.367 1
1 673 . 13 1 1 A 64 64 LEU CA C 64 57.964 57.840 0.124 1
1 674 . 13 1 1 A 64 64 LEU CB C 64 42.052 41.687 0.365 1
1 678 . 13 1 1 A 64 64 LEU N N 64 123.294 125.401 -2.107 1
1 679 . 13 1 1 A 65 65 LYS H H 65 7.524 7.714 -0.190 1
1 680 . 13 1 1 A 65 65 LYS HA H 65 4.292 4.094 0.198 1
1 689 . 13 1 1 A 65 65 LYS C C 65 180.779 179.786 0.993 1
1 690 . 13 1 1 A 65 65 LYS CA C 65 60.266 59.852 0.414 1
1 691 . 13 1 1 A 65 65 LYS CB C 65 32.808 32.541 0.267 1
1 695 . 13 1 1 A 65 65 LYS N N 65 119.262 119.039 0.223 1
1 696 . 13 1 1 A 66 66 VAL H H 66 8.290 7.813 0.477 1
1 697 . 13 1 1 A 66 66 VAL HA H 66 4.075 3.853 0.222 1
1 705 . 13 1 1 A 66 66 VAL C C 66 177.509 177.818 -0.309 1
1 706 . 13 1 1 A 66 66 VAL CA C 66 66.963 66.470 0.493 1
1 707 . 13 1 1 A 66 66 VAL CB C 66 32.419 31.783 0.636 1
1 710 . 13 1 1 A 66 66 VAL N N 66 119.900 120.354 -0.454 1
1 711 . 13 1 1 A 67 67 TYR H H 67 8.893 8.329 0.564 1
1 712 . 13 1 1 A 67 67 TYR HA H 67 3.857 4.199 -0.342 1
1 719 . 13 1 1 A 67 67 TYR C C 67 177.956 178.108 -0.152 1
1 720 . 13 1 1 A 67 67 TYR CA C 67 62.897 61.636 1.261 1
1 721 . 13 1 1 A 67 67 TYR CB C 67 38.326 38.656 -0.330 1
1 726 . 13 1 1 A 67 67 TYR N N 67 120.861 121.302 -0.441 1
1 727 . 13 1 1 A 68 68 ASN H H 68 8.561 8.201 0.360 1
1 728 . 13 1 1 A 68 68 ASN HA H 68 4.545 4.421 0.124 1
1 733 . 13 1 1 A 68 68 ASN C C 68 177.570 178.194 -0.624 1
1 734 . 13 1 1 A 68 68 ASN CA C 68 56.222 56.576 -0.354 1
1 735 . 13 1 1 A 68 68 ASN CB C 68 38.465 38.346 0.119 1
1 736 . 13 1 1 A 68 68 ASN N N 68 117.386 117.322 0.064 1
1 738 . 13 1 1 A 69 69 TRP H H 69 8.655 8.254 0.401 1
1 739 . 13 1 1 A 69 69 TRP HA H 69 4.151 4.304 -0.153 1
1 748 . 13 1 1 A 69 69 TRP C C 69 179.764 178.244 1.520 1
1 749 . 13 1 1 A 69 69 TRP CA C 69 63.194 61.518 1.676 1
1 750 . 13 1 1 A 69 69 TRP CB C 69 29.720 29.347 0.373 1
1 756 . 13 1 1 A 69 69 TRP N N 69 123.454 122.987 0.467 1
1 758 . 13 1 1 A 70 70 PHE H H 70 9.166 8.566 0.600 1
1 759 . 13 1 1 A 70 70 PHE HA H 70 3.745 4.422 -0.677 1
1 767 . 13 1 1 A 70 70 PHE C C 70 177.469 178.685 -1.216 1
1 768 . 13 1 1 A 70 70 PHE CA C 70 62.862 61.928 0.934 1
1 769 . 13 1 1 A 70 70 PHE CB C 70 39.115 38.030 1.085 1
1 775 . 13 1 1 A 70 70 PHE N N 70 120.259 118.350 1.909 1
1 776 . 13 1 1 A 71 71 ALA H H 71 8.169 8.820 -0.651 1
1 777 . 13 1 1 A 71 71 ALA HA H 71 3.868 4.150 -0.282 1
1 781 . 13 1 1 A 71 71 ALA C C 71 180.698 179.197 1.501 1
1 782 . 13 1 1 A 71 71 ALA CA C 71 55.307 54.986 0.321 1
1 783 . 13 1 1 A 71 71 ALA CB C 71 17.697 17.965 -0.268 1
1 784 . 13 1 1 A 71 71 ALA N N 71 120.051 122.667 -2.616 1
1 785 . 13 1 1 A 72 72 ASN H H 72 7.789 7.690 0.099 1
1 786 . 13 1 1 A 72 72 ASN HA H 72 4.280 4.433 -0.153 1
1 791 . 13 1 1 A 72 72 ASN C C 72 177.022 177.767 -0.745 1
1 792 . 13 1 1 A 72 72 ASN CA C 72 56.222 55.520 0.702 1
1 793 . 13 1 1 A 72 72 ASN CB C 72 38.363 38.388 -0.025 1
1 794 . 13 1 1 A 72 72 ASN N N 72 116.515 116.500 0.015 1
1 796 . 13 1 1 A 73 73 ARG H H 73 7.999 7.625 0.374 1
1 797 . 13 1 1 A 73 73 ARG HA H 73 3.416 3.584 -0.168 1
1 805 . 13 1 1 A 73 73 ARG C C 73 178.708 178.626 0.082 1
1 806 . 13 1 1 A 73 73 ARG CA C 73 57.403 59.025 -1.622 1
1 807 . 13 1 1 A 73 73 ARG CB C 73 28.264 29.041 -0.777 1
1 810 . 13 1 1 A 73 73 ARG N N 73 123.203 120.422 2.781 1
1 812 . 13 1 1 A 74 74 ARG H H 74 8.033 7.831 0.202 1
1 813 . 13 1 1 A 74 74 ARG HA H 74 4.017 4.165 -0.148 1
1 820 . 13 1 1 A 74 74 ARG C C 74 178.850 179.064 -0.214 1
1 821 . 13 1 1 A 74 74 ARG CA C 74 60.414 59.219 1.195 1
1 822 . 13 1 1 A 74 74 ARG CB C 74 31.221 30.046 1.175 1
1 825 . 13 1 1 A 74 74 ARG N N 74 116.187 118.653 -2.466 1
1 826 . 13 1 1 A 75 75 LYS H H 75 7.359 7.704 -0.345 1
1 827 . 13 1 1 A 75 75 LYS HA H 75 4.054 4.041 0.013 1
1 834 . 13 1 1 A 75 75 LYS C C 75 178.301 178.776 -0.475 1
1 835 . 13 1 1 A 75 75 LYS CA C 75 58.908 59.247 -0.339 1
1 836 . 13 1 1 A 75 75 LYS CB C 75 32.463 31.845 0.618 1
1 840 . 13 1 1 A 75 75 LYS N N 75 118.329 118.720 -0.391 1
1 841 . 13 1 1 A 76 76 GLU H H 76 7.769 7.656 0.113 1
1 842 . 13 1 1 A 76 76 GLU HA H 76 4.051 4.020 0.031 1
1 847 . 13 1 1 A 76 76 GLU C C 76 178.261 179.318 -1.057 1
1 848 . 13 1 1 A 76 76 GLU CA C 76 58.200 58.985 -0.785 1
1 849 . 13 1 1 A 76 76 GLU CB C 76 29.841 29.543 0.298 1
1 851 . 13 1 1 A 76 76 GLU N N 76 119.947 119.105 0.842 1
1 852 . 13 1 1 A 77 77 ILE H H 77 7.826 7.820 0.006 1
1 853 . 13 1 1 A 77 77 ILE HA H 77 3.856 3.794 0.062 1
1 863 . 13 1 1 A 77 77 ILE C C 77 177.794 177.710 0.084 1
1 864 . 13 1 1 A 77 77 ILE CA C 77 63.454 64.151 -0.697 1
1 865 . 13 1 1 A 77 77 ILE CB C 77 38.016 37.470 0.546 1
1 869 . 13 1 1 A 77 77 ILE N N 77 119.278 117.674 1.604 1
1 870 . 13 1 1 A 78 78 LYS H H 78 7.802 8.166 -0.364 1
1 871 . 13 1 1 A 78 78 LYS HA H 78 4.196 4.027 0.169 1
1 878 . 13 1 1 A 78 78 LYS C C 78 177.591 178.997 -1.406 1
1 879 . 13 1 1 A 78 78 LYS CA C 78 57.728 59.032 -1.304 1
1 880 . 13 1 1 A 78 78 LYS CB C 78 32.601 31.991 0.610 1
1 884 . 13 1 1 A 78 78 LYS N N 78 122.041 122.388 -0.347 1
1 885 . 13 1 1 A 79 79 ARG H H 79 8.053 8.093 -0.040 1
1 886 . 13 1 1 A 79 79 ARG HA H 79 4.196 4.000 0.196 1
1 891 . 13 1 1 A 79 79 ARG C C 79 177.448 178.500 -1.052 1
1 892 . 13 1 1 A 79 79 ARG CA C 79 57.639 59.416 -1.777 1
1 893 . 13 1 1 A 79 79 ARG CB C 79 30.531 29.635 0.896 1
1 896 . 13 1 1 A 79 79 ARG N N 79 120.496 119.520 0.976 1
1 897 . 13 1 1 A 80 80 ARG H H 80 8.083 7.730 0.353 1
1 898 . 13 1 1 A 80 80 ARG HA H 80 4.193 4.082 0.111 1
1 904 . 13 1 1 A 80 80 ARG C C 80 176.786 178.438 -1.652 1
1 905 . 13 1 1 A 80 80 ARG CA C 80 57.196 58.666 -1.470 1
1 906 . 13 1 1 A 80 80 ARG CB C 80 30.531 29.901 0.630 1
1 909 . 13 1 1 A 80 80 ARG N N 80 120.092 119.450 0.642 1
1 910 . 13 1 1 A 81 81 ALA H H 81 8.062 7.682 0.380 1
1 911 . 13 1 1 A 81 81 ALA HA H 81 4.256 4.127 0.129 1
1 915 . 13 1 1 A 81 81 ALA C C 81 178.013 179.624 -1.611 1
1 916 . 13 1 1 A 81 81 ALA CA C 81 53.141 53.771 -0.630 1
1 917 . 13 1 1 A 81 81 ALA CB C 81 19.003 18.424 0.579 1
1 918 . 13 1 1 A 81 81 ALA N N 81 123.434 121.386 2.048 1
1 919 . 13 1 1 A 82 82 ASN H H 82 8.219 7.552 0.667 1
1 920 . 13 1 1 A 82 82 ASN HA H 82 4.661 4.504 0.157 1
1 925 . 13 1 1 A 82 82 ASN C C 82 175.620 176.599 -0.979 1
1 926 . 13 1 1 A 82 82 ASN CA C 82 53.686 55.175 -1.489 1
1 927 . 13 1 1 A 82 82 ASN CB C 82 38.672 38.574 0.098 1
1 928 . 13 1 1 A 82 82 ASN N N 82 117.551 116.689 0.862 1
1 930 . 13 1 1 A 83 83 ILE H H 83 7.949 7.652 0.297 1
1 931 . 13 1 1 A 83 83 ILE HA H 83 4.077 4.327 -0.250 1
1 941 . 13 1 1 A 83 83 ILE C C 83 176.291 175.491 0.800 1
1 942 . 13 1 1 A 83 83 ILE CA C 83 61.695 60.802 0.893 1
1 943 . 13 1 1 A 83 83 ILE CB C 83 38.672 36.678 1.994 1
1 947 . 13 1 1 A 83 83 ILE N N 83 120.666 116.353 4.313 1
1 948 . 13 1 1 A 84 84 ALA H H 84 8.184 7.449 0.735 1
1 949 . 13 1 1 A 84 84 ALA HA H 84 4.262 4.365 -0.103 1
1 953 . 13 1 1 A 84 84 ALA C C 84 177.794 175.890 1.904 1
1 954 . 13 1 1 A 84 84 ALA CA C 84 53.005 51.819 1.186 1
1 955 . 13 1 1 A 84 84 ALA CB C 84 18.941 17.419 1.522 1
1 956 . 13 1 1 A 84 84 ALA N N 84 126.306 126.614 -0.308 1
1 957 . 13 1 1 A 85 85 ALA H H 85 8.019 8.026 -0.007 1
1 958 . 13 1 1 A 85 85 ALA HA H 85 4.263 4.806 -0.543 1
1 962 . 13 1 1 A 85 85 ALA C C 85 178.143 178.062 0.081 1
1 963 . 13 1 1 A 85 85 ALA CA C 85 52.857 50.087 2.770 1
1 964 . 13 1 1 A 85 85 ALA CB C 85 19.170 21.881 -2.711 1
1 965 . 13 1 1 A 85 85 ALA N N 85 122.320 122.471 -0.151 1
1 966 . 13 1 1 A 86 86 ILE H H 86 7.959 8.846 -0.887 1
1 967 . 13 1 1 A 86 86 ILE HA H 86 4.077 4.328 -0.251 1
1 977 . 13 1 1 A 86 86 ILE C C 86 176.697 175.213 1.484 1
1 978 . 13 1 1 A 86 86 ILE CA C 86 61.654 61.001 0.653 1
1 979 . 13 1 1 A 86 86 ILE CB C 86 38.603 37.233 1.370 1
1 983 . 13 1 1 A 86 86 ILE N N 86 119.762 122.236 -2.474 1
1 984 . 13 1 1 A 87 87 LEU H H 87 8.219 7.679 0.540 1
1 985 . 13 1 1 A 87 87 LEU HA H 87 4.340 4.599 -0.259 1
1 995 . 13 1 1 A 87 87 LEU C C 87 177.616 175.207 2.409 1
1 996 . 13 1 1 A 87 87 LEU CA C 87 55.425 53.879 1.546 1
1 997 . 13 1 1 A 87 87 LEU CB C 87 42.328 41.396 0.932 1
1 1001 . 13 1 1 A 87 87 LEU N N 87 125.404 124.999 0.405 1
1 1002 . 13 1 1 A 88 88 GLU H H 88 8.321 7.548 0.773 1
1 1003 . 13 1 1 A 88 88 GLU HA H 88 4.287 4.773 -0.486 1
1 1008 . 13 1 1 A 88 88 GLU C C 88 176.636 175.754 0.882 1
1 1009 . 13 1 1 A 88 88 GLU CA C 88 56.872 54.582 2.290 1
1 1010 . 13 1 1 A 88 88 GLU CB C 88 30.186 32.506 -2.320 1
1 1012 . 13 1 1 A 88 88 GLU N N 88 121.673 122.172 -0.499 1
1 1013 . 13 1 1 A 89 89 SER H H 89 8.254 9.151 -0.897 1
1 1014 . 13 1 1 A 89 89 SER HA H 89 4.483 4.037 0.446 1
1 1017 . 13 1 1 A 89 89 SER C C 89 174.693 173.455 1.238 1
1 1018 . 13 1 1 A 89 89 SER CA C 89 58.395 59.098 -0.703 1
1 1019 . 13 1 1 A 89 89 SER CB C 89 64.017 61.853 2.164 1
1 1020 . 13 1 1 A 89 89 SER N N 89 116.276 115.912 0.364 1
1 1021 . 13 1 1 A 90 90 SER H H 90 8.346 7.824 0.522 1
1 1022 . 13 1 1 A 90 90 SER HA H 90 4.478 4.926 -0.448 1
1 1024 . 13 1 1 A 90 90 SER C C 90 174.564 172.977 1.587 1
1 1025 . 13 1 1 A 90 90 SER CA C 90 58.525 57.275 1.250 1
1 1026 . 13 1 1 A 90 90 SER CB C 90 64.129 65.034 -0.905 1
1 1027 . 13 1 1 A 90 90 SER N N 90 117.689 115.681 2.008 1
1 1028 . 13 1 1 A 91 91 GLY H H 91 8.213 8.390 -0.177 1
1 1029 . 13 1 1 A 91 91 GLY HA2 H 91 4.112 4.163 -0.051 1
1 1030 . 13 1 1 A 91 91 GLY HA3 H 91 4.112 4.163 -0.051 1
1 1031 . 13 1 1 A 91 91 GLY C C 91 171.803 172.854 -1.051 1
1 1032 . 13 1 1 A 91 91 GLY CA C 91 44.743 44.516 0.227 1
1 1033 . 13 1 1 A 91 91 GLY N N 91 110.570 114.118 -3.548 1
1 1034 . 13 1 1 A 92 92 PRO HA H 92 4.530 4.805 -0.275 1
1 1035 . 13 1 1 A 93 93 SER HA H 93 4.498 5.058 -0.560 1
1 1037 . 13 1 1 A 93 93 SER C C 93 173.981 173.161 0.820 1
1 1038 . 13 1 1 A 93 93 SER CA C 93 57.378 57.658 -0.280 1
1 1039 . 13 1 1 A 93 93 SER CB C 93 58.505 65.903 -7.398 1
1 1040 . 13 1 1 A 94 94 SER H H 94 8.032 8.780 -0.748 1
1 1041 . 13 1 1 A 94 94 SER HA H 94 4.498 4.284 0.214 1
1 1043 . 13 1 1 A 94 94 SER C C 94 173.955 174.895 -0.940 1
1 1044 . 13 1 1 A 94 94 SER CA C 94 58.436 59.709 -1.273 1
1 1045 . 13 1 1 A 94 94 SER CB C 94 64.017 62.761 1.256 1
1 1046 . 13 1 1 A 94 94 SER N N 94 116.327 119.774 -3.447 1
1 1 . 14 1 1 A 11 11 ARG HA H 11 4.442 5.305 -0.863 1
1 6 . 14 1 1 A 11 11 ARG C C 11 175.365 175.820 -0.455 1
1 7 . 14 1 1 A 11 11 ARG CA C 11 55.738 54.850 0.888 1
1 8 . 14 1 1 A 11 11 ARG CB C 11 31.419 33.526 -2.107 1
1 11 . 14 1 1 A 12 12 PHE H H 12 8.430 9.060 -0.630 1
1 12 . 14 1 1 A 12 12 PHE HA H 12 4.481 5.381 -0.900 1
1 20 . 14 1 1 A 12 12 PHE C C 12 174.869 174.929 -0.060 1
1 21 . 14 1 1 A 12 12 PHE CA C 12 58.525 55.439 3.086 1
1 22 . 14 1 1 A 12 12 PHE CB C 12 39.955 41.641 -1.686 1
1 28 . 14 1 1 A 12 12 PHE N N 12 123.637 116.797 6.840 1
1 29 . 14 1 1 A 13 13 THR H H 13 7.543 8.589 -1.046 1
1 30 . 14 1 1 A 13 13 THR HA H 13 4.216 4.183 0.033 1
1 35 . 14 1 1 A 13 13 THR C C 13 172.757 174.350 -1.593 1
1 36 . 14 1 1 A 13 13 THR CA C 13 60.703 63.794 -3.091 1
1 37 . 14 1 1 A 13 13 THR CB C 13 70.578 69.465 1.113 1
1 39 . 14 1 1 A 13 13 THR N N 13 122.237 118.607 3.630 1
1 40 . 14 1 1 A 14 14 TRP H H 14 8.427 8.880 -0.453 1
1 41 . 14 1 1 A 14 14 TRP HA H 14 4.195 5.171 -0.976 1
1 50 . 14 1 1 A 14 14 TRP C C 14 177.225 175.996 1.229 1
1 51 . 14 1 1 A 14 14 TRP CA C 14 57.137 55.547 1.590 1
1 52 . 14 1 1 A 14 14 TRP CB C 14 29.919 32.557 -2.638 1
1 58 . 14 1 1 A 14 14 TRP N N 14 125.363 127.032 -1.669 1
1 60 . 14 1 1 A 15 15 ARG H H 15 8.790 8.919 -0.129 1
1 61 . 14 1 1 A 15 15 ARG HA H 15 4.436 4.676 -0.240 1
1 67 . 14 1 1 A 15 15 ARG C C 15 176.254 177.706 -1.452 1
1 68 . 14 1 1 A 15 15 ARG CA C 15 54.848 54.790 0.058 1
1 69 . 14 1 1 A 15 15 ARG CB C 15 30.217 32.535 -2.318 1
1 72 . 14 1 1 A 15 15 ARG N N 15 124.453 121.852 2.601 1
1 73 . 14 1 1 A 16 16 LYS H H 16 7.990 8.860 -0.870 1
1 74 . 14 1 1 A 16 16 LYS HA H 16 3.949 3.960 -0.011 1
1 81 . 14 1 1 A 16 16 LYS C C 16 179.133 178.551 0.582 1
1 82 . 14 1 1 A 16 16 LYS CA C 16 60.206 59.771 0.435 1
1 83 . 14 1 1 A 16 16 LYS CB C 16 32.102 32.092 0.010 1
1 87 . 14 1 1 A 16 16 LYS N N 16 120.654 123.463 -2.809 1
1 88 . 14 1 1 A 17 17 GLU H H 17 10.775 8.217 2.558 1
1 89 . 14 1 1 A 17 17 GLU HA H 17 4.126 4.034 0.092 1
1 94 . 14 1 1 A 17 17 GLU C C 17 179.581 179.100 0.481 1
1 95 . 14 1 1 A 17 17 GLU CA C 17 60.262 59.437 0.825 1
1 96 . 14 1 1 A 17 17 GLU CB C 17 28.944 29.672 -0.728 1
1 98 . 14 1 1 A 17 17 GLU N N 17 119.914 120.175 -0.261 1
1 99 . 14 1 1 A 18 18 CYS H H 18 7.314 8.355 -1.041 1
1 100 . 14 1 1 A 18 18 CYS HA H 18 4.166 4.299 -0.133 1
1 103 . 14 1 1 A 18 18 CYS C C 18 176.250 177.493 -1.243 1
1 104 . 14 1 1 A 18 18 CYS CA C 18 61.093 63.064 -1.971 1
1 105 . 14 1 1 A 18 18 CYS CB C 18 27.636 27.058 0.578 1
1 106 . 14 1 1 A 18 18 CYS N N 18 115.339 118.972 -3.633 1
1 107 . 14 1 1 A 19 19 LEU H H 19 7.975 8.545 -0.570 1
1 108 . 14 1 1 A 19 19 LEU HA H 19 3.365 3.617 -0.252 1
1 118 . 14 1 1 A 19 19 LEU C C 19 178.119 178.706 -0.587 1
1 119 . 14 1 1 A 19 19 LEU CA C 19 58.084 57.747 0.337 1
1 120 . 14 1 1 A 19 19 LEU CB C 19 40.713 41.056 -0.343 1
1 124 . 14 1 1 A 19 19 LEU N N 19 120.346 123.113 -2.767 1
1 125 . 14 1 1 A 20 20 ALA H H 20 7.481 7.885 -0.404 1
1 126 . 14 1 1 A 20 20 ALA HA H 20 4.079 3.979 0.100 1
1 130 . 14 1 1 A 20 20 ALA C C 20 180.800 180.562 0.238 1
1 131 . 14 1 1 A 20 20 ALA CA C 20 55.172 55.129 0.043 1
1 132 . 14 1 1 A 20 20 ALA CB C 20 17.975 18.234 -0.259 1
1 133 . 14 1 1 A 20 20 ALA N N 20 119.101 121.819 -2.718 1
1 134 . 14 1 1 A 21 21 VAL H H 21 6.932 7.326 -0.394 1
1 135 . 14 1 1 A 21 21 VAL HA H 21 3.752 3.587 0.165 1
1 143 . 14 1 1 A 21 21 VAL C C 21 178.850 178.075 0.775 1
1 144 . 14 1 1 A 21 21 VAL CA C 21 66.018 67.146 -1.128 1
1 145 . 14 1 1 A 21 21 VAL CB C 21 32.168 31.594 0.574 1
1 148 . 14 1 1 A 21 21 VAL N N 21 118.965 117.973 0.992 1
1 149 . 14 1 1 A 22 22 MET H H 22 7.925 7.730 0.195 1
1 150 . 14 1 1 A 22 22 MET HA H 22 3.894 4.105 -0.211 1
1 158 . 14 1 1 A 22 22 MET C C 22 177.997 178.733 -0.736 1
1 159 . 14 1 1 A 22 22 MET CA C 22 60.060 58.652 1.408 1
1 160 . 14 1 1 A 22 22 MET CB C 22 30.494 31.839 -1.345 1
1 163 . 14 1 1 A 22 22 MET N N 22 118.668 116.899 1.769 1
1 164 . 14 1 1 A 23 23 GLU H H 23 8.452 7.747 0.705 1
1 165 . 14 1 1 A 23 23 GLU HA H 23 4.048 4.032 0.016 1
1 170 . 14 1 1 A 23 23 GLU C C 23 178.809 179.124 -0.315 1
1 171 . 14 1 1 A 23 23 GLU CA C 23 59.676 59.294 0.382 1
1 172 . 14 1 1 A 23 23 GLU CB C 23 29.289 28.936 0.353 1
1 174 . 14 1 1 A 23 23 GLU N N 23 118.239 119.650 -1.411 1
1 175 . 14 1 1 A 24 24 SER H H 24 7.431 7.518 -0.087 1
1 176 . 14 1 1 A 24 24 SER HA H 24 4.279 4.263 0.016 1
1 179 . 14 1 1 A 24 24 SER C C 24 177.916 177.212 0.704 1
1 180 . 14 1 1 A 24 24 SER CA C 24 61.785 61.650 0.135 1
1 181 . 14 1 1 A 24 24 SER CB C 24 62.616 63.166 -0.550 1
1 182 . 14 1 1 A 24 24 SER N N 24 113.792 116.033 -2.241 1
1 183 . 14 1 1 A 25 25 TYR H H 25 7.845 8.265 -0.420 1
1 184 . 14 1 1 A 25 25 TYR HA H 25 4.354 4.322 0.032 1
1 191 . 14 1 1 A 25 25 TYR C C 25 178.789 178.954 -0.165 1
1 192 . 14 1 1 A 25 25 TYR CA C 25 63.193 60.926 2.267 1
1 193 . 14 1 1 A 25 25 TYR CB C 25 38.706 38.136 0.570 1
1 198 . 14 1 1 A 25 25 TYR N N 25 120.184 119.115 1.069 1
1 199 . 14 1 1 A 26 26 PHE H H 26 9.279 8.167 1.112 1
1 200 . 14 1 1 A 26 26 PHE HA H 26 4.237 4.811 -0.574 1
1 208 . 14 1 1 A 26 26 PHE C C 26 175.885 177.933 -2.048 1
1 209 . 14 1 1 A 26 26 PHE CA C 26 62.008 61.113 0.895 1
1 210 . 14 1 1 A 26 26 PHE CB C 26 39.072 39.083 -0.011 1
1 216 . 14 1 1 A 26 26 PHE N N 26 123.634 120.531 3.103 1
1 217 . 14 1 1 A 27 27 ASN H H 27 7.807 8.193 -0.386 1
1 218 . 14 1 1 A 27 27 ASN HA H 27 4.409 4.589 -0.180 1
1 223 . 14 1 1 A 27 27 ASN C C 27 176.108 177.355 -1.247 1
1 224 . 14 1 1 A 27 27 ASN CA C 27 55.307 56.261 -0.954 1
1 225 . 14 1 1 A 27 27 ASN CB C 27 38.810 38.154 0.656 1
1 226 . 14 1 1 A 27 27 ASN N N 27 112.896 117.611 -4.715 1
1 228 . 14 1 1 A 28 28 GLU H H 28 7.431 7.959 -0.528 1
1 229 . 14 1 1 A 28 28 GLU HA H 28 4.274 4.306 -0.032 1
1 234 . 14 1 1 A 28 28 GLU C C 28 176.880 176.425 0.455 1
1 235 . 14 1 1 A 28 28 GLU CA C 28 57.875 58.020 -0.145 1
1 236 . 14 1 1 A 28 28 GLU CB C 28 30.965 29.636 1.329 1
1 238 . 14 1 1 A 28 28 GLU N N 28 117.899 114.651 3.248 1
1 239 . 14 1 1 A 29 29 ASN H H 29 7.950 8.032 -0.082 1
1 240 . 14 1 1 A 29 29 ASN HA H 29 4.562 5.025 -0.463 1
1 245 . 14 1 1 A 29 29 ASN C C 29 174.036 174.826 -0.790 1
1 246 . 14 1 1 A 29 29 ASN CA C 29 53.654 52.935 0.719 1
1 247 . 14 1 1 A 29 29 ASN CB C 29 39.361 41.008 -1.647 1
1 248 . 14 1 1 A 29 29 ASN N N 29 116.656 117.180 -0.524 1
1 250 . 14 1 1 A 30 30 GLN H H 30 8.658 8.402 0.256 1
1 251 . 14 1 1 A 30 30 GLN HA H 30 3.848 3.401 0.447 1
1 258 . 14 1 1 A 30 30 GLN C C 30 174.503 175.404 -0.901 1
1 259 . 14 1 1 A 30 30 GLN CA C 30 57.336 57.743 -0.407 1
1 260 . 14 1 1 A 30 30 GLN CB C 30 27.978 29.322 -1.344 1
1 262 . 14 1 1 A 30 30 GLN N N 30 122.486 122.894 -0.408 1
1 264 . 14 1 1 A 31 31 TYR H H 31 8.181 7.935 0.246 1
1 265 . 14 1 1 A 31 31 TYR HA H 31 4.769 5.067 -0.298 1
1 272 . 14 1 1 A 31 31 TYR C C 31 172.816 173.139 -0.323 1
1 273 . 14 1 1 A 31 31 TYR CA C 31 55.409 53.902 1.507 1
1 274 . 14 1 1 A 31 31 TYR CB C 31 38.938 38.592 0.346 1
1 279 . 14 1 1 A 31 31 TYR N N 31 116.012 117.254 -1.242 1
1 280 . 14 1 1 A 32 32 PRO HA H 32 4.320 4.580 -0.260 1
1 287 . 14 1 1 A 32 32 PRO C C 32 177.530 176.917 0.613 1
1 288 . 14 1 1 A 32 32 PRO CA C 32 63.041 62.657 0.384 1
1 289 . 14 1 1 A 32 32 PRO CB C 32 31.052 31.802 -0.750 1
1 292 . 14 1 1 A 33 33 ASP H H 33 8.439 8.397 0.042 1
1 293 . 14 1 1 A 33 33 ASP HA H 33 4.475 4.641 -0.166 1
1 296 . 14 1 1 A 33 33 ASP C C 33 175.397 177.514 -2.117 1
1 297 . 14 1 1 A 33 33 ASP CA C 33 52.562 54.302 -1.740 1
1 298 . 14 1 1 A 33 33 ASP CB C 33 40.363 41.940 -1.577 1
1 299 . 14 1 1 A 33 33 ASP N N 33 125.278 122.193 3.085 1
1 300 . 14 1 1 A 34 34 GLU H H 34 8.644 9.071 -0.427 1
1 301 . 14 1 1 A 34 34 GLU HA H 34 3.613 3.905 -0.292 1
1 306 . 14 1 1 A 34 34 GLU C C 34 178.261 178.217 0.044 1
1 307 . 14 1 1 A 34 34 GLU CA C 34 61.565 59.589 1.976 1
1 308 . 14 1 1 A 34 34 GLU CB C 34 29.289 29.214 0.075 1
1 310 . 14 1 1 A 34 34 GLU N N 34 118.756 123.010 -4.254 1
1 311 . 14 1 1 A 35 35 ALA H H 35 8.121 8.187 -0.066 1
1 312 . 14 1 1 A 35 35 ALA HA H 35 4.155 4.095 0.060 1
1 316 . 14 1 1 A 35 35 ALA C C 35 181.307 179.566 1.741 1
1 317 . 14 1 1 A 35 35 ALA CA C 35 54.953 55.093 -0.140 1
1 318 . 14 1 1 A 35 35 ALA CB C 35 17.975 18.348 -0.373 1
1 319 . 14 1 1 A 35 35 ALA N N 35 121.196 121.460 -0.264 1
1 320 . 14 1 1 A 36 36 LYS H H 36 8.448 7.919 0.529 1
1 321 . 14 1 1 A 36 36 LYS HA H 36 4.157 4.039 0.118 1
1 330 . 14 1 1 A 36 36 LYS C C 36 178.769 178.613 0.156 1
1 331 . 14 1 1 A 36 36 LYS CA C 36 56.576 59.635 -3.059 1
1 332 . 14 1 1 A 36 36 LYS CB C 36 29.689 32.253 -2.564 1
1 336 . 14 1 1 A 36 36 LYS N N 36 121.690 118.482 3.208 1
1 337 . 14 1 1 A 37 37 ARG H H 37 8.977 8.112 0.865 1
1 338 . 14 1 1 A 37 37 ARG HA H 37 3.711 3.898 -0.187 1
1 345 . 14 1 1 A 37 37 ARG C C 37 178.444 178.895 -0.451 1
1 346 . 14 1 1 A 37 37 ARG CA C 37 61.131 59.484 1.647 1
1 347 . 14 1 1 A 37 37 ARG CB C 37 30.941 29.851 1.090 1
1 350 . 14 1 1 A 37 37 ARG N N 37 117.588 118.760 -1.172 1
1 351 . 14 1 1 A 38 38 GLU H H 38 7.750 7.929 -0.179 1
1 352 . 14 1 1 A 38 38 GLU HA H 38 4.083 4.157 -0.074 1
1 357 . 14 1 1 A 38 38 GLU C C 38 178.301 179.675 -1.374 1
1 358 . 14 1 1 A 38 38 GLU CA C 38 59.321 58.222 1.099 1
1 359 . 14 1 1 A 38 38 GLU CB C 38 29.013 29.501 -0.488 1
1 361 . 14 1 1 A 38 38 GLU N N 38 119.080 119.724 -0.644 1
1 362 . 14 1 1 A 39 39 GLU H H 39 7.540 7.752 -0.212 1
1 363 . 14 1 1 A 39 39 GLU HA H 39 4.048 4.120 -0.072 1
1 368 . 14 1 1 A 39 39 GLU C C 39 179.784 178.741 1.043 1
1 369 . 14 1 1 A 39 39 GLU CA C 39 59.646 59.077 0.569 1
1 370 . 14 1 1 A 39 39 GLU CB C 39 29.409 29.726 -0.317 1
1 372 . 14 1 1 A 39 39 GLU N N 39 121.188 119.419 1.769 1
1 373 . 14 1 1 A 40 40 ILE H H 40 8.634 7.935 0.699 1
1 374 . 14 1 1 A 40 40 ILE HA H 40 3.133 3.469 -0.336 1
1 384 . 14 1 1 A 40 40 ILE C C 40 178.119 177.597 0.522 1
1 385 . 14 1 1 A 40 40 ILE CA C 40 65.462 63.311 2.151 1
1 386 . 14 1 1 A 40 40 ILE CB C 40 37.951 36.723 1.228 1
1 390 . 14 1 1 A 40 40 ILE N N 40 121.126 120.177 0.949 1
1 391 . 14 1 1 A 41 41 ALA H H 41 8.462 8.477 -0.015 1
1 392 . 14 1 1 A 41 41 ALA HA H 41 3.713 4.062 -0.349 1
1 396 . 14 1 1 A 41 41 ALA C C 41 178.850 180.483 -1.633 1
1 397 . 14 1 1 A 41 41 ALA CA C 41 56.014 55.635 0.379 1
1 398 . 14 1 1 A 41 41 ALA CB C 41 16.779 18.047 -1.268 1
1 399 . 14 1 1 A 41 41 ALA N N 41 123.029 123.473 -0.444 1
1 400 . 14 1 1 A 42 42 ASN H H 42 8.264 8.509 -0.245 1
1 401 . 14 1 1 A 42 42 ASN HA H 42 4.521 4.447 0.074 1
1 406 . 14 1 1 A 42 42 ASN C C 42 178.220 177.558 0.662 1
1 407 . 14 1 1 A 42 42 ASN CA C 42 56.193 55.810 0.383 1
1 408 . 14 1 1 A 42 42 ASN CB C 42 37.775 37.734 0.041 1
1 409 . 14 1 1 A 42 42 ASN N N 42 115.462 117.793 -2.331 1
1 411 . 14 1 1 A 43 43 ALA H H 43 8.403 7.651 0.752 1
1 412 . 14 1 1 A 43 43 ALA HA H 43 4.273 4.111 0.162 1
1 416 . 14 1 1 A 43 43 ALA C C 43 180.962 180.092 0.870 1
1 417 . 14 1 1 A 43 43 ALA CA C 43 55.200 55.118 0.082 1
1 418 . 14 1 1 A 43 43 ALA CB C 43 18.478 17.873 0.605 1
1 419 . 14 1 1 A 43 43 ALA N N 43 125.139 122.221 2.918 1
1 420 . 14 1 1 A 44 44 CYS H H 44 8.457 7.821 0.636 1
1 421 . 14 1 1 A 44 44 CYS HA H 44 4.156 4.133 0.023 1
1 424 . 14 1 1 A 44 44 CYS C C 44 176.534 177.245 -0.711 1
1 425 . 14 1 1 A 44 44 CYS CA C 44 64.768 63.689 1.079 1
1 426 . 14 1 1 A 44 44 CYS CB C 44 27.644 27.067 0.577 1
1 427 . 14 1 1 A 44 44 CYS N N 44 116.609 116.284 0.325 1
1 428 . 14 1 1 A 45 45 ASN H H 45 8.346 7.831 0.515 1
1 429 . 14 1 1 A 45 45 ASN HA H 45 4.613 4.497 0.116 1
1 434 . 14 1 1 A 45 45 ASN C C 45 177.631 177.685 -0.054 1
1 435 . 14 1 1 A 45 45 ASN CA C 45 55.723 56.093 -0.370 1
1 436 . 14 1 1 A 45 45 ASN CB C 45 37.526 37.909 -0.383 1
1 437 . 14 1 1 A 45 45 ASN N N 45 117.491 118.453 -0.962 1
1 439 . 14 1 1 A 46 46 ALA H H 46 8.014 7.618 0.396 1
1 440 . 14 1 1 A 46 46 ALA HA H 46 4.200 4.077 0.123 1
1 444 . 14 1 1 A 46 46 ALA C C 46 180.292 179.689 0.603 1
1 445 . 14 1 1 A 46 46 ALA CA C 46 54.805 55.126 -0.321 1
1 446 . 14 1 1 A 46 46 ALA CB C 46 18.283 18.339 -0.056 1
1 447 . 14 1 1 A 46 46 ALA N N 46 120.198 123.409 -3.211 1
1 448 . 14 1 1 A 47 47 VAL H H 47 7.240 8.008 -0.768 1
1 449 . 14 1 1 A 47 47 VAL HA H 47 4.306 3.818 0.488 1
1 457 . 14 1 1 A 47 47 VAL C C 47 177.083 176.818 0.265 1
1 458 . 14 1 1 A 47 47 VAL CA C 47 63.484 65.231 -1.747 1
1 459 . 14 1 1 A 47 47 VAL CB C 47 31.935 31.491 0.444 1
1 462 . 14 1 1 A 47 47 VAL N N 47 110.165 116.367 -6.202 1
1 463 . 14 1 1 A 48 48 ILE H H 48 7.146 7.029 0.117 1
1 464 . 14 1 1 A 48 48 ILE HA H 48 4.473 4.589 -0.116 1
1 474 . 14 1 1 A 48 48 ILE C C 48 175.966 176.010 -0.044 1
1 475 . 14 1 1 A 48 48 ILE CA C 48 62.055 61.024 1.031 1
1 476 . 14 1 1 A 48 48 ILE CB C 48 39.444 39.167 0.277 1
1 480 . 14 1 1 A 48 48 ILE N N 48 112.085 116.471 -4.386 1
1 481 . 14 1 1 A 49 49 GLN H H 49 7.671 8.046 -0.375 1
1 482 . 14 1 1 A 49 49 GLN HA H 49 4.254 4.160 0.094 1
1 489 . 14 1 1 A 49 49 GLN C C 49 175.417 175.132 0.285 1
1 490 . 14 1 1 A 49 49 GLN CA C 49 56.370 56.042 0.328 1
1 491 . 14 1 1 A 49 49 GLN CB C 49 29.289 29.271 0.018 1
1 493 . 14 1 1 A 49 49 GLN N N 49 123.076 123.423 -0.347 1
1 495 . 14 1 1 A 50 50 LYS H H 50 8.932 8.634 0.298 1
1 496 . 14 1 1 A 50 50 LYS HA H 50 4.760 4.755 0.005 1
1 502 . 14 1 1 A 50 50 LYS C C 50 174.497 174.100 0.397 1
1 503 . 14 1 1 A 50 50 LYS CA C 50 53.341 53.026 0.315 1
1 504 . 14 1 1 A 50 50 LYS CB C 50 32.860 33.360 -0.500 1
1 506 . 14 1 1 A 50 50 LYS N N 50 127.505 126.974 0.531 1
1 507 . 14 1 1 A 51 51 PRO HA H 51 4.328 4.300 0.028 1
1 514 . 14 1 1 A 51 51 PRO CA C 51 64.015 63.722 0.293 1
1 515 . 14 1 1 A 51 51 PRO CB C 51 31.590 31.282 0.308 1
1 518 . 14 1 1 A 52 52 GLY H H 52 8.752 8.771 -0.019 1
1 519 . 14 1 1 A 52 52 GLY HA2 H 52 4.113 3.948 0.165 1
1 520 . 14 1 1 A 52 52 GLY HA3 H 52 3.728 3.949 -0.221 1
1 521 . 14 1 1 A 52 52 GLY C C 52 173.732 173.518 0.214 1
1 522 . 14 1 1 A 52 52 GLY CA C 52 45.646 45.600 0.046 1
1 523 . 14 1 1 A 53 53 LYS H H 53 7.734 7.410 0.324 1
1 524 . 14 1 1 A 53 53 LYS HA H 53 4.621 4.692 -0.071 1
1 531 . 14 1 1 A 53 53 LYS C C 53 175.681 175.286 0.395 1
1 532 . 14 1 1 A 53 53 LYS CA C 53 54.451 54.805 -0.354 1
1 533 . 14 1 1 A 53 53 LYS CB C 53 34.466 35.084 -0.618 1
1 537 . 14 1 1 A 53 53 LYS N N 53 120.205 121.399 -1.194 1
1 538 . 14 1 1 A 54 54 LYS H H 54 8.536 8.493 0.043 1
1 539 . 14 1 1 A 54 54 LYS HA H 54 4.412 4.584 -0.172 1
1 546 . 14 1 1 A 54 54 LYS C C 54 177.022 176.883 0.139 1
1 547 . 14 1 1 A 54 54 LYS CA C 54 55.691 56.091 -0.400 1
1 548 . 14 1 1 A 54 54 LYS CB C 54 33.453 33.533 -0.080 1
1 552 . 14 1 1 A 54 54 LYS N N 54 124.424 128.061 -3.637 1
1 553 . 14 1 1 A 55 55 LEU H H 55 8.656 8.506 0.150 1
1 554 . 14 1 1 A 55 55 LEU HA H 55 4.407 4.268 0.139 1
1 564 . 14 1 1 A 55 55 LEU C C 55 177.448 176.513 0.935 1
1 565 . 14 1 1 A 55 55 LEU CA C 55 54.670 55.061 -0.391 1
1 566 . 14 1 1 A 55 55 LEU CB C 55 43.243 42.339 0.904 1
1 570 . 14 1 1 A 55 55 LEU N N 55 126.145 127.228 -1.083 1
1 571 . 14 1 1 A 56 56 SER H H 56 9.313 8.764 0.549 1
1 572 . 14 1 1 A 56 56 SER HA H 56 4.496 4.740 -0.244 1
1 575 . 14 1 1 A 56 56 SER C C 56 175.226 175.123 0.103 1
1 576 . 14 1 1 A 56 56 SER CA C 56 57.507 57.447 0.060 1
1 577 . 14 1 1 A 56 56 SER CB C 56 64.802 65.451 -0.649 1
1 578 . 14 1 1 A 56 56 SER N N 56 121.790 117.822 3.968 1
1 579 . 14 1 1 A 57 57 ASP H H 57 8.929 9.043 -0.114 1
1 580 . 14 1 1 A 57 57 ASP HA H 57 4.314 4.216 0.098 1
1 583 . 14 1 1 A 57 57 ASP C C 57 177.855 177.881 -0.026 1
1 584 . 14 1 1 A 57 57 ASP CA C 57 57.403 56.987 0.416 1
1 585 . 14 1 1 A 57 57 ASP CB C 57 40.353 40.249 0.104 1
1 586 . 14 1 1 A 58 58 LEU H H 58 7.824 7.980 -0.156 1
1 587 . 14 1 1 A 58 58 LEU HA H 58 4.194 3.971 0.223 1
1 597 . 14 1 1 A 58 58 LEU C C 58 177.509 178.302 -0.793 1
1 598 . 14 1 1 A 58 58 LEU CA C 58 56.754 57.844 -1.090 1
1 599 . 14 1 1 A 58 58 LEU CB C 58 42.259 41.080 1.179 1
1 603 . 14 1 1 A 58 58 LEU N N 58 117.552 118.695 -1.143 1
1 604 . 14 1 1 A 59 59 GLU H H 59 7.325 7.313 0.012 1
1 605 . 14 1 1 A 59 59 GLU HA H 59 4.286 4.429 -0.143 1
1 610 . 14 1 1 A 59 59 GLU C C 59 175.661 176.486 -0.825 1
1 611 . 14 1 1 A 59 59 GLU CA C 59 56.370 56.687 -0.317 1
1 612 . 14 1 1 A 59 59 GLU CB C 59 32.314 30.146 2.168 1
1 614 . 14 1 1 A 59 59 GLU N N 59 115.631 116.576 -0.945 1
1 615 . 14 1 1 A 60 60 ARG H H 60 7.408 7.619 -0.211 1
1 616 . 14 1 1 A 60 60 ARG HA H 60 3.948 4.523 -0.575 1
1 623 . 14 1 1 A 60 60 ARG C C 60 175.194 175.252 -0.058 1
1 624 . 14 1 1 A 60 60 ARG CA C 60 57.167 56.506 0.661 1
1 625 . 14 1 1 A 60 60 ARG CB C 60 31.083 30.718 0.365 1
1 628 . 14 1 1 A 60 60 ARG N N 60 118.018 122.964 -4.946 1
1 629 . 14 1 1 A 61 61 VAL H H 61 10.175 9.126 1.049 1
1 630 . 14 1 1 A 61 61 VAL HA H 61 3.462 4.354 -0.892 1
1 638 . 14 1 1 A 61 61 VAL C C 61 175.681 176.065 -0.384 1
1 639 . 14 1 1 A 61 61 VAL CA C 61 65.077 61.519 3.558 1
1 640 . 14 1 1 A 61 61 VAL CB C 61 31.702 32.316 -0.614 1
1 643 . 14 1 1 A 61 61 VAL N N 61 128.658 126.872 1.786 1
1 644 . 14 1 1 A 62 62 THR H H 62 6.270 8.672 -2.402 1
1 645 . 14 1 1 A 62 62 THR HA H 62 4.780 4.775 0.005 1
1 650 . 14 1 1 A 62 62 THR C C 62 175.064 175.678 -0.614 1
1 651 . 14 1 1 A 62 62 THR CA C 62 58.600 60.237 -1.637 1
1 652 . 14 1 1 A 62 62 THR CB C 62 72.355 71.596 0.759 1
1 654 . 14 1 1 A 62 62 THR N N 62 114.178 120.155 -5.977 1
1 655 . 14 1 1 A 63 63 SER HA H 63 3.869 4.162 -0.293 1
1 658 . 14 1 1 A 63 63 SER C C 63 176.656 176.465 0.191 1
1 659 . 14 1 1 A 63 63 SER CA C 63 61.433 61.249 0.184 1
1 660 . 14 1 1 A 63 63 SER CB C 63 62.197 63.110 -0.913 1
1 661 . 14 1 1 A 64 64 LEU H H 64 8.062 8.126 -0.064 1
1 662 . 14 1 1 A 64 64 LEU HA H 64 4.367 4.198 0.169 1
1 672 . 14 1 1 A 64 64 LEU C C 64 178.789 179.152 -0.363 1
1 673 . 14 1 1 A 64 64 LEU CA C 64 57.964 57.747 0.217 1
1 674 . 14 1 1 A 64 64 LEU CB C 64 42.052 41.562 0.490 1
1 678 . 14 1 1 A 64 64 LEU N N 64 123.294 123.098 0.196 1
1 679 . 14 1 1 A 65 65 LYS H H 65 7.524 7.852 -0.328 1
1 680 . 14 1 1 A 65 65 LYS HA H 65 4.292 4.209 0.083 1
1 689 . 14 1 1 A 65 65 LYS C C 65 180.779 179.703 1.076 1
1 690 . 14 1 1 A 65 65 LYS CA C 65 60.266 59.749 0.517 1
1 691 . 14 1 1 A 65 65 LYS CB C 65 32.808 32.536 0.272 1
1 695 . 14 1 1 A 65 65 LYS N N 65 119.262 118.858 0.404 1
1 696 . 14 1 1 A 66 66 VAL H H 66 8.290 7.810 0.480 1
1 697 . 14 1 1 A 66 66 VAL HA H 66 4.075 3.913 0.162 1
1 705 . 14 1 1 A 66 66 VAL C C 66 177.509 177.932 -0.423 1
1 706 . 14 1 1 A 66 66 VAL CA C 66 66.963 66.671 0.292 1
1 707 . 14 1 1 A 66 66 VAL CB C 66 32.419 31.621 0.798 1
1 710 . 14 1 1 A 66 66 VAL N N 66 119.900 120.430 -0.530 1
1 711 . 14 1 1 A 67 67 TYR H H 67 8.893 8.214 0.679 1
1 712 . 14 1 1 A 67 67 TYR HA H 67 3.857 4.200 -0.343 1
1 719 . 14 1 1 A 67 67 TYR C C 67 177.956 177.982 -0.026 1
1 720 . 14 1 1 A 67 67 TYR CA C 67 62.897 61.608 1.289 1
1 721 . 14 1 1 A 67 67 TYR CB C 67 38.326 38.614 -0.288 1
1 726 . 14 1 1 A 67 67 TYR N N 67 120.861 121.175 -0.314 1
1 727 . 14 1 1 A 68 68 ASN H H 68 8.561 8.070 0.491 1
1 728 . 14 1 1 A 68 68 ASN HA H 68 4.545 4.510 0.035 1
1 733 . 14 1 1 A 68 68 ASN C C 68 177.570 178.118 -0.548 1
1 734 . 14 1 1 A 68 68 ASN CA C 68 56.222 56.571 -0.349 1
1 735 . 14 1 1 A 68 68 ASN CB C 68 38.465 38.429 0.036 1
1 736 . 14 1 1 A 68 68 ASN N N 68 117.386 117.324 0.062 1
1 738 . 14 1 1 A 69 69 TRP H H 69 8.655 8.281 0.374 1
1 739 . 14 1 1 A 69 69 TRP HA H 69 4.151 4.304 -0.153 1
1 748 . 14 1 1 A 69 69 TRP C C 69 179.764 178.295 1.469 1
1 749 . 14 1 1 A 69 69 TRP CA C 69 63.194 61.400 1.794 1
1 750 . 14 1 1 A 69 69 TRP CB C 69 29.720 29.394 0.326 1
1 756 . 14 1 1 A 69 69 TRP N N 69 123.454 122.547 0.907 1
1 758 . 14 1 1 A 70 70 PHE H H 70 9.166 8.769 0.397 1
1 759 . 14 1 1 A 70 70 PHE HA H 70 3.745 4.533 -0.788 1
1 767 . 14 1 1 A 70 70 PHE C C 70 177.469 178.327 -0.858 1
1 768 . 14 1 1 A 70 70 PHE CA C 70 62.862 61.945 0.917 1
1 769 . 14 1 1 A 70 70 PHE CB C 70 39.115 38.220 0.895 1
1 775 . 14 1 1 A 70 70 PHE N N 70 120.259 118.345 1.914 1
1 776 . 14 1 1 A 71 71 ALA H H 71 8.169 8.173 -0.004 1
1 777 . 14 1 1 A 71 71 ALA HA H 71 3.868 3.951 -0.083 1
1 781 . 14 1 1 A 71 71 ALA C C 71 180.698 179.758 0.940 1
1 782 . 14 1 1 A 71 71 ALA CA C 71 55.307 55.161 0.146 1
1 783 . 14 1 1 A 71 71 ALA CB C 71 17.697 18.009 -0.312 1
1 784 . 14 1 1 A 71 71 ALA N N 71 120.051 122.551 -2.500 1
1 785 . 14 1 1 A 72 72 ASN H H 72 7.789 7.685 0.104 1
1 786 . 14 1 1 A 72 72 ASN HA H 72 4.280 4.313 -0.033 1
1 791 . 14 1 1 A 72 72 ASN C C 72 177.022 177.601 -0.579 1
1 792 . 14 1 1 A 72 72 ASN CA C 72 56.222 56.097 0.125 1
1 793 . 14 1 1 A 72 72 ASN CB C 72 38.363 38.720 -0.357 1
1 794 . 14 1 1 A 72 72 ASN N N 72 116.515 116.573 -0.058 1
1 796 . 14 1 1 A 73 73 ARG H H 73 7.999 7.415 0.584 1
1 797 . 14 1 1 A 73 73 ARG HA H 73 3.416 3.634 -0.218 1
1 805 . 14 1 1 A 73 73 ARG C C 73 178.708 178.856 -0.148 1
1 806 . 14 1 1 A 73 73 ARG CA C 73 57.403 59.090 -1.687 1
1 807 . 14 1 1 A 73 73 ARG CB C 73 28.264 29.294 -1.030 1
1 810 . 14 1 1 A 73 73 ARG N N 73 123.203 119.523 3.680 1
1 812 . 14 1 1 A 74 74 ARG H H 74 8.033 8.054 -0.021 1
1 813 . 14 1 1 A 74 74 ARG HA H 74 4.017 4.221 -0.204 1
1 820 . 14 1 1 A 74 74 ARG C C 74 178.850 178.719 0.131 1
1 821 . 14 1 1 A 74 74 ARG CA C 74 60.414 59.335 1.079 1
1 822 . 14 1 1 A 74 74 ARG CB C 74 31.221 29.821 1.400 1
1 825 . 14 1 1 A 74 74 ARG N N 74 116.187 119.164 -2.977 1
1 826 . 14 1 1 A 75 75 LYS H H 75 7.359 7.983 -0.624 1
1 827 . 14 1 1 A 75 75 LYS HA H 75 4.054 4.056 -0.002 1
1 834 . 14 1 1 A 75 75 LYS C C 75 178.301 178.755 -0.454 1
1 835 . 14 1 1 A 75 75 LYS CA C 75 58.908 59.206 -0.298 1
1 836 . 14 1 1 A 75 75 LYS CB C 75 32.463 31.978 0.485 1
1 840 . 14 1 1 A 75 75 LYS N N 75 118.329 118.357 -0.028 1
1 841 . 14 1 1 A 76 76 GLU H H 76 7.769 7.539 0.230 1
1 842 . 14 1 1 A 76 76 GLU HA H 76 4.051 4.097 -0.046 1
1 847 . 14 1 1 A 76 76 GLU C C 76 178.261 178.613 -0.352 1
1 848 . 14 1 1 A 76 76 GLU CA C 76 58.200 58.596 -0.396 1
1 849 . 14 1 1 A 76 76 GLU CB C 76 29.841 29.342 0.499 1
1 851 . 14 1 1 A 76 76 GLU N N 76 119.947 118.297 1.650 1
1 852 . 14 1 1 A 77 77 ILE H H 77 7.826 7.717 0.109 1
1 853 . 14 1 1 A 77 77 ILE HA H 77 3.856 3.790 0.066 1
1 863 . 14 1 1 A 77 77 ILE C C 77 177.794 177.651 0.143 1
1 864 . 14 1 1 A 77 77 ILE CA C 77 63.454 64.233 -0.779 1
1 865 . 14 1 1 A 77 77 ILE CB C 77 38.016 37.574 0.442 1
1 869 . 14 1 1 A 77 77 ILE N N 77 119.278 120.153 -0.875 1
1 870 . 14 1 1 A 78 78 LYS H H 78 7.802 8.290 -0.488 1
1 871 . 14 1 1 A 78 78 LYS HA H 78 4.196 4.037 0.159 1
1 878 . 14 1 1 A 78 78 LYS C C 78 177.591 178.799 -1.208 1
1 879 . 14 1 1 A 78 78 LYS CA C 78 57.728 59.067 -1.339 1
1 880 . 14 1 1 A 78 78 LYS CB C 78 32.601 32.031 0.570 1
1 884 . 14 1 1 A 78 78 LYS N N 78 122.041 122.328 -0.287 1
1 885 . 14 1 1 A 79 79 ARG H H 79 8.053 8.004 0.049 1
1 886 . 14 1 1 A 79 79 ARG HA H 79 4.196 4.070 0.126 1
1 891 . 14 1 1 A 79 79 ARG C C 79 177.448 178.916 -1.468 1
1 892 . 14 1 1 A 79 79 ARG CA C 79 57.639 59.547 -1.908 1
1 893 . 14 1 1 A 79 79 ARG CB C 79 30.531 29.739 0.792 1
1 896 . 14 1 1 A 79 79 ARG N N 79 120.496 119.233 1.263 1
1 897 . 14 1 1 A 80 80 ARG H H 80 8.083 7.499 0.584 1
1 898 . 14 1 1 A 80 80 ARG HA H 80 4.193 4.100 0.093 1
1 904 . 14 1 1 A 80 80 ARG C C 80 176.786 178.364 -1.578 1
1 905 . 14 1 1 A 80 80 ARG CA C 80 57.196 58.657 -1.461 1
1 906 . 14 1 1 A 80 80 ARG CB C 80 30.531 29.686 0.845 1
1 909 . 14 1 1 A 80 80 ARG N N 80 120.092 119.989 0.103 1
1 910 . 14 1 1 A 81 81 ALA H H 81 8.062 7.592 0.470 1
1 911 . 14 1 1 A 81 81 ALA HA H 81 4.256 4.125 0.131 1
1 915 . 14 1 1 A 81 81 ALA C C 81 178.013 178.768 -0.755 1
1 916 . 14 1 1 A 81 81 ALA CA C 81 53.141 53.754 -0.613 1
1 917 . 14 1 1 A 81 81 ALA CB C 81 19.003 18.352 0.651 1
1 918 . 14 1 1 A 81 81 ALA N N 81 123.434 122.091 1.343 1
1 919 . 14 1 1 A 82 82 ASN H H 82 8.219 7.548 0.671 1
1 920 . 14 1 1 A 82 82 ASN HA H 82 4.661 4.791 -0.130 1
1 925 . 14 1 1 A 82 82 ASN C C 82 175.620 175.062 0.558 1
1 926 . 14 1 1 A 82 82 ASN CA C 82 53.686 55.013 -1.327 1
1 927 . 14 1 1 A 82 82 ASN CB C 82 38.672 39.766 -1.094 1
1 928 . 14 1 1 A 82 82 ASN N N 82 117.551 115.990 1.561 1
1 930 . 14 1 1 A 83 83 ILE H H 83 7.949 8.091 -0.142 1
1 931 . 14 1 1 A 83 83 ILE HA H 83 4.077 3.718 0.359 1
1 941 . 14 1 1 A 83 83 ILE C C 83 176.291 176.436 -0.145 1
1 942 . 14 1 1 A 83 83 ILE CA C 83 61.695 62.426 -0.731 1
1 943 . 14 1 1 A 83 83 ILE CB C 83 38.672 35.691 2.981 1
1 947 . 14 1 1 A 83 83 ILE N N 83 120.666 118.206 2.460 1
1 948 . 14 1 1 A 84 84 ALA H H 84 8.184 7.735 0.449 1
1 949 . 14 1 1 A 84 84 ALA HA H 84 4.262 4.162 0.100 1
1 953 . 14 1 1 A 84 84 ALA C C 84 177.794 177.121 0.673 1
1 954 . 14 1 1 A 84 84 ALA CA C 84 53.005 54.045 -1.040 1
1 955 . 14 1 1 A 84 84 ALA CB C 84 18.941 18.494 0.447 1
1 956 . 14 1 1 A 84 84 ALA N N 84 126.306 123.143 3.163 1
1 957 . 14 1 1 A 85 85 ALA H H 85 8.019 7.401 0.618 1
1 958 . 14 1 1 A 85 85 ALA HA H 85 4.263 4.678 -0.415 1
1 962 . 14 1 1 A 85 85 ALA C C 85 178.143 177.393 0.750 1
1 963 . 14 1 1 A 85 85 ALA CA C 85 52.857 50.389 2.468 1
1 964 . 14 1 1 A 85 85 ALA CB C 85 19.170 21.809 -2.639 1
1 965 . 14 1 1 A 85 85 ALA N N 85 122.320 117.395 4.925 1
1 966 . 14 1 1 A 86 86 ILE H H 86 7.959 8.796 -0.837 1
1 967 . 14 1 1 A 86 86 ILE HA H 86 4.077 3.830 0.247 1
1 977 . 14 1 1 A 86 86 ILE C C 86 176.697 176.674 0.023 1
1 978 . 14 1 1 A 86 86 ILE CA C 86 61.654 64.248 -2.594 1
1 979 . 14 1 1 A 86 86 ILE CB C 86 38.603 37.613 0.990 1
1 983 . 14 1 1 A 86 86 ILE N N 86 119.762 121.196 -1.434 1
1 984 . 14 1 1 A 87 87 LEU H H 87 8.219 7.461 0.758 1
1 985 . 14 1 1 A 87 87 LEU HA H 87 4.340 4.077 0.263 1
1 995 . 14 1 1 A 87 87 LEU C C 87 177.616 175.383 2.233 1
1 996 . 14 1 1 A 87 87 LEU CA C 87 55.425 55.961 -0.536 1
1 997 . 14 1 1 A 87 87 LEU CB C 87 42.328 42.552 -0.224 1
1 1001 . 14 1 1 A 87 87 LEU N N 87 125.404 124.962 0.442 1
1 1002 . 14 1 1 A 88 88 GLU H H 88 8.321 8.692 -0.371 1
1 1003 . 14 1 1 A 88 88 GLU HA H 88 4.287 5.186 -0.899 1
1 1008 . 14 1 1 A 88 88 GLU C C 88 176.636 174.661 1.975 1
1 1009 . 14 1 1 A 88 88 GLU CA C 88 56.872 54.940 1.932 1
1 1010 . 14 1 1 A 88 88 GLU CB C 88 30.186 33.654 -3.468 1
1 1012 . 14 1 1 A 88 88 GLU N N 88 121.673 126.952 -5.279 1
1 1013 . 14 1 1 A 89 89 SER H H 89 8.254 8.545 -0.291 1
1 1014 . 14 1 1 A 89 89 SER HA H 89 4.483 5.174 -0.691 1
1 1017 . 14 1 1 A 89 89 SER C C 89 174.693 172.152 2.541 1
1 1018 . 14 1 1 A 89 89 SER CA C 89 58.395 56.670 1.725 1
1 1019 . 14 1 1 A 89 89 SER CB C 89 64.017 66.100 -2.083 1
1 1020 . 14 1 1 A 89 89 SER N N 89 116.276 119.426 -3.150 1
1 1021 . 14 1 1 A 90 90 SER H H 90 8.346 8.657 -0.311 1
1 1022 . 14 1 1 A 90 90 SER HA H 90 4.478 5.070 -0.592 1
1 1024 . 14 1 1 A 90 90 SER C C 90 174.564 173.682 0.882 1
1 1025 . 14 1 1 A 90 90 SER CA C 90 58.525 57.372 1.153 1
1 1026 . 14 1 1 A 90 90 SER CB C 90 64.129 64.256 -0.127 1
1 1027 . 14 1 1 A 90 90 SER N N 90 117.689 118.622 -0.933 1
1 1028 . 14 1 1 A 91 91 GLY H H 91 8.213 8.861 -0.648 1
1 1029 . 14 1 1 A 91 91 GLY HA2 H 91 4.112 4.160 -0.048 1
1 1030 . 14 1 1 A 91 91 GLY HA3 H 91 4.112 4.173 -0.061 1
1 1031 . 14 1 1 A 91 91 GLY C C 91 171.803 172.524 -0.721 1
1 1032 . 14 1 1 A 91 91 GLY CA C 91 44.743 43.799 0.944 1
1 1033 . 14 1 1 A 91 91 GLY N N 91 110.570 113.356 -2.786 1
1 1034 . 14 1 1 A 92 92 PRO HA H 92 4.530 4.626 -0.096 1
1 1035 . 14 1 1 A 93 93 SER HA H 93 4.498 4.539 -0.041 1
1 1037 . 14 1 1 A 93 93 SER C C 93 173.981 174.113 -0.132 1
1 1038 . 14 1 1 A 93 93 SER CA C 93 57.378 57.908 -0.530 1
1 1039 . 14 1 1 A 93 93 SER CB C 93 58.505 63.658 -5.153 1
1 1040 . 14 1 1 A 94 94 SER H H 94 8.032 9.106 -1.074 1
1 1041 . 14 1 1 A 94 94 SER HA H 94 4.498 4.468 0.030 1
1 1043 . 14 1 1 A 94 94 SER C C 94 173.955 173.642 0.313 1
1 1044 . 14 1 1 A 94 94 SER CA C 94 58.436 60.214 -1.778 1
1 1045 . 14 1 1 A 94 94 SER CB C 94 64.017 63.474 0.543 1
1 1046 . 14 1 1 A 94 94 SER N N 94 116.327 123.785 -7.458 1
1 1 . 15 1 1 A 11 11 ARG HA H 11 4.442 4.816 -0.374 1
1 6 . 15 1 1 A 11 11 ARG C C 11 175.365 175.209 0.156 1
1 7 . 15 1 1 A 11 11 ARG CA C 11 55.738 54.169 1.569 1
1 8 . 15 1 1 A 11 11 ARG CB C 11 31.419 33.678 -2.259 1
1 11 . 15 1 1 A 12 12 PHE H H 12 8.430 8.864 -0.434 1
1 12 . 15 1 1 A 12 12 PHE HA H 12 4.481 4.614 -0.133 1
1 20 . 15 1 1 A 12 12 PHE C C 12 174.869 174.754 0.115 1
1 21 . 15 1 1 A 12 12 PHE CA C 12 58.525 56.646 1.879 1
1 22 . 15 1 1 A 12 12 PHE CB C 12 39.955 39.130 0.825 1
1 28 . 15 1 1 A 12 12 PHE N N 12 123.637 122.846 0.791 1
1 29 . 15 1 1 A 13 13 THR H H 13 7.543 8.538 -0.995 1
1 30 . 15 1 1 A 13 13 THR HA H 13 4.216 4.310 -0.094 1
1 35 . 15 1 1 A 13 13 THR C C 13 172.757 173.426 -0.669 1
1 36 . 15 1 1 A 13 13 THR CA C 13 60.703 61.372 -0.669 1
1 37 . 15 1 1 A 13 13 THR CB C 13 70.578 69.680 0.898 1
1 39 . 15 1 1 A 13 13 THR N N 13 122.237 121.845 0.392 1
1 40 . 15 1 1 A 14 14 TRP H H 14 8.427 8.664 -0.237 1
1 41 . 15 1 1 A 14 14 TRP HA H 14 4.195 5.092 -0.897 1
1 50 . 15 1 1 A 14 14 TRP C C 14 177.225 176.116 1.109 1
1 51 . 15 1 1 A 14 14 TRP CA C 14 57.137 55.570 1.567 1
1 52 . 15 1 1 A 14 14 TRP CB C 14 29.919 32.648 -2.729 1
1 58 . 15 1 1 A 14 14 TRP N N 14 125.363 124.405 0.958 1
1 60 . 15 1 1 A 15 15 ARG H H 15 8.790 9.161 -0.371 1
1 61 . 15 1 1 A 15 15 ARG HA H 15 4.436 4.528 -0.092 1
1 67 . 15 1 1 A 15 15 ARG C C 15 176.254 178.056 -1.802 1
1 68 . 15 1 1 A 15 15 ARG CA C 15 54.848 55.387 -0.539 1
1 69 . 15 1 1 A 15 15 ARG CB C 15 30.217 31.594 -1.377 1
1 72 . 15 1 1 A 15 15 ARG N N 15 124.453 122.974 1.479 1
1 73 . 15 1 1 A 16 16 LYS H H 16 7.990 8.820 -0.830 1
1 74 . 15 1 1 A 16 16 LYS HA H 16 3.949 3.972 -0.023 1
1 81 . 15 1 1 A 16 16 LYS C C 16 179.133 178.597 0.536 1
1 82 . 15 1 1 A 16 16 LYS CA C 16 60.206 59.615 0.591 1
1 83 . 15 1 1 A 16 16 LYS CB C 16 32.102 32.020 0.082 1
1 87 . 15 1 1 A 16 16 LYS N N 16 120.654 123.168 -2.514 1
1 88 . 15 1 1 A 17 17 GLU H H 17 10.775 8.185 2.590 1
1 89 . 15 1 1 A 17 17 GLU HA H 17 4.126 4.027 0.099 1
1 94 . 15 1 1 A 17 17 GLU C C 17 179.581 179.087 0.494 1
1 95 . 15 1 1 A 17 17 GLU CA C 17 60.262 59.432 0.830 1
1 96 . 15 1 1 A 17 17 GLU CB C 17 28.944 29.668 -0.724 1
1 98 . 15 1 1 A 17 17 GLU N N 17 119.914 119.944 -0.030 1
1 99 . 15 1 1 A 18 18 CYS H H 18 7.314 8.347 -1.033 1
1 100 . 15 1 1 A 18 18 CYS HA H 18 4.166 4.268 -0.102 1
1 103 . 15 1 1 A 18 18 CYS C C 18 176.250 177.430 -1.180 1
1 104 . 15 1 1 A 18 18 CYS CA C 18 61.093 63.025 -1.932 1
1 105 . 15 1 1 A 18 18 CYS CB C 18 27.636 27.031 0.605 1
1 106 . 15 1 1 A 18 18 CYS N N 18 115.339 118.956 -3.617 1
1 107 . 15 1 1 A 19 19 LEU H H 19 7.975 8.351 -0.376 1
1 108 . 15 1 1 A 19 19 LEU HA H 19 3.365 3.564 -0.199 1
1 118 . 15 1 1 A 19 19 LEU C C 19 178.119 178.701 -0.582 1
1 119 . 15 1 1 A 19 19 LEU CA C 19 58.084 57.717 0.367 1
1 120 . 15 1 1 A 19 19 LEU CB C 19 40.713 41.164 -0.451 1
1 124 . 15 1 1 A 19 19 LEU N N 19 120.346 123.040 -2.694 1
1 125 . 15 1 1 A 20 20 ALA H H 20 7.481 7.890 -0.409 1
1 126 . 15 1 1 A 20 20 ALA HA H 20 4.079 3.931 0.148 1
1 130 . 15 1 1 A 20 20 ALA C C 20 180.800 180.386 0.414 1
1 131 . 15 1 1 A 20 20 ALA CA C 20 55.172 55.236 -0.064 1
1 132 . 15 1 1 A 20 20 ALA CB C 20 17.975 18.095 -0.120 1
1 133 . 15 1 1 A 20 20 ALA N N 20 119.101 121.977 -2.876 1
1 134 . 15 1 1 A 21 21 VAL H H 21 6.932 7.374 -0.442 1
1 135 . 15 1 1 A 21 21 VAL HA H 21 3.752 3.428 0.324 1
1 143 . 15 1 1 A 21 21 VAL C C 21 178.850 177.839 1.011 1
1 144 . 15 1 1 A 21 21 VAL CA C 21 66.018 67.385 -1.367 1
1 145 . 15 1 1 A 21 21 VAL CB C 21 32.168 31.447 0.721 1
1 148 . 15 1 1 A 21 21 VAL N N 21 118.965 117.750 1.215 1
1 149 . 15 1 1 A 22 22 MET H H 22 7.925 7.638 0.287 1
1 150 . 15 1 1 A 22 22 MET HA H 22 3.894 4.067 -0.173 1
1 158 . 15 1 1 A 22 22 MET C C 22 177.997 178.563 -0.566 1
1 159 . 15 1 1 A 22 22 MET CA C 22 60.060 58.767 1.293 1
1 160 . 15 1 1 A 22 22 MET CB C 22 30.494 32.182 -1.688 1
1 163 . 15 1 1 A 22 22 MET N N 22 118.668 117.120 1.548 1
1 164 . 15 1 1 A 23 23 GLU H H 23 8.452 7.633 0.819 1
1 165 . 15 1 1 A 23 23 GLU HA H 23 4.048 4.086 -0.038 1
1 170 . 15 1 1 A 23 23 GLU C C 23 178.809 179.178 -0.369 1
1 171 . 15 1 1 A 23 23 GLU CA C 23 59.676 59.114 0.562 1
1 172 . 15 1 1 A 23 23 GLU CB C 23 29.289 29.318 -0.029 1
1 174 . 15 1 1 A 23 23 GLU N N 23 118.239 118.799 -0.560 1
1 175 . 15 1 1 A 24 24 SER H H 24 7.431 7.444 -0.013 1
1 176 . 15 1 1 A 24 24 SER HA H 24 4.279 4.250 0.029 1
1 179 . 15 1 1 A 24 24 SER C C 24 177.916 177.173 0.743 1
1 180 . 15 1 1 A 24 24 SER CA C 24 61.785 61.507 0.278 1
1 181 . 15 1 1 A 24 24 SER CB C 24 62.616 62.908 -0.292 1
1 182 . 15 1 1 A 24 24 SER N N 24 113.792 116.007 -2.215 1
1 183 . 15 1 1 A 25 25 TYR H H 25 7.845 8.105 -0.260 1
1 184 . 15 1 1 A 25 25 TYR HA H 25 4.354 4.315 0.039 1
1 191 . 15 1 1 A 25 25 TYR C C 25 178.789 178.938 -0.149 1
1 192 . 15 1 1 A 25 25 TYR CA C 25 63.193 60.726 2.467 1
1 193 . 15 1 1 A 25 25 TYR CB C 25 38.706 38.087 0.619 1
1 198 . 15 1 1 A 25 25 TYR N N 25 120.184 119.259 0.925 1
1 199 . 15 1 1 A 26 26 PHE H H 26 9.279 8.407 0.872 1
1 200 . 15 1 1 A 26 26 PHE HA H 26 4.237 4.715 -0.478 1
1 208 . 15 1 1 A 26 26 PHE C C 26 175.885 178.030 -2.145 1
1 209 . 15 1 1 A 26 26 PHE CA C 26 62.008 61.610 0.398 1
1 210 . 15 1 1 A 26 26 PHE CB C 26 39.072 38.955 0.117 1
1 216 . 15 1 1 A 26 26 PHE N N 26 123.634 120.579 3.055 1
1 217 . 15 1 1 A 27 27 ASN H H 27 7.807 8.066 -0.259 1
1 218 . 15 1 1 A 27 27 ASN HA H 27 4.409 4.429 -0.020 1
1 223 . 15 1 1 A 27 27 ASN C C 27 176.108 177.366 -1.258 1
1 224 . 15 1 1 A 27 27 ASN CA C 27 55.307 56.472 -1.165 1
1 225 . 15 1 1 A 27 27 ASN CB C 27 38.810 37.958 0.852 1
1 226 . 15 1 1 A 27 27 ASN N N 27 112.896 117.131 -4.235 1
1 228 . 15 1 1 A 28 28 GLU H H 28 7.431 7.973 -0.542 1
1 229 . 15 1 1 A 28 28 GLU HA H 28 4.274 4.245 0.029 1
1 234 . 15 1 1 A 28 28 GLU C C 28 176.880 176.410 0.470 1
1 235 . 15 1 1 A 28 28 GLU CA C 28 57.875 58.044 -0.169 1
1 236 . 15 1 1 A 28 28 GLU CB C 28 30.965 29.569 1.396 1
1 238 . 15 1 1 A 28 28 GLU N N 28 117.899 114.761 3.138 1
1 239 . 15 1 1 A 29 29 ASN H H 29 7.950 7.994 -0.044 1
1 240 . 15 1 1 A 29 29 ASN HA H 29 4.562 4.913 -0.351 1
1 245 . 15 1 1 A 29 29 ASN C C 29 174.036 174.788 -0.752 1
1 246 . 15 1 1 A 29 29 ASN CA C 29 53.654 52.979 0.675 1
1 247 . 15 1 1 A 29 29 ASN CB C 29 39.361 40.672 -1.311 1
1 248 . 15 1 1 A 29 29 ASN N N 29 116.656 117.181 -0.525 1
1 250 . 15 1 1 A 30 30 GLN H H 30 8.658 8.272 0.386 1
1 251 . 15 1 1 A 30 30 GLN HA H 30 3.848 3.175 0.673 1
1 258 . 15 1 1 A 30 30 GLN C C 30 174.503 175.552 -1.049 1
1 259 . 15 1 1 A 30 30 GLN CA C 30 57.336 58.330 -0.994 1
1 260 . 15 1 1 A 30 30 GLN CB C 30 27.978 28.822 -0.844 1
1 262 . 15 1 1 A 30 30 GLN N N 30 122.486 123.597 -1.111 1
1 264 . 15 1 1 A 31 31 TYR H H 31 8.181 8.040 0.141 1
1 265 . 15 1 1 A 31 31 TYR HA H 31 4.769 5.199 -0.430 1
1 272 . 15 1 1 A 31 31 TYR C C 31 172.816 173.431 -0.615 1
1 273 . 15 1 1 A 31 31 TYR CA C 31 55.409 54.445 0.964 1
1 274 . 15 1 1 A 31 31 TYR CB C 31 38.938 39.012 -0.074 1
1 279 . 15 1 1 A 31 31 TYR N N 31 116.012 117.511 -1.499 1
1 280 . 15 1 1 A 32 32 PRO HA H 32 4.320 4.606 -0.286 1
1 287 . 15 1 1 A 32 32 PRO C C 32 177.530 176.962 0.568 1
1 288 . 15 1 1 A 32 32 PRO CA C 32 63.041 62.668 0.373 1
1 289 . 15 1 1 A 32 32 PRO CB C 32 31.052 31.848 -0.796 1
1 292 . 15 1 1 A 33 33 ASP H H 33 8.439 8.465 -0.026 1
1 293 . 15 1 1 A 33 33 ASP HA H 33 4.475 4.648 -0.173 1
1 296 . 15 1 1 A 33 33 ASP C C 33 175.397 177.249 -1.852 1
1 297 . 15 1 1 A 33 33 ASP CA C 33 52.562 54.437 -1.875 1
1 298 . 15 1 1 A 33 33 ASP CB C 33 40.363 41.932 -1.569 1
1 299 . 15 1 1 A 33 33 ASP N N 33 125.278 122.194 3.084 1
1 300 . 15 1 1 A 34 34 GLU H H 34 8.644 8.815 -0.171 1
1 301 . 15 1 1 A 34 34 GLU HA H 34 3.613 3.979 -0.366 1
1 306 . 15 1 1 A 34 34 GLU C C 34 178.261 178.612 -0.351 1
1 307 . 15 1 1 A 34 34 GLU CA C 34 61.565 59.428 2.137 1
1 308 . 15 1 1 A 34 34 GLU CB C 34 29.289 29.227 0.062 1
1 310 . 15 1 1 A 34 34 GLU N N 34 118.756 120.749 -1.993 1
1 311 . 15 1 1 A 35 35 ALA H H 35 8.121 8.090 0.031 1
1 312 . 15 1 1 A 35 35 ALA HA H 35 4.155 4.056 0.099 1
1 316 . 15 1 1 A 35 35 ALA C C 35 181.307 179.478 1.829 1
1 317 . 15 1 1 A 35 35 ALA CA C 35 54.953 55.076 -0.123 1
1 318 . 15 1 1 A 35 35 ALA CB C 35 17.975 18.379 -0.404 1
1 319 . 15 1 1 A 35 35 ALA N N 35 121.196 122.639 -1.443 1
1 320 . 15 1 1 A 36 36 LYS H H 36 8.448 7.940 0.508 1
1 321 . 15 1 1 A 36 36 LYS HA H 36 4.157 4.024 0.133 1
1 330 . 15 1 1 A 36 36 LYS C C 36 178.769 178.624 0.145 1
1 331 . 15 1 1 A 36 36 LYS CA C 36 56.576 59.730 -3.154 1
1 332 . 15 1 1 A 36 36 LYS CB C 36 29.689 32.254 -2.565 1
1 336 . 15 1 1 A 36 36 LYS N N 36 121.690 118.292 3.398 1
1 337 . 15 1 1 A 37 37 ARG H H 37 8.977 8.066 0.911 1
1 338 . 15 1 1 A 37 37 ARG HA H 37 3.711 3.911 -0.200 1
1 345 . 15 1 1 A 37 37 ARG C C 37 178.444 178.955 -0.511 1
1 346 . 15 1 1 A 37 37 ARG CA C 37 61.131 59.356 1.775 1
1 347 . 15 1 1 A 37 37 ARG CB C 37 30.941 29.747 1.194 1
1 350 . 15 1 1 A 37 37 ARG N N 37 117.588 118.821 -1.233 1
1 351 . 15 1 1 A 38 38 GLU H H 38 7.750 7.887 -0.137 1
1 352 . 15 1 1 A 38 38 GLU HA H 38 4.083 4.163 -0.080 1
1 357 . 15 1 1 A 38 38 GLU C C 38 178.301 179.338 -1.037 1
1 358 . 15 1 1 A 38 38 GLU CA C 38 59.321 57.734 1.587 1
1 359 . 15 1 1 A 38 38 GLU CB C 38 29.013 29.559 -0.546 1
1 361 . 15 1 1 A 38 38 GLU N N 38 119.080 119.620 -0.540 1
1 362 . 15 1 1 A 39 39 GLU H H 39 7.540 7.991 -0.451 1
1 363 . 15 1 1 A 39 39 GLU HA H 39 4.048 4.048 0.000 1
1 368 . 15 1 1 A 39 39 GLU C C 39 179.784 178.779 1.005 1
1 369 . 15 1 1 A 39 39 GLU CA C 39 59.646 59.171 0.475 1
1 370 . 15 1 1 A 39 39 GLU CB C 39 29.409 29.710 -0.301 1
1 372 . 15 1 1 A 39 39 GLU N N 39 121.188 119.594 1.594 1
1 373 . 15 1 1 A 40 40 ILE H H 40 8.634 7.749 0.885 1
1 374 . 15 1 1 A 40 40 ILE HA H 40 3.133 3.375 -0.242 1
1 384 . 15 1 1 A 40 40 ILE C C 40 178.119 177.622 0.497 1
1 385 . 15 1 1 A 40 40 ILE CA C 40 65.462 62.843 2.619 1
1 386 . 15 1 1 A 40 40 ILE CB C 40 37.951 36.639 1.312 1
1 390 . 15 1 1 A 40 40 ILE N N 40 121.126 120.000 1.126 1
1 391 . 15 1 1 A 41 41 ALA H H 41 8.462 7.899 0.563 1
1 392 . 15 1 1 A 41 41 ALA HA H 41 3.713 3.972 -0.259 1
1 396 . 15 1 1 A 41 41 ALA C C 41 178.850 179.972 -1.122 1
1 397 . 15 1 1 A 41 41 ALA CA C 41 56.014 55.292 0.722 1
1 398 . 15 1 1 A 41 41 ALA CB C 41 16.779 17.704 -0.925 1
1 399 . 15 1 1 A 41 41 ALA N N 41 123.029 123.562 -0.533 1
1 400 . 15 1 1 A 42 42 ASN H H 42 8.264 8.648 -0.384 1
1 401 . 15 1 1 A 42 42 ASN HA H 42 4.521 4.447 0.074 1
1 406 . 15 1 1 A 42 42 ASN C C 42 178.220 177.548 0.672 1
1 407 . 15 1 1 A 42 42 ASN CA C 42 56.193 55.723 0.470 1
1 408 . 15 1 1 A 42 42 ASN CB C 42 37.775 37.794 -0.019 1
1 409 . 15 1 1 A 42 42 ASN N N 42 115.462 117.884 -2.422 1
1 411 . 15 1 1 A 43 43 ALA H H 43 8.403 7.685 0.718 1
1 412 . 15 1 1 A 43 43 ALA HA H 43 4.273 4.072 0.201 1
1 416 . 15 1 1 A 43 43 ALA C C 43 180.962 180.042 0.920 1
1 417 . 15 1 1 A 43 43 ALA CA C 43 55.200 55.115 0.085 1
1 418 . 15 1 1 A 43 43 ALA CB C 43 18.478 18.044 0.434 1
1 419 . 15 1 1 A 43 43 ALA N N 43 125.139 122.420 2.719 1
1 420 . 15 1 1 A 44 44 CYS H H 44 8.457 7.719 0.738 1
1 421 . 15 1 1 A 44 44 CYS HA H 44 4.156 4.128 0.028 1
1 424 . 15 1 1 A 44 44 CYS C C 44 176.534 177.133 -0.599 1
1 425 . 15 1 1 A 44 44 CYS CA C 44 64.768 63.680 1.088 1
1 426 . 15 1 1 A 44 44 CYS CB C 44 27.644 26.936 0.708 1
1 427 . 15 1 1 A 44 44 CYS N N 44 116.609 116.229 0.380 1
1 428 . 15 1 1 A 45 45 ASN H H 45 8.346 7.826 0.520 1
1 429 . 15 1 1 A 45 45 ASN HA H 45 4.613 4.517 0.096 1
1 434 . 15 1 1 A 45 45 ASN C C 45 177.631 177.701 -0.070 1
1 435 . 15 1 1 A 45 45 ASN CA C 45 55.723 56.114 -0.391 1
1 436 . 15 1 1 A 45 45 ASN CB C 45 37.526 37.963 -0.437 1
1 437 . 15 1 1 A 45 45 ASN N N 45 117.491 118.488 -0.997 1
1 439 . 15 1 1 A 46 46 ALA H H 46 8.014 7.694 0.320 1
1 440 . 15 1 1 A 46 46 ALA HA H 46 4.200 4.083 0.117 1
1 444 . 15 1 1 A 46 46 ALA C C 46 180.292 179.632 0.660 1
1 445 . 15 1 1 A 46 46 ALA CA C 46 54.805 55.122 -0.317 1
1 446 . 15 1 1 A 46 46 ALA CB C 46 18.283 18.413 -0.130 1
1 447 . 15 1 1 A 46 46 ALA N N 46 120.198 123.513 -3.315 1
1 448 . 15 1 1 A 47 47 VAL H H 47 7.240 8.058 -0.818 1
1 449 . 15 1 1 A 47 47 VAL HA H 47 4.306 3.807 0.499 1
1 457 . 15 1 1 A 47 47 VAL C C 47 177.083 177.321 -0.238 1
1 458 . 15 1 1 A 47 47 VAL CA C 47 63.484 65.513 -2.029 1
1 459 . 15 1 1 A 47 47 VAL CB C 47 31.935 31.507 0.428 1
1 462 . 15 1 1 A 47 47 VAL N N 47 110.165 116.461 -6.296 1
1 463 . 15 1 1 A 48 48 ILE H H 48 7.146 7.339 -0.193 1
1 464 . 15 1 1 A 48 48 ILE HA H 48 4.473 4.329 0.144 1
1 474 . 15 1 1 A 48 48 ILE C C 48 175.966 176.043 -0.077 1
1 475 . 15 1 1 A 48 48 ILE CA C 48 62.055 62.668 -0.613 1
1 476 . 15 1 1 A 48 48 ILE CB C 48 39.444 38.500 0.944 1
1 480 . 15 1 1 A 48 48 ILE N N 48 112.085 116.787 -4.702 1
1 481 . 15 1 1 A 49 49 GLN H H 49 7.671 8.068 -0.397 1
1 482 . 15 1 1 A 49 49 GLN HA H 49 4.254 4.145 0.109 1
1 489 . 15 1 1 A 49 49 GLN C C 49 175.417 175.450 -0.033 1
1 490 . 15 1 1 A 49 49 GLN CA C 49 56.370 56.157 0.213 1
1 491 . 15 1 1 A 49 49 GLN CB C 49 29.289 28.907 0.382 1
1 493 . 15 1 1 A 49 49 GLN N N 49 123.076 123.309 -0.233 1
1 495 . 15 1 1 A 50 50 LYS H H 50 8.932 8.614 0.318 1
1 496 . 15 1 1 A 50 50 LYS HA H 50 4.760 4.739 0.021 1
1 502 . 15 1 1 A 50 50 LYS C C 50 174.497 174.170 0.327 1
1 503 . 15 1 1 A 50 50 LYS CA C 50 53.341 53.208 0.133 1
1 504 . 15 1 1 A 50 50 LYS CB C 50 32.860 33.258 -0.398 1
1 506 . 15 1 1 A 50 50 LYS N N 50 127.505 126.366 1.139 1
1 507 . 15 1 1 A 51 51 PRO HA H 51 4.328 4.300 0.028 1
1 514 . 15 1 1 A 51 51 PRO CA C 51 64.015 63.730 0.285 1
1 515 . 15 1 1 A 51 51 PRO CB C 51 31.590 31.281 0.309 1
1 518 . 15 1 1 A 52 52 GLY H H 52 8.752 8.777 -0.025 1
1 519 . 15 1 1 A 52 52 GLY HA2 H 52 4.113 3.972 0.141 1
1 520 . 15 1 1 A 52 52 GLY HA3 H 52 3.728 3.972 -0.244 1
1 521 . 15 1 1 A 52 52 GLY C C 52 173.732 173.443 0.289 1
1 522 . 15 1 1 A 52 52 GLY CA C 52 45.646 45.664 -0.018 1
1 523 . 15 1 1 A 53 53 LYS H H 53 7.734 7.557 0.177 1
1 524 . 15 1 1 A 53 53 LYS HA H 53 4.621 4.868 -0.247 1
1 531 . 15 1 1 A 53 53 LYS C C 53 175.681 174.318 1.363 1
1 532 . 15 1 1 A 53 53 LYS CA C 53 54.451 54.149 0.302 1
1 533 . 15 1 1 A 53 53 LYS CB C 53 34.466 35.810 -1.344 1
1 537 . 15 1 1 A 53 53 LYS N N 53 120.205 120.118 0.087 1
1 538 . 15 1 1 A 54 54 LYS H H 54 8.536 8.757 -0.221 1
1 539 . 15 1 1 A 54 54 LYS HA H 54 4.412 5.007 -0.595 1
1 546 . 15 1 1 A 54 54 LYS C C 54 177.022 176.098 0.924 1
1 547 . 15 1 1 A 54 54 LYS CA C 54 55.691 54.551 1.140 1
1 548 . 15 1 1 A 54 54 LYS CB C 54 33.453 35.237 -1.784 1
1 552 . 15 1 1 A 54 54 LYS N N 54 124.424 124.063 0.361 1
1 553 . 15 1 1 A 55 55 LEU H H 55 8.656 8.634 0.022 1
1 554 . 15 1 1 A 55 55 LEU HA H 55 4.407 4.294 0.113 1
1 564 . 15 1 1 A 55 55 LEU C C 55 177.448 176.582 0.866 1
1 565 . 15 1 1 A 55 55 LEU CA C 55 54.670 55.001 -0.331 1
1 566 . 15 1 1 A 55 55 LEU CB C 55 43.243 42.389 0.854 1
1 570 . 15 1 1 A 55 55 LEU N N 55 126.145 127.502 -1.357 1
1 571 . 15 1 1 A 56 56 SER H H 56 9.313 8.777 0.536 1
1 572 . 15 1 1 A 56 56 SER HA H 56 4.496 4.734 -0.238 1
1 575 . 15 1 1 A 56 56 SER C C 56 175.226 174.804 0.422 1
1 576 . 15 1 1 A 56 56 SER CA C 56 57.507 57.253 0.254 1
1 577 . 15 1 1 A 56 56 SER CB C 56 64.802 65.731 -0.929 1
1 578 . 15 1 1 A 56 56 SER N N 56 121.790 117.348 4.442 1
1 579 . 15 1 1 A 57 57 ASP H H 57 8.929 9.179 -0.250 1
1 580 . 15 1 1 A 57 57 ASP HA H 57 4.314 4.299 0.015 1
1 583 . 15 1 1 A 57 57 ASP C C 57 177.855 178.286 -0.431 1
1 584 . 15 1 1 A 57 57 ASP CA C 57 57.403 56.896 0.507 1
1 585 . 15 1 1 A 57 57 ASP CB C 57 40.353 40.295 0.058 1
1 586 . 15 1 1 A 58 58 LEU H H 58 7.824 7.897 -0.073 1
1 587 . 15 1 1 A 58 58 LEU HA H 58 4.194 4.052 0.142 1
1 597 . 15 1 1 A 58 58 LEU C C 58 177.509 178.139 -0.630 1
1 598 . 15 1 1 A 58 58 LEU CA C 58 56.754 57.504 -0.750 1
1 599 . 15 1 1 A 58 58 LEU CB C 58 42.259 41.533 0.726 1
1 603 . 15 1 1 A 58 58 LEU N N 58 117.552 120.338 -2.786 1
1 604 . 15 1 1 A 59 59 GLU H H 59 7.325 7.465 -0.140 1
1 605 . 15 1 1 A 59 59 GLU HA H 59 4.286 4.470 -0.184 1
1 610 . 15 1 1 A 59 59 GLU C C 59 175.661 176.714 -1.053 1
1 611 . 15 1 1 A 59 59 GLU CA C 59 56.370 55.822 0.548 1
1 612 . 15 1 1 A 59 59 GLU CB C 59 32.314 30.543 1.771 1
1 614 . 15 1 1 A 59 59 GLU N N 59 115.631 116.099 -0.468 1
1 615 . 15 1 1 A 60 60 ARG H H 60 7.408 7.641 -0.233 1
1 616 . 15 1 1 A 60 60 ARG HA H 60 3.948 4.515 -0.567 1
1 623 . 15 1 1 A 60 60 ARG C C 60 175.194 175.000 0.194 1
1 624 . 15 1 1 A 60 60 ARG CA C 60 57.167 56.481 0.686 1
1 625 . 15 1 1 A 60 60 ARG CB C 60 31.083 30.483 0.600 1
1 628 . 15 1 1 A 60 60 ARG N N 60 118.018 123.115 -5.097 1
1 629 . 15 1 1 A 61 61 VAL H H 61 10.175 8.804 1.371 1
1 630 . 15 1 1 A 61 61 VAL HA H 61 3.462 4.246 -0.784 1
1 638 . 15 1 1 A 61 61 VAL C C 61 175.681 176.241 -0.560 1
1 639 . 15 1 1 A 61 61 VAL CA C 61 65.077 62.707 2.370 1
1 640 . 15 1 1 A 61 61 VAL CB C 61 31.702 31.528 0.174 1
1 643 . 15 1 1 A 61 61 VAL N N 61 128.658 127.983 0.675 1
1 644 . 15 1 1 A 62 62 THR H H 62 6.270 8.462 -2.192 1
1 645 . 15 1 1 A 62 62 THR HA H 62 4.780 4.765 0.015 1
1 650 . 15 1 1 A 62 62 THR C C 62 175.064 176.149 -1.085 1
1 651 . 15 1 1 A 62 62 THR CA C 62 58.600 60.258 -1.658 1
1 652 . 15 1 1 A 62 62 THR CB C 62 72.355 71.527 0.828 1
1 654 . 15 1 1 A 62 62 THR N N 62 114.178 119.988 -5.810 1
1 655 . 15 1 1 A 63 63 SER HA H 63 3.869 4.122 -0.253 1
1 658 . 15 1 1 A 63 63 SER C C 63 176.656 176.523 0.133 1
1 659 . 15 1 1 A 63 63 SER CA C 63 61.433 62.001 -0.568 1
1 660 . 15 1 1 A 63 63 SER CB C 63 62.197 62.539 -0.342 1
1 661 . 15 1 1 A 64 64 LEU H H 64 8.062 8.041 0.021 1
1 662 . 15 1 1 A 64 64 LEU HA H 64 4.367 4.159 0.208 1
1 672 . 15 1 1 A 64 64 LEU C C 64 178.789 179.154 -0.365 1
1 673 . 15 1 1 A 64 64 LEU CA C 64 57.964 57.831 0.133 1
1 674 . 15 1 1 A 64 64 LEU CB C 64 42.052 41.717 0.335 1
1 678 . 15 1 1 A 64 64 LEU N N 64 123.294 124.645 -1.351 1
1 679 . 15 1 1 A 65 65 LYS H H 65 7.524 7.782 -0.258 1
1 680 . 15 1 1 A 65 65 LYS HA H 65 4.292 4.091 0.201 1
1 689 . 15 1 1 A 65 65 LYS C C 65 180.779 179.593 1.186 1
1 690 . 15 1 1 A 65 65 LYS CA C 65 60.266 59.570 0.696 1
1 691 . 15 1 1 A 65 65 LYS CB C 65 32.808 32.480 0.328 1
1 695 . 15 1 1 A 65 65 LYS N N 65 119.262 119.042 0.220 1
1 696 . 15 1 1 A 66 66 VAL H H 66 8.290 7.709 0.581 1
1 697 . 15 1 1 A 66 66 VAL HA H 66 4.075 3.827 0.248 1
1 705 . 15 1 1 A 66 66 VAL C C 66 177.509 177.816 -0.307 1
1 706 . 15 1 1 A 66 66 VAL CA C 66 66.963 66.465 0.498 1
1 707 . 15 1 1 A 66 66 VAL CB C 66 32.419 31.695 0.724 1
1 710 . 15 1 1 A 66 66 VAL N N 66 119.900 120.346 -0.446 1
1 711 . 15 1 1 A 67 67 TYR H H 67 8.893 8.150 0.743 1
1 712 . 15 1 1 A 67 67 TYR HA H 67 3.857 4.171 -0.314 1
1 719 . 15 1 1 A 67 67 TYR C C 67 177.956 178.119 -0.163 1
1 720 . 15 1 1 A 67 67 TYR CA C 67 62.897 61.631 1.266 1
1 721 . 15 1 1 A 67 67 TYR CB C 67 38.326 38.715 -0.389 1
1 726 . 15 1 1 A 67 67 TYR N N 67 120.861 121.205 -0.344 1
1 727 . 15 1 1 A 68 68 ASN H H 68 8.561 8.126 0.435 1
1 728 . 15 1 1 A 68 68 ASN HA H 68 4.545 4.507 0.038 1
1 733 . 15 1 1 A 68 68 ASN C C 68 177.570 178.311 -0.741 1
1 734 . 15 1 1 A 68 68 ASN CA C 68 56.222 56.667 -0.445 1
1 735 . 15 1 1 A 68 68 ASN CB C 68 38.465 38.450 0.015 1
1 736 . 15 1 1 A 68 68 ASN N N 68 117.386 117.149 0.237 1
1 738 . 15 1 1 A 69 69 TRP H H 69 8.655 8.163 0.492 1
1 739 . 15 1 1 A 69 69 TRP HA H 69 4.151 4.369 -0.218 1
1 748 . 15 1 1 A 69 69 TRP C C 69 179.764 178.239 1.525 1
1 749 . 15 1 1 A 69 69 TRP CA C 69 63.194 61.471 1.723 1
1 750 . 15 1 1 A 69 69 TRP CB C 69 29.720 29.519 0.201 1
1 756 . 15 1 1 A 69 69 TRP N N 69 123.454 122.744 0.710 1
1 758 . 15 1 1 A 70 70 PHE H H 70 9.166 8.459 0.707 1
1 759 . 15 1 1 A 70 70 PHE HA H 70 3.745 4.481 -0.736 1
1 767 . 15 1 1 A 70 70 PHE C C 70 177.469 178.344 -0.875 1
1 768 . 15 1 1 A 70 70 PHE CA C 70 62.862 61.806 1.056 1
1 769 . 15 1 1 A 70 70 PHE CB C 70 39.115 38.074 1.041 1
1 775 . 15 1 1 A 70 70 PHE N N 70 120.259 118.353 1.906 1
1 776 . 15 1 1 A 71 71 ALA H H 71 8.169 8.462 -0.293 1
1 777 . 15 1 1 A 71 71 ALA HA H 71 3.868 4.023 -0.155 1
1 781 . 15 1 1 A 71 71 ALA C C 71 180.698 180.079 0.619 1
1 782 . 15 1 1 A 71 71 ALA CA C 71 55.307 55.105 0.202 1
1 783 . 15 1 1 A 71 71 ALA CB C 71 17.697 17.955 -0.258 1
1 784 . 15 1 1 A 71 71 ALA N N 71 120.051 122.647 -2.596 1
1 785 . 15 1 1 A 72 72 ASN H H 72 7.789 7.752 0.037 1
1 786 . 15 1 1 A 72 72 ASN HA H 72 4.280 4.310 -0.030 1
1 791 . 15 1 1 A 72 72 ASN C C 72 177.022 177.540 -0.518 1
1 792 . 15 1 1 A 72 72 ASN CA C 72 56.222 56.086 0.136 1
1 793 . 15 1 1 A 72 72 ASN CB C 72 38.363 38.619 -0.256 1
1 794 . 15 1 1 A 72 72 ASN N N 72 116.515 116.318 0.197 1
1 796 . 15 1 1 A 73 73 ARG H H 73 7.999 7.426 0.573 1
1 797 . 15 1 1 A 73 73 ARG HA H 73 3.416 3.656 -0.240 1
1 805 . 15 1 1 A 73 73 ARG C C 73 178.708 178.803 -0.095 1
1 806 . 15 1 1 A 73 73 ARG CA C 73 57.403 59.029 -1.626 1
1 807 . 15 1 1 A 73 73 ARG CB C 73 28.264 29.287 -1.023 1
1 810 . 15 1 1 A 73 73 ARG N N 73 123.203 119.589 3.614 1
1 812 . 15 1 1 A 74 74 ARG H H 74 8.033 7.998 0.035 1
1 813 . 15 1 1 A 74 74 ARG HA H 74 4.017 4.176 -0.159 1
1 820 . 15 1 1 A 74 74 ARG C C 74 178.850 179.055 -0.205 1
1 821 . 15 1 1 A 74 74 ARG CA C 74 60.414 59.209 1.205 1
1 822 . 15 1 1 A 74 74 ARG CB C 74 31.221 29.976 1.245 1
1 825 . 15 1 1 A 74 74 ARG N N 74 116.187 119.129 -2.942 1
1 826 . 15 1 1 A 75 75 LYS H H 75 7.359 8.117 -0.758 1
1 827 . 15 1 1 A 75 75 LYS HA H 75 4.054 4.044 0.010 1
1 834 . 15 1 1 A 75 75 LYS C C 75 178.301 178.605 -0.304 1
1 835 . 15 1 1 A 75 75 LYS CA C 75 58.908 59.305 -0.397 1
1 836 . 15 1 1 A 75 75 LYS CB C 75 32.463 31.953 0.510 1
1 840 . 15 1 1 A 75 75 LYS N N 75 118.329 118.719 -0.390 1
1 841 . 15 1 1 A 76 76 GLU H H 76 7.769 7.737 0.032 1
1 842 . 15 1 1 A 76 76 GLU HA H 76 4.051 4.015 0.036 1
1 847 . 15 1 1 A 76 76 GLU C C 76 178.261 179.120 -0.859 1
1 848 . 15 1 1 A 76 76 GLU CA C 76 58.200 59.069 -0.869 1
1 849 . 15 1 1 A 76 76 GLU CB C 76 29.841 29.309 0.532 1
1 851 . 15 1 1 A 76 76 GLU N N 76 119.947 119.056 0.891 1
1 852 . 15 1 1 A 77 77 ILE H H 77 7.826 7.658 0.168 1
1 853 . 15 1 1 A 77 77 ILE HA H 77 3.856 3.791 0.065 1
1 863 . 15 1 1 A 77 77 ILE C C 77 177.794 177.536 0.258 1
1 864 . 15 1 1 A 77 77 ILE CA C 77 63.454 64.239 -0.785 1
1 865 . 15 1 1 A 77 77 ILE CB C 77 38.016 37.569 0.447 1
1 869 . 15 1 1 A 77 77 ILE N N 77 119.278 117.305 1.973 1
1 870 . 15 1 1 A 78 78 LYS H H 78 7.802 8.335 -0.533 1
1 871 . 15 1 1 A 78 78 LYS HA H 78 4.196 4.035 0.161 1
1 878 . 15 1 1 A 78 78 LYS C C 78 177.591 178.886 -1.295 1
1 879 . 15 1 1 A 78 78 LYS CA C 78 57.728 59.031 -1.303 1
1 880 . 15 1 1 A 78 78 LYS CB C 78 32.601 32.020 0.581 1
1 884 . 15 1 1 A 78 78 LYS N N 78 122.041 122.366 -0.325 1
1 885 . 15 1 1 A 79 79 ARG H H 79 8.053 8.280 -0.227 1
1 886 . 15 1 1 A 79 79 ARG HA H 79 4.196 4.055 0.141 1
1 891 . 15 1 1 A 79 79 ARG C C 79 177.448 178.414 -0.966 1
1 892 . 15 1 1 A 79 79 ARG CA C 79 57.639 59.398 -1.759 1
1 893 . 15 1 1 A 79 79 ARG CB C 79 30.531 29.981 0.550 1
1 896 . 15 1 1 A 79 79 ARG N N 79 120.496 119.612 0.884 1
1 897 . 15 1 1 A 80 80 ARG H H 80 8.083 7.515 0.568 1
1 898 . 15 1 1 A 80 80 ARG HA H 80 4.193 4.070 0.123 1
1 904 . 15 1 1 A 80 80 ARG C C 80 176.786 178.220 -1.434 1
1 905 . 15 1 1 A 80 80 ARG CA C 80 57.196 58.759 -1.563 1
1 906 . 15 1 1 A 80 80 ARG CB C 80 30.531 29.724 0.807 1
1 909 . 15 1 1 A 80 80 ARG N N 80 120.092 119.056 1.036 1
1 910 . 15 1 1 A 81 81 ALA H H 81 8.062 7.724 0.338 1
1 911 . 15 1 1 A 81 81 ALA HA H 81 4.256 4.171 0.085 1
1 915 . 15 1 1 A 81 81 ALA C C 81 178.013 177.714 0.299 1
1 916 . 15 1 1 A 81 81 ALA CA C 81 53.141 53.245 -0.104 1
1 917 . 15 1 1 A 81 81 ALA CB C 81 19.003 18.964 0.039 1
1 918 . 15 1 1 A 81 81 ALA N N 81 123.434 121.192 2.242 1
1 919 . 15 1 1 A 82 82 ASN H H 82 8.219 7.590 0.629 1
1 920 . 15 1 1 A 82 82 ASN HA H 82 4.661 4.916 -0.255 1
1 925 . 15 1 1 A 82 82 ASN C C 82 175.620 174.946 0.674 1
1 926 . 15 1 1 A 82 82 ASN CA C 82 53.686 51.894 1.792 1
1 927 . 15 1 1 A 82 82 ASN CB C 82 38.672 38.352 0.320 1
1 928 . 15 1 1 A 82 82 ASN N N 82 117.551 116.246 1.305 1
1 930 . 15 1 1 A 83 83 ILE H H 83 7.949 7.853 0.096 1
1 931 . 15 1 1 A 83 83 ILE HA H 83 4.077 3.698 0.379 1
1 941 . 15 1 1 A 83 83 ILE C C 83 176.291 174.646 1.645 1
1 942 . 15 1 1 A 83 83 ILE CA C 83 61.695 62.573 -0.878 1
1 943 . 15 1 1 A 83 83 ILE CB C 83 38.672 36.715 1.957 1
1 947 . 15 1 1 A 83 83 ILE N N 83 120.666 117.729 2.937 1
1 948 . 15 1 1 A 84 84 ALA H H 84 8.184 7.435 0.749 1
1 949 . 15 1 1 A 84 84 ALA HA H 84 4.262 4.555 -0.293 1
1 953 . 15 1 1 A 84 84 ALA C C 84 177.794 176.001 1.793 1
1 954 . 15 1 1 A 84 84 ALA CA C 84 53.005 50.693 2.312 1
1 955 . 15 1 1 A 84 84 ALA CB C 84 18.941 18.520 0.421 1
1 956 . 15 1 1 A 84 84 ALA N N 84 126.306 124.404 1.902 1
1 957 . 15 1 1 A 85 85 ALA H H 85 8.019 8.370 -0.351 1
1 958 . 15 1 1 A 85 85 ALA HA H 85 4.263 4.458 -0.195 1
1 962 . 15 1 1 A 85 85 ALA C C 85 178.143 178.080 0.063 1
1 963 . 15 1 1 A 85 85 ALA CA C 85 52.857 52.165 0.692 1
1 964 . 15 1 1 A 85 85 ALA CB C 85 19.170 18.872 0.298 1
1 965 . 15 1 1 A 85 85 ALA N N 85 122.320 123.997 -1.677 1
1 966 . 15 1 1 A 86 86 ILE H H 86 7.959 9.067 -1.108 1
1 967 . 15 1 1 A 86 86 ILE HA H 86 4.077 4.375 -0.298 1
1 977 . 15 1 1 A 86 86 ILE C C 86 176.697 175.403 1.294 1
1 978 . 15 1 1 A 86 86 ILE CA C 86 61.654 60.872 0.782 1
1 979 . 15 1 1 A 86 86 ILE CB C 86 38.603 38.074 0.529 1
1 983 . 15 1 1 A 86 86 ILE N N 86 119.762 125.095 -5.333 1
1 984 . 15 1 1 A 87 87 LEU H H 87 8.219 7.489 0.730 1
1 985 . 15 1 1 A 87 87 LEU HA H 87 4.340 4.703 -0.363 1
1 995 . 15 1 1 A 87 87 LEU C C 87 177.616 175.155 2.461 1
1 996 . 15 1 1 A 87 87 LEU CA C 87 55.425 54.223 1.202 1
1 997 . 15 1 1 A 87 87 LEU CB C 87 42.328 43.155 -0.827 1
1 1001 . 15 1 1 A 87 87 LEU N N 87 125.404 125.357 0.047 1
1 1002 . 15 1 1 A 88 88 GLU H H 88 8.321 8.849 -0.528 1
1 1003 . 15 1 1 A 88 88 GLU HA H 88 4.287 4.834 -0.547 1
1 1008 . 15 1 1 A 88 88 GLU C C 88 176.636 175.753 0.883 1
1 1009 . 15 1 1 A 88 88 GLU CA C 88 56.872 54.318 2.554 1
1 1010 . 15 1 1 A 88 88 GLU CB C 88 30.186 33.237 -3.051 1
1 1012 . 15 1 1 A 88 88 GLU N N 88 121.673 126.924 -5.251 1
1 1013 . 15 1 1 A 89 89 SER H H 89 8.254 8.633 -0.379 1
1 1014 . 15 1 1 A 89 89 SER HA H 89 4.483 4.826 -0.343 1
1 1017 . 15 1 1 A 89 89 SER C C 89 174.693 174.065 0.628 1
1 1018 . 15 1 1 A 89 89 SER CA C 89 58.395 58.378 0.017 1
1 1019 . 15 1 1 A 89 89 SER CB C 89 64.017 63.939 0.078 1
1 1020 . 15 1 1 A 89 89 SER N N 89 116.276 118.151 -1.875 1
1 1021 . 15 1 1 A 90 90 SER H H 90 8.346 8.846 -0.500 1
1 1022 . 15 1 1 A 90 90 SER HA H 90 4.478 5.077 -0.599 1
1 1024 . 15 1 1 A 90 90 SER C C 90 174.564 174.173 0.391 1
1 1025 . 15 1 1 A 90 90 SER CA C 90 58.525 57.145 1.380 1
1 1026 . 15 1 1 A 90 90 SER CB C 90 64.129 65.929 -1.800 1
1 1027 . 15 1 1 A 90 90 SER N N 90 117.689 120.302 -2.613 1
1 1028 . 15 1 1 A 91 91 GLY H H 91 8.213 8.688 -0.475 1
1 1029 . 15 1 1 A 91 91 GLY HA2 H 91 4.112 4.008 0.104 1
1 1030 . 15 1 1 A 91 91 GLY HA3 H 91 4.112 4.008 0.104 1
1 1031 . 15 1 1 A 91 91 GLY C C 91 171.803 173.322 -1.519 1
1 1032 . 15 1 1 A 91 91 GLY CA C 91 44.743 44.816 -0.073 1
1 1033 . 15 1 1 A 91 91 GLY N N 91 110.570 111.474 -0.904 1
1 1034 . 15 1 1 A 92 92 PRO HA H 92 4.530 4.687 -0.157 1
1 1035 . 15 1 1 A 93 93 SER HA H 93 4.498 5.256 -0.758 1
1 1037 . 15 1 1 A 93 93 SER C C 93 173.981 173.419 0.562 1
1 1038 . 15 1 1 A 93 93 SER CA C 93 57.378 56.833 0.545 1
1 1039 . 15 1 1 A 93 93 SER CB C 93 58.505 65.188 -6.683 1
1 1040 . 15 1 1 A 94 94 SER H H 94 8.032 8.731 -0.699 1
1 1041 . 15 1 1 A 94 94 SER HA H 94 4.498 4.197 0.301 1
1 1043 . 15 1 1 A 94 94 SER C C 94 173.955 175.177 -1.222 1
1 1044 . 15 1 1 A 94 94 SER CA C 94 58.436 59.946 -1.510 1
1 1045 . 15 1 1 A 94 94 SER CB C 94 64.017 62.683 1.334 1
1 1046 . 15 1 1 A 94 94 SER N N 94 116.327 120.245 -3.918 1
1 1 . 16 1 1 A 11 11 ARG HA H 11 4.442 4.666 -0.224 1
1 6 . 16 1 1 A 11 11 ARG C C 11 175.365 176.026 -0.661 1
1 7 . 16 1 1 A 11 11 ARG CA C 11 55.738 57.278 -1.540 1
1 8 . 16 1 1 A 11 11 ARG CB C 11 31.419 32.426 -1.007 1
1 11 . 16 1 1 A 12 12 PHE H H 12 8.430 8.231 0.199 1
1 12 . 16 1 1 A 12 12 PHE HA H 12 4.481 5.115 -0.634 1
1 20 . 16 1 1 A 12 12 PHE C C 12 174.869 174.745 0.124 1
1 21 . 16 1 1 A 12 12 PHE CA C 12 58.525 55.419 3.106 1
1 22 . 16 1 1 A 12 12 PHE CB C 12 39.955 42.211 -2.256 1
1 28 . 16 1 1 A 12 12 PHE N N 12 123.637 116.260 7.377 1
1 29 . 16 1 1 A 13 13 THR H H 13 7.543 8.656 -1.113 1
1 30 . 16 1 1 A 13 13 THR HA H 13 4.216 4.138 0.078 1
1 35 . 16 1 1 A 13 13 THR C C 13 172.757 173.788 -1.031 1
1 36 . 16 1 1 A 13 13 THR CA C 13 60.703 63.270 -2.567 1
1 37 . 16 1 1 A 13 13 THR CB C 13 70.578 69.595 0.983 1
1 39 . 16 1 1 A 13 13 THR N N 13 122.237 118.133 4.104 1
1 40 . 16 1 1 A 14 14 TRP H H 14 8.427 8.820 -0.393 1
1 41 . 16 1 1 A 14 14 TRP HA H 14 4.195 4.719 -0.524 1
1 50 . 16 1 1 A 14 14 TRP C C 14 177.225 176.099 1.126 1
1 51 . 16 1 1 A 14 14 TRP CA C 14 57.137 56.021 1.116 1
1 52 . 16 1 1 A 14 14 TRP CB C 14 29.919 31.626 -1.707 1
1 58 . 16 1 1 A 14 14 TRP N N 14 125.363 127.219 -1.856 1
1 60 . 16 1 1 A 15 15 ARG H H 15 8.790 9.080 -0.290 1
1 61 . 16 1 1 A 15 15 ARG HA H 15 4.436 4.625 -0.189 1
1 67 . 16 1 1 A 15 15 ARG C C 15 176.254 177.835 -1.581 1
1 68 . 16 1 1 A 15 15 ARG CA C 15 54.848 54.842 0.006 1
1 69 . 16 1 1 A 15 15 ARG CB C 15 30.217 32.354 -2.137 1
1 72 . 16 1 1 A 15 15 ARG N N 15 124.453 122.343 2.110 1
1 73 . 16 1 1 A 16 16 LYS H H 16 7.990 9.031 -1.041 1
1 74 . 16 1 1 A 16 16 LYS HA H 16 3.949 3.931 0.018 1
1 81 . 16 1 1 A 16 16 LYS C C 16 179.133 178.179 0.954 1
1 82 . 16 1 1 A 16 16 LYS CA C 16 60.206 59.515 0.691 1
1 83 . 16 1 1 A 16 16 LYS CB C 16 32.102 32.175 -0.073 1
1 87 . 16 1 1 A 16 16 LYS N N 16 120.654 124.291 -3.637 1
1 88 . 16 1 1 A 17 17 GLU H H 17 10.775 8.210 2.565 1
1 89 . 16 1 1 A 17 17 GLU HA H 17 4.126 4.031 0.095 1
1 94 . 16 1 1 A 17 17 GLU C C 17 179.581 179.096 0.485 1
1 95 . 16 1 1 A 17 17 GLU CA C 17 60.262 59.433 0.829 1
1 96 . 16 1 1 A 17 17 GLU CB C 17 28.944 29.667 -0.723 1
1 98 . 16 1 1 A 17 17 GLU N N 17 119.914 119.435 0.479 1
1 99 . 16 1 1 A 18 18 CYS H H 18 7.314 8.347 -1.033 1
1 100 . 16 1 1 A 18 18 CYS HA H 18 4.166 4.303 -0.137 1
1 103 . 16 1 1 A 18 18 CYS C C 18 176.250 177.493 -1.243 1
1 104 . 16 1 1 A 18 18 CYS CA C 18 61.093 63.061 -1.968 1
1 105 . 16 1 1 A 18 18 CYS CB C 18 27.636 27.057 0.579 1
1 106 . 16 1 1 A 18 18 CYS N N 18 115.339 118.967 -3.628 1
1 107 . 16 1 1 A 19 19 LEU H H 19 7.975 8.417 -0.442 1
1 108 . 16 1 1 A 19 19 LEU HA H 19 3.365 3.557 -0.192 1
1 118 . 16 1 1 A 19 19 LEU C C 19 178.119 178.593 -0.474 1
1 119 . 16 1 1 A 19 19 LEU CA C 19 58.084 57.695 0.389 1
1 120 . 16 1 1 A 19 19 LEU CB C 19 40.713 40.969 -0.256 1
1 124 . 16 1 1 A 19 19 LEU N N 19 120.346 123.084 -2.738 1
1 125 . 16 1 1 A 20 20 ALA H H 20 7.481 8.053 -0.572 1
1 126 . 16 1 1 A 20 20 ALA HA H 20 4.079 3.911 0.168 1
1 130 . 16 1 1 A 20 20 ALA C C 20 180.800 179.926 0.874 1
1 131 . 16 1 1 A 20 20 ALA CA C 20 55.172 55.334 -0.162 1
1 132 . 16 1 1 A 20 20 ALA CB C 20 17.975 17.983 -0.008 1
1 133 . 16 1 1 A 20 20 ALA N N 20 119.101 122.056 -2.955 1
1 134 . 16 1 1 A 21 21 VAL H H 21 6.932 7.459 -0.527 1
1 135 . 16 1 1 A 21 21 VAL HA H 21 3.752 3.453 0.299 1
1 143 . 16 1 1 A 21 21 VAL C C 21 178.850 178.159 0.691 1
1 144 . 16 1 1 A 21 21 VAL CA C 21 66.018 66.935 -0.917 1
1 145 . 16 1 1 A 21 21 VAL CB C 21 32.168 31.428 0.740 1
1 148 . 16 1 1 A 21 21 VAL N N 21 118.965 118.147 0.818 1
1 149 . 16 1 1 A 22 22 MET H H 22 7.925 7.540 0.385 1
1 150 . 16 1 1 A 22 22 MET HA H 22 3.894 4.146 -0.252 1
1 158 . 16 1 1 A 22 22 MET C C 22 177.997 178.521 -0.524 1
1 159 . 16 1 1 A 22 22 MET CA C 22 60.060 58.854 1.206 1
1 160 . 16 1 1 A 22 22 MET CB C 22 30.494 32.272 -1.778 1
1 163 . 16 1 1 A 22 22 MET N N 22 118.668 117.497 1.171 1
1 164 . 16 1 1 A 23 23 GLU H H 23 8.452 7.698 0.754 1
1 165 . 16 1 1 A 23 23 GLU HA H 23 4.048 4.141 -0.093 1
1 170 . 16 1 1 A 23 23 GLU C C 23 178.809 179.229 -0.420 1
1 171 . 16 1 1 A 23 23 GLU CA C 23 59.676 59.204 0.472 1
1 172 . 16 1 1 A 23 23 GLU CB C 23 29.289 29.335 -0.046 1
1 174 . 16 1 1 A 23 23 GLU N N 23 118.239 118.878 -0.639 1
1 175 . 16 1 1 A 24 24 SER H H 24 7.431 7.510 -0.079 1
1 176 . 16 1 1 A 24 24 SER HA H 24 4.279 4.271 0.008 1
1 179 . 16 1 1 A 24 24 SER C C 24 177.916 177.159 0.757 1
1 180 . 16 1 1 A 24 24 SER CA C 24 61.785 61.587 0.198 1
1 181 . 16 1 1 A 24 24 SER CB C 24 62.616 63.031 -0.415 1
1 182 . 16 1 1 A 24 24 SER N N 24 113.792 115.943 -2.151 1
1 183 . 16 1 1 A 25 25 TYR H H 25 7.845 8.157 -0.312 1
1 184 . 16 1 1 A 25 25 TYR HA H 25 4.354 4.330 0.024 1
1 191 . 16 1 1 A 25 25 TYR C C 25 178.789 179.012 -0.223 1
1 192 . 16 1 1 A 25 25 TYR CA C 25 63.193 60.843 2.350 1
1 193 . 16 1 1 A 25 25 TYR CB C 25 38.706 38.113 0.593 1
1 198 . 16 1 1 A 25 25 TYR N N 25 120.184 119.282 0.902 1
1 199 . 16 1 1 A 26 26 PHE H H 26 9.279 8.479 0.800 1
1 200 . 16 1 1 A 26 26 PHE HA H 26 4.237 4.784 -0.547 1
1 208 . 16 1 1 A 26 26 PHE C C 26 175.885 178.050 -2.165 1
1 209 . 16 1 1 A 26 26 PHE CA C 26 62.008 61.479 0.529 1
1 210 . 16 1 1 A 26 26 PHE CB C 26 39.072 39.109 -0.037 1
1 216 . 16 1 1 A 26 26 PHE N N 26 123.634 120.606 3.028 1
1 217 . 16 1 1 A 27 27 ASN H H 27 7.807 7.939 -0.132 1
1 218 . 16 1 1 A 27 27 ASN HA H 27 4.409 4.520 -0.111 1
1 223 . 16 1 1 A 27 27 ASN C C 27 176.108 177.397 -1.289 1
1 224 . 16 1 1 A 27 27 ASN CA C 27 55.307 56.385 -1.078 1
1 225 . 16 1 1 A 27 27 ASN CB C 27 38.810 38.000 0.810 1
1 226 . 16 1 1 A 27 27 ASN N N 27 112.896 117.550 -4.654 1
1 228 . 16 1 1 A 28 28 GLU H H 28 7.431 7.924 -0.493 1
1 229 . 16 1 1 A 28 28 GLU HA H 28 4.274 4.288 -0.014 1
1 234 . 16 1 1 A 28 28 GLU C C 28 176.880 176.407 0.473 1
1 235 . 16 1 1 A 28 28 GLU CA C 28 57.875 58.007 -0.132 1
1 236 . 16 1 1 A 28 28 GLU CB C 28 30.965 29.648 1.317 1
1 238 . 16 1 1 A 28 28 GLU N N 28 117.899 114.733 3.166 1
1 239 . 16 1 1 A 29 29 ASN H H 29 7.950 8.136 -0.186 1
1 240 . 16 1 1 A 29 29 ASN HA H 29 4.562 4.991 -0.429 1
1 245 . 16 1 1 A 29 29 ASN C C 29 174.036 174.791 -0.755 1
1 246 . 16 1 1 A 29 29 ASN CA C 29 53.654 52.954 0.700 1
1 247 . 16 1 1 A 29 29 ASN CB C 29 39.361 40.870 -1.509 1
1 248 . 16 1 1 A 29 29 ASN N N 29 116.656 117.181 -0.525 1
1 250 . 16 1 1 A 30 30 GLN H H 30 8.658 8.388 0.270 1
1 251 . 16 1 1 A 30 30 GLN HA H 30 3.848 3.299 0.549 1
1 258 . 16 1 1 A 30 30 GLN C C 30 174.503 175.530 -1.027 1
1 259 . 16 1 1 A 30 30 GLN CA C 30 57.336 57.788 -0.452 1
1 260 . 16 1 1 A 30 30 GLN CB C 30 27.978 29.231 -1.253 1
1 262 . 16 1 1 A 30 30 GLN N N 30 122.486 123.130 -0.644 1
1 264 . 16 1 1 A 31 31 TYR H H 31 8.181 7.809 0.372 1
1 265 . 16 1 1 A 31 31 TYR HA H 31 4.769 5.164 -0.395 1
1 272 . 16 1 1 A 31 31 TYR C C 31 172.816 173.401 -0.585 1
1 273 . 16 1 1 A 31 31 TYR CA C 31 55.409 54.257 1.152 1
1 274 . 16 1 1 A 31 31 TYR CB C 31 38.938 39.016 -0.078 1
1 279 . 16 1 1 A 31 31 TYR N N 31 116.012 117.498 -1.486 1
1 280 . 16 1 1 A 32 32 PRO HA H 32 4.320 4.602 -0.282 1
1 287 . 16 1 1 A 32 32 PRO C C 32 177.530 176.882 0.648 1
1 288 . 16 1 1 A 32 32 PRO CA C 32 63.041 62.659 0.382 1
1 289 . 16 1 1 A 32 32 PRO CB C 32 31.052 31.808 -0.756 1
1 292 . 16 1 1 A 33 33 ASP H H 33 8.439 8.427 0.012 1
1 293 . 16 1 1 A 33 33 ASP HA H 33 4.475 4.738 -0.263 1
1 296 . 16 1 1 A 33 33 ASP C C 33 175.397 176.514 -1.117 1
1 297 . 16 1 1 A 33 33 ASP CA C 33 52.562 53.546 -0.984 1
1 298 . 16 1 1 A 33 33 ASP CB C 33 40.363 41.852 -1.489 1
1 299 . 16 1 1 A 33 33 ASP N N 33 125.278 120.958 4.320 1
1 300 . 16 1 1 A 34 34 GLU H H 34 8.644 9.067 -0.423 1
1 301 . 16 1 1 A 34 34 GLU HA H 34 3.613 3.911 -0.298 1
1 306 . 16 1 1 A 34 34 GLU C C 34 178.261 178.267 -0.006 1
1 307 . 16 1 1 A 34 34 GLU CA C 34 61.565 59.600 1.965 1
1 308 . 16 1 1 A 34 34 GLU CB C 34 29.289 29.241 0.048 1
1 310 . 16 1 1 A 34 34 GLU N N 34 118.756 120.854 -2.098 1
1 311 . 16 1 1 A 35 35 ALA H H 35 8.121 8.181 -0.060 1
1 312 . 16 1 1 A 35 35 ALA HA H 35 4.155 4.076 0.079 1
1 316 . 16 1 1 A 35 35 ALA C C 35 181.307 179.663 1.644 1
1 317 . 16 1 1 A 35 35 ALA CA C 35 54.953 55.147 -0.194 1
1 318 . 16 1 1 A 35 35 ALA CB C 35 17.975 18.254 -0.279 1
1 319 . 16 1 1 A 35 35 ALA N N 35 121.196 121.511 -0.315 1
1 320 . 16 1 1 A 36 36 LYS H H 36 8.448 7.663 0.785 1
1 321 . 16 1 1 A 36 36 LYS HA H 36 4.157 4.037 0.120 1
1 330 . 16 1 1 A 36 36 LYS C C 36 178.769 178.642 0.127 1
1 331 . 16 1 1 A 36 36 LYS CA C 36 56.576 59.641 -3.065 1
1 332 . 16 1 1 A 36 36 LYS CB C 36 29.689 32.318 -2.629 1
1 336 . 16 1 1 A 36 36 LYS N N 36 121.690 118.483 3.207 1
1 337 . 16 1 1 A 37 37 ARG H H 37 8.977 8.188 0.789 1
1 338 . 16 1 1 A 37 37 ARG HA H 37 3.711 3.952 -0.241 1
1 345 . 16 1 1 A 37 37 ARG C C 37 178.444 178.775 -0.331 1
1 346 . 16 1 1 A 37 37 ARG CA C 37 61.131 59.382 1.749 1
1 347 . 16 1 1 A 37 37 ARG CB C 37 30.941 29.732 1.209 1
1 350 . 16 1 1 A 37 37 ARG N N 37 117.588 118.879 -1.291 1
1 351 . 16 1 1 A 38 38 GLU H H 38 7.750 7.886 -0.136 1
1 352 . 16 1 1 A 38 38 GLU HA H 38 4.083 4.152 -0.069 1
1 357 . 16 1 1 A 38 38 GLU C C 38 178.301 179.712 -1.411 1
1 358 . 16 1 1 A 38 38 GLU CA C 38 59.321 58.370 0.951 1
1 359 . 16 1 1 A 38 38 GLU CB C 38 29.013 29.382 -0.369 1
1 361 . 16 1 1 A 38 38 GLU N N 38 119.080 119.428 -0.348 1
1 362 . 16 1 1 A 39 39 GLU H H 39 7.540 7.708 -0.168 1
1 363 . 16 1 1 A 39 39 GLU HA H 39 4.048 4.129 -0.081 1
1 368 . 16 1 1 A 39 39 GLU C C 39 179.784 178.666 1.118 1
1 369 . 16 1 1 A 39 39 GLU CA C 39 59.646 59.098 0.548 1
1 370 . 16 1 1 A 39 39 GLU CB C 39 29.409 29.698 -0.289 1
1 372 . 16 1 1 A 39 39 GLU N N 39 121.188 119.542 1.646 1
1 373 . 16 1 1 A 40 40 ILE H H 40 8.634 7.841 0.793 1
1 374 . 16 1 1 A 40 40 ILE HA H 40 3.133 3.475 -0.342 1
1 384 . 16 1 1 A 40 40 ILE C C 40 178.119 177.495 0.624 1
1 385 . 16 1 1 A 40 40 ILE CA C 40 65.462 63.356 2.106 1
1 386 . 16 1 1 A 40 40 ILE CB C 40 37.951 36.582 1.369 1
1 390 . 16 1 1 A 40 40 ILE N N 40 121.126 120.135 0.991 1
1 391 . 16 1 1 A 41 41 ALA H H 41 8.462 8.515 -0.053 1
1 392 . 16 1 1 A 41 41 ALA HA H 41 3.713 4.040 -0.327 1
1 396 . 16 1 1 A 41 41 ALA C C 41 178.850 180.499 -1.649 1
1 397 . 16 1 1 A 41 41 ALA CA C 41 56.014 55.800 0.214 1
1 398 . 16 1 1 A 41 41 ALA CB C 41 16.779 18.017 -1.238 1
1 399 . 16 1 1 A 41 41 ALA N N 41 123.029 123.367 -0.338 1
1 400 . 16 1 1 A 42 42 ASN H H 42 8.264 8.461 -0.197 1
1 401 . 16 1 1 A 42 42 ASN HA H 42 4.521 4.442 0.079 1
1 406 . 16 1 1 A 42 42 ASN C C 42 178.220 177.578 0.642 1
1 407 . 16 1 1 A 42 42 ASN CA C 42 56.193 55.869 0.324 1
1 408 . 16 1 1 A 42 42 ASN CB C 42 37.775 37.763 0.012 1
1 409 . 16 1 1 A 42 42 ASN N N 42 115.462 117.833 -2.371 1
1 411 . 16 1 1 A 43 43 ALA H H 43 8.403 7.578 0.825 1
1 412 . 16 1 1 A 43 43 ALA HA H 43 4.273 4.127 0.146 1
1 416 . 16 1 1 A 43 43 ALA C C 43 180.962 179.987 0.975 1
1 417 . 16 1 1 A 43 43 ALA CA C 43 55.200 55.096 0.104 1
1 418 . 16 1 1 A 43 43 ALA CB C 43 18.478 17.891 0.587 1
1 419 . 16 1 1 A 43 43 ALA N N 43 125.139 122.151 2.988 1
1 420 . 16 1 1 A 44 44 CYS H H 44 8.457 7.835 0.622 1
1 421 . 16 1 1 A 44 44 CYS HA H 44 4.156 4.138 0.018 1
1 424 . 16 1 1 A 44 44 CYS C C 44 176.534 177.114 -0.580 1
1 425 . 16 1 1 A 44 44 CYS CA C 44 64.768 63.657 1.111 1
1 426 . 16 1 1 A 44 44 CYS CB C 44 27.644 26.997 0.647 1
1 427 . 16 1 1 A 44 44 CYS N N 44 116.609 116.254 0.355 1
1 428 . 16 1 1 A 45 45 ASN H H 45 8.346 7.883 0.463 1
1 429 . 16 1 1 A 45 45 ASN HA H 45 4.613 4.501 0.112 1
1 434 . 16 1 1 A 45 45 ASN C C 45 177.631 177.747 -0.116 1
1 435 . 16 1 1 A 45 45 ASN CA C 45 55.723 56.105 -0.382 1
1 436 . 16 1 1 A 45 45 ASN CB C 45 37.526 37.983 -0.457 1
1 437 . 16 1 1 A 45 45 ASN N N 45 117.491 118.485 -0.994 1
1 439 . 16 1 1 A 46 46 ALA H H 46 8.014 7.660 0.354 1
1 440 . 16 1 1 A 46 46 ALA HA H 46 4.200 4.076 0.124 1
1 444 . 16 1 1 A 46 46 ALA C C 46 180.292 179.608 0.684 1
1 445 . 16 1 1 A 46 46 ALA CA C 46 54.805 55.072 -0.267 1
1 446 . 16 1 1 A 46 46 ALA CB C 46 18.283 18.325 -0.042 1
1 447 . 16 1 1 A 46 46 ALA N N 46 120.198 123.506 -3.308 1
1 448 . 16 1 1 A 47 47 VAL H H 47 7.240 8.052 -0.812 1
1 449 . 16 1 1 A 47 47 VAL HA H 47 4.306 3.810 0.496 1
1 457 . 16 1 1 A 47 47 VAL C C 47 177.083 177.194 -0.111 1
1 458 . 16 1 1 A 47 47 VAL CA C 47 63.484 65.244 -1.760 1
1 459 . 16 1 1 A 47 47 VAL CB C 47 31.935 31.558 0.377 1
1 462 . 16 1 1 A 47 47 VAL N N 47 110.165 116.391 -6.226 1
1 463 . 16 1 1 A 48 48 ILE H H 48 7.146 7.149 -0.003 1
1 464 . 16 1 1 A 48 48 ILE HA H 48 4.473 4.446 0.027 1
1 474 . 16 1 1 A 48 48 ILE C C 48 175.966 176.087 -0.121 1
1 475 . 16 1 1 A 48 48 ILE CA C 48 62.055 62.002 0.053 1
1 476 . 16 1 1 A 48 48 ILE CB C 48 39.444 38.699 0.745 1
1 480 . 16 1 1 A 48 48 ILE N N 48 112.085 116.525 -4.440 1
1 481 . 16 1 1 A 49 49 GLN H H 49 7.671 8.015 -0.344 1
1 482 . 16 1 1 A 49 49 GLN HA H 49 4.254 4.181 0.073 1
1 489 . 16 1 1 A 49 49 GLN C C 49 175.417 175.310 0.107 1
1 490 . 16 1 1 A 49 49 GLN CA C 49 56.370 56.275 0.095 1
1 491 . 16 1 1 A 49 49 GLN CB C 49 29.289 29.489 -0.200 1
1 493 . 16 1 1 A 49 49 GLN N N 49 123.076 123.517 -0.441 1
1 495 . 16 1 1 A 50 50 LYS H H 50 8.932 8.609 0.323 1
1 496 . 16 1 1 A 50 50 LYS HA H 50 4.760 4.832 -0.072 1
1 502 . 16 1 1 A 50 50 LYS C C 50 174.497 173.853 0.644 1
1 503 . 16 1 1 A 50 50 LYS CA C 50 53.341 53.006 0.335 1
1 504 . 16 1 1 A 50 50 LYS CB C 50 32.860 34.902 -2.042 1
1 506 . 16 1 1 A 50 50 LYS N N 50 127.505 125.590 1.915 1
1 507 . 16 1 1 A 51 51 PRO HA H 51 4.328 4.304 0.024 1
1 514 . 16 1 1 A 51 51 PRO CA C 51 64.015 63.750 0.265 1
1 515 . 16 1 1 A 51 51 PRO CB C 51 31.590 31.267 0.323 1
1 518 . 16 1 1 A 52 52 GLY H H 52 8.752 8.779 -0.027 1
1 519 . 16 1 1 A 52 52 GLY HA2 H 52 4.113 3.978 0.135 1
1 520 . 16 1 1 A 52 52 GLY HA3 H 52 3.728 3.978 -0.250 1
1 521 . 16 1 1 A 52 52 GLY C C 52 173.732 173.488 0.244 1
1 522 . 16 1 1 A 52 52 GLY CA C 52 45.646 45.680 -0.034 1
1 523 . 16 1 1 A 53 53 LYS H H 53 7.734 7.350 0.384 1
1 524 . 16 1 1 A 53 53 LYS HA H 53 4.621 4.768 -0.147 1
1 531 . 16 1 1 A 53 53 LYS C C 53 175.681 174.132 1.549 1
1 532 . 16 1 1 A 53 53 LYS CA C 53 54.451 54.610 -0.159 1
1 533 . 16 1 1 A 53 53 LYS CB C 53 34.466 35.602 -1.136 1
1 537 . 16 1 1 A 53 53 LYS N N 53 120.205 120.938 -0.733 1
1 538 . 16 1 1 A 54 54 LYS H H 54 8.536 8.765 -0.229 1
1 539 . 16 1 1 A 54 54 LYS HA H 54 4.412 5.004 -0.592 1
1 546 . 16 1 1 A 54 54 LYS C C 54 177.022 175.740 1.282 1
1 547 . 16 1 1 A 54 54 LYS CA C 54 55.691 54.597 1.094 1
1 548 . 16 1 1 A 54 54 LYS CB C 54 33.453 35.063 -1.610 1
1 552 . 16 1 1 A 54 54 LYS N N 54 124.424 126.622 -2.198 1
1 553 . 16 1 1 A 55 55 LEU H H 55 8.656 8.695 -0.039 1
1 554 . 16 1 1 A 55 55 LEU HA H 55 4.407 4.398 0.009 1
1 564 . 16 1 1 A 55 55 LEU C C 55 177.448 176.555 0.893 1
1 565 . 16 1 1 A 55 55 LEU CA C 55 54.670 54.693 -0.023 1
1 566 . 16 1 1 A 55 55 LEU CB C 55 43.243 42.115 1.128 1
1 570 . 16 1 1 A 55 55 LEU N N 55 126.145 127.404 -1.259 1
1 571 . 16 1 1 A 56 56 SER H H 56 9.313 8.477 0.836 1
1 572 . 16 1 1 A 56 56 SER HA H 56 4.496 4.788 -0.292 1
1 575 . 16 1 1 A 56 56 SER C C 56 175.226 174.796 0.430 1
1 576 . 16 1 1 A 56 56 SER CA C 56 57.507 56.285 1.222 1
1 577 . 16 1 1 A 56 56 SER CB C 56 64.802 64.849 -0.047 1
1 578 . 16 1 1 A 56 56 SER N N 56 121.790 118.458 3.332 1
1 579 . 16 1 1 A 57 57 ASP H H 57 8.929 9.115 -0.186 1
1 580 . 16 1 1 A 57 57 ASP HA H 57 4.314 4.276 0.038 1
1 583 . 16 1 1 A 57 57 ASP C C 57 177.855 178.073 -0.218 1
1 584 . 16 1 1 A 57 57 ASP CA C 57 57.403 56.975 0.428 1
1 585 . 16 1 1 A 57 57 ASP CB C 57 40.353 40.308 0.045 1
1 586 . 16 1 1 A 58 58 LEU H H 58 7.824 7.834 -0.010 1
1 587 . 16 1 1 A 58 58 LEU HA H 58 4.194 4.099 0.095 1
1 597 . 16 1 1 A 58 58 LEU C C 58 177.509 178.147 -0.638 1
1 598 . 16 1 1 A 58 58 LEU CA C 58 56.754 57.328 -0.574 1
1 599 . 16 1 1 A 58 58 LEU CB C 58 42.259 41.508 0.751 1
1 603 . 16 1 1 A 58 58 LEU N N 58 117.552 118.198 -0.646 1
1 604 . 16 1 1 A 59 59 GLU H H 59 7.325 7.645 -0.320 1
1 605 . 16 1 1 A 59 59 GLU HA H 59 4.286 4.436 -0.150 1
1 610 . 16 1 1 A 59 59 GLU C C 59 175.661 176.314 -0.653 1
1 611 . 16 1 1 A 59 59 GLU CA C 59 56.370 55.913 0.457 1
1 612 . 16 1 1 A 59 59 GLU CB C 59 32.314 30.835 1.479 1
1 614 . 16 1 1 A 59 59 GLU N N 59 115.631 116.325 -0.694 1
1 615 . 16 1 1 A 60 60 ARG H H 60 7.408 7.920 -0.512 1
1 616 . 16 1 1 A 60 60 ARG HA H 60 3.948 4.515 -0.567 1
1 623 . 16 1 1 A 60 60 ARG C C 60 175.194 175.309 -0.115 1
1 624 . 16 1 1 A 60 60 ARG CA C 60 57.167 56.313 0.854 1
1 625 . 16 1 1 A 60 60 ARG CB C 60 31.083 30.828 0.255 1
1 628 . 16 1 1 A 60 60 ARG N N 60 118.018 122.623 -4.605 1
1 629 . 16 1 1 A 61 61 VAL H H 61 10.175 8.928 1.247 1
1 630 . 16 1 1 A 61 61 VAL HA H 61 3.462 4.413 -0.951 1
1 638 . 16 1 1 A 61 61 VAL C C 61 175.681 175.942 -0.261 1
1 639 . 16 1 1 A 61 61 VAL CA C 61 65.077 61.523 3.554 1
1 640 . 16 1 1 A 61 61 VAL CB C 61 31.702 33.935 -2.233 1
1 643 . 16 1 1 A 61 61 VAL N N 61 128.658 125.620 3.038 1
1 644 . 16 1 1 A 62 62 THR H H 62 6.270 8.532 -2.262 1
1 645 . 16 1 1 A 62 62 THR HA H 62 4.780 4.773 0.007 1
1 650 . 16 1 1 A 62 62 THR C C 62 175.064 176.094 -1.030 1
1 651 . 16 1 1 A 62 62 THR CA C 62 58.600 60.078 -1.478 1
1 652 . 16 1 1 A 62 62 THR CB C 62 72.355 72.164 0.191 1
1 654 . 16 1 1 A 62 62 THR N N 62 114.178 119.700 -5.522 1
1 655 . 16 1 1 A 63 63 SER HA H 63 3.869 4.167 -0.298 1
1 658 . 16 1 1 A 63 63 SER C C 63 176.656 176.763 -0.107 1
1 659 . 16 1 1 A 63 63 SER CA C 63 61.433 61.966 -0.533 1
1 660 . 16 1 1 A 63 63 SER CB C 63 62.197 62.380 -0.183 1
1 661 . 16 1 1 A 64 64 LEU H H 64 8.062 8.142 -0.080 1
1 662 . 16 1 1 A 64 64 LEU HA H 64 4.367 4.167 0.200 1
1 672 . 16 1 1 A 64 64 LEU C C 64 178.789 179.066 -0.277 1
1 673 . 16 1 1 A 64 64 LEU CA C 64 57.964 57.778 0.186 1
1 674 . 16 1 1 A 64 64 LEU CB C 64 42.052 41.844 0.208 1
1 678 . 16 1 1 A 64 64 LEU N N 64 123.294 124.908 -1.614 1
1 679 . 16 1 1 A 65 65 LYS H H 65 7.524 7.812 -0.288 1
1 680 . 16 1 1 A 65 65 LYS HA H 65 4.292 4.072 0.220 1
1 689 . 16 1 1 A 65 65 LYS C C 65 180.779 179.680 1.099 1
1 690 . 16 1 1 A 65 65 LYS CA C 65 60.266 59.580 0.686 1
1 691 . 16 1 1 A 65 65 LYS CB C 65 32.808 32.309 0.499 1
1 695 . 16 1 1 A 65 65 LYS N N 65 119.262 118.904 0.358 1
1 696 . 16 1 1 A 66 66 VAL H H 66 8.290 7.838 0.452 1
1 697 . 16 1 1 A 66 66 VAL HA H 66 4.075 4.036 0.039 1
1 705 . 16 1 1 A 66 66 VAL C C 66 177.509 177.976 -0.467 1
1 706 . 16 1 1 A 66 66 VAL CA C 66 66.963 66.741 0.222 1
1 707 . 16 1 1 A 66 66 VAL CB C 66 32.419 31.652 0.767 1
1 710 . 16 1 1 A 66 66 VAL N N 66 119.900 120.604 -0.704 1
1 711 . 16 1 1 A 67 67 TYR H H 67 8.893 8.304 0.589 1
1 712 . 16 1 1 A 67 67 TYR HA H 67 3.857 4.262 -0.405 1
1 719 . 16 1 1 A 67 67 TYR C C 67 177.956 178.167 -0.211 1
1 720 . 16 1 1 A 67 67 TYR CA C 67 62.897 61.636 1.261 1
1 721 . 16 1 1 A 67 67 TYR CB C 67 38.326 38.611 -0.285 1
1 726 . 16 1 1 A 67 67 TYR N N 67 120.861 121.152 -0.291 1
1 727 . 16 1 1 A 68 68 ASN H H 68 8.561 8.175 0.386 1
1 728 . 16 1 1 A 68 68 ASN HA H 68 4.545 4.541 0.004 1
1 733 . 16 1 1 A 68 68 ASN C C 68 177.570 178.300 -0.730 1
1 734 . 16 1 1 A 68 68 ASN CA C 68 56.222 56.645 -0.423 1
1 735 . 16 1 1 A 68 68 ASN CB C 68 38.465 38.300 0.165 1
1 736 . 16 1 1 A 68 68 ASN N N 68 117.386 117.076 0.310 1
1 738 . 16 1 1 A 69 69 TRP H H 69 8.655 8.294 0.361 1
1 739 . 16 1 1 A 69 69 TRP HA H 69 4.151 4.326 -0.175 1
1 748 . 16 1 1 A 69 69 TRP C C 69 179.764 178.219 1.545 1
1 749 . 16 1 1 A 69 69 TRP CA C 69 63.194 61.543 1.651 1
1 750 . 16 1 1 A 69 69 TRP CB C 69 29.720 29.326 0.394 1
1 756 . 16 1 1 A 69 69 TRP N N 69 123.454 123.023 0.431 1
1 758 . 16 1 1 A 70 70 PHE H H 70 9.166 8.607 0.559 1
1 759 . 16 1 1 A 70 70 PHE HA H 70 3.745 4.397 -0.652 1
1 767 . 16 1 1 A 70 70 PHE C C 70 177.469 178.456 -0.987 1
1 768 . 16 1 1 A 70 70 PHE CA C 70 62.862 61.748 1.114 1
1 769 . 16 1 1 A 70 70 PHE CB C 70 39.115 37.925 1.190 1
1 775 . 16 1 1 A 70 70 PHE N N 70 120.259 118.339 1.920 1
1 776 . 16 1 1 A 71 71 ALA H H 71 8.169 8.522 -0.353 1
1 777 . 16 1 1 A 71 71 ALA HA H 71 3.868 4.003 -0.135 1
1 781 . 16 1 1 A 71 71 ALA C C 71 180.698 180.244 0.454 1
1 782 . 16 1 1 A 71 71 ALA CA C 71 55.307 54.955 0.352 1
1 783 . 16 1 1 A 71 71 ALA CB C 71 17.697 18.143 -0.446 1
1 784 . 16 1 1 A 71 71 ALA N N 71 120.051 122.607 -2.556 1
1 785 . 16 1 1 A 72 72 ASN H H 72 7.789 7.653 0.136 1
1 786 . 16 1 1 A 72 72 ASN HA H 72 4.280 4.297 -0.017 1
1 791 . 16 1 1 A 72 72 ASN C C 72 177.022 177.628 -0.606 1
1 792 . 16 1 1 A 72 72 ASN CA C 72 56.222 56.145 0.077 1
1 793 . 16 1 1 A 72 72 ASN CB C 72 38.363 38.361 0.002 1
1 794 . 16 1 1 A 72 72 ASN N N 72 116.515 116.447 0.068 1
1 796 . 16 1 1 A 73 73 ARG H H 73 7.999 7.390 0.609 1
1 797 . 16 1 1 A 73 73 ARG HA H 73 3.416 3.959 -0.543 1
1 805 . 16 1 1 A 73 73 ARG C C 73 178.708 178.866 -0.158 1
1 806 . 16 1 1 A 73 73 ARG CA C 73 57.403 58.990 -1.587 1
1 807 . 16 1 1 A 73 73 ARG CB C 73 28.264 29.386 -1.122 1
1 810 . 16 1 1 A 73 73 ARG N N 73 123.203 119.509 3.694 1
1 812 . 16 1 1 A 74 74 ARG H H 74 8.033 8.055 -0.022 1
1 813 . 16 1 1 A 74 74 ARG HA H 74 4.017 4.179 -0.162 1
1 820 . 16 1 1 A 74 74 ARG C C 74 178.850 179.067 -0.217 1
1 821 . 16 1 1 A 74 74 ARG CA C 74 60.414 59.203 1.211 1
1 822 . 16 1 1 A 74 74 ARG CB C 74 31.221 29.921 1.300 1
1 825 . 16 1 1 A 74 74 ARG N N 74 116.187 118.992 -2.805 1
1 826 . 16 1 1 A 75 75 LYS H H 75 7.359 7.934 -0.575 1
1 827 . 16 1 1 A 75 75 LYS HA H 75 4.054 4.042 0.012 1
1 834 . 16 1 1 A 75 75 LYS C C 75 178.301 178.602 -0.301 1
1 835 . 16 1 1 A 75 75 LYS CA C 75 58.908 59.280 -0.372 1
1 836 . 16 1 1 A 75 75 LYS CB C 75 32.463 31.936 0.527 1
1 840 . 16 1 1 A 75 75 LYS N N 75 118.329 118.747 -0.418 1
1 841 . 16 1 1 A 76 76 GLU H H 76 7.769 7.701 0.068 1
1 842 . 16 1 1 A 76 76 GLU HA H 76 4.051 4.017 0.034 1
1 847 . 16 1 1 A 76 76 GLU C C 76 178.261 179.121 -0.860 1
1 848 . 16 1 1 A 76 76 GLU CA C 76 58.200 59.102 -0.902 1
1 849 . 16 1 1 A 76 76 GLU CB C 76 29.841 29.343 0.498 1
1 851 . 16 1 1 A 76 76 GLU N N 76 119.947 119.077 0.870 1
1 852 . 16 1 1 A 77 77 ILE H H 77 7.826 7.648 0.178 1
1 853 . 16 1 1 A 77 77 ILE HA H 77 3.856 3.796 0.060 1
1 863 . 16 1 1 A 77 77 ILE C C 77 177.794 177.657 0.137 1
1 864 . 16 1 1 A 77 77 ILE CA C 77 63.454 64.211 -0.757 1
1 865 . 16 1 1 A 77 77 ILE CB C 77 38.016 37.554 0.462 1
1 869 . 16 1 1 A 77 77 ILE N N 77 119.278 117.393 1.885 1
1 870 . 16 1 1 A 78 78 LYS H H 78 7.802 8.326 -0.524 1
1 871 . 16 1 1 A 78 78 LYS HA H 78 4.196 4.040 0.156 1
1 878 . 16 1 1 A 78 78 LYS C C 78 177.591 178.920 -1.329 1
1 879 . 16 1 1 A 78 78 LYS CA C 78 57.728 59.056 -1.328 1
1 880 . 16 1 1 A 78 78 LYS CB C 78 32.601 32.013 0.588 1
1 884 . 16 1 1 A 78 78 LYS N N 78 122.041 122.281 -0.240 1
1 885 . 16 1 1 A 79 79 ARG H H 79 8.053 8.292 -0.239 1
1 886 . 16 1 1 A 79 79 ARG HA H 79 4.196 4.044 0.152 1
1 891 . 16 1 1 A 79 79 ARG C C 79 177.448 178.822 -1.374 1
1 892 . 16 1 1 A 79 79 ARG CA C 79 57.639 59.233 -1.594 1
1 893 . 16 1 1 A 79 79 ARG CB C 79 30.531 29.881 0.650 1
1 896 . 16 1 1 A 79 79 ARG N N 79 120.496 119.606 0.890 1
1 897 . 16 1 1 A 80 80 ARG H H 80 8.083 7.590 0.493 1
1 898 . 16 1 1 A 80 80 ARG HA H 80 4.193 4.056 0.137 1
1 904 . 16 1 1 A 80 80 ARG C C 80 176.786 178.313 -1.527 1
1 905 . 16 1 1 A 80 80 ARG CA C 80 57.196 58.849 -1.653 1
1 906 . 16 1 1 A 80 80 ARG CB C 80 30.531 29.375 1.156 1
1 909 . 16 1 1 A 80 80 ARG N N 80 120.092 119.167 0.925 1
1 910 . 16 1 1 A 81 81 ALA H H 81 8.062 7.730 0.332 1
1 911 . 16 1 1 A 81 81 ALA HA H 81 4.256 4.126 0.130 1
1 915 . 16 1 1 A 81 81 ALA C C 81 178.013 180.190 -2.177 1
1 916 . 16 1 1 A 81 81 ALA CA C 81 53.141 53.943 -0.802 1
1 917 . 16 1 1 A 81 81 ALA CB C 81 19.003 18.307 0.696 1
1 918 . 16 1 1 A 81 81 ALA N N 81 123.434 122.288 1.146 1
1 919 . 16 1 1 A 82 82 ASN H H 82 8.219 7.739 0.480 1
1 920 . 16 1 1 A 82 82 ASN HA H 82 4.661 4.484 0.177 1
1 925 . 16 1 1 A 82 82 ASN C C 82 175.620 176.684 -1.064 1
1 926 . 16 1 1 A 82 82 ASN CA C 82 53.686 55.357 -1.671 1
1 927 . 16 1 1 A 82 82 ASN CB C 82 38.672 38.597 0.075 1
1 928 . 16 1 1 A 82 82 ASN N N 82 117.551 117.189 0.362 1
1 930 . 16 1 1 A 83 83 ILE H H 83 7.949 7.695 0.254 1
1 931 . 16 1 1 A 83 83 ILE HA H 83 4.077 4.334 -0.257 1
1 941 . 16 1 1 A 83 83 ILE C C 83 176.291 175.149 1.142 1
1 942 . 16 1 1 A 83 83 ILE CA C 83 61.695 60.907 0.788 1
1 943 . 16 1 1 A 83 83 ILE CB C 83 38.672 36.206 2.466 1
1 947 . 16 1 1 A 83 83 ILE N N 83 120.666 116.448 4.218 1
1 948 . 16 1 1 A 84 84 ALA H H 84 8.184 7.641 0.543 1
1 949 . 16 1 1 A 84 84 ALA HA H 84 4.262 4.368 -0.106 1
1 953 . 16 1 1 A 84 84 ALA C C 84 177.794 175.917 1.877 1
1 954 . 16 1 1 A 84 84 ALA CA C 84 53.005 51.465 1.540 1
1 955 . 16 1 1 A 84 84 ALA CB C 84 18.941 17.670 1.271 1
1 956 . 16 1 1 A 84 84 ALA N N 84 126.306 126.614 -0.308 1
1 957 . 16 1 1 A 85 85 ALA H H 85 8.019 7.433 0.586 1
1 958 . 16 1 1 A 85 85 ALA HA H 85 4.263 4.675 -0.412 1
1 962 . 16 1 1 A 85 85 ALA C C 85 178.143 178.362 -0.219 1
1 963 . 16 1 1 A 85 85 ALA CA C 85 52.857 50.322 2.535 1
1 964 . 16 1 1 A 85 85 ALA CB C 85 19.170 21.454 -2.284 1
1 965 . 16 1 1 A 85 85 ALA N N 85 122.320 122.632 -0.312 1
1 966 . 16 1 1 A 86 86 ILE H H 86 7.959 8.746 -0.787 1
1 967 . 16 1 1 A 86 86 ILE HA H 86 4.077 3.705 0.372 1
1 977 . 16 1 1 A 86 86 ILE C C 86 176.697 177.822 -1.125 1
1 978 . 16 1 1 A 86 86 ILE CA C 86 61.654 64.169 -2.515 1
1 979 . 16 1 1 A 86 86 ILE CB C 86 38.603 37.641 0.962 1
1 983 . 16 1 1 A 86 86 ILE N N 86 119.762 121.325 -1.563 1
1 984 . 16 1 1 A 87 87 LEU H H 87 8.219 7.805 0.414 1
1 985 . 16 1 1 A 87 87 LEU HA H 87 4.340 3.958 0.382 1
1 995 . 16 1 1 A 87 87 LEU C C 87 177.616 176.623 0.993 1
1 996 . 16 1 1 A 87 87 LEU CA C 87 55.425 58.230 -2.805 1
1 997 . 16 1 1 A 87 87 LEU CB C 87 42.328 41.776 0.552 1
1 1001 . 16 1 1 A 87 87 LEU N N 87 125.404 123.322 2.082 1
1 1002 . 16 1 1 A 88 88 GLU H H 88 8.321 8.389 -0.068 1
1 1003 . 16 1 1 A 88 88 GLU HA H 88 4.287 4.582 -0.295 1
1 1008 . 16 1 1 A 88 88 GLU C C 88 176.636 175.697 0.939 1
1 1009 . 16 1 1 A 88 88 GLU CA C 88 56.872 55.143 1.729 1
1 1010 . 16 1 1 A 88 88 GLU CB C 88 30.186 29.713 0.473 1
1 1012 . 16 1 1 A 88 88 GLU N N 88 121.673 117.149 4.524 1
1 1013 . 16 1 1 A 89 89 SER H H 89 8.254 8.729 -0.475 1
1 1014 . 16 1 1 A 89 89 SER HA H 89 4.483 4.510 -0.027 1
1 1017 . 16 1 1 A 89 89 SER C C 89 174.693 174.598 0.095 1
1 1018 . 16 1 1 A 89 89 SER CA C 89 58.395 58.972 -0.577 1
1 1019 . 16 1 1 A 89 89 SER CB C 89 64.017 63.269 0.748 1
1 1020 . 16 1 1 A 89 89 SER N N 89 116.276 120.945 -4.669 1
1 1021 . 16 1 1 A 90 90 SER H H 90 8.346 8.795 -0.449 1
1 1022 . 16 1 1 A 90 90 SER HA H 90 4.478 5.239 -0.761 1
1 1024 . 16 1 1 A 90 90 SER C C 90 174.564 173.132 1.432 1
1 1025 . 16 1 1 A 90 90 SER CA C 90 58.525 56.682 1.843 1
1 1026 . 16 1 1 A 90 90 SER CB C 90 64.129 66.536 -2.407 1
1 1027 . 16 1 1 A 90 90 SER N N 90 117.689 118.022 -0.333 1
1 1028 . 16 1 1 A 91 91 GLY H H 91 8.213 8.626 -0.413 1
1 1029 . 16 1 1 A 91 91 GLY HA2 H 91 4.112 4.352 -0.240 1
1 1030 . 16 1 1 A 91 91 GLY HA3 H 91 4.112 4.353 -0.241 1
1 1031 . 16 1 1 A 91 91 GLY C C 91 171.803 174.165 -2.362 1
1 1032 . 16 1 1 A 91 91 GLY CA C 91 44.743 44.107 0.636 1
1 1033 . 16 1 1 A 91 91 GLY N N 91 110.570 107.417 3.153 1
1 1034 . 16 1 1 A 92 92 PRO HA H 92 4.530 4.433 0.097 1
1 1035 . 16 1 1 A 93 93 SER HA H 93 4.498 4.239 0.259 1
1 1037 . 16 1 1 A 93 93 SER C C 93 173.981 174.567 -0.586 1
1 1038 . 16 1 1 A 93 93 SER CA C 93 57.378 61.295 -3.917 1
1 1039 . 16 1 1 A 93 93 SER CB C 93 58.505 63.511 -5.006 1
1 1040 . 16 1 1 A 94 94 SER H H 94 8.032 7.878 0.154 1
1 1041 . 16 1 1 A 94 94 SER HA H 94 4.498 4.407 0.091 1
1 1043 . 16 1 1 A 94 94 SER C C 94 173.955 175.542 -1.587 1
1 1044 . 16 1 1 A 94 94 SER CA C 94 58.436 58.073 0.363 1
1 1045 . 16 1 1 A 94 94 SER CB C 94 64.017 64.410 -0.393 1
1 1046 . 16 1 1 A 94 94 SER N N 94 116.327 115.273 1.054 1
1 1 . 17 1 1 A 11 11 ARG HA H 11 4.442 4.192 0.250 1
1 6 . 17 1 1 A 11 11 ARG C C 11 175.365 175.593 -0.228 1
1 7 . 17 1 1 A 11 11 ARG CA C 11 55.738 56.335 -0.597 1
1 8 . 17 1 1 A 11 11 ARG CB C 11 31.419 30.583 0.836 1
1 11 . 17 1 1 A 12 12 PHE H H 12 8.430 8.681 -0.251 1
1 12 . 17 1 1 A 12 12 PHE HA H 12 4.481 5.040 -0.559 1
1 20 . 17 1 1 A 12 12 PHE C C 12 174.869 172.993 1.876 1
1 21 . 17 1 1 A 12 12 PHE CA C 12 58.525 57.707 0.818 1
1 22 . 17 1 1 A 12 12 PHE CB C 12 39.955 42.286 -2.331 1
1 28 . 17 1 1 A 12 12 PHE N N 12 123.637 123.074 0.563 1
1 29 . 17 1 1 A 13 13 THR H H 13 7.543 7.182 0.361 1
1 30 . 17 1 1 A 13 13 THR HA H 13 4.216 4.601 -0.385 1
1 35 . 17 1 1 A 13 13 THR C C 13 172.757 172.536 0.221 1
1 36 . 17 1 1 A 13 13 THR CA C 13 60.703 60.690 0.013 1
1 37 . 17 1 1 A 13 13 THR CB C 13 70.578 72.367 -1.789 1
1 39 . 17 1 1 A 13 13 THR N N 13 122.237 115.894 6.343 1
1 40 . 17 1 1 A 14 14 TRP H H 14 8.427 8.815 -0.388 1
1 41 . 17 1 1 A 14 14 TRP HA H 14 4.195 5.080 -0.885 1
1 50 . 17 1 1 A 14 14 TRP C C 14 177.225 175.593 1.632 1
1 51 . 17 1 1 A 14 14 TRP CA C 14 57.137 55.703 1.434 1
1 52 . 17 1 1 A 14 14 TRP CB C 14 29.919 30.219 -0.300 1
1 58 . 17 1 1 A 14 14 TRP N N 14 125.363 126.545 -1.182 1
1 60 . 17 1 1 A 15 15 ARG H H 15 8.790 8.994 -0.204 1
1 61 . 17 1 1 A 15 15 ARG HA H 15 4.436 4.336 0.100 1
1 67 . 17 1 1 A 15 15 ARG C C 15 176.254 178.086 -1.832 1
1 68 . 17 1 1 A 15 15 ARG CA C 15 54.848 56.249 -1.401 1
1 69 . 17 1 1 A 15 15 ARG CB C 15 30.217 31.035 -0.818 1
1 72 . 17 1 1 A 15 15 ARG N N 15 124.453 124.674 -0.221 1
1 73 . 17 1 1 A 16 16 LYS H H 16 7.990 8.807 -0.817 1
1 74 . 17 1 1 A 16 16 LYS HA H 16 3.949 3.963 -0.014 1
1 81 . 17 1 1 A 16 16 LYS C C 16 179.133 178.459 0.674 1
1 82 . 17 1 1 A 16 16 LYS CA C 16 60.206 59.716 0.490 1
1 83 . 17 1 1 A 16 16 LYS CB C 16 32.102 32.046 0.056 1
1 87 . 17 1 1 A 16 16 LYS N N 16 120.654 122.972 -2.318 1
1 88 . 17 1 1 A 17 17 GLU H H 17 10.775 8.312 2.463 1
1 89 . 17 1 1 A 17 17 GLU HA H 17 4.126 4.025 0.101 1
1 94 . 17 1 1 A 17 17 GLU C C 17 179.581 179.221 0.360 1
1 95 . 17 1 1 A 17 17 GLU CA C 17 60.262 59.362 0.900 1
1 96 . 17 1 1 A 17 17 GLU CB C 17 28.944 29.808 -0.864 1
1 98 . 17 1 1 A 17 17 GLU N N 17 119.914 120.249 -0.335 1
1 99 . 17 1 1 A 18 18 CYS H H 18 7.314 8.305 -0.991 1
1 100 . 17 1 1 A 18 18 CYS HA H 18 4.166 4.259 -0.093 1
1 103 . 17 1 1 A 18 18 CYS C C 18 176.250 177.411 -1.161 1
1 104 . 17 1 1 A 18 18 CYS CA C 18 61.093 63.001 -1.908 1
1 105 . 17 1 1 A 18 18 CYS CB C 18 27.636 27.015 0.621 1
1 106 . 17 1 1 A 18 18 CYS N N 18 115.339 118.939 -3.600 1
1 107 . 17 1 1 A 19 19 LEU H H 19 7.975 8.120 -0.145 1
1 108 . 17 1 1 A 19 19 LEU HA H 19 3.365 3.557 -0.192 1
1 118 . 17 1 1 A 19 19 LEU C C 19 178.119 178.811 -0.692 1
1 119 . 17 1 1 A 19 19 LEU CA C 19 58.084 57.702 0.382 1
1 120 . 17 1 1 A 19 19 LEU CB C 19 40.713 40.877 -0.164 1
1 124 . 17 1 1 A 19 19 LEU N N 19 120.346 123.061 -2.715 1
1 125 . 17 1 1 A 20 20 ALA H H 20 7.481 8.014 -0.533 1
1 126 . 17 1 1 A 20 20 ALA HA H 20 4.079 4.004 0.075 1
1 130 . 17 1 1 A 20 20 ALA C C 20 180.800 180.528 0.272 1
1 131 . 17 1 1 A 20 20 ALA CA C 20 55.172 55.130 0.042 1
1 132 . 17 1 1 A 20 20 ALA CB C 20 17.975 18.182 -0.207 1
1 133 . 17 1 1 A 20 20 ALA N N 20 119.101 122.026 -2.925 1
1 134 . 17 1 1 A 21 21 VAL H H 21 6.932 7.358 -0.426 1
1 135 . 17 1 1 A 21 21 VAL HA H 21 3.752 3.512 0.240 1
1 143 . 17 1 1 A 21 21 VAL C C 21 178.850 178.250 0.600 1
1 144 . 17 1 1 A 21 21 VAL CA C 21 66.018 67.289 -1.271 1
1 145 . 17 1 1 A 21 21 VAL CB C 21 32.168 31.486 0.682 1
1 148 . 17 1 1 A 21 21 VAL N N 21 118.965 118.051 0.914 1
1 149 . 17 1 1 A 22 22 MET H H 22 7.925 7.638 0.287 1
1 150 . 17 1 1 A 22 22 MET HA H 22 3.894 4.142 -0.248 1
1 158 . 17 1 1 A 22 22 MET C C 22 177.997 178.712 -0.715 1
1 159 . 17 1 1 A 22 22 MET CA C 22 60.060 58.630 1.430 1
1 160 . 17 1 1 A 22 22 MET CB C 22 30.494 31.822 -1.328 1
1 163 . 17 1 1 A 22 22 MET N N 22 118.668 117.019 1.649 1
1 164 . 17 1 1 A 23 23 GLU H H 23 8.452 7.639 0.813 1
1 165 . 17 1 1 A 23 23 GLU HA H 23 4.048 4.130 -0.082 1
1 170 . 17 1 1 A 23 23 GLU C C 23 178.809 179.132 -0.323 1
1 171 . 17 1 1 A 23 23 GLU CA C 23 59.676 59.113 0.563 1
1 172 . 17 1 1 A 23 23 GLU CB C 23 29.289 29.046 0.243 1
1 174 . 17 1 1 A 23 23 GLU N N 23 118.239 119.607 -1.368 1
1 175 . 17 1 1 A 24 24 SER H H 24 7.431 7.417 0.014 1
1 176 . 17 1 1 A 24 24 SER HA H 24 4.279 4.271 0.008 1
1 179 . 17 1 1 A 24 24 SER C C 24 177.916 177.121 0.795 1
1 180 . 17 1 1 A 24 24 SER CA C 24 61.785 61.535 0.250 1
1 181 . 17 1 1 A 24 24 SER CB C 24 62.616 62.916 -0.300 1
1 182 . 17 1 1 A 24 24 SER N N 24 113.792 116.063 -2.271 1
1 183 . 17 1 1 A 25 25 TYR H H 25 7.845 8.208 -0.363 1
1 184 . 17 1 1 A 25 25 TYR HA H 25 4.354 4.345 0.009 1
1 191 . 17 1 1 A 25 25 TYR C C 25 178.789 178.989 -0.200 1
1 192 . 17 1 1 A 25 25 TYR CA C 25 63.193 60.841 2.352 1
1 193 . 17 1 1 A 25 25 TYR CB C 25 38.706 38.107 0.599 1
1 198 . 17 1 1 A 25 25 TYR N N 25 120.184 119.282 0.902 1
1 199 . 17 1 1 A 26 26 PHE H H 26 9.279 8.364 0.915 1
1 200 . 17 1 1 A 26 26 PHE HA H 26 4.237 4.684 -0.447 1
1 208 . 17 1 1 A 26 26 PHE C C 26 175.885 178.049 -2.164 1
1 209 . 17 1 1 A 26 26 PHE CA C 26 62.008 61.604 0.404 1
1 210 . 17 1 1 A 26 26 PHE CB C 26 39.072 39.041 0.031 1
1 216 . 17 1 1 A 26 26 PHE N N 26 123.634 120.607 3.027 1
1 217 . 17 1 1 A 27 27 ASN H H 27 7.807 7.990 -0.183 1
1 218 . 17 1 1 A 27 27 ASN HA H 27 4.409 4.433 -0.024 1
1 223 . 17 1 1 A 27 27 ASN C C 27 176.108 177.439 -1.331 1
1 224 . 17 1 1 A 27 27 ASN CA C 27 55.307 56.389 -1.082 1
1 225 . 17 1 1 A 27 27 ASN CB C 27 38.810 37.920 0.890 1
1 226 . 17 1 1 A 27 27 ASN N N 27 112.896 117.318 -4.422 1
1 228 . 17 1 1 A 28 28 GLU H H 28 7.431 7.963 -0.532 1
1 229 . 17 1 1 A 28 28 GLU HA H 28 4.274 4.238 0.036 1
1 234 . 17 1 1 A 28 28 GLU C C 28 176.880 176.434 0.446 1
1 235 . 17 1 1 A 28 28 GLU CA C 28 57.875 58.037 -0.162 1
1 236 . 17 1 1 A 28 28 GLU CB C 28 30.965 29.420 1.545 1
1 238 . 17 1 1 A 28 28 GLU N N 28 117.899 114.779 3.120 1
1 239 . 17 1 1 A 29 29 ASN H H 29 7.950 8.039 -0.089 1
1 240 . 17 1 1 A 29 29 ASN HA H 29 4.562 4.922 -0.360 1
1 245 . 17 1 1 A 29 29 ASN C C 29 174.036 175.040 -1.004 1
1 246 . 17 1 1 A 29 29 ASN CA C 29 53.654 52.915 0.739 1
1 247 . 17 1 1 A 29 29 ASN CB C 29 39.361 40.591 -1.230 1
1 248 . 17 1 1 A 29 29 ASN N N 29 116.656 117.426 -0.770 1
1 250 . 17 1 1 A 30 30 GLN H H 30 8.658 8.331 0.327 1
1 251 . 17 1 1 A 30 30 GLN HA H 30 3.848 3.247 0.601 1
1 258 . 17 1 1 A 30 30 GLN C C 30 174.503 175.525 -1.022 1
1 259 . 17 1 1 A 30 30 GLN CA C 30 57.336 58.265 -0.929 1
1 260 . 17 1 1 A 30 30 GLN CB C 30 27.978 28.897 -0.919 1
1 262 . 17 1 1 A 30 30 GLN N N 30 122.486 123.298 -0.812 1
1 264 . 17 1 1 A 31 31 TYR H H 31 8.181 7.966 0.215 1
1 265 . 17 1 1 A 31 31 TYR HA H 31 4.769 5.215 -0.446 1
1 272 . 17 1 1 A 31 31 TYR C C 31 172.816 173.104 -0.288 1
1 273 . 17 1 1 A 31 31 TYR CA C 31 55.409 54.276 1.133 1
1 274 . 17 1 1 A 31 31 TYR CB C 31 38.938 38.895 0.043 1
1 279 . 17 1 1 A 31 31 TYR N N 31 116.012 117.647 -1.635 1
1 280 . 17 1 1 A 32 32 PRO HA H 32 4.320 4.559 -0.239 1
1 287 . 17 1 1 A 32 32 PRO C C 32 177.530 176.962 0.568 1
1 288 . 17 1 1 A 32 32 PRO CA C 32 63.041 62.808 0.233 1
1 289 . 17 1 1 A 32 32 PRO CB C 32 31.052 31.945 -0.893 1
1 292 . 17 1 1 A 33 33 ASP H H 33 8.439 8.471 -0.032 1
1 293 . 17 1 1 A 33 33 ASP HA H 33 4.475 4.677 -0.202 1
1 296 . 17 1 1 A 33 33 ASP C C 33 175.397 177.616 -2.219 1
1 297 . 17 1 1 A 33 33 ASP CA C 33 52.562 54.201 -1.639 1
1 298 . 17 1 1 A 33 33 ASP CB C 33 40.363 41.875 -1.512 1
1 299 . 17 1 1 A 33 33 ASP N N 33 125.278 122.087 3.191 1
1 300 . 17 1 1 A 34 34 GLU H H 34 8.644 8.814 -0.170 1
1 301 . 17 1 1 A 34 34 GLU HA H 34 3.613 3.869 -0.256 1
1 306 . 17 1 1 A 34 34 GLU C C 34 178.261 178.585 -0.324 1
1 307 . 17 1 1 A 34 34 GLU CA C 34 61.565 58.907 2.658 1
1 308 . 17 1 1 A 34 34 GLU CB C 34 29.289 29.580 -0.291 1
1 310 . 17 1 1 A 34 34 GLU N N 34 118.756 121.211 -2.455 1
1 311 . 17 1 1 A 35 35 ALA H H 35 8.121 8.175 -0.054 1
1 312 . 17 1 1 A 35 35 ALA HA H 35 4.155 4.062 0.093 1
1 316 . 17 1 1 A 35 35 ALA C C 35 181.307 179.612 1.695 1
1 317 . 17 1 1 A 35 35 ALA CA C 35 54.953 55.228 -0.275 1
1 318 . 17 1 1 A 35 35 ALA CB C 35 17.975 18.276 -0.301 1
1 319 . 17 1 1 A 35 35 ALA N N 35 121.196 122.073 -0.877 1
1 320 . 17 1 1 A 36 36 LYS H H 36 8.448 7.916 0.532 1
1 321 . 17 1 1 A 36 36 LYS HA H 36 4.157 4.020 0.137 1
1 330 . 17 1 1 A 36 36 LYS C C 36 178.769 178.529 0.240 1
1 331 . 17 1 1 A 36 36 LYS CA C 36 56.576 59.630 -3.054 1
1 332 . 17 1 1 A 36 36 LYS CB C 36 29.689 32.241 -2.552 1
1 336 . 17 1 1 A 36 36 LYS N N 36 121.690 118.405 3.285 1
1 337 . 17 1 1 A 37 37 ARG H H 37 8.977 7.945 1.032 1
1 338 . 17 1 1 A 37 37 ARG HA H 37 3.711 3.910 -0.199 1
1 345 . 17 1 1 A 37 37 ARG C C 37 178.444 178.923 -0.479 1
1 346 . 17 1 1 A 37 37 ARG CA C 37 61.131 59.323 1.808 1
1 347 . 17 1 1 A 37 37 ARG CB C 37 30.941 29.799 1.142 1
1 350 . 17 1 1 A 37 37 ARG N N 37 117.588 118.729 -1.141 1
1 351 . 17 1 1 A 38 38 GLU H H 38 7.750 7.944 -0.194 1
1 352 . 17 1 1 A 38 38 GLU HA H 38 4.083 4.101 -0.018 1
1 357 . 17 1 1 A 38 38 GLU C C 38 178.301 179.534 -1.233 1
1 358 . 17 1 1 A 38 38 GLU CA C 38 59.321 58.904 0.417 1
1 359 . 17 1 1 A 38 38 GLU CB C 38 29.013 29.640 -0.627 1
1 361 . 17 1 1 A 38 38 GLU N N 38 119.080 119.916 -0.836 1
1 362 . 17 1 1 A 39 39 GLU H H 39 7.540 7.794 -0.254 1
1 363 . 17 1 1 A 39 39 GLU HA H 39 4.048 4.108 -0.060 1
1 368 . 17 1 1 A 39 39 GLU C C 39 179.784 178.767 1.017 1
1 369 . 17 1 1 A 39 39 GLU CA C 39 59.646 59.064 0.582 1
1 370 . 17 1 1 A 39 39 GLU CB C 39 29.409 29.688 -0.279 1
1 372 . 17 1 1 A 39 39 GLU N N 39 121.188 119.642 1.546 1
1 373 . 17 1 1 A 40 40 ILE H H 40 8.634 7.800 0.834 1
1 374 . 17 1 1 A 40 40 ILE HA H 40 3.133 3.402 -0.269 1
1 384 . 17 1 1 A 40 40 ILE C C 40 178.119 177.667 0.452 1
1 385 . 17 1 1 A 40 40 ILE CA C 40 65.462 62.761 2.701 1
1 386 . 17 1 1 A 40 40 ILE CB C 40 37.951 36.766 1.185 1
1 390 . 17 1 1 A 40 40 ILE N N 40 121.126 120.005 1.121 1
1 391 . 17 1 1 A 41 41 ALA H H 41 8.462 7.932 0.530 1
1 392 . 17 1 1 A 41 41 ALA HA H 41 3.713 4.000 -0.287 1
1 396 . 17 1 1 A 41 41 ALA C C 41 178.850 179.817 -0.967 1
1 397 . 17 1 1 A 41 41 ALA CA C 41 56.014 55.303 0.711 1
1 398 . 17 1 1 A 41 41 ALA CB C 41 16.779 17.730 -0.951 1
1 399 . 17 1 1 A 41 41 ALA N N 41 123.029 123.762 -0.733 1
1 400 . 17 1 1 A 42 42 ASN H H 42 8.264 8.564 -0.300 1
1 401 . 17 1 1 A 42 42 ASN HA H 42 4.521 4.421 0.100 1
1 406 . 17 1 1 A 42 42 ASN C C 42 178.220 177.535 0.685 1
1 407 . 17 1 1 A 42 42 ASN CA C 42 56.193 55.703 0.490 1
1 408 . 17 1 1 A 42 42 ASN CB C 42 37.775 37.785 -0.010 1
1 409 . 17 1 1 A 42 42 ASN N N 42 115.462 117.912 -2.450 1
1 411 . 17 1 1 A 43 43 ALA H H 43 8.403 7.697 0.706 1
1 412 . 17 1 1 A 43 43 ALA HA H 43 4.273 4.107 0.166 1
1 416 . 17 1 1 A 43 43 ALA C C 43 180.962 180.105 0.857 1
1 417 . 17 1 1 A 43 43 ALA CA C 43 55.200 55.066 0.134 1
1 418 . 17 1 1 A 43 43 ALA CB C 43 18.478 18.076 0.402 1
1 419 . 17 1 1 A 43 43 ALA N N 43 125.139 122.575 2.564 1
1 420 . 17 1 1 A 44 44 CYS H H 44 8.457 7.687 0.770 1
1 421 . 17 1 1 A 44 44 CYS HA H 44 4.156 4.119 0.037 1
1 424 . 17 1 1 A 44 44 CYS C C 44 176.534 177.126 -0.592 1
1 425 . 17 1 1 A 44 44 CYS CA C 44 64.768 63.626 1.142 1
1 426 . 17 1 1 A 44 44 CYS CB C 44 27.644 26.982 0.662 1
1 427 . 17 1 1 A 44 44 CYS N N 44 116.609 116.232 0.377 1
1 428 . 17 1 1 A 45 45 ASN H H 45 8.346 7.912 0.434 1
1 429 . 17 1 1 A 45 45 ASN HA H 45 4.613 4.520 0.093 1
1 434 . 17 1 1 A 45 45 ASN C C 45 177.631 177.756 -0.125 1
1 435 . 17 1 1 A 45 45 ASN CA C 45 55.723 56.122 -0.399 1
1 436 . 17 1 1 A 45 45 ASN CB C 45 37.526 38.012 -0.486 1
1 437 . 17 1 1 A 45 45 ASN N N 45 117.491 118.478 -0.987 1
1 439 . 17 1 1 A 46 46 ALA H H 46 8.014 7.661 0.353 1
1 440 . 17 1 1 A 46 46 ALA HA H 46 4.200 4.067 0.133 1
1 444 . 17 1 1 A 46 46 ALA C C 46 180.292 179.728 0.564 1
1 445 . 17 1 1 A 46 46 ALA CA C 46 54.805 55.076 -0.271 1
1 446 . 17 1 1 A 46 46 ALA CB C 46 18.283 18.327 -0.044 1
1 447 . 17 1 1 A 46 46 ALA N N 46 120.198 123.472 -3.274 1
1 448 . 17 1 1 A 47 47 VAL H H 47 7.240 8.109 -0.869 1
1 449 . 17 1 1 A 47 47 VAL HA H 47 4.306 3.783 0.523 1
1 457 . 17 1 1 A 47 47 VAL C C 47 177.083 177.615 -0.532 1
1 458 . 17 1 1 A 47 47 VAL CA C 47 63.484 65.509 -2.025 1
1 459 . 17 1 1 A 47 47 VAL CB C 47 31.935 31.539 0.396 1
1 462 . 17 1 1 A 47 47 VAL N N 47 110.165 116.479 -6.314 1
1 463 . 17 1 1 A 48 48 ILE H H 48 7.146 7.396 -0.250 1
1 464 . 17 1 1 A 48 48 ILE HA H 48 4.473 4.081 0.392 1
1 474 . 17 1 1 A 48 48 ILE C C 48 175.966 176.036 -0.070 1
1 475 . 17 1 1 A 48 48 ILE CA C 48 62.055 63.487 -1.432 1
1 476 . 17 1 1 A 48 48 ILE CB C 48 39.444 38.031 1.413 1
1 480 . 17 1 1 A 48 48 ILE N N 48 112.085 117.485 -5.400 1
1 481 . 17 1 1 A 49 49 GLN H H 49 7.671 8.125 -0.454 1
1 482 . 17 1 1 A 49 49 GLN HA H 49 4.254 4.104 0.150 1
1 489 . 17 1 1 A 49 49 GLN C C 49 175.417 175.709 -0.292 1
1 490 . 17 1 1 A 49 49 GLN CA C 49 56.370 56.451 -0.081 1
1 491 . 17 1 1 A 49 49 GLN CB C 49 29.289 29.029 0.260 1
1 493 . 17 1 1 A 49 49 GLN N N 49 123.076 123.157 -0.081 1
1 495 . 17 1 1 A 50 50 LYS H H 50 8.932 8.670 0.262 1
1 496 . 17 1 1 A 50 50 LYS HA H 50 4.760 4.713 0.047 1
1 502 . 17 1 1 A 50 50 LYS C C 50 174.497 174.352 0.145 1
1 503 . 17 1 1 A 50 50 LYS CA C 50 53.341 53.434 -0.093 1
1 504 . 17 1 1 A 50 50 LYS CB C 50 32.860 32.216 0.644 1
1 506 . 17 1 1 A 50 50 LYS N N 50 127.505 126.875 0.630 1
1 507 . 17 1 1 A 51 51 PRO HA H 51 4.328 4.297 0.031 1
1 514 . 17 1 1 A 51 51 PRO CA C 51 64.015 63.720 0.295 1
1 515 . 17 1 1 A 51 51 PRO CB C 51 31.590 31.275 0.315 1
1 518 . 17 1 1 A 52 52 GLY H H 52 8.752 8.783 -0.031 1
1 519 . 17 1 1 A 52 52 GLY HA2 H 52 4.113 3.992 0.121 1
1 520 . 17 1 1 A 52 52 GLY HA3 H 52 3.728 3.992 -0.264 1
1 521 . 17 1 1 A 52 52 GLY C C 52 173.732 173.404 0.328 1
1 522 . 17 1 1 A 52 52 GLY CA C 52 45.646 45.715 -0.069 1
1 523 . 17 1 1 A 53 53 LYS H H 53 7.734 7.510 0.224 1
1 524 . 17 1 1 A 53 53 LYS HA H 53 4.621 4.899 -0.278 1
1 531 . 17 1 1 A 53 53 LYS C C 53 175.681 174.381 1.300 1
1 532 . 17 1 1 A 53 53 LYS CA C 53 54.451 54.146 0.305 1
1 533 . 17 1 1 A 53 53 LYS CB C 53 34.466 35.824 -1.358 1
1 537 . 17 1 1 A 53 53 LYS N N 53 120.205 120.101 0.104 1
1 538 . 17 1 1 A 54 54 LYS H H 54 8.536 8.779 -0.243 1
1 539 . 17 1 1 A 54 54 LYS HA H 54 4.412 5.055 -0.643 1
1 546 . 17 1 1 A 54 54 LYS C C 54 177.022 175.875 1.147 1
1 547 . 17 1 1 A 54 54 LYS CA C 54 55.691 54.454 1.237 1
1 548 . 17 1 1 A 54 54 LYS CB C 54 33.453 35.127 -1.674 1
1 552 . 17 1 1 A 54 54 LYS N N 54 124.424 123.959 0.465 1
1 553 . 17 1 1 A 55 55 LEU H H 55 8.656 8.738 -0.082 1
1 554 . 17 1 1 A 55 55 LEU HA H 55 4.407 4.278 0.129 1
1 564 . 17 1 1 A 55 55 LEU C C 55 177.448 176.500 0.948 1
1 565 . 17 1 1 A 55 55 LEU CA C 55 54.670 55.077 -0.407 1
1 566 . 17 1 1 A 55 55 LEU CB C 55 43.243 42.149 1.094 1
1 570 . 17 1 1 A 55 55 LEU N N 55 126.145 127.902 -1.757 1
1 571 . 17 1 1 A 56 56 SER H H 56 9.313 8.782 0.531 1
1 572 . 17 1 1 A 56 56 SER HA H 56 4.496 4.773 -0.277 1
1 575 . 17 1 1 A 56 56 SER C C 56 175.226 175.146 0.080 1
1 576 . 17 1 1 A 56 56 SER CA C 56 57.507 57.009 0.498 1
1 577 . 17 1 1 A 56 56 SER CB C 56 64.802 65.859 -1.057 1
1 578 . 17 1 1 A 56 56 SER N N 56 121.790 117.540 4.250 1
1 579 . 17 1 1 A 57 57 ASP H H 57 8.929 9.191 -0.262 1
1 580 . 17 1 1 A 57 57 ASP HA H 57 4.314 4.340 -0.026 1
1 583 . 17 1 1 A 57 57 ASP C C 57 177.855 178.630 -0.775 1
1 584 . 17 1 1 A 57 57 ASP CA C 57 57.403 56.741 0.662 1
1 585 . 17 1 1 A 57 57 ASP CB C 57 40.353 39.867 0.486 1
1 586 . 17 1 1 A 58 58 LEU H H 58 7.824 7.893 -0.069 1
1 587 . 17 1 1 A 58 58 LEU HA H 58 4.194 4.159 0.035 1
1 597 . 17 1 1 A 58 58 LEU C C 58 177.509 178.281 -0.772 1
1 598 . 17 1 1 A 58 58 LEU CA C 58 56.754 57.591 -0.837 1
1 599 . 17 1 1 A 58 58 LEU CB C 58 42.259 41.647 0.612 1
1 603 . 17 1 1 A 58 58 LEU N N 58 117.552 120.646 -3.094 1
1 604 . 17 1 1 A 59 59 GLU H H 59 7.325 7.810 -0.485 1
1 605 . 17 1 1 A 59 59 GLU HA H 59 4.286 4.318 -0.032 1
1 610 . 17 1 1 A 59 59 GLU C C 59 175.661 176.405 -0.744 1
1 611 . 17 1 1 A 59 59 GLU CA C 59 56.370 55.787 0.583 1
1 612 . 17 1 1 A 59 59 GLU CB C 59 32.314 31.026 1.288 1
1 614 . 17 1 1 A 59 59 GLU N N 59 115.631 116.279 -0.648 1
1 615 . 17 1 1 A 60 60 ARG H H 60 7.408 8.139 -0.731 1
1 616 . 17 1 1 A 60 60 ARG HA H 60 3.948 4.656 -0.708 1
1 623 . 17 1 1 A 60 60 ARG C C 60 175.194 175.599 -0.405 1
1 624 . 17 1 1 A 60 60 ARG CA C 60 57.167 56.582 0.585 1
1 625 . 17 1 1 A 60 60 ARG CB C 60 31.083 30.644 0.439 1
1 628 . 17 1 1 A 60 60 ARG N N 60 118.018 122.641 -4.623 1
1 629 . 17 1 1 A 61 61 VAL H H 61 10.175 9.431 0.744 1
1 630 . 17 1 1 A 61 61 VAL HA H 61 3.462 4.634 -1.172 1
1 638 . 17 1 1 A 61 61 VAL C C 61 175.681 176.271 -0.590 1
1 639 . 17 1 1 A 61 61 VAL CA C 61 65.077 61.687 3.390 1
1 640 . 17 1 1 A 61 61 VAL CB C 61 31.702 32.459 -0.757 1
1 643 . 17 1 1 A 61 61 VAL N N 61 128.658 127.293 1.365 1
1 644 . 17 1 1 A 62 62 THR H H 62 6.270 8.761 -2.491 1
1 645 . 17 1 1 A 62 62 THR HA H 62 4.780 4.786 -0.006 1
1 650 . 17 1 1 A 62 62 THR C C 62 175.064 176.322 -1.258 1
1 651 . 17 1 1 A 62 62 THR CA C 62 58.600 60.193 -1.593 1
1 652 . 17 1 1 A 62 62 THR CB C 62 72.355 71.653 0.702 1
1 654 . 17 1 1 A 62 62 THR N N 62 114.178 120.131 -5.953 1
1 655 . 17 1 1 A 63 63 SER HA H 63 3.869 4.143 -0.274 1
1 658 . 17 1 1 A 63 63 SER C C 63 176.656 176.876 -0.220 1
1 659 . 17 1 1 A 63 63 SER CA C 63 61.433 61.905 -0.472 1
1 660 . 17 1 1 A 63 63 SER CB C 63 62.197 62.364 -0.167 1
1 661 . 17 1 1 A 64 64 LEU H H 64 8.062 8.131 -0.069 1
1 662 . 17 1 1 A 64 64 LEU HA H 64 4.367 4.187 0.180 1
1 672 . 17 1 1 A 64 64 LEU C C 64 178.789 179.141 -0.352 1
1 673 . 17 1 1 A 64 64 LEU CA C 64 57.964 57.700 0.264 1
1 674 . 17 1 1 A 64 64 LEU CB C 64 42.052 41.637 0.415 1
1 678 . 17 1 1 A 64 64 LEU N N 64 123.294 126.393 -3.099 1
1 679 . 17 1 1 A 65 65 LYS H H 65 7.524 7.732 -0.208 1
1 680 . 17 1 1 A 65 65 LYS HA H 65 4.292 4.038 0.254 1
1 689 . 17 1 1 A 65 65 LYS C C 65 180.779 179.536 1.243 1
1 690 . 17 1 1 A 65 65 LYS CA C 65 60.266 59.549 0.717 1
1 691 . 17 1 1 A 65 65 LYS CB C 65 32.808 32.409 0.399 1
1 695 . 17 1 1 A 65 65 LYS N N 65 119.262 119.071 0.191 1
1 696 . 17 1 1 A 66 66 VAL H H 66 8.290 7.668 0.622 1
1 697 . 17 1 1 A 66 66 VAL HA H 66 4.075 3.802 0.273 1
1 705 . 17 1 1 A 66 66 VAL C C 66 177.509 177.759 -0.250 1
1 706 . 17 1 1 A 66 66 VAL CA C 66 66.963 66.514 0.449 1
1 707 . 17 1 1 A 66 66 VAL CB C 66 32.419 31.625 0.794 1
1 710 . 17 1 1 A 66 66 VAL N N 66 119.900 120.357 -0.457 1
1 711 . 17 1 1 A 67 67 TYR H H 67 8.893 8.177 0.716 1
1 712 . 17 1 1 A 67 67 TYR HA H 67 3.857 4.169 -0.312 1
1 719 . 17 1 1 A 67 67 TYR C C 67 177.956 178.100 -0.144 1
1 720 . 17 1 1 A 67 67 TYR CA C 67 62.897 61.593 1.304 1
1 721 . 17 1 1 A 67 67 TYR CB C 67 38.326 38.595 -0.269 1
1 726 . 17 1 1 A 67 67 TYR N N 67 120.861 121.299 -0.438 1
1 727 . 17 1 1 A 68 68 ASN H H 68 8.561 8.065 0.496 1
1 728 . 17 1 1 A 68 68 ASN HA H 68 4.545 4.432 0.113 1
1 733 . 17 1 1 A 68 68 ASN C C 68 177.570 178.184 -0.614 1
1 734 . 17 1 1 A 68 68 ASN CA C 68 56.222 56.570 -0.348 1
1 735 . 17 1 1 A 68 68 ASN CB C 68 38.465 38.437 0.028 1
1 736 . 17 1 1 A 68 68 ASN N N 68 117.386 117.324 0.062 1
1 738 . 17 1 1 A 69 69 TRP H H 69 8.655 8.146 0.509 1
1 739 . 17 1 1 A 69 69 TRP HA H 69 4.151 4.268 -0.117 1
1 748 . 17 1 1 A 69 69 TRP C C 69 179.764 178.350 1.414 1
1 749 . 17 1 1 A 69 69 TRP CA C 69 63.194 61.474 1.720 1
1 750 . 17 1 1 A 69 69 TRP CB C 69 29.720 29.254 0.466 1
1 756 . 17 1 1 A 69 69 TRP N N 69 123.454 122.765 0.689 1
1 758 . 17 1 1 A 70 70 PHE H H 70 9.166 8.513 0.653 1
1 759 . 17 1 1 A 70 70 PHE HA H 70 3.745 4.356 -0.611 1
1 767 . 17 1 1 A 70 70 PHE C C 70 177.469 178.645 -1.176 1
1 768 . 17 1 1 A 70 70 PHE CA C 70 62.862 61.852 1.010 1
1 769 . 17 1 1 A 70 70 PHE CB C 70 39.115 38.036 1.079 1
1 775 . 17 1 1 A 70 70 PHE N N 70 120.259 118.305 1.954 1
1 776 . 17 1 1 A 71 71 ALA H H 71 8.169 8.707 -0.538 1
1 777 . 17 1 1 A 71 71 ALA HA H 71 3.868 4.092 -0.224 1
1 781 . 17 1 1 A 71 71 ALA C C 71 180.698 179.339 1.359 1
1 782 . 17 1 1 A 71 71 ALA CA C 71 55.307 54.874 0.433 1
1 783 . 17 1 1 A 71 71 ALA CB C 71 17.697 17.917 -0.220 1
1 784 . 17 1 1 A 71 71 ALA N N 71 120.051 122.616 -2.565 1
1 785 . 17 1 1 A 72 72 ASN H H 72 7.789 7.596 0.193 1
1 786 . 17 1 1 A 72 72 ASN HA H 72 4.280 4.418 -0.138 1
1 791 . 17 1 1 A 72 72 ASN C C 72 177.022 178.132 -1.110 1
1 792 . 17 1 1 A 72 72 ASN CA C 72 56.222 55.432 0.790 1
1 793 . 17 1 1 A 72 72 ASN CB C 72 38.363 38.343 0.020 1
1 794 . 17 1 1 A 72 72 ASN N N 72 116.515 116.340 0.175 1
1 796 . 17 1 1 A 73 73 ARG H H 73 7.999 7.472 0.527 1
1 797 . 17 1 1 A 73 73 ARG HA H 73 3.416 3.617 -0.201 1
1 805 . 17 1 1 A 73 73 ARG C C 73 178.708 178.452 0.256 1
1 806 . 17 1 1 A 73 73 ARG CA C 73 57.403 58.849 -1.446 1
1 807 . 17 1 1 A 73 73 ARG CB C 73 28.264 28.911 -0.647 1
1 810 . 17 1 1 A 73 73 ARG N N 73 123.203 120.898 2.305 1
1 812 . 17 1 1 A 74 74 ARG H H 74 8.033 7.817 0.216 1
1 813 . 17 1 1 A 74 74 ARG HA H 74 4.017 4.202 -0.185 1
1 820 . 17 1 1 A 74 74 ARG C C 74 178.850 179.099 -0.249 1
1 821 . 17 1 1 A 74 74 ARG CA C 74 60.414 59.290 1.124 1
1 822 . 17 1 1 A 74 74 ARG CB C 74 31.221 29.941 1.280 1
1 825 . 17 1 1 A 74 74 ARG N N 74 116.187 118.716 -2.529 1
1 826 . 17 1 1 A 75 75 LYS H H 75 7.359 7.725 -0.366 1
1 827 . 17 1 1 A 75 75 LYS HA H 75 4.054 4.039 0.015 1
1 834 . 17 1 1 A 75 75 LYS C C 75 178.301 178.838 -0.537 1
1 835 . 17 1 1 A 75 75 LYS CA C 75 58.908 59.238 -0.330 1
1 836 . 17 1 1 A 75 75 LYS CB C 75 32.463 31.863 0.600 1
1 840 . 17 1 1 A 75 75 LYS N N 75 118.329 118.753 -0.424 1
1 841 . 17 1 1 A 76 76 GLU H H 76 7.769 7.531 0.238 1
1 842 . 17 1 1 A 76 76 GLU HA H 76 4.051 4.054 -0.003 1
1 847 . 17 1 1 A 76 76 GLU C C 76 178.261 179.034 -0.773 1
1 848 . 17 1 1 A 76 76 GLU CA C 76 58.200 58.959 -0.759 1
1 849 . 17 1 1 A 76 76 GLU CB C 76 29.841 29.482 0.359 1
1 851 . 17 1 1 A 76 76 GLU N N 76 119.947 118.693 1.254 1
1 852 . 17 1 1 A 77 77 ILE H H 77 7.826 7.683 0.143 1
1 853 . 17 1 1 A 77 77 ILE HA H 77 3.856 3.736 0.120 1
1 863 . 17 1 1 A 77 77 ILE C C 77 177.794 177.988 -0.194 1
1 864 . 17 1 1 A 77 77 ILE CA C 77 63.454 64.211 -0.757 1
1 865 . 17 1 1 A 77 77 ILE CB C 77 38.016 37.447 0.569 1
1 869 . 17 1 1 A 77 77 ILE N N 77 119.278 119.546 -0.268 1
1 870 . 17 1 1 A 78 78 LYS H H 78 7.802 7.849 -0.047 1
1 871 . 17 1 1 A 78 78 LYS HA H 78 4.196 3.901 0.295 1
1 878 . 17 1 1 A 78 78 LYS C C 78 177.591 177.932 -0.341 1
1 879 . 17 1 1 A 78 78 LYS CA C 78 57.728 59.091 -1.363 1
1 880 . 17 1 1 A 78 78 LYS CB C 78 32.601 31.995 0.606 1
1 884 . 17 1 1 A 78 78 LYS N N 78 122.041 121.439 0.602 1
1 885 . 17 1 1 A 79 79 ARG H H 79 8.053 7.917 0.136 1
1 886 . 17 1 1 A 79 79 ARG HA H 79 4.196 4.060 0.136 1
1 891 . 17 1 1 A 79 79 ARG C C 79 177.448 178.145 -0.697 1
1 892 . 17 1 1 A 79 79 ARG CA C 79 57.639 59.200 -1.561 1
1 893 . 17 1 1 A 79 79 ARG CB C 79 30.531 29.941 0.590 1
1 896 . 17 1 1 A 79 79 ARG N N 79 120.496 118.878 1.618 1
1 897 . 17 1 1 A 80 80 ARG H H 80 8.083 7.587 0.496 1
1 898 . 17 1 1 A 80 80 ARG HA H 80 4.193 4.080 0.113 1
1 904 . 17 1 1 A 80 80 ARG C C 80 176.786 177.801 -1.015 1
1 905 . 17 1 1 A 80 80 ARG CA C 80 57.196 58.693 -1.497 1
1 906 . 17 1 1 A 80 80 ARG CB C 80 30.531 29.778 0.753 1
1 909 . 17 1 1 A 80 80 ARG N N 80 120.092 119.381 0.711 1
1 910 . 17 1 1 A 81 81 ALA H H 81 8.062 7.502 0.560 1
1 911 . 17 1 1 A 81 81 ALA HA H 81 4.256 4.244 0.012 1
1 915 . 17 1 1 A 81 81 ALA C C 81 178.013 179.520 -1.507 1
1 916 . 17 1 1 A 81 81 ALA CA C 81 53.141 52.742 0.399 1
1 917 . 17 1 1 A 81 81 ALA CB C 81 19.003 19.287 -0.284 1
1 918 . 17 1 1 A 81 81 ALA N N 81 123.434 121.725 1.709 1
1 919 . 17 1 1 A 82 82 ASN H H 82 8.219 8.117 0.102 1
1 920 . 17 1 1 A 82 82 ASN HA H 82 4.661 4.494 0.167 1
1 925 . 17 1 1 A 82 82 ASN C C 82 175.620 176.759 -1.139 1
1 926 . 17 1 1 A 82 82 ASN CA C 82 53.686 55.727 -2.041 1
1 927 . 17 1 1 A 82 82 ASN CB C 82 38.672 39.093 -0.421 1
1 928 . 17 1 1 A 82 82 ASN N N 82 117.551 117.436 0.115 1
1 930 . 17 1 1 A 83 83 ILE H H 83 7.949 7.684 0.265 1
1 931 . 17 1 1 A 83 83 ILE HA H 83 4.077 4.248 -0.171 1
1 941 . 17 1 1 A 83 83 ILE C C 83 176.291 174.953 1.338 1
1 942 . 17 1 1 A 83 83 ILE CA C 83 61.695 60.724 0.971 1
1 943 . 17 1 1 A 83 83 ILE CB C 83 38.672 37.264 1.408 1
1 947 . 17 1 1 A 83 83 ILE N N 83 120.666 116.864 3.802 1
1 948 . 17 1 1 A 84 84 ALA H H 84 8.184 7.715 0.469 1
1 949 . 17 1 1 A 84 84 ALA HA H 84 4.262 3.929 0.333 1
1 953 . 17 1 1 A 84 84 ALA C C 84 177.794 176.455 1.339 1
1 954 . 17 1 1 A 84 84 ALA CA C 84 53.005 53.122 -0.117 1
1 955 . 17 1 1 A 84 84 ALA CB C 84 18.941 17.256 1.685 1
1 956 . 17 1 1 A 84 84 ALA N N 84 126.306 122.309 3.997 1
1 957 . 17 1 1 A 85 85 ALA H H 85 8.019 7.229 0.790 1
1 958 . 17 1 1 A 85 85 ALA HA H 85 4.263 4.271 -0.008 1
1 962 . 17 1 1 A 85 85 ALA C C 85 178.143 178.617 -0.474 1
1 963 . 17 1 1 A 85 85 ALA CA C 85 52.857 52.740 0.117 1
1 964 . 17 1 1 A 85 85 ALA CB C 85 19.170 19.252 -0.082 1
1 965 . 17 1 1 A 85 85 ALA N N 85 122.320 118.421 3.899 1
1 966 . 17 1 1 A 86 86 ILE H H 86 7.959 8.873 -0.914 1
1 967 . 17 1 1 A 86 86 ILE HA H 86 4.077 4.293 -0.216 1
1 977 . 17 1 1 A 86 86 ILE C C 86 176.697 175.812 0.885 1
1 978 . 17 1 1 A 86 86 ILE CA C 86 61.654 61.192 0.462 1
1 979 . 17 1 1 A 86 86 ILE CB C 86 38.603 37.491 1.112 1
1 983 . 17 1 1 A 86 86 ILE N N 86 119.762 125.000 -5.238 1
1 984 . 17 1 1 A 87 87 LEU H H 87 8.219 7.724 0.495 1
1 985 . 17 1 1 A 87 87 LEU HA H 87 4.340 4.541 -0.201 1
1 995 . 17 1 1 A 87 87 LEU C C 87 177.616 175.527 2.089 1
1 996 . 17 1 1 A 87 87 LEU CA C 87 55.425 53.643 1.782 1
1 997 . 17 1 1 A 87 87 LEU CB C 87 42.328 42.988 -0.660 1
1 1001 . 17 1 1 A 87 87 LEU N N 87 125.404 123.763 1.641 1
1 1002 . 17 1 1 A 88 88 GLU H H 88 8.321 7.579 0.742 1
1 1003 . 17 1 1 A 88 88 GLU HA H 88 4.287 4.704 -0.417 1
1 1008 . 17 1 1 A 88 88 GLU C C 88 176.636 173.773 2.863 1
1 1009 . 17 1 1 A 88 88 GLU CA C 88 56.872 56.405 0.467 1
1 1010 . 17 1 1 A 88 88 GLU CB C 88 30.186 33.814 -3.628 1
1 1012 . 17 1 1 A 88 88 GLU N N 88 121.673 122.261 -0.588 1
1 1013 . 17 1 1 A 89 89 SER H H 89 8.254 8.865 -0.611 1
1 1014 . 17 1 1 A 89 89 SER HA H 89 4.483 4.957 -0.474 1
1 1017 . 17 1 1 A 89 89 SER C C 89 174.693 173.092 1.601 1
1 1018 . 17 1 1 A 89 89 SER CA C 89 58.395 56.840 1.555 1
1 1019 . 17 1 1 A 89 89 SER CB C 89 64.017 63.548 0.469 1
1 1020 . 17 1 1 A 89 89 SER N N 89 116.276 120.822 -4.546 1
1 1021 . 17 1 1 A 90 90 SER H H 90 8.346 8.333 0.013 1
1 1022 . 17 1 1 A 90 90 SER HA H 90 4.478 4.991 -0.513 1
1 1024 . 17 1 1 A 90 90 SER C C 90 174.564 172.405 2.159 1
1 1025 . 17 1 1 A 90 90 SER CA C 90 58.525 57.511 1.014 1
1 1026 . 17 1 1 A 90 90 SER CB C 90 64.129 65.017 -0.888 1
1 1027 . 17 1 1 A 90 90 SER N N 90 117.689 121.032 -3.343 1
1 1028 . 17 1 1 A 91 91 GLY H H 91 8.213 8.792 -0.579 1
1 1029 . 17 1 1 A 91 91 GLY HA2 H 91 4.112 4.285 -0.173 1
1 1030 . 17 1 1 A 91 91 GLY HA3 H 91 4.112 4.286 -0.174 1
1 1031 . 17 1 1 A 91 91 GLY C C 91 171.803 172.601 -0.798 1
1 1032 . 17 1 1 A 91 91 GLY CA C 91 44.743 45.458 -0.715 1
1 1033 . 17 1 1 A 91 91 GLY N N 91 110.570 112.586 -2.016 1
1 1034 . 17 1 1 A 92 92 PRO HA H 92 4.530 4.573 -0.043 1
1 1035 . 17 1 1 A 93 93 SER HA H 93 4.498 4.531 -0.033 1
1 1037 . 17 1 1 A 93 93 SER C C 93 173.981 173.428 0.553 1
1 1038 . 17 1 1 A 93 93 SER CA C 93 57.378 58.169 -0.791 1
1 1039 . 17 1 1 A 93 93 SER CB C 93 58.505 64.126 -5.621 1
1 1040 . 17 1 1 A 94 94 SER H H 94 8.032 8.874 -0.842 1
1 1041 . 17 1 1 A 94 94 SER HA H 94 4.498 5.428 -0.930 1
1 1043 . 17 1 1 A 94 94 SER C C 94 173.955 172.973 0.982 1
1 1044 . 17 1 1 A 94 94 SER CA C 94 58.436 56.332 2.104 1
1 1045 . 17 1 1 A 94 94 SER CB C 94 64.017 66.625 -2.608 1
1 1046 . 17 1 1 A 94 94 SER N N 94 116.327 118.152 -1.825 1
1 1 . 18 1 1 A 11 11 ARG HA H 11 4.442 4.703 -0.261 1
1 6 . 18 1 1 A 11 11 ARG C C 11 175.365 174.373 0.992 1
1 7 . 18 1 1 A 11 11 ARG CA C 11 55.738 55.598 0.140 1
1 8 . 18 1 1 A 11 11 ARG CB C 11 31.419 34.582 -3.163 1
1 11 . 18 1 1 A 12 12 PHE H H 12 8.430 8.816 -0.386 1
1 12 . 18 1 1 A 12 12 PHE HA H 12 4.481 4.376 0.105 1
1 20 . 18 1 1 A 12 12 PHE C C 12 174.869 175.259 -0.390 1
1 21 . 18 1 1 A 12 12 PHE CA C 12 58.525 57.690 0.835 1
1 22 . 18 1 1 A 12 12 PHE CB C 12 39.955 39.587 0.368 1
1 28 . 18 1 1 A 12 12 PHE N N 12 123.637 121.905 1.732 1
1 29 . 18 1 1 A 13 13 THR H H 13 7.543 8.135 -0.592 1
1 30 . 18 1 1 A 13 13 THR HA H 13 4.216 4.133 0.083 1
1 35 . 18 1 1 A 13 13 THR C C 13 172.757 172.730 0.027 1
1 36 . 18 1 1 A 13 13 THR CA C 13 60.703 62.534 -1.831 1
1 37 . 18 1 1 A 13 13 THR CB C 13 70.578 69.359 1.219 1
1 39 . 18 1 1 A 13 13 THR N N 13 122.237 113.726 8.511 1
1 40 . 18 1 1 A 14 14 TRP H H 14 8.427 8.823 -0.396 1
1 41 . 18 1 1 A 14 14 TRP HA H 14 4.195 4.912 -0.717 1
1 50 . 18 1 1 A 14 14 TRP C C 14 177.225 175.829 1.396 1
1 51 . 18 1 1 A 14 14 TRP CA C 14 57.137 55.530 1.607 1
1 52 . 18 1 1 A 14 14 TRP CB C 14 29.919 32.864 -2.945 1
1 58 . 18 1 1 A 14 14 TRP N N 14 125.363 126.597 -1.234 1
1 60 . 18 1 1 A 15 15 ARG H H 15 8.790 9.199 -0.409 1
1 61 . 18 1 1 A 15 15 ARG HA H 15 4.436 4.596 -0.160 1
1 67 . 18 1 1 A 15 15 ARG C C 15 176.254 177.884 -1.630 1
1 68 . 18 1 1 A 15 15 ARG CA C 15 54.848 55.076 -0.228 1
1 69 . 18 1 1 A 15 15 ARG CB C 15 30.217 32.127 -1.910 1
1 72 . 18 1 1 A 15 15 ARG N N 15 124.453 123.031 1.422 1
1 73 . 18 1 1 A 16 16 LYS H H 16 7.990 8.818 -0.828 1
1 74 . 18 1 1 A 16 16 LYS HA H 16 3.949 3.954 -0.005 1
1 81 . 18 1 1 A 16 16 LYS C C 16 179.133 178.434 0.699 1
1 82 . 18 1 1 A 16 16 LYS CA C 16 60.206 59.677 0.529 1
1 83 . 18 1 1 A 16 16 LYS CB C 16 32.102 32.083 0.019 1
1 87 . 18 1 1 A 16 16 LYS N N 16 120.654 123.265 -2.611 1
1 88 . 18 1 1 A 17 17 GLU H H 17 10.775 8.296 2.479 1
1 89 . 18 1 1 A 17 17 GLU HA H 17 4.126 4.029 0.097 1
1 94 . 18 1 1 A 17 17 GLU C C 17 179.581 179.228 0.353 1
1 95 . 18 1 1 A 17 17 GLU CA C 17 60.262 59.236 1.026 1
1 96 . 18 1 1 A 17 17 GLU CB C 17 28.944 29.823 -0.879 1
1 98 . 18 1 1 A 17 17 GLU N N 17 119.914 120.253 -0.339 1
1 99 . 18 1 1 A 18 18 CYS H H 18 7.314 8.320 -1.006 1
1 100 . 18 1 1 A 18 18 CYS HA H 18 4.166 4.269 -0.103 1
1 103 . 18 1 1 A 18 18 CYS C C 18 176.250 177.431 -1.181 1
1 104 . 18 1 1 A 18 18 CYS CA C 18 61.093 63.215 -2.122 1
1 105 . 18 1 1 A 18 18 CYS CB C 18 27.636 26.930 0.706 1
1 106 . 18 1 1 A 18 18 CYS N N 18 115.339 118.969 -3.630 1
1 107 . 18 1 1 A 19 19 LEU H H 19 7.975 8.251 -0.276 1
1 108 . 18 1 1 A 19 19 LEU HA H 19 3.365 3.526 -0.161 1
1 118 . 18 1 1 A 19 19 LEU C C 19 178.119 178.581 -0.462 1
1 119 . 18 1 1 A 19 19 LEU CA C 19 58.084 57.631 0.453 1
1 120 . 18 1 1 A 19 19 LEU CB C 19 40.713 40.817 -0.104 1
1 124 . 18 1 1 A 19 19 LEU N N 19 120.346 122.880 -2.534 1
1 125 . 18 1 1 A 20 20 ALA H H 20 7.481 7.992 -0.511 1
1 126 . 18 1 1 A 20 20 ALA HA H 20 4.079 3.898 0.181 1
1 130 . 18 1 1 A 20 20 ALA C C 20 180.800 180.077 0.723 1
1 131 . 18 1 1 A 20 20 ALA CA C 20 55.172 55.291 -0.119 1
1 132 . 18 1 1 A 20 20 ALA CB C 20 17.975 17.965 0.010 1
1 133 . 18 1 1 A 20 20 ALA N N 20 119.101 122.068 -2.967 1
1 134 . 18 1 1 A 21 21 VAL H H 21 6.932 7.325 -0.393 1
1 135 . 18 1 1 A 21 21 VAL HA H 21 3.752 3.447 0.305 1
1 143 . 18 1 1 A 21 21 VAL C C 21 178.850 178.153 0.697 1
1 144 . 18 1 1 A 21 21 VAL CA C 21 66.018 67.435 -1.417 1
1 145 . 18 1 1 A 21 21 VAL CB C 21 32.168 31.535 0.633 1
1 148 . 18 1 1 A 21 21 VAL N N 21 118.965 117.665 1.300 1
1 149 . 18 1 1 A 22 22 MET H H 22 7.925 7.600 0.325 1
1 150 . 18 1 1 A 22 22 MET HA H 22 3.894 4.134 -0.240 1
1 158 . 18 1 1 A 22 22 MET C C 22 177.997 178.663 -0.666 1
1 159 . 18 1 1 A 22 22 MET CA C 22 60.060 58.987 1.073 1
1 160 . 18 1 1 A 22 22 MET CB C 22 30.494 32.409 -1.915 1
1 163 . 18 1 1 A 22 22 MET N N 22 118.668 116.946 1.722 1
1 164 . 18 1 1 A 23 23 GLU H H 23 8.452 7.880 0.572 1
1 165 . 18 1 1 A 23 23 GLU HA H 23 4.048 4.053 -0.005 1
1 170 . 18 1 1 A 23 23 GLU C C 23 178.809 178.907 -0.098 1
1 171 . 18 1 1 A 23 23 GLU CA C 23 59.676 59.276 0.400 1
1 172 . 18 1 1 A 23 23 GLU CB C 23 29.289 29.521 -0.232 1
1 174 . 18 1 1 A 23 23 GLU N N 23 118.239 119.139 -0.900 1
1 175 . 18 1 1 A 24 24 SER H H 24 7.431 7.556 -0.125 1
1 176 . 18 1 1 A 24 24 SER HA H 24 4.279 4.273 0.006 1
1 179 . 18 1 1 A 24 24 SER C C 24 177.916 177.281 0.635 1
1 180 . 18 1 1 A 24 24 SER CA C 24 61.785 61.602 0.183 1
1 181 . 18 1 1 A 24 24 SER CB C 24 62.616 63.127 -0.511 1
1 182 . 18 1 1 A 24 24 SER N N 24 113.792 115.908 -2.116 1
1 183 . 18 1 1 A 25 25 TYR H H 25 7.845 8.263 -0.418 1
1 184 . 18 1 1 A 25 25 TYR HA H 25 4.354 4.347 0.007 1
1 191 . 18 1 1 A 25 25 TYR C C 25 178.789 178.899 -0.110 1
1 192 . 18 1 1 A 25 25 TYR CA C 25 63.193 60.753 2.440 1
1 193 . 18 1 1 A 25 25 TYR CB C 25 38.706 37.690 1.016 1
1 198 . 18 1 1 A 25 25 TYR N N 25 120.184 119.344 0.840 1
1 199 . 18 1 1 A 26 26 PHE H H 26 9.279 8.308 0.971 1
1 200 . 18 1 1 A 26 26 PHE HA H 26 4.237 4.801 -0.564 1
1 208 . 18 1 1 A 26 26 PHE C C 26 175.885 177.943 -2.058 1
1 209 . 18 1 1 A 26 26 PHE CA C 26 62.008 61.571 0.437 1
1 210 . 18 1 1 A 26 26 PHE CB C 26 39.072 39.021 0.051 1
1 216 . 18 1 1 A 26 26 PHE N N 26 123.634 120.720 2.914 1
1 217 . 18 1 1 A 27 27 ASN H H 27 7.807 8.159 -0.352 1
1 218 . 18 1 1 A 27 27 ASN HA H 27 4.409 4.436 -0.027 1
1 223 . 18 1 1 A 27 27 ASN C C 27 176.108 177.623 -1.515 1
1 224 . 18 1 1 A 27 27 ASN CA C 27 55.307 56.507 -1.200 1
1 225 . 18 1 1 A 27 27 ASN CB C 27 38.810 37.921 0.889 1
1 226 . 18 1 1 A 27 27 ASN N N 27 112.896 117.117 -4.221 1
1 228 . 18 1 1 A 28 28 GLU H H 28 7.431 8.107 -0.676 1
1 229 . 18 1 1 A 28 28 GLU HA H 28 4.274 4.246 0.028 1
1 234 . 18 1 1 A 28 28 GLU C C 28 176.880 176.435 0.445 1
1 235 . 18 1 1 A 28 28 GLU CA C 28 57.875 58.082 -0.207 1
1 236 . 18 1 1 A 28 28 GLU CB C 28 30.965 29.277 1.688 1
1 238 . 18 1 1 A 28 28 GLU N N 28 117.899 114.683 3.216 1
1 239 . 18 1 1 A 29 29 ASN H H 29 7.950 7.913 0.037 1
1 240 . 18 1 1 A 29 29 ASN HA H 29 4.562 4.975 -0.413 1
1 245 . 18 1 1 A 29 29 ASN C C 29 174.036 174.821 -0.785 1
1 246 . 18 1 1 A 29 29 ASN CA C 29 53.654 52.967 0.687 1
1 247 . 18 1 1 A 29 29 ASN CB C 29 39.361 40.796 -1.435 1
1 248 . 18 1 1 A 29 29 ASN N N 29 116.656 117.197 -0.541 1
1 250 . 18 1 1 A 30 30 GLN H H 30 8.658 8.433 0.225 1
1 251 . 18 1 1 A 30 30 GLN HA H 30 3.848 3.212 0.636 1
1 258 . 18 1 1 A 30 30 GLN C C 30 174.503 175.511 -1.008 1
1 259 . 18 1 1 A 30 30 GLN CA C 30 57.336 58.000 -0.664 1
1 260 . 18 1 1 A 30 30 GLN CB C 30 27.978 29.020 -1.042 1
1 262 . 18 1 1 A 30 30 GLN N N 30 122.486 123.292 -0.806 1
1 264 . 18 1 1 A 31 31 TYR H H 31 8.181 7.998 0.183 1
1 265 . 18 1 1 A 31 31 TYR HA H 31 4.769 5.087 -0.318 1
1 272 . 18 1 1 A 31 31 TYR C C 31 172.816 173.420 -0.604 1
1 273 . 18 1 1 A 31 31 TYR CA C 31 55.409 54.126 1.283 1
1 274 . 18 1 1 A 31 31 TYR CB C 31 38.938 38.869 0.069 1
1 279 . 18 1 1 A 31 31 TYR N N 31 116.012 117.138 -1.126 1
1 280 . 18 1 1 A 32 32 PRO HA H 32 4.320 4.599 -0.279 1
1 287 . 18 1 1 A 32 32 PRO C C 32 177.530 176.944 0.586 1
1 288 . 18 1 1 A 32 32 PRO CA C 32 63.041 62.639 0.402 1
1 289 . 18 1 1 A 32 32 PRO CB C 32 31.052 31.787 -0.735 1
1 292 . 18 1 1 A 33 33 ASP H H 33 8.439 8.451 -0.012 1
1 293 . 18 1 1 A 33 33 ASP HA H 33 4.475 4.635 -0.160 1
1 296 . 18 1 1 A 33 33 ASP C C 33 175.397 177.548 -2.151 1
1 297 . 18 1 1 A 33 33 ASP CA C 33 52.562 54.406 -1.844 1
1 298 . 18 1 1 A 33 33 ASP CB C 33 40.363 41.942 -1.579 1
1 299 . 18 1 1 A 33 33 ASP N N 33 125.278 122.184 3.094 1
1 300 . 18 1 1 A 34 34 GLU H H 34 8.644 8.837 -0.193 1
1 301 . 18 1 1 A 34 34 GLU HA H 34 3.613 3.835 -0.222 1
1 306 . 18 1 1 A 34 34 GLU C C 34 178.261 178.393 -0.132 1
1 307 . 18 1 1 A 34 34 GLU CA C 34 61.565 59.124 2.441 1
1 308 . 18 1 1 A 34 34 GLU CB C 34 29.289 29.424 -0.135 1
1 310 . 18 1 1 A 34 34 GLU N N 34 118.756 121.263 -2.507 1
1 311 . 18 1 1 A 35 35 ALA H H 35 8.121 8.158 -0.037 1
1 312 . 18 1 1 A 35 35 ALA HA H 35 4.155 4.052 0.103 1
1 316 . 18 1 1 A 35 35 ALA C C 35 181.307 179.420 1.887 1
1 317 . 18 1 1 A 35 35 ALA CA C 35 54.953 55.152 -0.199 1
1 318 . 18 1 1 A 35 35 ALA CB C 35 17.975 18.334 -0.359 1
1 319 . 18 1 1 A 35 35 ALA N N 35 121.196 122.178 -0.982 1
1 320 . 18 1 1 A 36 36 LYS H H 36 8.448 7.923 0.525 1
1 321 . 18 1 1 A 36 36 LYS HA H 36 4.157 4.032 0.125 1
1 330 . 18 1 1 A 36 36 LYS C C 36 178.769 178.652 0.117 1
1 331 . 18 1 1 A 36 36 LYS CA C 36 56.576 59.732 -3.156 1
1 332 . 18 1 1 A 36 36 LYS CB C 36 29.689 32.325 -2.636 1
1 336 . 18 1 1 A 36 36 LYS N N 36 121.690 118.291 3.399 1
1 337 . 18 1 1 A 37 37 ARG H H 37 8.977 8.104 0.873 1
1 338 . 18 1 1 A 37 37 ARG HA H 37 3.711 3.953 -0.242 1
1 345 . 18 1 1 A 37 37 ARG C C 37 178.444 178.844 -0.400 1
1 346 . 18 1 1 A 37 37 ARG CA C 37 61.131 59.446 1.685 1
1 347 . 18 1 1 A 37 37 ARG CB C 37 30.941 29.685 1.256 1
1 350 . 18 1 1 A 37 37 ARG N N 37 117.588 118.918 -1.330 1
1 351 . 18 1 1 A 38 38 GLU H H 38 7.750 7.965 -0.215 1
1 352 . 18 1 1 A 38 38 GLU HA H 38 4.083 4.154 -0.071 1
1 357 . 18 1 1 A 38 38 GLU C C 38 178.301 179.669 -1.368 1
1 358 . 18 1 1 A 38 38 GLU CA C 38 59.321 58.202 1.119 1
1 359 . 18 1 1 A 38 38 GLU CB C 38 29.013 29.403 -0.390 1
1 361 . 18 1 1 A 38 38 GLU N N 38 119.080 119.429 -0.349 1
1 362 . 18 1 1 A 39 39 GLU H H 39 7.540 7.815 -0.275 1
1 363 . 18 1 1 A 39 39 GLU HA H 39 4.048 4.113 -0.065 1
1 368 . 18 1 1 A 39 39 GLU C C 39 179.784 178.742 1.042 1
1 369 . 18 1 1 A 39 39 GLU CA C 39 59.646 59.075 0.571 1
1 370 . 18 1 1 A 39 39 GLU CB C 39 29.409 29.701 -0.292 1
1 372 . 18 1 1 A 39 39 GLU N N 39 121.188 119.521 1.667 1
1 373 . 18 1 1 A 40 40 ILE H H 40 8.634 7.734 0.900 1
1 374 . 18 1 1 A 40 40 ILE HA H 40 3.133 3.387 -0.254 1
1 384 . 18 1 1 A 40 40 ILE C C 40 178.119 177.702 0.417 1
1 385 . 18 1 1 A 40 40 ILE CA C 40 65.462 62.861 2.601 1
1 386 . 18 1 1 A 40 40 ILE CB C 40 37.951 36.674 1.277 1
1 390 . 18 1 1 A 40 40 ILE N N 40 121.126 120.071 1.055 1
1 391 . 18 1 1 A 41 41 ALA H H 41 8.462 8.001 0.461 1
1 392 . 18 1 1 A 41 41 ALA HA H 41 3.713 3.976 -0.263 1
1 396 . 18 1 1 A 41 41 ALA C C 41 178.850 179.915 -1.065 1
1 397 . 18 1 1 A 41 41 ALA CA C 41 56.014 55.331 0.683 1
1 398 . 18 1 1 A 41 41 ALA CB C 41 16.779 17.758 -0.979 1
1 399 . 18 1 1 A 41 41 ALA N N 41 123.029 123.624 -0.595 1
1 400 . 18 1 1 A 42 42 ASN H H 42 8.264 8.451 -0.187 1
1 401 . 18 1 1 A 42 42 ASN HA H 42 4.521 4.429 0.092 1
1 406 . 18 1 1 A 42 42 ASN C C 42 178.220 177.516 0.704 1
1 407 . 18 1 1 A 42 42 ASN CA C 42 56.193 55.760 0.433 1
1 408 . 18 1 1 A 42 42 ASN CB C 42 37.775 37.875 -0.100 1
1 409 . 18 1 1 A 42 42 ASN N N 42 115.462 117.979 -2.517 1
1 411 . 18 1 1 A 43 43 ALA H H 43 8.403 7.726 0.677 1
1 412 . 18 1 1 A 43 43 ALA HA H 43 4.273 4.073 0.200 1
1 416 . 18 1 1 A 43 43 ALA C C 43 180.962 180.150 0.812 1
1 417 . 18 1 1 A 43 43 ALA CA C 43 55.200 55.047 0.153 1
1 418 . 18 1 1 A 43 43 ALA CB C 43 18.478 17.984 0.494 1
1 419 . 18 1 1 A 43 43 ALA N N 43 125.139 122.692 2.447 1
1 420 . 18 1 1 A 44 44 CYS H H 44 8.457 7.733 0.724 1
1 421 . 18 1 1 A 44 44 CYS HA H 44 4.156 4.125 0.031 1
1 424 . 18 1 1 A 44 44 CYS C C 44 176.534 177.260 -0.726 1
1 425 . 18 1 1 A 44 44 CYS CA C 44 64.768 63.732 1.036 1
1 426 . 18 1 1 A 44 44 CYS CB C 44 27.644 27.105 0.539 1
1 427 . 18 1 1 A 44 44 CYS N N 44 116.609 116.237 0.372 1
1 428 . 18 1 1 A 45 45 ASN H H 45 8.346 7.849 0.497 1
1 429 . 18 1 1 A 45 45 ASN HA H 45 4.613 4.512 0.101 1
1 434 . 18 1 1 A 45 45 ASN C C 45 177.631 177.653 -0.022 1
1 435 . 18 1 1 A 45 45 ASN CA C 45 55.723 56.106 -0.383 1
1 436 . 18 1 1 A 45 45 ASN CB C 45 37.526 37.962 -0.436 1
1 437 . 18 1 1 A 45 45 ASN N N 45 117.491 118.473 -0.982 1
1 439 . 18 1 1 A 46 46 ALA H H 46 8.014 7.675 0.339 1
1 440 . 18 1 1 A 46 46 ALA HA H 46 4.200 4.074 0.126 1
1 444 . 18 1 1 A 46 46 ALA C C 46 180.292 179.730 0.562 1
1 445 . 18 1 1 A 46 46 ALA CA C 46 54.805 55.085 -0.280 1
1 446 . 18 1 1 A 46 46 ALA CB C 46 18.283 18.345 -0.062 1
1 447 . 18 1 1 A 46 46 ALA N N 46 120.198 123.547 -3.349 1
1 448 . 18 1 1 A 47 47 VAL H H 47 7.240 8.101 -0.861 1
1 449 . 18 1 1 A 47 47 VAL HA H 47 4.306 3.798 0.508 1
1 457 . 18 1 1 A 47 47 VAL C C 47 177.083 177.775 -0.692 1
1 458 . 18 1 1 A 47 47 VAL CA C 47 63.484 65.565 -2.081 1
1 459 . 18 1 1 A 47 47 VAL CB C 47 31.935 31.463 0.472 1
1 462 . 18 1 1 A 47 47 VAL N N 47 110.165 116.484 -6.319 1
1 463 . 18 1 1 A 48 48 ILE H H 48 7.146 7.441 -0.295 1
1 464 . 18 1 1 A 48 48 ILE HA H 48 4.473 4.099 0.374 1
1 474 . 18 1 1 A 48 48 ILE C C 48 175.966 176.067 -0.101 1
1 475 . 18 1 1 A 48 48 ILE CA C 48 62.055 63.525 -1.470 1
1 476 . 18 1 1 A 48 48 ILE CB C 48 39.444 38.042 1.402 1
1 480 . 18 1 1 A 48 48 ILE N N 48 112.085 117.487 -5.402 1
1 481 . 18 1 1 A 49 49 GLN H H 49 7.671 8.144 -0.473 1
1 482 . 18 1 1 A 49 49 GLN HA H 49 4.254 4.101 0.153 1
1 489 . 18 1 1 A 49 49 GLN C C 49 175.417 175.373 0.044 1
1 490 . 18 1 1 A 49 49 GLN CA C 49 56.370 56.590 -0.220 1
1 491 . 18 1 1 A 49 49 GLN CB C 49 29.289 29.063 0.226 1
1 493 . 18 1 1 A 49 49 GLN N N 49 123.076 123.389 -0.313 1
1 495 . 18 1 1 A 50 50 LYS H H 50 8.932 8.596 0.336 1
1 496 . 18 1 1 A 50 50 LYS HA H 50 4.760 4.745 0.015 1
1 502 . 18 1 1 A 50 50 LYS C C 50 174.497 174.160 0.337 1
1 503 . 18 1 1 A 50 50 LYS CA C 50 53.341 53.203 0.138 1
1 504 . 18 1 1 A 50 50 LYS CB C 50 32.860 33.246 -0.386 1
1 506 . 18 1 1 A 50 50 LYS N N 50 127.505 126.556 0.949 1
1 507 . 18 1 1 A 51 51 PRO HA H 51 4.328 4.301 0.027 1
1 514 . 18 1 1 A 51 51 PRO CA C 51 64.015 63.748 0.267 1
1 515 . 18 1 1 A 51 51 PRO CB C 51 31.590 31.260 0.330 1
1 518 . 18 1 1 A 52 52 GLY H H 52 8.752 8.786 -0.034 1
1 519 . 18 1 1 A 52 52 GLY HA2 H 52 4.113 3.991 0.122 1
1 520 . 18 1 1 A 52 52 GLY HA3 H 52 3.728 3.991 -0.263 1
1 521 . 18 1 1 A 52 52 GLY C C 52 173.732 173.624 0.108 1
1 522 . 18 1 1 A 52 52 GLY CA C 52 45.646 45.743 -0.097 1
1 523 . 18 1 1 A 53 53 LYS H H 53 7.734 7.480 0.254 1
1 524 . 18 1 1 A 53 53 LYS HA H 53 4.621 4.879 -0.258 1
1 531 . 18 1 1 A 53 53 LYS C C 53 175.681 174.530 1.151 1
1 532 . 18 1 1 A 53 53 LYS CA C 53 54.451 54.176 0.275 1
1 533 . 18 1 1 A 53 53 LYS CB C 53 34.466 36.086 -1.620 1
1 537 . 18 1 1 A 53 53 LYS N N 53 120.205 119.982 0.223 1
1 538 . 18 1 1 A 54 54 LYS H H 54 8.536 8.840 -0.304 1
1 539 . 18 1 1 A 54 54 LYS HA H 54 4.412 5.012 -0.600 1
1 546 . 18 1 1 A 54 54 LYS C C 54 177.022 175.960 1.062 1
1 547 . 18 1 1 A 54 54 LYS CA C 54 55.691 54.430 1.261 1
1 548 . 18 1 1 A 54 54 LYS CB C 54 33.453 35.335 -1.882 1
1 552 . 18 1 1 A 54 54 LYS N N 54 124.424 123.662 0.762 1
1 553 . 18 1 1 A 55 55 LEU H H 55 8.656 8.778 -0.122 1
1 554 . 18 1 1 A 55 55 LEU HA H 55 4.407 4.316 0.091 1
1 564 . 18 1 1 A 55 55 LEU C C 55 177.448 176.472 0.976 1
1 565 . 18 1 1 A 55 55 LEU CA C 55 54.670 55.267 -0.597 1
1 566 . 18 1 1 A 55 55 LEU CB C 55 43.243 42.156 1.087 1
1 570 . 18 1 1 A 55 55 LEU N N 55 126.145 127.765 -1.620 1
1 571 . 18 1 1 A 56 56 SER H H 56 9.313 8.820 0.493 1
1 572 . 18 1 1 A 56 56 SER HA H 56 4.496 4.753 -0.257 1
1 575 . 18 1 1 A 56 56 SER C C 56 175.226 175.142 0.084 1
1 576 . 18 1 1 A 56 56 SER CA C 56 57.507 57.032 0.475 1
1 577 . 18 1 1 A 56 56 SER CB C 56 64.802 65.804 -1.002 1
1 578 . 18 1 1 A 56 56 SER N N 56 121.790 117.455 4.335 1
1 579 . 18 1 1 A 57 57 ASP H H 57 8.929 9.102 -0.173 1
1 580 . 18 1 1 A 57 57 ASP HA H 57 4.314 4.276 0.038 1
1 583 . 18 1 1 A 57 57 ASP C C 57 177.855 178.518 -0.663 1
1 584 . 18 1 1 A 57 57 ASP CA C 57 57.403 56.578 0.825 1
1 585 . 18 1 1 A 57 57 ASP CB C 57 40.353 39.979 0.374 1
1 586 . 18 1 1 A 58 58 LEU H H 58 7.824 7.845 -0.021 1
1 587 . 18 1 1 A 58 58 LEU HA H 58 4.194 4.058 0.136 1
1 597 . 18 1 1 A 58 58 LEU C C 58 177.509 178.247 -0.738 1
1 598 . 18 1 1 A 58 58 LEU CA C 58 56.754 57.387 -0.633 1
1 599 . 18 1 1 A 58 58 LEU CB C 58 42.259 41.666 0.593 1
1 603 . 18 1 1 A 58 58 LEU N N 58 117.552 120.787 -3.235 1
1 604 . 18 1 1 A 59 59 GLU H H 59 7.325 7.624 -0.299 1
1 605 . 18 1 1 A 59 59 GLU HA H 59 4.286 4.475 -0.189 1
1 610 . 18 1 1 A 59 59 GLU C C 59 175.661 176.458 -0.797 1
1 611 . 18 1 1 A 59 59 GLU CA C 59 56.370 56.145 0.225 1
1 612 . 18 1 1 A 59 59 GLU CB C 59 32.314 30.473 1.841 1
1 614 . 18 1 1 A 59 59 GLU N N 59 115.631 116.178 -0.547 1
1 615 . 18 1 1 A 60 60 ARG H H 60 7.408 7.965 -0.557 1
1 616 . 18 1 1 A 60 60 ARG HA H 60 3.948 4.582 -0.634 1
1 623 . 18 1 1 A 60 60 ARG C C 60 175.194 175.086 0.108 1
1 624 . 18 1 1 A 60 60 ARG CA C 60 57.167 56.504 0.663 1
1 625 . 18 1 1 A 60 60 ARG CB C 60 31.083 30.640 0.443 1
1 628 . 18 1 1 A 60 60 ARG N N 60 118.018 122.409 -4.391 1
1 629 . 18 1 1 A 61 61 VAL H H 61 10.175 9.358 0.817 1
1 630 . 18 1 1 A 61 61 VAL HA H 61 3.462 4.398 -0.936 1
1 638 . 18 1 1 A 61 61 VAL C C 61 175.681 176.152 -0.471 1
1 639 . 18 1 1 A 61 61 VAL CA C 61 65.077 61.660 3.417 1
1 640 . 18 1 1 A 61 61 VAL CB C 61 31.702 31.737 -0.035 1
1 643 . 18 1 1 A 61 61 VAL N N 61 128.658 127.633 1.025 1
1 644 . 18 1 1 A 62 62 THR H H 62 6.270 8.706 -2.436 1
1 645 . 18 1 1 A 62 62 THR HA H 62 4.780 4.733 0.047 1
1 650 . 18 1 1 A 62 62 THR C C 62 175.064 176.209 -1.145 1
1 651 . 18 1 1 A 62 62 THR CA C 62 58.600 60.295 -1.695 1
1 652 . 18 1 1 A 62 62 THR CB C 62 72.355 71.259 1.096 1
1 654 . 18 1 1 A 62 62 THR N N 62 114.178 120.916 -6.738 1
1 655 . 18 1 1 A 63 63 SER HA H 63 3.869 4.130 -0.261 1
1 658 . 18 1 1 A 63 63 SER C C 63 176.656 176.642 0.014 1
1 659 . 18 1 1 A 63 63 SER CA C 63 61.433 61.998 -0.565 1
1 660 . 18 1 1 A 63 63 SER CB C 63 62.197 62.529 -0.332 1
1 661 . 18 1 1 A 64 64 LEU H H 64 8.062 8.048 0.014 1
1 662 . 18 1 1 A 64 64 LEU HA H 64 4.367 4.179 0.188 1
1 672 . 18 1 1 A 64 64 LEU C C 64 178.789 179.110 -0.321 1
1 673 . 18 1 1 A 64 64 LEU CA C 64 57.964 57.831 0.133 1
1 674 . 18 1 1 A 64 64 LEU CB C 64 42.052 41.893 0.159 1
1 678 . 18 1 1 A 64 64 LEU N N 64 123.294 124.655 -1.361 1
1 679 . 18 1 1 A 65 65 LYS H H 65 7.524 7.822 -0.298 1
1 680 . 18 1 1 A 65 65 LYS HA H 65 4.292 4.128 0.164 1
1 689 . 18 1 1 A 65 65 LYS C C 65 180.779 179.678 1.101 1
1 690 . 18 1 1 A 65 65 LYS CA C 65 60.266 59.630 0.636 1
1 691 . 18 1 1 A 65 65 LYS CB C 65 32.808 32.467 0.341 1
1 695 . 18 1 1 A 65 65 LYS N N 65 119.262 118.941 0.321 1
1 696 . 18 1 1 A 66 66 VAL H H 66 8.290 7.898 0.392 1
1 697 . 18 1 1 A 66 66 VAL HA H 66 4.075 3.922 0.153 1
1 705 . 18 1 1 A 66 66 VAL C C 66 177.509 177.978 -0.469 1
1 706 . 18 1 1 A 66 66 VAL CA C 66 66.963 66.664 0.299 1
1 707 . 18 1 1 A 66 66 VAL CB C 66 32.419 31.684 0.735 1
1 710 . 18 1 1 A 66 66 VAL N N 66 119.900 120.536 -0.636 1
1 711 . 18 1 1 A 67 67 TYR H H 67 8.893 8.360 0.533 1
1 712 . 18 1 1 A 67 67 TYR HA H 67 3.857 4.249 -0.392 1
1 719 . 18 1 1 A 67 67 TYR C C 67 177.956 178.083 -0.127 1
1 720 . 18 1 1 A 67 67 TYR CA C 67 62.897 61.705 1.192 1
1 721 . 18 1 1 A 67 67 TYR CB C 67 38.326 38.656 -0.330 1
1 726 . 18 1 1 A 67 67 TYR N N 67 120.861 121.191 -0.330 1
1 727 . 18 1 1 A 68 68 ASN H H 68 8.561 8.208 0.353 1
1 728 . 18 1 1 A 68 68 ASN HA H 68 4.545 4.498 0.047 1
1 733 . 18 1 1 A 68 68 ASN C C 68 177.570 178.272 -0.702 1
1 734 . 18 1 1 A 68 68 ASN CA C 68 56.222 56.635 -0.413 1
1 735 . 18 1 1 A 68 68 ASN CB C 68 38.465 38.434 0.031 1
1 736 . 18 1 1 A 68 68 ASN N N 68 117.386 117.318 0.068 1
1 738 . 18 1 1 A 69 69 TRP H H 69 8.655 8.204 0.451 1
1 739 . 18 1 1 A 69 69 TRP HA H 69 4.151 4.404 -0.253 1
1 748 . 18 1 1 A 69 69 TRP C C 69 179.764 178.346 1.418 1
1 749 . 18 1 1 A 69 69 TRP CA C 69 63.194 61.383 1.811 1
1 750 . 18 1 1 A 69 69 TRP CB C 69 29.720 29.674 0.046 1
1 756 . 18 1 1 A 69 69 TRP N N 69 123.454 122.857 0.597 1
1 758 . 18 1 1 A 70 70 PHE H H 70 9.166 8.562 0.604 1
1 759 . 18 1 1 A 70 70 PHE HA H 70 3.745 4.430 -0.685 1
1 767 . 18 1 1 A 70 70 PHE C C 70 177.469 178.419 -0.950 1
1 768 . 18 1 1 A 70 70 PHE CA C 70 62.862 61.570 1.292 1
1 769 . 18 1 1 A 70 70 PHE CB C 70 39.115 38.265 0.850 1
1 775 . 18 1 1 A 70 70 PHE N N 70 120.259 118.346 1.913 1
1 776 . 18 1 1 A 71 71 ALA H H 71 8.169 8.350 -0.181 1
1 777 . 18 1 1 A 71 71 ALA HA H 71 3.868 3.945 -0.077 1
1 781 . 18 1 1 A 71 71 ALA C C 71 180.698 179.971 0.727 1
1 782 . 18 1 1 A 71 71 ALA CA C 71 55.307 55.093 0.214 1
1 783 . 18 1 1 A 71 71 ALA CB C 71 17.697 17.994 -0.297 1
1 784 . 18 1 1 A 71 71 ALA N N 71 120.051 122.167 -2.116 1
1 785 . 18 1 1 A 72 72 ASN H H 72 7.789 7.868 -0.079 1
1 786 . 18 1 1 A 72 72 ASN HA H 72 4.280 4.324 -0.044 1
1 791 . 18 1 1 A 72 72 ASN C C 72 177.022 177.679 -0.657 1
1 792 . 18 1 1 A 72 72 ASN CA C 72 56.222 56.157 0.065 1
1 793 . 18 1 1 A 72 72 ASN CB C 72 38.363 38.682 -0.319 1
1 794 . 18 1 1 A 72 72 ASN N N 72 116.515 116.560 -0.045 1
1 796 . 18 1 1 A 73 73 ARG H H 73 7.999 7.553 0.446 1
1 797 . 18 1 1 A 73 73 ARG HA H 73 3.416 3.685 -0.269 1
1 805 . 18 1 1 A 73 73 ARG C C 73 178.708 178.531 0.177 1
1 806 . 18 1 1 A 73 73 ARG CA C 73 57.403 58.972 -1.569 1
1 807 . 18 1 1 A 73 73 ARG CB C 73 28.264 29.286 -1.022 1
1 810 . 18 1 1 A 73 73 ARG N N 73 123.203 119.527 3.676 1
1 812 . 18 1 1 A 74 74 ARG H H 74 8.033 8.013 0.020 1
1 813 . 18 1 1 A 74 74 ARG HA H 74 4.017 4.143 -0.126 1
1 820 . 18 1 1 A 74 74 ARG C C 74 178.850 178.990 -0.140 1
1 821 . 18 1 1 A 74 74 ARG CA C 74 60.414 59.520 0.894 1
1 822 . 18 1 1 A 74 74 ARG CB C 74 31.221 30.012 1.209 1
1 825 . 18 1 1 A 74 74 ARG N N 74 116.187 118.676 -2.489 1
1 826 . 18 1 1 A 75 75 LYS H H 75 7.359 7.880 -0.521 1
1 827 . 18 1 1 A 75 75 LYS HA H 75 4.054 4.040 0.014 1
1 834 . 18 1 1 A 75 75 LYS C C 75 178.301 179.091 -0.790 1
1 835 . 18 1 1 A 75 75 LYS CA C 75 58.908 59.272 -0.364 1
1 836 . 18 1 1 A 75 75 LYS CB C 75 32.463 32.010 0.453 1
1 840 . 18 1 1 A 75 75 LYS N N 75 118.329 118.607 -0.278 1
1 841 . 18 1 1 A 76 76 GLU H H 76 7.769 7.652 0.117 1
1 842 . 18 1 1 A 76 76 GLU HA H 76 4.051 4.011 0.040 1
1 847 . 18 1 1 A 76 76 GLU C C 76 178.261 178.913 -0.652 1
1 848 . 18 1 1 A 76 76 GLU CA C 76 58.200 59.089 -0.889 1
1 849 . 18 1 1 A 76 76 GLU CB C 76 29.841 29.511 0.330 1
1 851 . 18 1 1 A 76 76 GLU N N 76 119.947 118.925 1.022 1
1 852 . 18 1 1 A 77 77 ILE H H 77 7.826 7.639 0.187 1
1 853 . 18 1 1 A 77 77 ILE HA H 77 3.856 3.800 0.056 1
1 863 . 18 1 1 A 77 77 ILE C C 77 177.794 177.945 -0.151 1
1 864 . 18 1 1 A 77 77 ILE CA C 77 63.454 63.685 -0.231 1
1 865 . 18 1 1 A 77 77 ILE CB C 77 38.016 37.225 0.791 1
1 869 . 18 1 1 A 77 77 ILE N N 77 119.278 119.868 -0.590 1
1 870 . 18 1 1 A 78 78 LYS H H 78 7.802 7.843 -0.041 1
1 871 . 18 1 1 A 78 78 LYS HA H 78 4.196 3.909 0.287 1
1 878 . 18 1 1 A 78 78 LYS C C 78 177.591 178.319 -0.728 1
1 879 . 18 1 1 A 78 78 LYS CA C 78 57.728 59.206 -1.478 1
1 880 . 18 1 1 A 78 78 LYS CB C 78 32.601 32.022 0.579 1
1 884 . 18 1 1 A 78 78 LYS N N 78 122.041 121.301 0.740 1
1 885 . 18 1 1 A 79 79 ARG H H 79 8.053 8.191 -0.138 1
1 886 . 18 1 1 A 79 79 ARG HA H 79 4.196 3.923 0.273 1
1 891 . 18 1 1 A 79 79 ARG C C 79 177.448 178.612 -1.164 1
1 892 . 18 1 1 A 79 79 ARG CA C 79 57.639 59.401 -1.762 1
1 893 . 18 1 1 A 79 79 ARG CB C 79 30.531 29.617 0.914 1
1 896 . 18 1 1 A 79 79 ARG N N 79 120.496 119.318 1.178 1
1 897 . 18 1 1 A 80 80 ARG H H 80 8.083 7.568 0.515 1
1 898 . 18 1 1 A 80 80 ARG HA H 80 4.193 4.097 0.096 1
1 904 . 18 1 1 A 80 80 ARG C C 80 176.786 178.349 -1.563 1
1 905 . 18 1 1 A 80 80 ARG CA C 80 57.196 58.694 -1.498 1
1 906 . 18 1 1 A 80 80 ARG CB C 80 30.531 29.950 0.581 1
1 909 . 18 1 1 A 80 80 ARG N N 80 120.092 119.284 0.808 1
1 910 . 18 1 1 A 81 81 ALA H H 81 8.062 7.718 0.344 1
1 911 . 18 1 1 A 81 81 ALA HA H 81 4.256 4.105 0.151 1
1 915 . 18 1 1 A 81 81 ALA C C 81 178.013 179.026 -1.013 1
1 916 . 18 1 1 A 81 81 ALA CA C 81 53.141 53.839 -0.698 1
1 917 . 18 1 1 A 81 81 ALA CB C 81 19.003 18.238 0.765 1
1 918 . 18 1 1 A 81 81 ALA N N 81 123.434 121.675 1.759 1
1 919 . 18 1 1 A 82 82 ASN H H 82 8.219 7.532 0.687 1
1 920 . 18 1 1 A 82 82 ASN HA H 82 4.661 4.689 -0.028 1
1 925 . 18 1 1 A 82 82 ASN C C 82 175.620 175.122 0.498 1
1 926 . 18 1 1 A 82 82 ASN CA C 82 53.686 55.349 -1.663 1
1 927 . 18 1 1 A 82 82 ASN CB C 82 38.672 39.073 -0.401 1
1 928 . 18 1 1 A 82 82 ASN N N 82 117.551 116.838 0.713 1
1 930 . 18 1 1 A 83 83 ILE H H 83 7.949 7.889 0.060 1
1 931 . 18 1 1 A 83 83 ILE HA H 83 4.077 3.756 0.321 1
1 941 . 18 1 1 A 83 83 ILE C C 83 176.291 175.871 0.420 1
1 942 . 18 1 1 A 83 83 ILE CA C 83 61.695 62.611 -0.916 1
1 943 . 18 1 1 A 83 83 ILE CB C 83 38.672 36.520 2.152 1
1 947 . 18 1 1 A 83 83 ILE N N 83 120.666 120.270 0.396 1
1 948 . 18 1 1 A 84 84 ALA H H 84 8.184 7.822 0.362 1
1 949 . 18 1 1 A 84 84 ALA HA H 84 4.262 4.407 -0.145 1
1 953 . 18 1 1 A 84 84 ALA C C 84 177.794 177.269 0.525 1
1 954 . 18 1 1 A 84 84 ALA CA C 84 53.005 52.177 0.828 1
1 955 . 18 1 1 A 84 84 ALA CB C 84 18.941 18.735 0.206 1
1 956 . 18 1 1 A 84 84 ALA N N 84 126.306 122.656 3.650 1
1 957 . 18 1 1 A 85 85 ALA H H 85 8.019 7.446 0.573 1
1 958 . 18 1 1 A 85 85 ALA HA H 85 4.263 4.137 0.126 1
1 962 . 18 1 1 A 85 85 ALA C C 85 178.143 176.545 1.598 1
1 963 . 18 1 1 A 85 85 ALA CA C 85 52.857 53.270 -0.413 1
1 964 . 18 1 1 A 85 85 ALA CB C 85 19.170 19.175 -0.005 1
1 965 . 18 1 1 A 85 85 ALA N N 85 122.320 120.863 1.457 1
1 966 . 18 1 1 A 86 86 ILE H H 86 7.959 8.724 -0.765 1
1 967 . 18 1 1 A 86 86 ILE HA H 86 4.077 4.200 -0.123 1
1 977 . 18 1 1 A 86 86 ILE C C 86 176.697 176.136 0.561 1
1 978 . 18 1 1 A 86 86 ILE CA C 86 61.654 62.642 -0.988 1
1 979 . 18 1 1 A 86 86 ILE CB C 86 38.603 38.939 -0.336 1
1 983 . 18 1 1 A 86 86 ILE N N 86 119.762 124.393 -4.631 1
1 984 . 18 1 1 A 87 87 LEU H H 87 8.219 7.569 0.650 1
1 985 . 18 1 1 A 87 87 LEU HA H 87 4.340 4.107 0.233 1
1 995 . 18 1 1 A 87 87 LEU C C 87 177.616 176.091 1.525 1
1 996 . 18 1 1 A 87 87 LEU CA C 87 55.425 55.489 -0.064 1
1 997 . 18 1 1 A 87 87 LEU CB C 87 42.328 43.242 -0.914 1
1 1001 . 18 1 1 A 87 87 LEU N N 87 125.404 124.158 1.246 1
1 1002 . 18 1 1 A 88 88 GLU H H 88 8.321 8.693 -0.372 1
1 1003 . 18 1 1 A 88 88 GLU HA H 88 4.287 4.477 -0.190 1
1 1008 . 18 1 1 A 88 88 GLU C C 88 176.636 175.233 1.403 1
1 1009 . 18 1 1 A 88 88 GLU CA C 88 56.872 56.202 0.670 1
1 1010 . 18 1 1 A 88 88 GLU CB C 88 30.186 28.996 1.190 1
1 1012 . 18 1 1 A 88 88 GLU N N 88 121.673 126.333 -4.660 1
1 1013 . 18 1 1 A 89 89 SER H H 89 8.254 8.467 -0.213 1
1 1014 . 18 1 1 A 89 89 SER HA H 89 4.483 5.126 -0.643 1
1 1017 . 18 1 1 A 89 89 SER C C 89 174.693 173.768 0.925 1
1 1018 . 18 1 1 A 89 89 SER CA C 89 58.395 56.347 2.048 1
1 1019 . 18 1 1 A 89 89 SER CB C 89 64.017 65.361 -1.344 1
1 1020 . 18 1 1 A 89 89 SER N N 89 116.276 122.619 -6.343 1
1 1021 . 18 1 1 A 90 90 SER H H 90 8.346 8.855 -0.509 1
1 1022 . 18 1 1 A 90 90 SER HA H 90 4.478 4.632 -0.154 1
1 1024 . 18 1 1 A 90 90 SER C C 90 174.564 174.142 0.422 1
1 1025 . 18 1 1 A 90 90 SER CA C 90 58.525 58.574 -0.049 1
1 1026 . 18 1 1 A 90 90 SER CB C 90 64.129 64.442 -0.313 1
1 1027 . 18 1 1 A 90 90 SER N N 90 117.689 117.789 -0.100 1
1 1028 . 18 1 1 A 91 91 GLY H H 91 8.213 7.574 0.639 1
1 1029 . 18 1 1 A 91 91 GLY HA2 H 91 4.112 4.068 0.044 1
1 1030 . 18 1 1 A 91 91 GLY HA3 H 91 4.112 4.069 0.043 1
1 1031 . 18 1 1 A 91 91 GLY C C 91 171.803 173.715 -1.912 1
1 1032 . 18 1 1 A 91 91 GLY CA C 91 44.743 44.421 0.322 1
1 1033 . 18 1 1 A 91 91 GLY N N 91 110.570 108.147 2.423 1
1 1034 . 18 1 1 A 92 92 PRO HA H 92 4.530 4.531 -0.001 1
1 1035 . 18 1 1 A 93 93 SER HA H 93 4.498 4.457 0.041 1
1 1037 . 18 1 1 A 93 93 SER C C 93 173.981 174.484 -0.503 1
1 1038 . 18 1 1 A 93 93 SER CA C 93 57.378 57.588 -0.210 1
1 1039 . 18 1 1 A 93 93 SER CB C 93 58.505 63.945 -5.440 1
1 1040 . 18 1 1 A 94 94 SER H H 94 8.032 8.569 -0.537 1
1 1041 . 18 1 1 A 94 94 SER HA H 94 4.498 4.680 -0.182 1
1 1043 . 18 1 1 A 94 94 SER C C 94 173.955 174.818 -0.863 1
1 1044 . 18 1 1 A 94 94 SER CA C 94 58.436 57.517 0.919 1
1 1045 . 18 1 1 A 94 94 SER CB C 94 64.017 64.921 -0.904 1
1 1046 . 18 1 1 A 94 94 SER N N 94 116.327 115.086 1.241 1
1 1 . 19 1 1 A 11 11 ARG HA H 11 4.442 4.521 -0.079 1
1 6 . 19 1 1 A 11 11 ARG C C 11 175.365 175.211 0.154 1
1 7 . 19 1 1 A 11 11 ARG CA C 11 55.738 55.495 0.243 1
1 8 . 19 1 1 A 11 11 ARG CB C 11 31.419 28.880 2.539 1
1 11 . 19 1 1 A 12 12 PHE H H 12 8.430 7.701 0.729 1
1 12 . 19 1 1 A 12 12 PHE HA H 12 4.481 4.759 -0.278 1
1 20 . 19 1 1 A 12 12 PHE C C 12 174.869 173.224 1.645 1
1 21 . 19 1 1 A 12 12 PHE CA C 12 58.525 58.282 0.243 1
1 22 . 19 1 1 A 12 12 PHE CB C 12 39.955 41.899 -1.944 1
1 28 . 19 1 1 A 12 12 PHE N N 12 123.637 121.560 2.077 1
1 29 . 19 1 1 A 13 13 THR H H 13 7.543 8.470 -0.927 1
1 30 . 19 1 1 A 13 13 THR HA H 13 4.216 4.719 -0.503 1
1 35 . 19 1 1 A 13 13 THR C C 13 172.757 172.029 0.728 1
1 36 . 19 1 1 A 13 13 THR CA C 13 60.703 60.134 0.569 1
1 37 . 19 1 1 A 13 13 THR CB C 13 70.578 70.465 0.113 1
1 39 . 19 1 1 A 13 13 THR N N 13 122.237 122.078 0.159 1
1 40 . 19 1 1 A 14 14 TRP H H 14 8.427 8.611 -0.184 1
1 41 . 19 1 1 A 14 14 TRP HA H 14 4.195 5.065 -0.870 1
1 50 . 19 1 1 A 14 14 TRP C C 14 177.225 175.923 1.302 1
1 51 . 19 1 1 A 14 14 TRP CA C 14 57.137 55.633 1.504 1
1 52 . 19 1 1 A 14 14 TRP CB C 14 29.919 30.221 -0.302 1
1 58 . 19 1 1 A 14 14 TRP N N 14 125.363 126.641 -1.278 1
1 60 . 19 1 1 A 15 15 ARG H H 15 8.790 8.751 0.039 1
1 61 . 19 1 1 A 15 15 ARG HA H 15 4.436 4.264 0.172 1
1 67 . 19 1 1 A 15 15 ARG C C 15 176.254 177.771 -1.517 1
1 68 . 19 1 1 A 15 15 ARG CA C 15 54.848 56.966 -2.118 1
1 69 . 19 1 1 A 15 15 ARG CB C 15 30.217 30.687 -0.470 1
1 72 . 19 1 1 A 15 15 ARG N N 15 124.453 125.227 -0.774 1
1 73 . 19 1 1 A 16 16 LYS H H 16 7.990 8.789 -0.799 1
1 74 . 19 1 1 A 16 16 LYS HA H 16 3.949 4.026 -0.077 1
1 81 . 19 1 1 A 16 16 LYS C C 16 179.133 178.568 0.565 1
1 82 . 19 1 1 A 16 16 LYS CA C 16 60.206 59.688 0.518 1
1 83 . 19 1 1 A 16 16 LYS CB C 16 32.102 32.074 0.028 1
1 87 . 19 1 1 A 16 16 LYS N N 16 120.654 122.578 -1.924 1
1 88 . 19 1 1 A 17 17 GLU H H 17 10.775 8.172 2.603 1
1 89 . 19 1 1 A 17 17 GLU HA H 17 4.126 4.029 0.097 1
1 94 . 19 1 1 A 17 17 GLU C C 17 179.581 179.076 0.505 1
1 95 . 19 1 1 A 17 17 GLU CA C 17 60.262 59.446 0.816 1
1 96 . 19 1 1 A 17 17 GLU CB C 17 28.944 29.669 -0.725 1
1 98 . 19 1 1 A 17 17 GLU N N 17 119.914 119.842 0.072 1
1 99 . 19 1 1 A 18 18 CYS H H 18 7.314 8.306 -0.992 1
1 100 . 19 1 1 A 18 18 CYS HA H 18 4.166 4.260 -0.094 1
1 103 . 19 1 1 A 18 18 CYS C C 18 176.250 177.538 -1.288 1
1 104 . 19 1 1 A 18 18 CYS CA C 18 61.093 63.182 -2.089 1
1 105 . 19 1 1 A 18 18 CYS CB C 18 27.636 26.938 0.698 1
1 106 . 19 1 1 A 18 18 CYS N N 18 115.339 119.035 -3.696 1
1 107 . 19 1 1 A 19 19 LEU H H 19 7.975 8.189 -0.214 1
1 108 . 19 1 1 A 19 19 LEU HA H 19 3.365 3.614 -0.249 1
1 118 . 19 1 1 A 19 19 LEU C C 19 178.119 178.521 -0.402 1
1 119 . 19 1 1 A 19 19 LEU CA C 19 58.084 57.766 0.318 1
1 120 . 19 1 1 A 19 19 LEU CB C 19 40.713 41.183 -0.470 1
1 124 . 19 1 1 A 19 19 LEU N N 19 120.346 123.213 -2.867 1
1 125 . 19 1 1 A 20 20 ALA H H 20 7.481 7.980 -0.499 1
1 126 . 19 1 1 A 20 20 ALA HA H 20 4.079 3.899 0.180 1
1 130 . 19 1 1 A 20 20 ALA C C 20 180.800 180.086 0.714 1
1 131 . 19 1 1 A 20 20 ALA CA C 20 55.172 55.337 -0.165 1
1 132 . 19 1 1 A 20 20 ALA CB C 20 17.975 17.967 0.008 1
1 133 . 19 1 1 A 20 20 ALA N N 20 119.101 122.052 -2.951 1
1 134 . 19 1 1 A 21 21 VAL H H 21 6.932 7.426 -0.494 1
1 135 . 19 1 1 A 21 21 VAL HA H 21 3.752 3.452 0.300 1
1 143 . 19 1 1 A 21 21 VAL C C 21 178.850 178.187 0.663 1
1 144 . 19 1 1 A 21 21 VAL CA C 21 66.018 67.087 -1.069 1
1 145 . 19 1 1 A 21 21 VAL CB C 21 32.168 31.428 0.740 1
1 148 . 19 1 1 A 21 21 VAL N N 21 118.965 117.663 1.302 1
1 149 . 19 1 1 A 22 22 MET H H 22 7.925 7.611 0.314 1
1 150 . 19 1 1 A 22 22 MET HA H 22 3.894 4.069 -0.175 1
1 158 . 19 1 1 A 22 22 MET C C 22 177.997 178.674 -0.677 1
1 159 . 19 1 1 A 22 22 MET CA C 22 60.060 58.713 1.347 1
1 160 . 19 1 1 A 22 22 MET CB C 22 30.494 31.949 -1.455 1
1 163 . 19 1 1 A 22 22 MET N N 22 118.668 117.333 1.335 1
1 164 . 19 1 1 A 23 23 GLU H H 23 8.452 7.666 0.786 1
1 165 . 19 1 1 A 23 23 GLU HA H 23 4.048 4.017 0.031 1
1 170 . 19 1 1 A 23 23 GLU C C 23 178.809 178.832 -0.023 1
1 171 . 19 1 1 A 23 23 GLU CA C 23 59.676 59.207 0.469 1
1 172 . 19 1 1 A 23 23 GLU CB C 23 29.289 29.496 -0.207 1
1 174 . 19 1 1 A 23 23 GLU N N 23 118.239 119.290 -1.051 1
1 175 . 19 1 1 A 24 24 SER H H 24 7.431 7.480 -0.049 1
1 176 . 19 1 1 A 24 24 SER HA H 24 4.279 4.198 0.081 1
1 179 . 19 1 1 A 24 24 SER C C 24 177.916 177.289 0.627 1
1 180 . 19 1 1 A 24 24 SER CA C 24 61.785 61.675 0.110 1
1 181 . 19 1 1 A 24 24 SER CB C 24 62.616 63.320 -0.704 1
1 182 . 19 1 1 A 24 24 SER N N 24 113.792 116.005 -2.213 1
1 183 . 19 1 1 A 25 25 TYR H H 25 7.845 8.178 -0.333 1
1 184 . 19 1 1 A 25 25 TYR HA H 25 4.354 4.359 -0.005 1
1 191 . 19 1 1 A 25 25 TYR C C 25 178.789 178.923 -0.134 1
1 192 . 19 1 1 A 25 25 TYR CA C 25 63.193 60.818 2.375 1
1 193 . 19 1 1 A 25 25 TYR CB C 25 38.706 38.004 0.702 1
1 198 . 19 1 1 A 25 25 TYR N N 25 120.184 119.114 1.070 1
1 199 . 19 1 1 A 26 26 PHE H H 26 9.279 8.353 0.926 1
1 200 . 19 1 1 A 26 26 PHE HA H 26 4.237 4.812 -0.575 1
1 208 . 19 1 1 A 26 26 PHE C C 26 175.885 178.015 -2.130 1
1 209 . 19 1 1 A 26 26 PHE CA C 26 62.008 61.611 0.397 1
1 210 . 19 1 1 A 26 26 PHE CB C 26 39.072 39.055 0.017 1
1 216 . 19 1 1 A 26 26 PHE N N 26 123.634 120.622 3.012 1
1 217 . 19 1 1 A 27 27 ASN H H 27 7.807 8.295 -0.488 1
1 218 . 19 1 1 A 27 27 ASN HA H 27 4.409 4.515 -0.106 1
1 223 . 19 1 1 A 27 27 ASN C C 27 176.108 177.370 -1.262 1
1 224 . 19 1 1 A 27 27 ASN CA C 27 55.307 56.463 -1.156 1
1 225 . 19 1 1 A 27 27 ASN CB C 27 38.810 37.932 0.878 1
1 226 . 19 1 1 A 27 27 ASN N N 27 112.896 117.718 -4.822 1
1 228 . 19 1 1 A 28 28 GLU H H 28 7.431 7.989 -0.558 1
1 229 . 19 1 1 A 28 28 GLU HA H 28 4.274 4.288 -0.014 1
1 234 . 19 1 1 A 28 28 GLU C C 28 176.880 176.418 0.462 1
1 235 . 19 1 1 A 28 28 GLU CA C 28 57.875 58.022 -0.147 1
1 236 . 19 1 1 A 28 28 GLU CB C 28 30.965 29.623 1.342 1
1 238 . 19 1 1 A 28 28 GLU N N 28 117.899 114.774 3.125 1
1 239 . 19 1 1 A 29 29 ASN H H 29 7.950 8.219 -0.269 1
1 240 . 19 1 1 A 29 29 ASN HA H 29 4.562 4.986 -0.424 1
1 245 . 19 1 1 A 29 29 ASN C C 29 174.036 175.148 -1.112 1
1 246 . 19 1 1 A 29 29 ASN CA C 29 53.654 52.599 1.055 1
1 247 . 19 1 1 A 29 29 ASN CB C 29 39.361 40.673 -1.312 1
1 248 . 19 1 1 A 29 29 ASN N N 29 116.656 117.569 -0.913 1
1 250 . 19 1 1 A 30 30 GLN H H 30 8.658 8.363 0.295 1
1 251 . 19 1 1 A 30 30 GLN HA H 30 3.848 3.221 0.627 1
1 258 . 19 1 1 A 30 30 GLN C C 30 174.503 175.461 -0.958 1
1 259 . 19 1 1 A 30 30 GLN CA C 30 57.336 58.478 -1.142 1
1 260 . 19 1 1 A 30 30 GLN CB C 30 27.978 29.027 -1.049 1
1 262 . 19 1 1 A 30 30 GLN N N 30 122.486 123.343 -0.857 1
1 264 . 19 1 1 A 31 31 TYR H H 31 8.181 7.874 0.307 1
1 265 . 19 1 1 A 31 31 TYR HA H 31 4.769 5.048 -0.279 1
1 272 . 19 1 1 A 31 31 TYR C C 31 172.816 173.051 -0.235 1
1 273 . 19 1 1 A 31 31 TYR CA C 31 55.409 53.856 1.553 1
1 274 . 19 1 1 A 31 31 TYR CB C 31 38.938 38.609 0.329 1
1 279 . 19 1 1 A 31 31 TYR N N 31 116.012 117.081 -1.069 1
1 280 . 19 1 1 A 32 32 PRO HA H 32 4.320 4.496 -0.176 1
1 287 . 19 1 1 A 32 32 PRO C C 32 177.530 176.824 0.706 1
1 288 . 19 1 1 A 32 32 PRO CA C 32 63.041 62.902 0.139 1
1 289 . 19 1 1 A 32 32 PRO CB C 32 31.052 32.164 -1.112 1
1 292 . 19 1 1 A 33 33 ASP H H 33 8.439 8.459 -0.020 1
1 293 . 19 1 1 A 33 33 ASP HA H 33 4.475 4.676 -0.201 1
1 296 . 19 1 1 A 33 33 ASP C C 33 175.397 177.660 -2.263 1
1 297 . 19 1 1 A 33 33 ASP CA C 33 52.562 53.894 -1.332 1
1 298 . 19 1 1 A 33 33 ASP CB C 33 40.363 42.036 -1.673 1
1 299 . 19 1 1 A 33 33 ASP N N 33 125.278 121.716 3.562 1
1 300 . 19 1 1 A 34 34 GLU H H 34 8.644 8.910 -0.266 1
1 301 . 19 1 1 A 34 34 GLU HA H 34 3.613 3.896 -0.283 1
1 306 . 19 1 1 A 34 34 GLU C C 34 178.261 178.209 0.052 1
1 307 . 19 1 1 A 34 34 GLU CA C 34 61.565 59.477 2.088 1
1 308 . 19 1 1 A 34 34 GLU CB C 34 29.289 29.290 -0.001 1
1 310 . 19 1 1 A 34 34 GLU N N 34 118.756 122.709 -3.953 1
1 311 . 19 1 1 A 35 35 ALA H H 35 8.121 8.139 -0.018 1
1 312 . 19 1 1 A 35 35 ALA HA H 35 4.155 4.049 0.106 1
1 316 . 19 1 1 A 35 35 ALA C C 35 181.307 179.512 1.795 1
1 317 . 19 1 1 A 35 35 ALA CA C 35 54.953 55.211 -0.258 1
1 318 . 19 1 1 A 35 35 ALA CB C 35 17.975 18.194 -0.219 1
1 319 . 19 1 1 A 35 35 ALA N N 35 121.196 121.553 -0.357 1
1 320 . 19 1 1 A 36 36 LYS H H 36 8.448 7.912 0.536 1
1 321 . 19 1 1 A 36 36 LYS HA H 36 4.157 4.040 0.117 1
1 330 . 19 1 1 A 36 36 LYS C C 36 178.769 178.507 0.262 1
1 331 . 19 1 1 A 36 36 LYS CA C 36 56.576 59.656 -3.080 1
1 332 . 19 1 1 A 36 36 LYS CB C 36 29.689 32.244 -2.555 1
1 336 . 19 1 1 A 36 36 LYS N N 36 121.690 118.652 3.038 1
1 337 . 19 1 1 A 37 37 ARG H H 37 8.977 8.184 0.793 1
1 338 . 19 1 1 A 37 37 ARG HA H 37 3.711 3.846 -0.135 1
1 345 . 19 1 1 A 37 37 ARG C C 37 178.444 178.971 -0.527 1
1 346 . 19 1 1 A 37 37 ARG CA C 37 61.131 59.508 1.623 1
1 347 . 19 1 1 A 37 37 ARG CB C 37 30.941 29.822 1.119 1
1 350 . 19 1 1 A 37 37 ARG N N 37 117.588 118.743 -1.155 1
1 351 . 19 1 1 A 38 38 GLU H H 38 7.750 7.912 -0.162 1
1 352 . 19 1 1 A 38 38 GLU HA H 38 4.083 4.139 -0.056 1
1 357 . 19 1 1 A 38 38 GLU C C 38 178.301 179.298 -0.997 1
1 358 . 19 1 1 A 38 38 GLU CA C 38 59.321 58.402 0.919 1
1 359 . 19 1 1 A 38 38 GLU CB C 38 29.013 29.463 -0.450 1
1 361 . 19 1 1 A 38 38 GLU N N 38 119.080 119.382 -0.302 1
1 362 . 19 1 1 A 39 39 GLU H H 39 7.540 7.803 -0.263 1
1 363 . 19 1 1 A 39 39 GLU HA H 39 4.048 4.088 -0.040 1
1 368 . 19 1 1 A 39 39 GLU C C 39 179.784 178.692 1.092 1
1 369 . 19 1 1 A 39 39 GLU CA C 39 59.646 59.067 0.579 1
1 370 . 19 1 1 A 39 39 GLU CB C 39 29.409 29.723 -0.314 1
1 372 . 19 1 1 A 39 39 GLU N N 39 121.188 119.479 1.709 1
1 373 . 19 1 1 A 40 40 ILE H H 40 8.634 7.898 0.736 1
1 374 . 19 1 1 A 40 40 ILE HA H 40 3.133 3.286 -0.153 1
1 384 . 19 1 1 A 40 40 ILE C C 40 178.119 177.553 0.566 1
1 385 . 19 1 1 A 40 40 ILE CA C 40 65.462 63.031 2.431 1
1 386 . 19 1 1 A 40 40 ILE CB C 40 37.951 36.594 1.357 1
1 390 . 19 1 1 A 40 40 ILE N N 40 121.126 120.063 1.063 1
1 391 . 19 1 1 A 41 41 ALA H H 41 8.462 8.276 0.186 1
1 392 . 19 1 1 A 41 41 ALA HA H 41 3.713 4.018 -0.305 1
1 396 . 19 1 1 A 41 41 ALA C C 41 178.850 180.611 -1.761 1
1 397 . 19 1 1 A 41 41 ALA CA C 41 56.014 55.582 0.432 1
1 398 . 19 1 1 A 41 41 ALA CB C 41 16.779 17.885 -1.106 1
1 399 . 19 1 1 A 41 41 ALA N N 41 123.029 123.824 -0.795 1
1 400 . 19 1 1 A 42 42 ASN H H 42 8.264 8.509 -0.245 1
1 401 . 19 1 1 A 42 42 ASN HA H 42 4.521 4.429 0.092 1
1 406 . 19 1 1 A 42 42 ASN C C 42 178.220 177.601 0.619 1
1 407 . 19 1 1 A 42 42 ASN CA C 42 56.193 55.814 0.379 1
1 408 . 19 1 1 A 42 42 ASN CB C 42 37.775 37.856 -0.081 1
1 409 . 19 1 1 A 42 42 ASN N N 42 115.462 117.916 -2.454 1
1 411 . 19 1 1 A 43 43 ALA H H 43 8.403 7.708 0.695 1
1 412 . 19 1 1 A 43 43 ALA HA H 43 4.273 4.047 0.226 1
1 416 . 19 1 1 A 43 43 ALA C C 43 180.962 180.178 0.784 1
1 417 . 19 1 1 A 43 43 ALA CA C 43 55.200 55.200 0.000 1
1 418 . 19 1 1 A 43 43 ALA CB C 43 18.478 18.006 0.472 1
1 419 . 19 1 1 A 43 43 ALA N N 43 125.139 122.537 2.602 1
1 420 . 19 1 1 A 44 44 CYS H H 44 8.457 7.812 0.645 1
1 421 . 19 1 1 A 44 44 CYS HA H 44 4.156 4.132 0.024 1
1 424 . 19 1 1 A 44 44 CYS C C 44 176.534 177.183 -0.649 1
1 425 . 19 1 1 A 44 44 CYS CA C 44 64.768 63.628 1.140 1
1 426 . 19 1 1 A 44 44 CYS CB C 44 27.644 26.859 0.785 1
1 427 . 19 1 1 A 44 44 CYS N N 44 116.609 116.318 0.291 1
1 428 . 19 1 1 A 45 45 ASN H H 45 8.346 7.896 0.450 1
1 429 . 19 1 1 A 45 45 ASN HA H 45 4.613 4.513 0.100 1
1 434 . 19 1 1 A 45 45 ASN C C 45 177.631 177.739 -0.108 1
1 435 . 19 1 1 A 45 45 ASN CA C 45 55.723 56.119 -0.396 1
1 436 . 19 1 1 A 45 45 ASN CB C 45 37.526 37.976 -0.450 1
1 437 . 19 1 1 A 45 45 ASN N N 45 117.491 118.489 -0.998 1
1 439 . 19 1 1 A 46 46 ALA H H 46 8.014 7.798 0.216 1
1 440 . 19 1 1 A 46 46 ALA HA H 46 4.200 4.054 0.146 1
1 444 . 19 1 1 A 46 46 ALA C C 46 180.292 179.729 0.563 1
1 445 . 19 1 1 A 46 46 ALA CA C 46 54.805 55.095 -0.290 1
1 446 . 19 1 1 A 46 46 ALA CB C 46 18.283 18.323 -0.040 1
1 447 . 19 1 1 A 46 46 ALA N N 46 120.198 123.480 -3.282 1
1 448 . 19 1 1 A 47 47 VAL H H 47 7.240 8.117 -0.877 1
1 449 . 19 1 1 A 47 47 VAL HA H 47 4.306 3.822 0.484 1
1 457 . 19 1 1 A 47 47 VAL C C 47 177.083 177.321 -0.238 1
1 458 . 19 1 1 A 47 47 VAL CA C 47 63.484 65.498 -2.014 1
1 459 . 19 1 1 A 47 47 VAL CB C 47 31.935 31.545 0.390 1
1 462 . 19 1 1 A 47 47 VAL N N 47 110.165 116.411 -6.246 1
1 463 . 19 1 1 A 48 48 ILE H H 48 7.146 7.283 -0.137 1
1 464 . 19 1 1 A 48 48 ILE HA H 48 4.473 4.195 0.278 1
1 474 . 19 1 1 A 48 48 ILE C C 48 175.966 176.060 -0.094 1
1 475 . 19 1 1 A 48 48 ILE CA C 48 62.055 63.440 -1.385 1
1 476 . 19 1 1 A 48 48 ILE CB C 48 39.444 38.216 1.228 1
1 480 . 19 1 1 A 48 48 ILE N N 48 112.085 116.801 -4.716 1
1 481 . 19 1 1 A 49 49 GLN H H 49 7.671 8.189 -0.518 1
1 482 . 19 1 1 A 49 49 GLN HA H 49 4.254 4.114 0.140 1
1 489 . 19 1 1 A 49 49 GLN C C 49 175.417 175.559 -0.142 1
1 490 . 19 1 1 A 49 49 GLN CA C 49 56.370 56.556 -0.186 1
1 491 . 19 1 1 A 49 49 GLN CB C 49 29.289 29.149 0.140 1
1 493 . 19 1 1 A 49 49 GLN N N 49 123.076 123.134 -0.058 1
1 495 . 19 1 1 A 50 50 LYS H H 50 8.932 8.578 0.354 1
1 496 . 19 1 1 A 50 50 LYS HA H 50 4.760 4.753 0.007 1
1 502 . 19 1 1 A 50 50 LYS C C 50 174.497 174.282 0.215 1
1 503 . 19 1 1 A 50 50 LYS CA C 50 53.341 53.169 0.172 1
1 504 . 19 1 1 A 50 50 LYS CB C 50 32.860 32.726 0.134 1
1 506 . 19 1 1 A 50 50 LYS N N 50 127.505 126.851 0.654 1
1 507 . 19 1 1 A 51 51 PRO HA H 51 4.328 4.295 0.033 1
1 514 . 19 1 1 A 51 51 PRO CA C 51 64.015 63.713 0.302 1
1 515 . 19 1 1 A 51 51 PRO CB C 51 31.590 31.280 0.310 1
1 518 . 19 1 1 A 52 52 GLY H H 52 8.752 8.743 0.009 1
1 519 . 19 1 1 A 52 52 GLY HA2 H 52 4.113 3.940 0.173 1
1 520 . 19 1 1 A 52 52 GLY HA3 H 52 3.728 3.940 -0.212 1
1 521 . 19 1 1 A 52 52 GLY C C 52 173.732 173.425 0.307 1
1 522 . 19 1 1 A 52 52 GLY CA C 52 45.646 45.700 -0.054 1
1 523 . 19 1 1 A 53 53 LYS H H 53 7.734 7.599 0.135 1
1 524 . 19 1 1 A 53 53 LYS HA H 53 4.621 4.844 -0.223 1
1 531 . 19 1 1 A 53 53 LYS C C 53 175.681 174.498 1.183 1
1 532 . 19 1 1 A 53 53 LYS CA C 53 54.451 54.094 0.357 1
1 533 . 19 1 1 A 53 53 LYS CB C 53 34.466 35.467 -1.001 1
1 537 . 19 1 1 A 53 53 LYS N N 53 120.205 120.000 0.205 1
1 538 . 19 1 1 A 54 54 LYS H H 54 8.536 8.769 -0.233 1
1 539 . 19 1 1 A 54 54 LYS HA H 54 4.412 5.017 -0.605 1
1 546 . 19 1 1 A 54 54 LYS C C 54 177.022 175.900 1.122 1
1 547 . 19 1 1 A 54 54 LYS CA C 54 55.691 54.432 1.259 1
1 548 . 19 1 1 A 54 54 LYS CB C 54 33.453 35.553 -2.100 1
1 552 . 19 1 1 A 54 54 LYS N N 54 124.424 123.742 0.682 1
1 553 . 19 1 1 A 55 55 LEU H H 55 8.656 8.749 -0.093 1
1 554 . 19 1 1 A 55 55 LEU HA H 55 4.407 4.322 0.085 1
1 564 . 19 1 1 A 55 55 LEU C C 55 177.448 176.099 1.349 1
1 565 . 19 1 1 A 55 55 LEU CA C 55 54.670 55.107 -0.437 1
1 566 . 19 1 1 A 55 55 LEU CB C 55 43.243 42.352 0.891 1
1 570 . 19 1 1 A 55 55 LEU N N 55 126.145 127.804 -1.659 1
1 571 . 19 1 1 A 56 56 SER H H 56 9.313 8.771 0.542 1
1 572 . 19 1 1 A 56 56 SER HA H 56 4.496 4.749 -0.253 1
1 575 . 19 1 1 A 56 56 SER C C 56 175.226 174.838 0.388 1
1 576 . 19 1 1 A 56 56 SER CA C 56 57.507 57.026 0.481 1
1 577 . 19 1 1 A 56 56 SER CB C 56 64.802 66.150 -1.348 1
1 578 . 19 1 1 A 56 56 SER N N 56 121.790 116.642 5.148 1
1 579 . 19 1 1 A 57 57 ASP H H 57 8.929 8.897 0.032 1
1 580 . 19 1 1 A 57 57 ASP HA H 57 4.314 4.305 0.009 1
1 583 . 19 1 1 A 57 57 ASP C C 57 177.855 177.980 -0.125 1
1 584 . 19 1 1 A 57 57 ASP CA C 57 57.403 57.225 0.178 1
1 585 . 19 1 1 A 57 57 ASP CB C 57 40.353 40.313 0.040 1
1 586 . 19 1 1 A 58 58 LEU H H 58 7.824 8.209 -0.385 1
1 587 . 19 1 1 A 58 58 LEU HA H 58 4.194 4.097 0.097 1
1 597 . 19 1 1 A 58 58 LEU C C 58 177.509 178.501 -0.992 1
1 598 . 19 1 1 A 58 58 LEU CA C 58 56.754 58.070 -1.316 1
1 599 . 19 1 1 A 58 58 LEU CB C 58 42.259 41.166 1.093 1
1 603 . 19 1 1 A 58 58 LEU N N 58 117.552 118.791 -1.239 1
1 604 . 19 1 1 A 59 59 GLU H H 59 7.325 7.343 -0.018 1
1 605 . 19 1 1 A 59 59 GLU HA H 59 4.286 4.420 -0.134 1
1 610 . 19 1 1 A 59 59 GLU C C 59 175.661 176.667 -1.006 1
1 611 . 19 1 1 A 59 59 GLU CA C 59 56.370 56.575 -0.205 1
1 612 . 19 1 1 A 59 59 GLU CB C 59 32.314 30.347 1.967 1
1 614 . 19 1 1 A 59 59 GLU N N 59 115.631 116.132 -0.501 1
1 615 . 19 1 1 A 60 60 ARG H H 60 7.408 8.102 -0.694 1
1 616 . 19 1 1 A 60 60 ARG HA H 60 3.948 4.633 -0.685 1
1 623 . 19 1 1 A 60 60 ARG C C 60 175.194 175.270 -0.076 1
1 624 . 19 1 1 A 60 60 ARG CA C 60 57.167 56.695 0.472 1
1 625 . 19 1 1 A 60 60 ARG CB C 60 31.083 30.502 0.581 1
1 628 . 19 1 1 A 60 60 ARG N N 60 118.018 122.517 -4.499 1
1 629 . 19 1 1 A 61 61 VAL H H 61 10.175 8.928 1.247 1
1 630 . 19 1 1 A 61 61 VAL HA H 61 3.462 4.255 -0.793 1
1 638 . 19 1 1 A 61 61 VAL C C 61 175.681 176.301 -0.620 1
1 639 . 19 1 1 A 61 61 VAL CA C 61 65.077 62.775 2.302 1
1 640 . 19 1 1 A 61 61 VAL CB C 61 31.702 31.056 0.646 1
1 643 . 19 1 1 A 61 61 VAL N N 61 128.658 128.035 0.623 1
1 644 . 19 1 1 A 62 62 THR H H 62 6.270 8.550 -2.280 1
1 645 . 19 1 1 A 62 62 THR HA H 62 4.780 4.707 0.073 1
1 650 . 19 1 1 A 62 62 THR C C 62 175.064 176.179 -1.115 1
1 651 . 19 1 1 A 62 62 THR CA C 62 58.600 60.523 -1.923 1
1 652 . 19 1 1 A 62 62 THR CB C 62 72.355 71.109 1.246 1
1 654 . 19 1 1 A 62 62 THR N N 62 114.178 120.968 -6.790 1
1 655 . 19 1 1 A 63 63 SER HA H 63 3.869 4.124 -0.255 1
1 658 . 19 1 1 A 63 63 SER C C 63 176.656 176.716 -0.060 1
1 659 . 19 1 1 A 63 63 SER CA C 63 61.433 61.967 -0.534 1
1 660 . 19 1 1 A 63 63 SER CB C 63 62.197 62.474 -0.277 1
1 661 . 19 1 1 A 64 64 LEU H H 64 8.062 8.046 0.016 1
1 662 . 19 1 1 A 64 64 LEU HA H 64 4.367 4.158 0.209 1
1 672 . 19 1 1 A 64 64 LEU C C 64 178.789 179.087 -0.298 1
1 673 . 19 1 1 A 64 64 LEU CA C 64 57.964 57.760 0.204 1
1 674 . 19 1 1 A 64 64 LEU CB C 64 42.052 41.919 0.133 1
1 678 . 19 1 1 A 64 64 LEU N N 64 123.294 124.642 -1.348 1
1 679 . 19 1 1 A 65 65 LYS H H 65 7.524 7.617 -0.093 1
1 680 . 19 1 1 A 65 65 LYS HA H 65 4.292 4.048 0.244 1
1 689 . 19 1 1 A 65 65 LYS C C 65 180.779 179.587 1.192 1
1 690 . 19 1 1 A 65 65 LYS CA C 65 60.266 59.754 0.512 1
1 691 . 19 1 1 A 65 65 LYS CB C 65 32.808 32.514 0.294 1
1 695 . 19 1 1 A 65 65 LYS N N 65 119.262 119.588 -0.326 1
1 696 . 19 1 1 A 66 66 VAL H H 66 8.290 7.712 0.578 1
1 697 . 19 1 1 A 66 66 VAL HA H 66 4.075 3.884 0.191 1
1 705 . 19 1 1 A 66 66 VAL C C 66 177.509 177.842 -0.333 1
1 706 . 19 1 1 A 66 66 VAL CA C 66 66.963 66.626 0.337 1
1 707 . 19 1 1 A 66 66 VAL CB C 66 32.419 31.637 0.782 1
1 710 . 19 1 1 A 66 66 VAL N N 66 119.900 120.380 -0.480 1
1 711 . 19 1 1 A 67 67 TYR H H 67 8.893 8.304 0.589 1
1 712 . 19 1 1 A 67 67 TYR HA H 67 3.857 4.219 -0.362 1
1 719 . 19 1 1 A 67 67 TYR C C 67 177.956 178.146 -0.190 1
1 720 . 19 1 1 A 67 67 TYR CA C 67 62.897 61.596 1.301 1
1 721 . 19 1 1 A 67 67 TYR CB C 67 38.326 38.570 -0.244 1
1 726 . 19 1 1 A 67 67 TYR N N 67 120.861 121.206 -0.345 1
1 727 . 19 1 1 A 68 68 ASN H H 68 8.561 8.037 0.524 1
1 728 . 19 1 1 A 68 68 ASN HA H 68 4.545 4.469 0.076 1
1 733 . 19 1 1 A 68 68 ASN C C 68 177.570 178.313 -0.743 1
1 734 . 19 1 1 A 68 68 ASN CA C 68 56.222 56.485 -0.263 1
1 735 . 19 1 1 A 68 68 ASN CB C 68 38.465 38.403 0.062 1
1 736 . 19 1 1 A 68 68 ASN N N 68 117.386 117.336 0.050 1
1 738 . 19 1 1 A 69 69 TRP H H 69 8.655 8.172 0.483 1
1 739 . 19 1 1 A 69 69 TRP HA H 69 4.151 4.323 -0.172 1
1 748 . 19 1 1 A 69 69 TRP C C 69 179.764 178.269 1.495 1
1 749 . 19 1 1 A 69 69 TRP CA C 69 63.194 61.411 1.783 1
1 750 . 19 1 1 A 69 69 TRP CB C 69 29.720 29.336 0.384 1
1 756 . 19 1 1 A 69 69 TRP N N 69 123.454 122.519 0.935 1
1 758 . 19 1 1 A 70 70 PHE H H 70 9.166 8.582 0.584 1
1 759 . 19 1 1 A 70 70 PHE HA H 70 3.745 4.405 -0.660 1
1 767 . 19 1 1 A 70 70 PHE C C 70 177.469 178.550 -1.081 1
1 768 . 19 1 1 A 70 70 PHE CA C 70 62.862 61.598 1.264 1
1 769 . 19 1 1 A 70 70 PHE CB C 70 39.115 38.130 0.985 1
1 775 . 19 1 1 A 70 70 PHE N N 70 120.259 118.323 1.936 1
1 776 . 19 1 1 A 71 71 ALA H H 71 8.169 8.479 -0.310 1
1 777 . 19 1 1 A 71 71 ALA HA H 71 3.868 3.985 -0.117 1
1 781 . 19 1 1 A 71 71 ALA C C 71 180.698 179.631 1.067 1
1 782 . 19 1 1 A 71 71 ALA CA C 71 55.307 55.195 0.112 1
1 783 . 19 1 1 A 71 71 ALA CB C 71 17.697 17.958 -0.261 1
1 784 . 19 1 1 A 71 71 ALA N N 71 120.051 122.425 -2.374 1
1 785 . 19 1 1 A 72 72 ASN H H 72 7.789 7.993 -0.204 1
1 786 . 19 1 1 A 72 72 ASN HA H 72 4.280 4.324 -0.044 1
1 791 . 19 1 1 A 72 72 ASN C C 72 177.022 177.476 -0.454 1
1 792 . 19 1 1 A 72 72 ASN CA C 72 56.222 56.085 0.137 1
1 793 . 19 1 1 A 72 72 ASN CB C 72 38.363 38.645 -0.282 1
1 794 . 19 1 1 A 72 72 ASN N N 72 116.515 116.486 0.029 1
1 796 . 19 1 1 A 73 73 ARG H H 73 7.999 7.781 0.218 1
1 797 . 19 1 1 A 73 73 ARG HA H 73 3.416 3.624 -0.208 1
1 805 . 19 1 1 A 73 73 ARG C C 73 178.708 178.738 -0.030 1
1 806 . 19 1 1 A 73 73 ARG CA C 73 57.403 59.126 -1.723 1
1 807 . 19 1 1 A 73 73 ARG CB C 73 28.264 29.232 -0.968 1
1 810 . 19 1 1 A 73 73 ARG N N 73 123.203 119.532 3.671 1
1 812 . 19 1 1 A 74 74 ARG H H 74 8.033 8.047 -0.014 1
1 813 . 19 1 1 A 74 74 ARG HA H 74 4.017 4.056 -0.039 1
1 820 . 19 1 1 A 74 74 ARG C C 74 178.850 179.082 -0.232 1
1 821 . 19 1 1 A 74 74 ARG CA C 74 60.414 59.611 0.803 1
1 822 . 19 1 1 A 74 74 ARG CB C 74 31.221 30.026 1.195 1
1 825 . 19 1 1 A 74 74 ARG N N 74 116.187 118.976 -2.789 1
1 826 . 19 1 1 A 75 75 LYS H H 75 7.359 7.900 -0.541 1
1 827 . 19 1 1 A 75 75 LYS HA H 75 4.054 4.036 0.018 1
1 834 . 19 1 1 A 75 75 LYS C C 75 178.301 178.633 -0.332 1
1 835 . 19 1 1 A 75 75 LYS CA C 75 58.908 59.265 -0.357 1
1 836 . 19 1 1 A 75 75 LYS CB C 75 32.463 31.934 0.529 1
1 840 . 19 1 1 A 75 75 LYS N N 75 118.329 118.650 -0.321 1
1 841 . 19 1 1 A 76 76 GLU H H 76 7.769 7.809 -0.040 1
1 842 . 19 1 1 A 76 76 GLU HA H 76 4.051 4.014 0.037 1
1 847 . 19 1 1 A 76 76 GLU C C 76 178.261 179.043 -0.782 1
1 848 . 19 1 1 A 76 76 GLU CA C 76 58.200 59.050 -0.850 1
1 849 . 19 1 1 A 76 76 GLU CB C 76 29.841 29.539 0.302 1
1 851 . 19 1 1 A 76 76 GLU N N 76 119.947 119.102 0.845 1
1 852 . 19 1 1 A 77 77 ILE H H 77 7.826 7.972 -0.146 1
1 853 . 19 1 1 A 77 77 ILE HA H 77 3.856 3.760 0.096 1
1 863 . 19 1 1 A 77 77 ILE C C 77 177.794 177.530 0.264 1
1 864 . 19 1 1 A 77 77 ILE CA C 77 63.454 64.202 -0.748 1
1 865 . 19 1 1 A 77 77 ILE CB C 77 38.016 37.497 0.519 1
1 869 . 19 1 1 A 77 77 ILE N N 77 119.278 117.585 1.693 1
1 870 . 19 1 1 A 78 78 LYS H H 78 7.802 8.559 -0.757 1
1 871 . 19 1 1 A 78 78 LYS HA H 78 4.196 4.021 0.175 1
1 878 . 19 1 1 A 78 78 LYS C C 78 177.591 178.964 -1.373 1
1 879 . 19 1 1 A 78 78 LYS CA C 78 57.728 59.115 -1.387 1
1 880 . 19 1 1 A 78 78 LYS CB C 78 32.601 32.011 0.590 1
1 884 . 19 1 1 A 78 78 LYS N N 78 122.041 122.375 -0.334 1
1 885 . 19 1 1 A 79 79 ARG H H 79 8.053 8.143 -0.090 1
1 886 . 19 1 1 A 79 79 ARG HA H 79 4.196 4.016 0.180 1
1 891 . 19 1 1 A 79 79 ARG C C 79 177.448 178.593 -1.145 1
1 892 . 19 1 1 A 79 79 ARG CA C 79 57.639 59.336 -1.697 1
1 893 . 19 1 1 A 79 79 ARG CB C 79 30.531 29.699 0.832 1
1 896 . 19 1 1 A 79 79 ARG N N 79 120.496 119.599 0.897 1
1 897 . 19 1 1 A 80 80 ARG H H 80 8.083 7.981 0.102 1
1 898 . 19 1 1 A 80 80 ARG HA H 80 4.193 4.071 0.122 1
1 904 . 19 1 1 A 80 80 ARG C C 80 176.786 178.082 -1.296 1
1 905 . 19 1 1 A 80 80 ARG CA C 80 57.196 58.839 -1.643 1
1 906 . 19 1 1 A 80 80 ARG CB C 80 30.531 30.060 0.471 1
1 909 . 19 1 1 A 80 80 ARG N N 80 120.092 119.593 0.499 1
1 910 . 19 1 1 A 81 81 ALA H H 81 8.062 7.458 0.604 1
1 911 . 19 1 1 A 81 81 ALA HA H 81 4.256 4.159 0.097 1
1 915 . 19 1 1 A 81 81 ALA C C 81 178.013 178.781 -0.768 1
1 916 . 19 1 1 A 81 81 ALA CA C 81 53.141 53.683 -0.542 1
1 917 . 19 1 1 A 81 81 ALA CB C 81 19.003 18.257 0.746 1
1 918 . 19 1 1 A 81 81 ALA N N 81 123.434 121.801 1.633 1
1 919 . 19 1 1 A 82 82 ASN H H 82 8.219 7.561 0.658 1
1 920 . 19 1 1 A 82 82 ASN HA H 82 4.661 4.735 -0.074 1
1 925 . 19 1 1 A 82 82 ASN C C 82 175.620 175.129 0.491 1
1 926 . 19 1 1 A 82 82 ASN CA C 82 53.686 54.983 -1.297 1
1 927 . 19 1 1 A 82 82 ASN CB C 82 38.672 39.364 -0.692 1
1 928 . 19 1 1 A 82 82 ASN N N 82 117.551 116.803 0.748 1
1 930 . 19 1 1 A 83 83 ILE H H 83 7.949 7.890 0.059 1
1 931 . 19 1 1 A 83 83 ILE HA H 83 4.077 3.752 0.325 1
1 941 . 19 1 1 A 83 83 ILE C C 83 176.291 175.694 0.597 1
1 942 . 19 1 1 A 83 83 ILE CA C 83 61.695 62.601 -0.906 1
1 943 . 19 1 1 A 83 83 ILE CB C 83 38.672 36.778 1.894 1
1 947 . 19 1 1 A 83 83 ILE N N 83 120.666 120.009 0.657 1
1 948 . 19 1 1 A 84 84 ALA H H 84 8.184 7.961 0.223 1
1 949 . 19 1 1 A 84 84 ALA HA H 84 4.262 4.339 -0.077 1
1 953 . 19 1 1 A 84 84 ALA C C 84 177.794 176.308 1.486 1
1 954 . 19 1 1 A 84 84 ALA CA C 84 53.005 52.060 0.945 1
1 955 . 19 1 1 A 84 84 ALA CB C 84 18.941 17.602 1.339 1
1 956 . 19 1 1 A 84 84 ALA N N 84 126.306 123.228 3.078 1
1 957 . 19 1 1 A 85 85 ALA H H 85 8.019 7.835 0.184 1
1 958 . 19 1 1 A 85 85 ALA HA H 85 4.263 4.534 -0.271 1
1 962 . 19 1 1 A 85 85 ALA C C 85 178.143 177.409 0.734 1
1 963 . 19 1 1 A 85 85 ALA CA C 85 52.857 51.684 1.173 1
1 964 . 19 1 1 A 85 85 ALA CB C 85 19.170 21.995 -2.825 1
1 965 . 19 1 1 A 85 85 ALA N N 85 122.320 118.698 3.622 1
1 966 . 19 1 1 A 86 86 ILE H H 86 7.959 8.579 -0.620 1
1 967 . 19 1 1 A 86 86 ILE HA H 86 4.077 3.793 0.284 1
1 977 . 19 1 1 A 86 86 ILE C C 86 176.697 176.222 0.475 1
1 978 . 19 1 1 A 86 86 ILE CA C 86 61.654 63.992 -2.338 1
1 979 . 19 1 1 A 86 86 ILE CB C 86 38.603 37.653 0.950 1
1 983 . 19 1 1 A 86 86 ILE N N 86 119.762 120.152 -0.390 1
1 984 . 19 1 1 A 87 87 LEU H H 87 8.219 7.472 0.747 1
1 985 . 19 1 1 A 87 87 LEU HA H 87 4.340 4.116 0.224 1
1 995 . 19 1 1 A 87 87 LEU C C 87 177.616 175.445 2.171 1
1 996 . 19 1 1 A 87 87 LEU CA C 87 55.425 55.940 -0.515 1
1 997 . 19 1 1 A 87 87 LEU CB C 87 42.328 42.955 -0.627 1
1 1001 . 19 1 1 A 87 87 LEU N N 87 125.404 125.084 0.320 1
1 1002 . 19 1 1 A 88 88 GLU H H 88 8.321 8.697 -0.376 1
1 1003 . 19 1 1 A 88 88 GLU HA H 88 4.287 5.107 -0.820 1
1 1008 . 19 1 1 A 88 88 GLU C C 88 176.636 174.505 2.131 1
1 1009 . 19 1 1 A 88 88 GLU CA C 88 56.872 54.797 2.075 1
1 1010 . 19 1 1 A 88 88 GLU CB C 88 30.186 33.425 -3.239 1
1 1012 . 19 1 1 A 88 88 GLU N N 88 121.673 127.100 -5.427 1
1 1013 . 19 1 1 A 89 89 SER H H 89 8.254 8.824 -0.570 1
1 1014 . 19 1 1 A 89 89 SER HA H 89 4.483 4.945 -0.462 1
1 1017 . 19 1 1 A 89 89 SER C C 89 174.693 174.482 0.211 1
1 1018 . 19 1 1 A 89 89 SER CA C 89 58.395 57.783 0.612 1
1 1019 . 19 1 1 A 89 89 SER CB C 89 64.017 65.353 -1.336 1
1 1020 . 19 1 1 A 89 89 SER N N 89 116.276 122.734 -6.458 1
1 1021 . 19 1 1 A 90 90 SER H H 90 8.346 9.054 -0.708 1
1 1022 . 19 1 1 A 90 90 SER HA H 90 4.478 4.162 0.316 1
1 1024 . 19 1 1 A 90 90 SER C C 90 174.564 174.572 -0.008 1
1 1025 . 19 1 1 A 90 90 SER CA C 90 58.525 60.475 -1.950 1
1 1026 . 19 1 1 A 90 90 SER CB C 90 64.129 63.488 0.641 1
1 1027 . 19 1 1 A 90 90 SER N N 90 117.689 120.556 -2.867 1
1 1028 . 19 1 1 A 91 91 GLY H H 91 8.213 7.746 0.467 1
1 1029 . 19 1 1 A 91 91 GLY HA2 H 91 4.112 4.031 0.081 1
1 1030 . 19 1 1 A 91 91 GLY HA3 H 91 4.112 4.038 0.074 1
1 1031 . 19 1 1 A 91 91 GLY C C 91 171.803 173.503 -1.700 1
1 1032 . 19 1 1 A 91 91 GLY CA C 91 44.743 44.568 0.175 1
1 1033 . 19 1 1 A 91 91 GLY N N 91 110.570 107.413 3.157 1
1 1034 . 19 1 1 A 92 92 PRO HA H 92 4.530 4.367 0.163 1
1 1035 . 19 1 1 A 93 93 SER HA H 93 4.498 4.182 0.316 1
1 1037 . 19 1 1 A 93 93 SER C C 93 173.981 174.825 -0.844 1
1 1038 . 19 1 1 A 93 93 SER CA C 93 57.378 61.611 -4.233 1
1 1039 . 19 1 1 A 93 93 SER CB C 93 58.505 62.662 -4.157 1
1 1040 . 19 1 1 A 94 94 SER H H 94 8.032 8.015 0.017 1
1 1041 . 19 1 1 A 94 94 SER HA H 94 4.498 4.100 0.398 1
1 1043 . 19 1 1 A 94 94 SER C C 94 173.955 173.687 0.268 1
1 1044 . 19 1 1 A 94 94 SER CA C 94 58.436 59.160 -0.724 1
1 1045 . 19 1 1 A 94 94 SER CB C 94 64.017 62.201 1.816 1
1 1046 . 19 1 1 A 94 94 SER N N 94 116.327 115.425 0.902 1
1 1 . 20 1 1 A 11 11 ARG HA H 11 4.442 5.143 -0.701 1
1 6 . 20 1 1 A 11 11 ARG C C 11 175.365 175.045 0.320 1
1 7 . 20 1 1 A 11 11 ARG CA C 11 55.738 54.816 0.922 1
1 8 . 20 1 1 A 11 11 ARG CB C 11 31.419 34.338 -2.919 1
1 11 . 20 1 1 A 12 12 PHE H H 12 8.430 8.959 -0.529 1
1 12 . 20 1 1 A 12 12 PHE HA H 12 4.481 4.867 -0.386 1
1 20 . 20 1 1 A 12 12 PHE C C 12 174.869 175.449 -0.580 1
1 21 . 20 1 1 A 12 12 PHE CA C 12 58.525 55.417 3.108 1
1 22 . 20 1 1 A 12 12 PHE CB C 12 39.955 40.792 -0.837 1
1 28 . 20 1 1 A 12 12 PHE N N 12 123.637 121.562 2.075 1
1 29 . 20 1 1 A 13 13 THR H H 13 7.543 8.429 -0.886 1
1 30 . 20 1 1 A 13 13 THR HA H 13 4.216 4.131 0.085 1
1 35 . 20 1 1 A 13 13 THR C C 13 172.757 172.730 0.027 1
1 36 . 20 1 1 A 13 13 THR CA C 13 60.703 62.478 -1.775 1
1 37 . 20 1 1 A 13 13 THR CB C 13 70.578 69.371 1.207 1
1 39 . 20 1 1 A 13 13 THR N N 13 122.237 113.751 8.486 1
1 40 . 20 1 1 A 14 14 TRP H H 14 8.427 8.618 -0.191 1
1 41 . 20 1 1 A 14 14 TRP HA H 14 4.195 4.846 -0.651 1
1 50 . 20 1 1 A 14 14 TRP C C 14 177.225 175.437 1.788 1
1 51 . 20 1 1 A 14 14 TRP CA C 14 57.137 55.167 1.970 1
1 52 . 20 1 1 A 14 14 TRP CB C 14 29.919 32.933 -3.014 1
1 58 . 20 1 1 A 14 14 TRP N N 14 125.363 125.604 -0.241 1
1 60 . 20 1 1 A 15 15 ARG H H 15 8.790 9.021 -0.231 1
1 61 . 20 1 1 A 15 15 ARG HA H 15 4.436 4.572 -0.136 1
1 67 . 20 1 1 A 15 15 ARG C C 15 176.254 177.712 -1.458 1
1 68 . 20 1 1 A 15 15 ARG CA C 15 54.848 55.179 -0.331 1
1 69 . 20 1 1 A 15 15 ARG CB C 15 30.217 31.916 -1.699 1
1 72 . 20 1 1 A 15 15 ARG N N 15 124.453 122.628 1.825 1
1 73 . 20 1 1 A 16 16 LYS H H 16 7.990 9.127 -1.137 1
1 74 . 20 1 1 A 16 16 LYS HA H 16 3.949 3.892 0.057 1
1 81 . 20 1 1 A 16 16 LYS C C 16 179.133 178.217 0.916 1
1 82 . 20 1 1 A 16 16 LYS CA C 16 60.206 59.535 0.671 1
1 83 . 20 1 1 A 16 16 LYS CB C 16 32.102 32.216 -0.114 1
1 87 . 20 1 1 A 16 16 LYS N N 16 120.654 124.482 -3.828 1
1 88 . 20 1 1 A 17 17 GLU H H 17 10.775 8.449 2.326 1
1 89 . 20 1 1 A 17 17 GLU HA H 17 4.126 4.035 0.091 1
1 94 . 20 1 1 A 17 17 GLU C C 17 179.581 179.237 0.344 1
1 95 . 20 1 1 A 17 17 GLU CA C 17 60.262 59.373 0.889 1
1 96 . 20 1 1 A 17 17 GLU CB C 17 28.944 29.821 -0.877 1
1 98 . 20 1 1 A 17 17 GLU N N 17 119.914 119.293 0.621 1
1 99 . 20 1 1 A 18 18 CYS H H 18 7.314 8.327 -1.013 1
1 100 . 20 1 1 A 18 18 CYS HA H 18 4.166 4.288 -0.122 1
1 103 . 20 1 1 A 18 18 CYS C C 18 176.250 177.412 -1.162 1
1 104 . 20 1 1 A 18 18 CYS CA C 18 61.093 63.047 -1.954 1
1 105 . 20 1 1 A 18 18 CYS CB C 18 27.636 27.046 0.590 1
1 106 . 20 1 1 A 18 18 CYS N N 18 115.339 118.975 -3.636 1
1 107 . 20 1 1 A 19 19 LEU H H 19 7.975 8.417 -0.442 1
1 108 . 20 1 1 A 19 19 LEU HA H 19 3.365 3.585 -0.220 1
1 118 . 20 1 1 A 19 19 LEU C C 19 178.119 179.079 -0.960 1
1 119 . 20 1 1 A 19 19 LEU CA C 19 58.084 57.624 0.460 1
1 120 . 20 1 1 A 19 19 LEU CB C 19 40.713 40.675 0.038 1
1 124 . 20 1 1 A 19 19 LEU N N 19 120.346 122.893 -2.547 1
1 125 . 20 1 1 A 20 20 ALA H H 20 7.481 7.685 -0.204 1
1 126 . 20 1 1 A 20 20 ALA HA H 20 4.079 3.994 0.085 1
1 130 . 20 1 1 A 20 20 ALA C C 20 180.800 180.371 0.429 1
1 131 . 20 1 1 A 20 20 ALA CA C 20 55.172 55.167 0.005 1
1 132 . 20 1 1 A 20 20 ALA CB C 20 17.975 18.105 -0.130 1
1 133 . 20 1 1 A 20 20 ALA N N 20 119.101 121.977 -2.876 1
1 134 . 20 1 1 A 21 21 VAL H H 21 6.932 7.371 -0.439 1
1 135 . 20 1 1 A 21 21 VAL HA H 21 3.752 3.457 0.295 1
1 143 . 20 1 1 A 21 21 VAL C C 21 178.850 178.165 0.685 1
1 144 . 20 1 1 A 21 21 VAL CA C 21 66.018 67.523 -1.505 1
1 145 . 20 1 1 A 21 21 VAL CB C 21 32.168 31.599 0.569 1
1 148 . 20 1 1 A 21 21 VAL N N 21 118.965 117.822 1.143 1
1 149 . 20 1 1 A 22 22 MET H H 22 7.925 7.840 0.085 1
1 150 . 20 1 1 A 22 22 MET HA H 22 3.894 4.126 -0.232 1
1 158 . 20 1 1 A 22 22 MET C C 22 177.997 178.731 -0.734 1
1 159 . 20 1 1 A 22 22 MET CA C 22 60.060 58.676 1.384 1
1 160 . 20 1 1 A 22 22 MET CB C 22 30.494 31.721 -1.227 1
1 163 . 20 1 1 A 22 22 MET N N 22 118.668 116.858 1.810 1
1 164 . 20 1 1 A 23 23 GLU H H 23 8.452 7.612 0.840 1
1 165 . 20 1 1 A 23 23 GLU HA H 23 4.048 4.057 -0.009 1
1 170 . 20 1 1 A 23 23 GLU C C 23 178.809 179.037 -0.228 1
1 171 . 20 1 1 A 23 23 GLU CA C 23 59.676 59.167 0.509 1
1 172 . 20 1 1 A 23 23 GLU CB C 23 29.289 28.869 0.420 1
1 174 . 20 1 1 A 23 23 GLU N N 23 118.239 119.643 -1.404 1
1 175 . 20 1 1 A 24 24 SER H H 24 7.431 7.569 -0.138 1
1 176 . 20 1 1 A 24 24 SER HA H 24 4.279 4.266 0.013 1
1 179 . 20 1 1 A 24 24 SER C C 24 177.916 177.273 0.643 1
1 180 . 20 1 1 A 24 24 SER CA C 24 61.785 61.622 0.163 1
1 181 . 20 1 1 A 24 24 SER CB C 24 62.616 63.143 -0.527 1
1 182 . 20 1 1 A 24 24 SER N N 24 113.792 116.017 -2.225 1
1 183 . 20 1 1 A 25 25 TYR H H 25 7.845 8.262 -0.417 1
1 184 . 20 1 1 A 25 25 TYR HA H 25 4.354 4.354 0.000 1
1 191 . 20 1 1 A 25 25 TYR C C 25 178.789 178.925 -0.136 1
1 192 . 20 1 1 A 25 25 TYR CA C 25 63.193 60.777 2.416 1
1 193 . 20 1 1 A 25 25 TYR CB C 25 38.706 37.964 0.742 1
1 198 . 20 1 1 A 25 25 TYR N N 25 120.184 119.342 0.842 1
1 199 . 20 1 1 A 26 26 PHE H H 26 9.279 8.109 1.170 1
1 200 . 20 1 1 A 26 26 PHE HA H 26 4.237 4.682 -0.445 1
1 208 . 20 1 1 A 26 26 PHE C C 26 175.885 177.889 -2.004 1
1 209 . 20 1 1 A 26 26 PHE CA C 26 62.008 61.568 0.440 1
1 210 . 20 1 1 A 26 26 PHE CB C 26 39.072 38.952 0.120 1
1 216 . 20 1 1 A 26 26 PHE N N 26 123.634 120.771 2.863 1
1 217 . 20 1 1 A 27 27 ASN H H 27 7.807 8.138 -0.331 1
1 218 . 20 1 1 A 27 27 ASN HA H 27 4.409 4.382 0.027 1
1 223 . 20 1 1 A 27 27 ASN C C 27 176.108 177.510 -1.402 1
1 224 . 20 1 1 A 27 27 ASN CA C 27 55.307 56.451 -1.144 1
1 225 . 20 1 1 A 27 27 ASN CB C 27 38.810 37.908 0.902 1
1 226 . 20 1 1 A 27 27 ASN N N 27 112.896 116.975 -4.079 1
1 228 . 20 1 1 A 28 28 GLU H H 28 7.431 7.962 -0.531 1
1 229 . 20 1 1 A 28 28 GLU HA H 28 4.274 4.256 0.018 1
1 234 . 20 1 1 A 28 28 GLU C C 28 176.880 176.529 0.351 1
1 235 . 20 1 1 A 28 28 GLU CA C 28 57.875 58.063 -0.188 1
1 236 . 20 1 1 A 28 28 GLU CB C 28 30.965 29.421 1.544 1
1 238 . 20 1 1 A 28 28 GLU N N 28 117.899 114.841 3.058 1
1 239 . 20 1 1 A 29 29 ASN H H 29 7.950 8.124 -0.174 1
1 240 . 20 1 1 A 29 29 ASN HA H 29 4.562 4.966 -0.404 1
1 245 . 20 1 1 A 29 29 ASN C C 29 174.036 174.992 -0.956 1
1 246 . 20 1 1 A 29 29 ASN CA C 29 53.654 52.820 0.834 1
1 247 . 20 1 1 A 29 29 ASN CB C 29 39.361 40.473 -1.112 1
1 248 . 20 1 1 A 29 29 ASN N N 29 116.656 117.559 -0.903 1
1 250 . 20 1 1 A 30 30 GLN H H 30 8.658 8.370 0.288 1
1 251 . 20 1 1 A 30 30 GLN HA H 30 3.848 3.030 0.818 1
1 258 . 20 1 1 A 30 30 GLN C C 30 174.503 175.319 -0.816 1
1 259 . 20 1 1 A 30 30 GLN CA C 30 57.336 58.045 -0.709 1
1 260 . 20 1 1 A 30 30 GLN CB C 30 27.978 28.770 -0.792 1
1 262 . 20 1 1 A 30 30 GLN N N 30 122.486 123.344 -0.858 1
1 264 . 20 1 1 A 31 31 TYR H H 31 8.181 8.058 0.123 1
1 265 . 20 1 1 A 31 31 TYR HA H 31 4.769 5.156 -0.387 1
1 272 . 20 1 1 A 31 31 TYR C C 31 172.816 173.092 -0.276 1
1 273 . 20 1 1 A 31 31 TYR CA C 31 55.409 54.223 1.186 1
1 274 . 20 1 1 A 31 31 TYR CB C 31 38.938 38.761 0.177 1
1 279 . 20 1 1 A 31 31 TYR N N 31 116.012 117.597 -1.585 1
1 280 . 20 1 1 A 32 32 PRO HA H 32 4.320 4.593 -0.273 1
1 287 . 20 1 1 A 32 32 PRO C C 32 177.530 177.002 0.528 1
1 288 . 20 1 1 A 32 32 PRO CA C 32 63.041 62.875 0.166 1
1 289 . 20 1 1 A 32 32 PRO CB C 32 31.052 32.143 -1.091 1
1 292 . 20 1 1 A 33 33 ASP H H 33 8.439 8.446 -0.007 1
1 293 . 20 1 1 A 33 33 ASP HA H 33 4.475 4.683 -0.208 1
1 296 . 20 1 1 A 33 33 ASP C C 33 175.397 177.501 -2.104 1
1 297 . 20 1 1 A 33 33 ASP CA C 33 52.562 53.942 -1.380 1
1 298 . 20 1 1 A 33 33 ASP CB C 33 40.363 42.041 -1.678 1
1 299 . 20 1 1 A 33 33 ASP N N 33 125.278 122.106 3.172 1
1 300 . 20 1 1 A 34 34 GLU H H 34 8.644 8.723 -0.079 1
1 301 . 20 1 1 A 34 34 GLU HA H 34 3.613 3.846 -0.233 1
1 306 . 20 1 1 A 34 34 GLU C C 34 178.261 178.635 -0.374 1
1 307 . 20 1 1 A 34 34 GLU CA C 34 61.565 58.906 2.659 1
1 308 . 20 1 1 A 34 34 GLU CB C 34 29.289 29.463 -0.174 1
1 310 . 20 1 1 A 34 34 GLU N N 34 118.756 120.993 -2.237 1
1 311 . 20 1 1 A 35 35 ALA H H 35 8.121 8.105 0.016 1
1 312 . 20 1 1 A 35 35 ALA HA H 35 4.155 4.064 0.091 1
1 316 . 20 1 1 A 35 35 ALA C C 35 181.307 179.638 1.669 1
1 317 . 20 1 1 A 35 35 ALA CA C 35 54.953 55.340 -0.387 1
1 318 . 20 1 1 A 35 35 ALA CB C 35 17.975 18.156 -0.181 1
1 319 . 20 1 1 A 35 35 ALA N N 35 121.196 122.143 -0.947 1
1 320 . 20 1 1 A 36 36 LYS H H 36 8.448 7.896 0.552 1
1 321 . 20 1 1 A 36 36 LYS HA H 36 4.157 4.008 0.149 1
1 330 . 20 1 1 A 36 36 LYS C C 36 178.769 178.791 -0.022 1
1 331 . 20 1 1 A 36 36 LYS CA C 36 56.576 59.622 -3.046 1
1 332 . 20 1 1 A 36 36 LYS CB C 36 29.689 32.199 -2.510 1
1 336 . 20 1 1 A 36 36 LYS N N 36 121.690 118.504 3.186 1
1 337 . 20 1 1 A 37 37 ARG H H 37 8.977 8.255 0.722 1
1 338 . 20 1 1 A 37 37 ARG HA H 37 3.711 3.948 -0.237 1
1 345 . 20 1 1 A 37 37 ARG C C 37 178.444 178.803 -0.359 1
1 346 . 20 1 1 A 37 37 ARG CA C 37 61.131 59.365 1.766 1
1 347 . 20 1 1 A 37 37 ARG CB C 37 30.941 29.695 1.246 1
1 350 . 20 1 1 A 37 37 ARG N N 37 117.588 118.923 -1.335 1
1 351 . 20 1 1 A 38 38 GLU H H 38 7.750 7.984 -0.234 1
1 352 . 20 1 1 A 38 38 GLU HA H 38 4.083 4.124 -0.041 1
1 357 . 20 1 1 A 38 38 GLU C C 38 178.301 179.315 -1.014 1
1 358 . 20 1 1 A 38 38 GLU CA C 38 59.321 58.395 0.926 1
1 359 . 20 1 1 A 38 38 GLU CB C 38 29.013 29.402 -0.389 1
1 361 . 20 1 1 A 38 38 GLU N N 38 119.080 119.725 -0.645 1
1 362 . 20 1 1 A 39 39 GLU H H 39 7.540 7.988 -0.448 1
1 363 . 20 1 1 A 39 39 GLU HA H 39 4.048 4.043 0.005 1
1 368 . 20 1 1 A 39 39 GLU C C 39 179.784 178.670 1.114 1
1 369 . 20 1 1 A 39 39 GLU CA C 39 59.646 59.124 0.522 1
1 370 . 20 1 1 A 39 39 GLU CB C 39 29.409 29.713 -0.304 1
1 372 . 20 1 1 A 39 39 GLU N N 39 121.188 119.564 1.624 1
1 373 . 20 1 1 A 40 40 ILE H H 40 8.634 7.777 0.857 1
1 374 . 20 1 1 A 40 40 ILE HA H 40 3.133 3.385 -0.252 1
1 384 . 20 1 1 A 40 40 ILE C C 40 178.119 177.586 0.533 1
1 385 . 20 1 1 A 40 40 ILE CA C 40 65.462 63.065 2.397 1
1 386 . 20 1 1 A 40 40 ILE CB C 40 37.951 36.528 1.423 1
1 390 . 20 1 1 A 40 40 ILE N N 40 121.126 120.086 1.040 1
1 391 . 20 1 1 A 41 41 ALA H H 41 8.462 8.100 0.362 1
1 392 . 20 1 1 A 41 41 ALA HA H 41 3.713 4.007 -0.294 1
1 396 . 20 1 1 A 41 41 ALA C C 41 178.850 180.371 -1.521 1
1 397 . 20 1 1 A 41 41 ALA CA C 41 56.014 55.606 0.408 1
1 398 . 20 1 1 A 41 41 ALA CB C 41 16.779 17.887 -1.108 1
1 399 . 20 1 1 A 41 41 ALA N N 41 123.029 123.830 -0.801 1
1 400 . 20 1 1 A 42 42 ASN H H 42 8.264 8.656 -0.392 1
1 401 . 20 1 1 A 42 42 ASN HA H 42 4.521 4.450 0.071 1
1 406 . 20 1 1 A 42 42 ASN C C 42 178.220 177.618 0.602 1
1 407 . 20 1 1 A 42 42 ASN CA C 42 56.193 55.903 0.290 1
1 408 . 20 1 1 A 42 42 ASN CB C 42 37.775 37.783 -0.008 1
1 409 . 20 1 1 A 42 42 ASN N N 42 115.462 117.849 -2.387 1
1 411 . 20 1 1 A 43 43 ALA H H 43 8.403 7.601 0.802 1
1 412 . 20 1 1 A 43 43 ALA HA H 43 4.273 4.123 0.150 1
1 416 . 20 1 1 A 43 43 ALA C C 43 180.962 179.929 1.033 1
1 417 . 20 1 1 A 43 43 ALA CA C 43 55.200 55.070 0.130 1
1 418 . 20 1 1 A 43 43 ALA CB C 43 18.478 17.956 0.522 1
1 419 . 20 1 1 A 43 43 ALA N N 43 125.139 122.117 3.022 1
1 420 . 20 1 1 A 44 44 CYS H H 44 8.457 7.729 0.728 1
1 421 . 20 1 1 A 44 44 CYS HA H 44 4.156 4.136 0.020 1
1 424 . 20 1 1 A 44 44 CYS C C 44 176.534 177.201 -0.667 1
1 425 . 20 1 1 A 44 44 CYS CA C 44 64.768 63.746 1.022 1
1 426 . 20 1 1 A 44 44 CYS CB C 44 27.644 27.115 0.529 1
1 427 . 20 1 1 A 44 44 CYS N N 44 116.609 116.252 0.357 1
1 428 . 20 1 1 A 45 45 ASN H H 45 8.346 7.869 0.477 1
1 429 . 20 1 1 A 45 45 ASN HA H 45 4.613 4.510 0.103 1
1 434 . 20 1 1 A 45 45 ASN C C 45 177.631 177.752 -0.121 1
1 435 . 20 1 1 A 45 45 ASN CA C 45 55.723 56.114 -0.391 1
1 436 . 20 1 1 A 45 45 ASN CB C 45 37.526 37.997 -0.471 1
1 437 . 20 1 1 A 45 45 ASN N N 45 117.491 118.471 -0.980 1
1 439 . 20 1 1 A 46 46 ALA H H 46 8.014 7.628 0.386 1
1 440 . 20 1 1 A 46 46 ALA HA H 46 4.200 4.056 0.144 1
1 444 . 20 1 1 A 46 46 ALA C C 46 180.292 179.702 0.590 1
1 445 . 20 1 1 A 46 46 ALA CA C 46 54.805 55.084 -0.279 1
1 446 . 20 1 1 A 46 46 ALA CB C 46 18.283 18.325 -0.042 1
1 447 . 20 1 1 A 46 46 ALA N N 46 120.198 123.490 -3.292 1
1 448 . 20 1 1 A 47 47 VAL H H 47 7.240 7.996 -0.756 1
1 449 . 20 1 1 A 47 47 VAL HA H 47 4.306 3.825 0.481 1
1 457 . 20 1 1 A 47 47 VAL C C 47 177.083 177.492 -0.409 1
1 458 . 20 1 1 A 47 47 VAL CA C 47 63.484 65.504 -2.020 1
1 459 . 20 1 1 A 47 47 VAL CB C 47 31.935 31.548 0.387 1
1 462 . 20 1 1 A 47 47 VAL N N 47 110.165 116.417 -6.252 1
1 463 . 20 1 1 A 48 48 ILE H H 48 7.146 7.342 -0.196 1
1 464 . 20 1 1 A 48 48 ILE HA H 48 4.473 4.203 0.270 1
1 474 . 20 1 1 A 48 48 ILE C C 48 175.966 176.011 -0.045 1
1 475 . 20 1 1 A 48 48 ILE CA C 48 62.055 63.326 -1.271 1
1 476 . 20 1 1 A 48 48 ILE CB C 48 39.444 38.201 1.243 1
1 480 . 20 1 1 A 48 48 ILE N N 48 112.085 116.813 -4.728 1
1 481 . 20 1 1 A 49 49 GLN H H 49 7.671 8.134 -0.463 1
1 482 . 20 1 1 A 49 49 GLN HA H 49 4.254 4.094 0.160 1
1 489 . 20 1 1 A 49 49 GLN C C 49 175.417 175.312 0.105 1
1 490 . 20 1 1 A 49 49 GLN CA C 49 56.370 56.536 -0.166 1
1 491 . 20 1 1 A 49 49 GLN CB C 49 29.289 29.030 0.259 1
1 493 . 20 1 1 A 49 49 GLN N N 49 123.076 123.491 -0.415 1
1 495 . 20 1 1 A 50 50 LYS H H 50 8.932 8.543 0.389 1
1 496 . 20 1 1 A 50 50 LYS HA H 50 4.760 4.753 0.007 1
1 502 . 20 1 1 A 50 50 LYS C C 50 174.497 174.023 0.474 1
1 503 . 20 1 1 A 50 50 LYS CA C 50 53.341 53.025 0.316 1
1 504 . 20 1 1 A 50 50 LYS CB C 50 32.860 33.513 -0.653 1
1 506 . 20 1 1 A 50 50 LYS N N 50 127.505 126.964 0.541 1
1 507 . 20 1 1 A 51 51 PRO HA H 51 4.328 4.303 0.025 1
1 514 . 20 1 1 A 51 51 PRO CA C 51 64.015 63.746 0.269 1
1 515 . 20 1 1 A 51 51 PRO CB C 51 31.590 31.264 0.326 1
1 518 . 20 1 1 A 52 52 GLY H H 52 8.752 8.783 -0.031 1
1 519 . 20 1 1 A 52 52 GLY HA2 H 52 4.113 3.971 0.142 1
1 520 . 20 1 1 A 52 52 GLY HA3 H 52 3.728 3.971 -0.243 1
1 521 . 20 1 1 A 52 52 GLY C C 52 173.732 173.551 0.181 1
1 522 . 20 1 1 A 52 52 GLY CA C 52 45.646 45.652 -0.006 1
1 523 . 20 1 1 A 53 53 LYS H H 53 7.734 7.409 0.325 1
1 524 . 20 1 1 A 53 53 LYS HA H 53 4.621 4.730 -0.109 1
1 531 . 20 1 1 A 53 53 LYS C C 53 175.681 174.769 0.912 1
1 532 . 20 1 1 A 53 53 LYS CA C 53 54.451 54.736 -0.285 1
1 533 . 20 1 1 A 53 53 LYS CB C 53 34.466 35.391 -0.925 1
1 537 . 20 1 1 A 53 53 LYS N N 53 120.205 121.004 -0.799 1
1 538 . 20 1 1 A 54 54 LYS H H 54 8.536 8.603 -0.067 1
1 539 . 20 1 1 A 54 54 LYS HA H 54 4.412 4.740 -0.328 1
1 546 . 20 1 1 A 54 54 LYS C C 54 177.022 176.764 0.258 1
1 547 . 20 1 1 A 54 54 LYS CA C 54 55.691 55.112 0.579 1
1 548 . 20 1 1 A 54 54 LYS CB C 54 33.453 34.089 -0.636 1
1 552 . 20 1 1 A 54 54 LYS N N 54 124.424 125.930 -1.506 1
1 553 . 20 1 1 A 55 55 LEU H H 55 8.656 8.637 0.019 1
1 554 . 20 1 1 A 55 55 LEU HA H 55 4.407 4.350 0.057 1
1 564 . 20 1 1 A 55 55 LEU C C 55 177.448 176.566 0.882 1
1 565 . 20 1 1 A 55 55 LEU CA C 55 54.670 54.922 -0.252 1
1 566 . 20 1 1 A 55 55 LEU CB C 55 43.243 42.351 0.892 1
1 570 . 20 1 1 A 55 55 LEU N N 55 126.145 124.253 1.892 1
1 571 . 20 1 1 A 56 56 SER H H 56 9.313 8.750 0.563 1
1 572 . 20 1 1 A 56 56 SER HA H 56 4.496 4.780 -0.284 1
1 575 . 20 1 1 A 56 56 SER C C 56 175.226 174.984 0.242 1
1 576 . 20 1 1 A 56 56 SER CA C 56 57.507 57.348 0.159 1
1 577 . 20 1 1 A 56 56 SER CB C 56 64.802 65.584 -0.782 1
1 578 . 20 1 1 A 56 56 SER N N 56 121.790 117.075 4.715 1
1 579 . 20 1 1 A 57 57 ASP H H 57 8.929 9.123 -0.194 1
1 580 . 20 1 1 A 57 57 ASP HA H 57 4.314 4.279 0.035 1
1 583 . 20 1 1 A 57 57 ASP C C 57 177.855 178.560 -0.705 1
1 584 . 20 1 1 A 57 57 ASP CA C 57 57.403 56.638 0.765 1
1 585 . 20 1 1 A 57 57 ASP CB C 57 40.353 39.928 0.425 1
1 586 . 20 1 1 A 58 58 LEU H H 58 7.824 8.074 -0.250 1
1 587 . 20 1 1 A 58 58 LEU HA H 58 4.194 3.976 0.218 1
1 597 . 20 1 1 A 58 58 LEU C C 58 177.509 178.886 -1.377 1
1 598 . 20 1 1 A 58 58 LEU CA C 58 56.754 57.947 -1.193 1
1 599 . 20 1 1 A 58 58 LEU CB C 58 42.259 41.034 1.225 1
1 603 . 20 1 1 A 58 58 LEU N N 58 117.552 121.183 -3.631 1
1 604 . 20 1 1 A 59 59 GLU H H 59 7.325 7.355 -0.030 1
1 605 . 20 1 1 A 59 59 GLU HA H 59 4.286 4.453 -0.167 1
1 610 . 20 1 1 A 59 59 GLU C C 59 175.661 176.623 -0.962 1
1 611 . 20 1 1 A 59 59 GLU CA C 59 56.370 56.940 -0.570 1
1 612 . 20 1 1 A 59 59 GLU CB C 59 32.314 30.392 1.922 1
1 614 . 20 1 1 A 59 59 GLU N N 59 115.631 116.548 -0.917 1
1 615 . 20 1 1 A 60 60 ARG H H 60 7.408 7.896 -0.488 1
1 616 . 20 1 1 A 60 60 ARG HA H 60 3.948 4.458 -0.510 1
1 623 . 20 1 1 A 60 60 ARG C C 60 175.194 175.358 -0.164 1
1 624 . 20 1 1 A 60 60 ARG CA C 60 57.167 56.444 0.723 1
1 625 . 20 1 1 A 60 60 ARG CB C 60 31.083 30.642 0.441 1
1 628 . 20 1 1 A 60 60 ARG N N 60 118.018 122.521 -4.503 1
1 629 . 20 1 1 A 61 61 VAL H H 61 10.175 9.087 1.088 1
1 630 . 20 1 1 A 61 61 VAL HA H 61 3.462 4.438 -0.976 1
1 638 . 20 1 1 A 61 61 VAL C C 61 175.681 176.221 -0.540 1
1 639 . 20 1 1 A 61 61 VAL CA C 61 65.077 61.362 3.715 1
1 640 . 20 1 1 A 61 61 VAL CB C 61 31.702 32.540 -0.838 1
1 643 . 20 1 1 A 61 61 VAL N N 61 128.658 126.376 2.282 1
1 644 . 20 1 1 A 62 62 THR H H 62 6.270 8.734 -2.464 1
1 645 . 20 1 1 A 62 62 THR HA H 62 4.780 4.760 0.020 1
1 650 . 20 1 1 A 62 62 THR C C 62 175.064 176.275 -1.211 1
1 651 . 20 1 1 A 62 62 THR CA C 62 58.600 60.144 -1.544 1
1 652 . 20 1 1 A 62 62 THR CB C 62 72.355 71.713 0.642 1
1 654 . 20 1 1 A 62 62 THR N N 62 114.178 120.488 -6.310 1
1 655 . 20 1 1 A 63 63 SER HA H 63 3.869 4.139 -0.270 1
1 658 . 20 1 1 A 63 63 SER C C 63 176.656 176.691 -0.035 1
1 659 . 20 1 1 A 63 63 SER CA C 63 61.433 62.070 -0.637 1
1 660 . 20 1 1 A 63 63 SER CB C 63 62.197 62.391 -0.194 1
1 661 . 20 1 1 A 64 64 LEU H H 64 8.062 7.706 0.356 1
1 662 . 20 1 1 A 64 64 LEU HA H 64 4.367 4.165 0.202 1
1 672 . 20 1 1 A 64 64 LEU C C 64 178.789 179.138 -0.349 1
1 673 . 20 1 1 A 64 64 LEU CA C 64 57.964 57.885 0.079 1
1 674 . 20 1 1 A 64 64 LEU CB C 64 42.052 41.834 0.218 1
1 678 . 20 1 1 A 64 64 LEU N N 64 123.294 124.998 -1.704 1
1 679 . 20 1 1 A 65 65 LYS H H 65 7.524 7.822 -0.298 1
1 680 . 20 1 1 A 65 65 LYS HA H 65 4.292 4.164 0.128 1
1 689 . 20 1 1 A 65 65 LYS C C 65 180.779 179.622 1.157 1
1 690 . 20 1 1 A 65 65 LYS CA C 65 60.266 59.656 0.610 1
1 691 . 20 1 1 A 65 65 LYS CB C 65 32.808 32.528 0.280 1
1 695 . 20 1 1 A 65 65 LYS N N 65 119.262 119.049 0.213 1
1 696 . 20 1 1 A 66 66 VAL H H 66 8.290 7.687 0.603 1
1 697 . 20 1 1 A 66 66 VAL HA H 66 4.075 3.855 0.220 1
1 705 . 20 1 1 A 66 66 VAL C C 66 177.509 177.935 -0.426 1
1 706 . 20 1 1 A 66 66 VAL CA C 66 66.963 66.538 0.425 1
1 707 . 20 1 1 A 66 66 VAL CB C 66 32.419 31.779 0.640 1
1 710 . 20 1 1 A 66 66 VAL N N 66 119.900 120.244 -0.344 1
1 711 . 20 1 1 A 67 67 TYR H H 67 8.893 8.313 0.580 1
1 712 . 20 1 1 A 67 67 TYR HA H 67 3.857 4.242 -0.385 1
1 719 . 20 1 1 A 67 67 TYR C C 67 177.956 178.059 -0.103 1
1 720 . 20 1 1 A 67 67 TYR CA C 67 62.897 61.713 1.184 1
1 721 . 20 1 1 A 67 67 TYR CB C 67 38.326 38.680 -0.354 1
1 726 . 20 1 1 A 67 67 TYR N N 67 120.861 121.206 -0.345 1
1 727 . 20 1 1 A 68 68 ASN H H 68 8.561 8.192 0.369 1
1 728 . 20 1 1 A 68 68 ASN HA H 68 4.545 4.483 0.062 1
1 733 . 20 1 1 A 68 68 ASN C C 68 177.570 178.328 -0.758 1
1 734 . 20 1 1 A 68 68 ASN CA C 68 56.222 56.649 -0.427 1
1 735 . 20 1 1 A 68 68 ASN CB C 68 38.465 38.575 -0.110 1
1 736 . 20 1 1 A 68 68 ASN N N 68 117.386 116.877 0.509 1
1 738 . 20 1 1 A 69 69 TRP H H 69 8.655 8.182 0.473 1
1 739 . 20 1 1 A 69 69 TRP HA H 69 4.151 4.330 -0.179 1
1 748 . 20 1 1 A 69 69 TRP C C 69 179.764 178.410 1.354 1
1 749 . 20 1 1 A 69 69 TRP CA C 69 63.194 61.542 1.652 1
1 750 . 20 1 1 A 69 69 TRP CB C 69 29.720 29.350 0.370 1
1 756 . 20 1 1 A 69 69 TRP N N 69 123.454 122.823 0.631 1
1 758 . 20 1 1 A 70 70 PHE H H 70 9.166 8.665 0.501 1
1 759 . 20 1 1 A 70 70 PHE HA H 70 3.745 4.531 -0.786 1
1 767 . 20 1 1 A 70 70 PHE C C 70 177.469 178.429 -0.960 1
1 768 . 20 1 1 A 70 70 PHE CA C 70 62.862 61.810 1.052 1
1 769 . 20 1 1 A 70 70 PHE CB C 70 39.115 38.319 0.796 1
1 775 . 20 1 1 A 70 70 PHE N N 70 120.259 118.378 1.881 1
1 776 . 20 1 1 A 71 71 ALA H H 71 8.169 8.449 -0.280 1
1 777 . 20 1 1 A 71 71 ALA HA H 71 3.868 4.121 -0.253 1
1 781 . 20 1 1 A 71 71 ALA C C 71 180.698 180.054 0.644 1
1 782 . 20 1 1 A 71 71 ALA CA C 71 55.307 54.915 0.392 1
1 783 . 20 1 1 A 71 71 ALA CB C 71 17.697 18.078 -0.381 1
1 784 . 20 1 1 A 71 71 ALA N N 71 120.051 122.783 -2.732 1
1 785 . 20 1 1 A 72 72 ASN H H 72 7.789 7.696 0.093 1
1 786 . 20 1 1 A 72 72 ASN HA H 72 4.280 4.299 -0.019 1
1 791 . 20 1 1 A 72 72 ASN C C 72 177.022 177.626 -0.604 1
1 792 . 20 1 1 A 72 72 ASN CA C 72 56.222 56.182 0.040 1
1 793 . 20 1 1 A 72 72 ASN CB C 72 38.363 39.040 -0.677 1
1 794 . 20 1 1 A 72 72 ASN N N 72 116.515 116.650 -0.135 1
1 796 . 20 1 1 A 73 73 ARG H H 73 7.999 7.290 0.709 1
1 797 . 20 1 1 A 73 73 ARG HA H 73 3.416 3.672 -0.256 1
1 805 . 20 1 1 A 73 73 ARG C C 73 178.708 178.803 -0.095 1
1 806 . 20 1 1 A 73 73 ARG CA C 73 57.403 59.127 -1.724 1
1 807 . 20 1 1 A 73 73 ARG CB C 73 28.264 29.281 -1.017 1
1 810 . 20 1 1 A 73 73 ARG N N 73 123.203 119.419 3.784 1
1 812 . 20 1 1 A 74 74 ARG H H 74 8.033 7.881 0.152 1
1 813 . 20 1 1 A 74 74 ARG HA H 74 4.017 4.104 -0.087 1
1 820 . 20 1 1 A 74 74 ARG C C 74 178.850 179.144 -0.294 1
1 821 . 20 1 1 A 74 74 ARG CA C 74 60.414 59.666 0.748 1
1 822 . 20 1 1 A 74 74 ARG CB C 74 31.221 29.957 1.264 1
1 825 . 20 1 1 A 74 74 ARG N N 74 116.187 118.969 -2.782 1
1 826 . 20 1 1 A 75 75 LYS H H 75 7.359 8.158 -0.799 1
1 827 . 20 1 1 A 75 75 LYS HA H 75 4.054 4.058 -0.004 1
1 834 . 20 1 1 A 75 75 LYS C C 75 178.301 178.845 -0.544 1
1 835 . 20 1 1 A 75 75 LYS CA C 75 58.908 59.294 -0.386 1
1 836 . 20 1 1 A 75 75 LYS CB C 75 32.463 32.004 0.459 1
1 840 . 20 1 1 A 75 75 LYS N N 75 118.329 118.620 -0.291 1
1 841 . 20 1 1 A 76 76 GLU H H 76 7.769 7.668 0.101 1
1 842 . 20 1 1 A 76 76 GLU HA H 76 4.051 4.016 0.035 1
1 847 . 20 1 1 A 76 76 GLU C C 76 178.261 178.804 -0.543 1
1 848 . 20 1 1 A 76 76 GLU CA C 76 58.200 58.981 -0.781 1
1 849 . 20 1 1 A 76 76 GLU CB C 76 29.841 29.381 0.460 1
1 851 . 20 1 1 A 76 76 GLU N N 76 119.947 118.825 1.122 1
1 852 . 20 1 1 A 77 77 ILE H H 77 7.826 8.134 -0.308 1
1 853 . 20 1 1 A 77 77 ILE HA H 77 3.856 3.756 0.100 1
1 863 . 20 1 1 A 77 77 ILE C C 77 177.794 177.991 -0.197 1
1 864 . 20 1 1 A 77 77 ILE CA C 77 63.454 64.345 -0.891 1
1 865 . 20 1 1 A 77 77 ILE CB C 77 38.016 37.499 0.517 1
1 869 . 20 1 1 A 77 77 ILE N N 77 119.278 119.511 -0.233 1
1 870 . 20 1 1 A 78 78 LYS H H 78 7.802 7.839 -0.037 1
1 871 . 20 1 1 A 78 78 LYS HA H 78 4.196 3.968 0.228 1
1 878 . 20 1 1 A 78 78 LYS C C 78 177.591 178.027 -0.436 1
1 879 . 20 1 1 A 78 78 LYS CA C 78 57.728 59.234 -1.506 1
1 880 . 20 1 1 A 78 78 LYS CB C 78 32.601 32.312 0.289 1
1 884 . 20 1 1 A 78 78 LYS N N 78 122.041 121.643 0.398 1
1 885 . 20 1 1 A 79 79 ARG H H 79 8.053 8.082 -0.029 1
1 886 . 20 1 1 A 79 79 ARG HA H 79 4.196 4.057 0.139 1
1 891 . 20 1 1 A 79 79 ARG C C 79 177.448 178.806 -1.358 1
1 892 . 20 1 1 A 79 79 ARG CA C 79 57.639 59.382 -1.743 1
1 893 . 20 1 1 A 79 79 ARG CB C 79 30.531 29.953 0.578 1
1 896 . 20 1 1 A 79 79 ARG N N 79 120.496 119.050 1.446 1
1 897 . 20 1 1 A 80 80 ARG H H 80 8.083 7.933 0.150 1
1 898 . 20 1 1 A 80 80 ARG HA H 80 4.193 4.024 0.169 1
1 904 . 20 1 1 A 80 80 ARG C C 80 176.786 178.760 -1.974 1
1 905 . 20 1 1 A 80 80 ARG CA C 80 57.196 58.827 -1.631 1
1 906 . 20 1 1 A 80 80 ARG CB C 80 30.531 29.866 0.665 1
1 909 . 20 1 1 A 80 80 ARG N N 80 120.092 119.249 0.843 1
1 910 . 20 1 1 A 81 81 ALA H H 81 8.062 8.209 -0.147 1
1 911 . 20 1 1 A 81 81 ALA HA H 81 4.256 4.064 0.192 1
1 915 . 20 1 1 A 81 81 ALA C C 81 178.013 179.096 -1.083 1
1 916 . 20 1 1 A 81 81 ALA CA C 81 53.141 54.138 -0.997 1
1 917 . 20 1 1 A 81 81 ALA CB C 81 19.003 18.250 0.753 1
1 918 . 20 1 1 A 81 81 ALA N N 81 123.434 122.124 1.310 1
1 919 . 20 1 1 A 82 82 ASN H H 82 8.219 7.346 0.873 1
1 920 . 20 1 1 A 82 82 ASN HA H 82 4.661 4.696 -0.035 1
1 925 . 20 1 1 A 82 82 ASN C C 82 175.620 175.088 0.532 1
1 926 . 20 1 1 A 82 82 ASN CA C 82 53.686 55.242 -1.556 1
1 927 . 20 1 1 A 82 82 ASN CB C 82 38.672 39.279 -0.607 1
1 928 . 20 1 1 A 82 82 ASN N N 82 117.551 116.832 0.719 1
1 930 . 20 1 1 A 83 83 ILE H H 83 7.949 7.843 0.106 1
1 931 . 20 1 1 A 83 83 ILE HA H 83 4.077 3.755 0.322 1
1 941 . 20 1 1 A 83 83 ILE C C 83 176.291 175.779 0.512 1
1 942 . 20 1 1 A 83 83 ILE CA C 83 61.695 62.581 -0.886 1
1 943 . 20 1 1 A 83 83 ILE CB C 83 38.672 36.709 1.963 1
1 947 . 20 1 1 A 83 83 ILE N N 83 120.666 120.097 0.569 1
1 948 . 20 1 1 A 84 84 ALA H H 84 8.184 8.058 0.126 1
1 949 . 20 1 1 A 84 84 ALA HA H 84 4.262 4.381 -0.119 1
1 953 . 20 1 1 A 84 84 ALA C C 84 177.794 175.963 1.831 1
1 954 . 20 1 1 A 84 84 ALA CA C 84 53.005 52.311 0.694 1
1 955 . 20 1 1 A 84 84 ALA CB C 84 18.941 18.385 0.556 1
1 956 . 20 1 1 A 84 84 ALA N N 84 126.306 123.044 3.262 1
1 957 . 20 1 1 A 85 85 ALA H H 85 8.019 7.492 0.527 1
1 958 . 20 1 1 A 85 85 ALA HA H 85 4.263 4.583 -0.320 1
1 962 . 20 1 1 A 85 85 ALA C C 85 178.143 178.475 -0.332 1
1 963 . 20 1 1 A 85 85 ALA CA C 85 52.857 50.626 2.231 1
1 964 . 20 1 1 A 85 85 ALA CB C 85 19.170 20.687 -1.517 1
1 965 . 20 1 1 A 85 85 ALA N N 85 122.320 121.214 1.106 1
1 966 . 20 1 1 A 86 86 ILE H H 86 7.959 8.700 -0.741 1
1 967 . 20 1 1 A 86 86 ILE HA H 86 4.077 3.729 0.348 1
1 977 . 20 1 1 A 86 86 ILE C C 86 176.697 177.353 -0.656 1
1 978 . 20 1 1 A 86 86 ILE CA C 86 61.654 63.942 -2.288 1
1 979 . 20 1 1 A 86 86 ILE CB C 86 38.603 37.565 1.038 1
1 983 . 20 1 1 A 86 86 ILE N N 86 119.762 122.065 -2.303 1
1 984 . 20 1 1 A 87 87 LEU H H 87 8.219 7.459 0.760 1
1 985 . 20 1 1 A 87 87 LEU HA H 87 4.340 4.068 0.272 1
1 995 . 20 1 1 A 87 87 LEU C C 87 177.616 177.188 0.428 1
1 996 . 20 1 1 A 87 87 LEU CA C 87 55.425 57.777 -2.352 1
1 997 . 20 1 1 A 87 87 LEU CB C 87 42.328 41.876 0.452 1
1 1001 . 20 1 1 A 87 87 LEU N N 87 125.404 120.521 4.883 1
1 1002 . 20 1 1 A 88 88 GLU H H 88 8.321 7.977 0.344 1
1 1003 . 20 1 1 A 88 88 GLU HA H 88 4.287 4.695 -0.408 1
1 1008 . 20 1 1 A 88 88 GLU C C 88 176.636 174.752 1.884 1
1 1009 . 20 1 1 A 88 88 GLU CA C 88 56.872 55.051 1.821 1
1 1010 . 20 1 1 A 88 88 GLU CB C 88 30.186 33.567 -3.381 1
1 1012 . 20 1 1 A 88 88 GLU N N 88 121.673 117.448 4.225 1
1 1013 . 20 1 1 A 89 89 SER H H 89 8.254 9.070 -0.816 1
1 1014 . 20 1 1 A 89 89 SER HA H 89 4.483 5.459 -0.976 1
1 1017 . 20 1 1 A 89 89 SER C C 89 174.693 173.016 1.677 1
1 1018 . 20 1 1 A 89 89 SER CA C 89 58.395 56.550 1.845 1
1 1019 . 20 1 1 A 89 89 SER CB C 89 64.017 65.181 -1.164 1
1 1020 . 20 1 1 A 89 89 SER N N 89 116.276 118.295 -2.019 1
1 1021 . 20 1 1 A 90 90 SER H H 90 8.346 8.772 -0.426 1
1 1022 . 20 1 1 A 90 90 SER HA H 90 4.478 5.086 -0.608 1
1 1024 . 20 1 1 A 90 90 SER C C 90 174.564 174.209 0.355 1
1 1025 . 20 1 1 A 90 90 SER CA C 90 58.525 57.893 0.632 1
1 1026 . 20 1 1 A 90 90 SER CB C 90 64.129 64.374 -0.245 1
1 1027 . 20 1 1 A 90 90 SER N N 90 117.689 121.916 -4.227 1
1 1028 . 20 1 1 A 91 91 GLY H H 91 8.213 8.518 -0.305 1
1 1029 . 20 1 1 A 91 91 GLY HA2 H 91 4.112 4.194 -0.082 1
1 1030 . 20 1 1 A 91 91 GLY HA3 H 91 4.112 4.194 -0.082 1
1 1031 . 20 1 1 A 91 91 GLY C C 91 171.803 174.603 -2.800 1
1 1032 . 20 1 1 A 91 91 GLY CA C 91 44.743 44.176 0.567 1
1 1033 . 20 1 1 A 91 91 GLY N N 91 110.570 113.483 -2.913 1
1 1034 . 20 1 1 A 92 92 PRO HA H 92 4.530 4.510 0.020 1
1 1035 . 20 1 1 A 93 93 SER HA H 93 4.498 4.908 -0.410 1
1 1037 . 20 1 1 A 93 93 SER C C 93 173.981 173.676 0.305 1
1 1038 . 20 1 1 A 93 93 SER CA C 93 57.378 58.619 -1.241 1
1 1039 . 20 1 1 A 93 93 SER CB C 93 58.505 64.174 -5.669 1
1 1040 . 20 1 1 A 94 94 SER H H 94 8.032 8.753 -0.721 1
1 1041 . 20 1 1 A 94 94 SER HA H 94 4.498 4.686 -0.188 1
1 1043 . 20 1 1 A 94 94 SER C C 94 173.955 174.610 -0.655 1
1 1044 . 20 1 1 A 94 94 SER CA C 94 58.436 59.441 -1.005 1
1 1045 . 20 1 1 A 94 94 SER CB C 94 64.017 65.675 -1.658 1
1 1046 . 20 1 1 A 94 94 SER N N 94 116.327 120.004 -3.677 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 82 0.961 1
2 1 1 1 "RMS(OBS, PRED)" CA 83 1.175 1
3 1 1 1 "RMS(OBS, PRED)" CB 81 1.173 1
4 1 1 1 "RMS(OBS, PRED)" H 78 0.637 1
5 1 1 1 "RMS(OBS, PRED)" HA 86 0.290 1
6 1 1 1 "RMS(OBS, PRED)" N 76 2.564 1
7 1 2 1 "RMS(OBS, PRED)" C 82 0.850 1
8 1 2 1 "RMS(OBS, PRED)" CA 83 1.185 1
9 1 2 1 "RMS(OBS, PRED)" CB 81 1.035 1
10 1 2 1 "RMS(OBS, PRED)" H 78 0.611 1
11 1 2 1 "RMS(OBS, PRED)" HA 86 0.284 1
12 1 2 1 "RMS(OBS, PRED)" N 76 2.682 1
13 1 3 1 "RMS(OBS, PRED)" C 82 0.905 1
14 1 3 1 "RMS(OBS, PRED)" CA 83 1.323 1
15 1 3 1 "RMS(OBS, PRED)" CB 81 1.193 1
16 1 3 1 "RMS(OBS, PRED)" H 78 0.611 1
17 1 3 1 "RMS(OBS, PRED)" HA 86 0.291 1
18 1 3 1 "RMS(OBS, PRED)" N 76 2.612 1
19 1 4 1 "RMS(OBS, PRED)" C 82 0.944 1
20 1 4 1 "RMS(OBS, PRED)" CA 83 1.250 1
21 1 4 1 "RMS(OBS, PRED)" CB 81 1.470 1
22 1 4 1 "RMS(OBS, PRED)" H 78 0.646 1
23 1 4 1 "RMS(OBS, PRED)" HA 86 0.304 1
24 1 4 1 "RMS(OBS, PRED)" N 76 2.545 1
25 1 5 1 "RMS(OBS, PRED)" C 82 0.871 1
26 1 5 1 "RMS(OBS, PRED)" CA 83 1.218 1
27 1 5 1 "RMS(OBS, PRED)" CB 81 1.283 1
28 1 5 1 "RMS(OBS, PRED)" H 78 0.652 1
29 1 5 1 "RMS(OBS, PRED)" HA 86 0.310 1
30 1 5 1 "RMS(OBS, PRED)" N 76 2.518 1
31 1 6 1 "RMS(OBS, PRED)" C 82 0.994 1
32 1 6 1 "RMS(OBS, PRED)" CA 83 1.172 1
33 1 6 1 "RMS(OBS, PRED)" CB 81 1.475 1
34 1 6 1 "RMS(OBS, PRED)" H 78 0.648 1
35 1 6 1 "RMS(OBS, PRED)" HA 86 0.319 1
36 1 6 1 "RMS(OBS, PRED)" N 76 2.426 1
37 1 7 1 "RMS(OBS, PRED)" C 82 0.959 1
38 1 7 1 "RMS(OBS, PRED)" CA 83 1.279 1
39 1 7 1 "RMS(OBS, PRED)" CB 81 1.187 1
40 1 7 1 "RMS(OBS, PRED)" H 78 0.615 1
41 1 7 1 "RMS(OBS, PRED)" HA 86 0.316 1
42 1 7 1 "RMS(OBS, PRED)" N 76 2.536 1
43 1 8 1 "RMS(OBS, PRED)" C 82 0.938 1
44 1 8 1 "RMS(OBS, PRED)" CA 83 1.193 1
45 1 8 1 "RMS(OBS, PRED)" CB 81 1.395 1
46 1 8 1 "RMS(OBS, PRED)" H 78 0.645 1
47 1 8 1 "RMS(OBS, PRED)" HA 86 0.302 1
48 1 8 1 "RMS(OBS, PRED)" N 76 2.885 1
49 1 9 1 "RMS(OBS, PRED)" C 82 0.941 1
50 1 9 1 "RMS(OBS, PRED)" CA 83 1.247 1
51 1 9 1 "RMS(OBS, PRED)" CB 81 1.079 1
52 1 9 1 "RMS(OBS, PRED)" H 78 0.609 1
53 1 9 1 "RMS(OBS, PRED)" HA 86 0.279 1
54 1 9 1 "RMS(OBS, PRED)" N 76 2.720 1
55 1 10 1 "RMS(OBS, PRED)" C 82 1.006 1
56 1 10 1 "RMS(OBS, PRED)" CA 83 1.225 1
57 1 10 1 "RMS(OBS, PRED)" CB 81 1.290 1
58 1 10 1 "RMS(OBS, PRED)" H 78 0.615 1
59 1 10 1 "RMS(OBS, PRED)" HA 86 0.256 1
60 1 10 1 "RMS(OBS, PRED)" N 76 2.490 1
61 1 11 1 "RMS(OBS, PRED)" C 82 0.929 1
62 1 11 1 "RMS(OBS, PRED)" CA 83 1.196 1
63 1 11 1 "RMS(OBS, PRED)" CB 81 1.058 1
64 1 11 1 "RMS(OBS, PRED)" H 78 0.628 1
65 1 11 1 "RMS(OBS, PRED)" HA 86 0.314 1
66 1 11 1 "RMS(OBS, PRED)" N 76 2.571 1
67 1 12 1 "RMS(OBS, PRED)" C 82 1.012 1
68 1 12 1 "RMS(OBS, PRED)" CA 83 1.364 1
69 1 12 1 "RMS(OBS, PRED)" CB 81 1.103 1
70 1 12 1 "RMS(OBS, PRED)" H 78 0.627 1
71 1 12 1 "RMS(OBS, PRED)" HA 86 0.283 1
72 1 12 1 "RMS(OBS, PRED)" N 76 2.870 1
73 1 13 1 "RMS(OBS, PRED)" C 82 1.036 1
74 1 13 1 "RMS(OBS, PRED)" CA 83 1.207 1
75 1 13 1 "RMS(OBS, PRED)" CB 81 1.304 1
76 1 13 1 "RMS(OBS, PRED)" H 78 0.642 1
77 1 13 1 "RMS(OBS, PRED)" HA 86 0.316 1
78 1 13 1 "RMS(OBS, PRED)" N 76 2.326 1
79 1 14 1 "RMS(OBS, PRED)" C 82 0.920 1
80 1 14 1 "RMS(OBS, PRED)" CA 83 1.295 1
81 1 14 1 "RMS(OBS, PRED)" CB 81 1.258 1
82 1 14 1 "RMS(OBS, PRED)" H 78 0.643 1
83 1 14 1 "RMS(OBS, PRED)" HA 86 0.325 1
84 1 14 1 "RMS(OBS, PRED)" N 76 2.768 1
85 1 15 1 "RMS(OBS, PRED)" C 82 0.926 1
86 1 15 1 "RMS(OBS, PRED)" CA 83 1.210 1
87 1 15 1 "RMS(OBS, PRED)" CB 81 1.250 1
88 1 15 1 "RMS(OBS, PRED)" H 78 0.650 1
89 1 15 1 "RMS(OBS, PRED)" HA 86 0.300 1
90 1 15 1 "RMS(OBS, PRED)" N 76 2.441 1
91 1 16 1 "RMS(OBS, PRED)" C 82 0.975 1
92 1 16 1 "RMS(OBS, PRED)" CA 83 1.364 1
93 1 16 1 "RMS(OBS, PRED)" CB 81 1.198 1
94 1 16 1 "RMS(OBS, PRED)" H 78 0.630 1
95 1 16 1 "RMS(OBS, PRED)" HA 86 0.293 1
96 1 16 1 "RMS(OBS, PRED)" N 76 2.589 1
97 1 17 1 "RMS(OBS, PRED)" C 82 1.031 1
98 1 17 1 "RMS(OBS, PRED)" CA 83 1.194 1
99 1 17 1 "RMS(OBS, PRED)" CB 81 1.191 1
100 1 17 1 "RMS(OBS, PRED)" H 78 0.636 1
101 1 17 1 "RMS(OBS, PRED)" HA 86 0.320 1
102 1 17 1 "RMS(OBS, PRED)" N 76 2.593 1
103 1 18 1 "RMS(OBS, PRED)" C 82 0.907 1
104 1 18 1 "RMS(OBS, PRED)" CA 83 1.183 1
105 1 18 1 "RMS(OBS, PRED)" CB 81 1.203 1
106 1 18 1 "RMS(OBS, PRED)" H 78 0.612 1
107 1 18 1 "RMS(OBS, PRED)" HA 86 0.277 1
108 1 18 1 "RMS(OBS, PRED)" N 76 2.678 1
109 1 19 1 "RMS(OBS, PRED)" C 82 0.962 1
110 1 19 1 "RMS(OBS, PRED)" CA 83 1.268 1
111 1 19 1 "RMS(OBS, PRED)" CB 81 1.172 1
112 1 19 1 "RMS(OBS, PRED)" H 78 0.627 1
113 1 19 1 "RMS(OBS, PRED)" HA 86 0.294 1
114 1 19 1 "RMS(OBS, PRED)" N 76 2.530 1
115 1 20 1 "RMS(OBS, PRED)" C 82 0.953 1
116 1 20 1 "RMS(OBS, PRED)" CA 83 1.320 1
117 1 20 1 "RMS(OBS, PRED)" CB 81 1.236 1
118 1 20 1 "RMS(OBS, PRED)" H 78 0.639 1
119 1 20 1 "RMS(OBS, PRED)" HA 86 0.312 1
120 1 20 1 "RMS(OBS, PRED)" N 76 2.706 1
stop_
save_
save_delta_chem_shifts_average
_Entity_delta_chem_shifts.Sf_category delta_chem_shifts
_Entity_delta_chem_shifts.Sf_framecode delta_chem_shifts_average
_Entity_delta_chem_shifts.Conformer_type "average"
_Entity_delta_chem_shifts.ID 2
_Entity_delta_chem_shifts.Details
;
This saveframe contains the averaged SPARTA chemical shift over all the models used.
;
loop_
_Delta_CS.Assigned_chem_shift_list_ID
_Delta_CS.Atom_chem_shift_ID
_Delta_CS.Assembly_atom_ID
_Delta_CS.Entity_assembly_ID
_Delta_CS.Entity_ID
_Delta_CS.PDB_asym_ID
_Delta_CS.Comp_index_ID
_Delta_CS.Seq_ID
_Delta_CS.Comp_ID
_Delta_CS.Atom_ID
_Delta_CS.Atom_type
_Delta_CS.Auth_seq_ID
_Delta_CS.Original_CS_value
_Delta_CS.Sparta_CS_value
_Delta_CS.Delta_CS_value
_Delta_CS.Entity_delta_chem_shifts_ID
1 1 . 1 1 A 11 11 ARG HA H 11 4.442 4.543 -0.101 2
1 6 . 1 1 A 11 11 ARG C C 11 175.365 175.461 -0.096 2
1 7 . 1 1 A 11 11 ARG CA C 11 55.738 56.382 -0.644 2
1 8 . 1 1 A 11 11 ARG CB C 11 31.419 31.335 0.084 2
1 11 . 1 1 A 12 12 PHE H H 12 8.430 8.372 0.058 2
1 12 . 1 1 A 12 12 PHE HA H 12 4.481 4.786 -0.305 2
1 20 . 1 1 A 12 12 PHE C C 12 174.869 174.019 0.850 2
1 21 . 1 1 A 12 12 PHE CA C 12 58.525 57.386 1.139 2
1 22 . 1 1 A 12 12 PHE CB C 12 39.955 41.284 -1.329 2
1 28 . 1 1 A 12 12 PHE N N 12 123.637 120.911 2.726 2
1 29 . 1 1 A 13 13 THR H H 13 7.543 7.867 -0.324 2
1 30 . 1 1 A 13 13 THR HA H 13 4.216 4.542 -0.326 2
1 35 . 1 1 A 13 13 THR C C 13 172.757 172.690 0.067 2
1 36 . 1 1 A 13 13 THR CA C 13 60.703 60.889 -0.186 2
1 37 . 1 1 A 13 13 THR CB C 13 70.578 70.970 -0.392 2
1 39 . 1 1 A 13 13 THR N N 13 122.237 118.498 3.739 2
1 40 . 1 1 A 14 14 TRP H H 14 8.427 8.738 -0.311 2
1 41 . 1 1 A 14 14 TRP HA H 14 4.195 5.065 -0.870 2
1 50 . 1 1 A 14 14 TRP C C 14 177.225 175.863 1.362 2
1 51 . 1 1 A 14 14 TRP CA C 14 57.137 55.550 1.587 2
1 52 . 1 1 A 14 14 TRP CB C 14 29.919 31.434 -1.515 2
1 58 . 1 1 A 14 14 TRP N N 14 125.363 125.671 -0.308 2
1 60 . 1 1 A 15 15 ARG H H 15 8.790 9.039 -0.249 2
1 61 . 1 1 A 15 15 ARG HA H 15 4.436 4.451 -0.015 2
1 67 . 1 1 A 15 15 ARG C C 15 176.254 177.846 -1.592 2
1 68 . 1 1 A 15 15 ARG CA C 15 54.848 55.813 -0.965 2
1 69 . 1 1 A 15 15 ARG CB C 15 30.217 31.415 -1.198 2
1 72 . 1 1 A 15 15 ARG N N 15 124.453 123.715 0.738 2
1 73 . 1 1 A 16 16 LYS H H 16 7.990 8.896 -0.906 2
1 74 . 1 1 A 16 16 LYS HA H 16 3.949 3.971 -0.022 2
1 81 . 1 1 A 16 16 LYS C C 16 179.133 178.418 0.715 2
1 82 . 1 1 A 16 16 LYS CA C 16 60.206 59.550 0.656 2
1 83 . 1 1 A 16 16 LYS CB C 16 32.102 32.112 -0.010 2
1 87 . 1 1 A 16 16 LYS N N 16 120.654 123.414 -2.760 2
1 88 . 1 1 A 17 17 GLU H H 17 10.775 8.253 2.522 2
1 89 . 1 1 A 17 17 GLU HA H 17 4.126 4.029 0.098 2
1 94 . 1 1 A 17 17 GLU C C 17 179.581 179.140 0.441 2
1 95 . 1 1 A 17 17 GLU CA C 17 60.262 59.380 0.882 2
1 96 . 1 1 A 17 17 GLU CB C 17 28.944 29.726 -0.782 2
1 98 . 1 1 A 17 17 GLU N N 17 119.914 119.676 0.238 2
1 99 . 1 1 A 18 18 CYS H H 18 7.314 8.329 -1.015 2
1 100 . 1 1 A 18 18 CYS HA H 18 4.166 4.271 -0.105 2
1 103 . 1 1 A 18 18 CYS C C 18 176.250 177.455 -1.205 2
1 104 . 1 1 A 18 18 CYS CA C 18 61.093 63.072 -1.979 2
1 105 . 1 1 A 18 18 CYS CB C 18 27.636 27.008 0.628 2
1 106 . 1 1 A 18 18 CYS N N 18 115.339 118.970 -3.631 2
1 107 . 1 1 A 19 19 LEU H H 19 7.975 8.301 -0.326 2
1 108 . 1 1 A 19 19 LEU HA H 19 3.365 3.569 -0.204 2
1 118 . 1 1 A 19 19 LEU C C 19 178.119 178.879 -0.760 2
1 119 . 1 1 A 19 19 LEU CA C 19 58.084 57.657 0.427 2
1 120 . 1 1 A 19 19 LEU CB C 19 40.713 40.976 -0.263 2
1 124 . 1 1 A 19 19 LEU N N 19 120.346 122.985 -2.639 2
1 125 . 1 1 A 20 20 ALA H H 20 7.481 7.846 -0.365 2
1 126 . 1 1 A 20 20 ALA HA H 20 4.079 3.983 0.096 2
1 130 . 1 1 A 20 20 ALA C C 20 180.800 180.374 0.426 2
1 131 . 1 1 A 20 20 ALA CA C 20 55.172 55.164 0.008 2
1 132 . 1 1 A 20 20 ALA CB C 20 17.975 18.128 -0.153 2
1 133 . 1 1 A 20 20 ALA N N 20 119.101 122.113 -3.012 2
1 134 . 1 1 A 21 21 VAL H H 21 6.932 7.370 -0.438 2
1 135 . 1 1 A 21 21 VAL HA H 21 3.752 3.492 0.260 2
1 143 . 1 1 A 21 21 VAL C C 21 178.850 178.089 0.761 2
1 144 . 1 1 A 21 21 VAL CA C 21 66.018 67.239 -1.221 2
1 145 . 1 1 A 21 21 VAL CB C 21 32.168 31.508 0.660 2
1 148 . 1 1 A 21 21 VAL N N 21 118.965 117.923 1.042 2
1 149 . 1 1 A 22 22 MET H H 22 7.925 7.667 0.258 2
1 150 . 1 1 A 22 22 MET HA H 22 3.894 4.116 -0.222 2
1 158 . 1 1 A 22 22 MET C C 22 177.997 178.640 -0.643 2
1 159 . 1 1 A 22 22 MET CA C 22 60.060 58.792 1.268 2
1 160 . 1 1 A 22 22 MET CB C 22 30.494 32.038 -1.544 2
1 163 . 1 1 A 22 22 MET N N 22 118.668 117.102 1.566 2
1 164 . 1 1 A 23 23 GLU H H 23 8.452 7.666 0.786 2
1 165 . 1 1 A 23 23 GLU HA H 23 4.048 4.081 -0.033 2
1 170 . 1 1 A 23 23 GLU C C 23 178.809 179.072 -0.263 2
1 171 . 1 1 A 23 23 GLU CA C 23 59.676 59.211 0.465 2
1 172 . 1 1 A 23 23 GLU CB C 23 29.289 29.266 0.023 2
1 174 . 1 1 A 23 23 GLU N N 23 118.239 119.262 -1.023 2
1 175 . 1 1 A 24 24 SER H H 24 7.431 7.513 -0.082 2
1 176 . 1 1 A 24 24 SER HA H 24 4.279 4.256 0.023 2
1 179 . 1 1 A 24 24 SER C C 24 177.916 177.189 0.727 2
1 180 . 1 1 A 24 24 SER CA C 24 61.785 61.600 0.185 2
1 181 . 1 1 A 24 24 SER CB C 24 62.616 63.099 -0.483 2
1 182 . 1 1 A 24 24 SER N N 24 113.792 115.957 -2.165 2
1 183 . 1 1 A 25 25 TYR H H 25 7.845 8.199 -0.354 2
1 184 . 1 1 A 25 25 TYR HA H 25 4.354 4.343 0.011 2
1 191 . 1 1 A 25 25 TYR C C 25 178.789 178.952 -0.163 2
1 192 . 1 1 A 25 25 TYR CA C 25 63.193 60.806 2.387 2
1 193 . 1 1 A 25 25 TYR CB C 25 38.706 38.024 0.682 2
1 198 . 1 1 A 25 25 TYR N N 25 120.184 119.303 0.881 2
1 199 . 1 1 A 26 26 PHE H H 26 9.279 8.329 0.950 2
1 200 . 1 1 A 26 26 PHE HA H 26 4.237 4.750 -0.513 2
1 208 . 1 1 A 26 26 PHE C C 26 175.885 178.001 -2.116 2
1 209 . 1 1 A 26 26 PHE CA C 26 62.008 61.514 0.494 2
1 210 . 1 1 A 26 26 PHE CB C 26 39.072 39.037 0.035 2
1 216 . 1 1 A 26 26 PHE N N 26 123.634 120.615 3.019 2
1 217 . 1 1 A 27 27 ASN H H 27 7.807 8.140 -0.333 2
1 218 . 1 1 A 27 27 ASN HA H 27 4.409 4.495 -0.086 2
1 223 . 1 1 A 27 27 ASN C C 27 176.108 177.424 -1.316 2
1 224 . 1 1 A 27 27 ASN CA C 27 55.307 56.426 -1.119 2
1 225 . 1 1 A 27 27 ASN CB C 27 38.810 37.972 0.838 2
1 226 . 1 1 A 27 27 ASN N N 27 112.896 117.406 -4.510 2
1 228 . 1 1 A 28 28 GLU H H 28 7.431 8.003 -0.572 2
1 229 . 1 1 A 28 28 GLU HA H 28 4.274 4.277 -0.003 2
1 234 . 1 1 A 28 28 GLU C C 28 176.880 176.430 0.449 2
1 235 . 1 1 A 28 28 GLU CA C 28 57.875 58.020 -0.145 2
1 236 . 1 1 A 28 28 GLU CB C 28 30.965 29.595 1.370 2
1 238 . 1 1 A 28 28 GLU N N 28 117.899 114.741 3.158 2
1 239 . 1 1 A 29 29 ASN H H 29 7.950 8.073 -0.123 2
1 240 . 1 1 A 29 29 ASN HA H 29 4.562 4.973 -0.411 2
1 245 . 1 1 A 29 29 ASN C C 29 174.036 174.918 -0.882 2
1 246 . 1 1 A 29 29 ASN CA C 29 53.654 52.907 0.747 2
1 247 . 1 1 A 29 29 ASN CB C 29 39.361 40.746 -1.385 2
1 248 . 1 1 A 29 29 ASN N N 29 116.656 117.329 -0.673 2
1 250 . 1 1 A 30 30 GLN H H 30 8.658 8.364 0.294 2
1 251 . 1 1 A 30 30 GLN HA H 30 3.848 3.223 0.625 2
1 258 . 1 1 A 30 30 GLN C C 30 174.503 175.467 -0.964 2
1 259 . 1 1 A 30 30 GLN CA C 30 57.336 58.096 -0.761 2
1 260 . 1 1 A 30 30 GLN CB C 30 27.978 29.043 -1.065 2
1 262 . 1 1 A 30 30 GLN N N 30 122.486 123.255 -0.769 2
1 264 . 1 1 A 31 31 TYR H H 31 8.181 7.891 0.290 2
1 265 . 1 1 A 31 31 TYR HA H 31 4.769 5.131 -0.362 2
1 272 . 1 1 A 31 31 TYR C C 31 172.816 173.214 -0.398 2
1 273 . 1 1 A 31 31 TYR CA C 31 55.409 54.187 1.222 2
1 274 . 1 1 A 31 31 TYR CB C 31 38.938 38.847 0.091 2
1 279 . 1 1 A 31 31 TYR N N 31 116.012 117.404 -1.392 2
1 280 . 1 1 A 32 32 PRO HA H 32 4.320 4.578 -0.258 2
1 287 . 1 1 A 32 32 PRO C C 32 177.530 176.905 0.625 2
1 288 . 1 1 A 32 32 PRO CA C 32 63.041 62.732 0.309 2
1 289 . 1 1 A 32 32 PRO CB C 32 31.052 31.896 -0.845 2
1 292 . 1 1 A 33 33 ASP H H 33 8.439 8.463 -0.024 2
1 293 . 1 1 A 33 33 ASP HA H 33 4.475 4.673 -0.198 2
1 296 . 1 1 A 33 33 ASP C C 33 175.397 177.366 -1.969 2
1 297 . 1 1 A 33 33 ASP CA C 33 52.562 54.088 -1.526 2
1 298 . 1 1 A 33 33 ASP CB C 33 40.363 41.902 -1.539 2
1 299 . 1 1 A 33 33 ASP N N 33 125.278 121.939 3.339 2
1 300 . 1 1 A 34 34 GLU H H 34 8.644 8.942 -0.298 2
1 301 . 1 1 A 34 34 GLU HA H 34 3.613 3.891 -0.278 2
1 306 . 1 1 A 34 34 GLU C C 34 178.261 178.384 -0.123 2
1 307 . 1 1 A 34 34 GLU CA C 34 61.565 59.340 2.225 2
1 308 . 1 1 A 34 34 GLU CB C 34 29.289 29.329 -0.040 2
1 310 . 1 1 A 34 34 GLU N N 34 118.756 121.681 -2.925 2
1 311 . 1 1 A 35 35 ALA H H 35 8.121 8.145 -0.024 2
1 312 . 1 1 A 35 35 ALA HA H 35 4.155 4.070 0.085 2
1 316 . 1 1 A 35 35 ALA C C 35 181.307 179.570 1.737 2
1 317 . 1 1 A 35 35 ALA CA C 35 54.953 55.174 -0.221 2
1 318 . 1 1 A 35 35 ALA CB C 35 17.975 18.294 -0.319 2
1 319 . 1 1 A 35 35 ALA N N 35 121.196 121.864 -0.668 2
1 320 . 1 1 A 36 36 LYS H H 36 8.448 7.863 0.585 2
1 321 . 1 1 A 36 36 LYS HA H 36 4.157 4.021 0.136 2
1 330 . 1 1 A 36 36 LYS C C 36 178.769 178.589 0.181 2
1 331 . 1 1 A 36 36 LYS CA C 36 56.576 59.660 -3.084 2
1 332 . 1 1 A 36 36 LYS CB C 36 29.689 32.251 -2.562 2
1 336 . 1 1 A 36 36 LYS N N 36 121.690 118.440 3.250 2
1 337 . 1 1 A 37 37 ARG H H 37 8.977 8.078 0.899 2
1 338 . 1 1 A 37 37 ARG HA H 37 3.711 3.902 -0.191 2
1 345 . 1 1 A 37 37 ARG C C 37 178.444 178.947 -0.503 2
1 346 . 1 1 A 37 37 ARG CA C 37 61.131 59.454 1.677 2
1 347 . 1 1 A 37 37 ARG CB C 37 30.941 29.842 1.099 2
1 350 . 1 1 A 37 37 ARG N N 37 117.588 118.768 -1.180 2
1 351 . 1 1 A 38 38 GLU H H 38 7.750 7.912 -0.162 2
1 352 . 1 1 A 38 38 GLU HA H 38 4.083 4.137 -0.054 2
1 357 . 1 1 A 38 38 GLU C C 38 178.301 179.474 -1.173 2
1 358 . 1 1 A 38 38 GLU CA C 38 59.321 58.312 1.009 2
1 359 . 1 1 A 38 38 GLU CB C 38 29.013 29.480 -0.467 2
1 361 . 1 1 A 38 38 GLU N N 38 119.080 119.646 -0.566 2
1 362 . 1 1 A 39 39 GLU H H 39 7.540 7.862 -0.322 2
1 363 . 1 1 A 39 39 GLU HA H 39 4.048 4.088 -0.040 2
1 368 . 1 1 A 39 39 GLU C C 39 179.784 178.751 1.033 2
1 369 . 1 1 A 39 39 GLU CA C 39 59.646 59.092 0.554 2
1 370 . 1 1 A 39 39 GLU CB C 39 29.409 29.704 -0.295 2
1 372 . 1 1 A 39 39 GLU N N 39 121.188 119.540 1.648 2
1 373 . 1 1 A 40 40 ILE H H 40 8.634 7.837 0.797 2
1 374 . 1 1 A 40 40 ILE HA H 40 3.133 3.389 -0.256 2
1 384 . 1 1 A 40 40 ILE C C 40 178.119 177.641 0.478 2
1 385 . 1 1 A 40 40 ILE CA C 40 65.462 62.947 2.515 2
1 386 . 1 1 A 40 40 ILE CB C 40 37.951 36.680 1.271 2
1 390 . 1 1 A 40 40 ILE N N 40 121.126 120.093 1.034 2
1 391 . 1 1 A 41 41 ALA H H 41 8.462 8.110 0.352 2
1 392 . 1 1 A 41 41 ALA HA H 41 3.713 3.998 -0.285 2
1 396 . 1 1 A 41 41 ALA C C 41 178.850 180.157 -1.307 2
1 397 . 1 1 A 41 41 ALA CA C 41 56.014 55.441 0.574 2
1 398 . 1 1 A 41 41 ALA CB C 41 16.779 17.919 -1.140 2
1 399 . 1 1 A 41 41 ALA N N 41 123.029 123.689 -0.660 2
1 400 . 1 1 A 42 42 ASN H H 42 8.264 8.613 -0.349 2
1 401 . 1 1 A 42 42 ASN HA H 42 4.521 4.447 0.074 2
1 406 . 1 1 A 42 42 ASN C C 42 178.220 177.581 0.639 2
1 407 . 1 1 A 42 42 ASN CA C 42 56.193 55.794 0.400 2
1 408 . 1 1 A 42 42 ASN CB C 42 37.775 37.777 -0.002 2
1 409 . 1 1 A 42 42 ASN N N 42 115.462 117.913 -2.451 2
1 411 . 1 1 A 43 43 ALA H H 43 8.403 7.649 0.754 2
1 412 . 1 1 A 43 43 ALA HA H 43 4.273 4.103 0.170 2
1 416 . 1 1 A 43 43 ALA C C 43 180.962 180.086 0.876 2
1 417 . 1 1 A 43 43 ALA CA C 43 55.200 55.068 0.132 2
1 418 . 1 1 A 43 43 ALA CB C 43 18.478 17.995 0.483 2
1 419 . 1 1 A 43 43 ALA N N 43 125.139 122.316 2.823 2
1 420 . 1 1 A 44 44 CYS H H 44 8.457 7.733 0.724 2
1 421 . 1 1 A 44 44 CYS HA H 44 4.156 4.132 0.024 2
1 424 . 1 1 A 44 44 CYS C C 44 176.534 177.169 -0.635 2
1 425 . 1 1 A 44 44 CYS CA C 44 64.768 63.643 1.125 2
1 426 . 1 1 A 44 44 CYS CB C 44 27.644 26.992 0.652 2
1 427 . 1 1 A 44 44 CYS N N 44 116.609 116.174 0.435 2
1 428 . 1 1 A 45 45 ASN H H 45 8.346 7.873 0.473 2
1 429 . 1 1 A 45 45 ASN HA H 45 4.613 4.512 0.101 2
1 434 . 1 1 A 45 45 ASN C C 45 177.631 177.718 -0.087 2
1 435 . 1 1 A 45 45 ASN CA C 45 55.723 56.113 -0.390 2
1 436 . 1 1 A 45 45 ASN CB C 45 37.526 37.986 -0.460 2
1 437 . 1 1 A 45 45 ASN N N 45 117.491 118.536 -1.045 2
1 439 . 1 1 A 46 46 ALA H H 46 8.014 7.646 0.368 2
1 440 . 1 1 A 46 46 ALA HA H 46 4.200 4.071 0.129 2
1 444 . 1 1 A 46 46 ALA C C 46 180.292 179.663 0.629 2
1 445 . 1 1 A 46 46 ALA CA C 46 54.805 55.093 -0.289 2
1 446 . 1 1 A 46 46 ALA CB C 46 18.283 18.343 -0.060 2
1 447 . 1 1 A 46 46 ALA N N 46 120.198 123.457 -3.259 2
1 448 . 1 1 A 47 47 VAL H H 47 7.240 8.031 -0.791 2
1 449 . 1 1 A 47 47 VAL HA H 47 4.306 3.808 0.498 2
1 457 . 1 1 A 47 47 VAL C C 47 177.083 177.291 -0.208 2
1 458 . 1 1 A 47 47 VAL CA C 47 63.484 65.391 -1.907 2
1 459 . 1 1 A 47 47 VAL CB C 47 31.935 31.516 0.419 2
1 462 . 1 1 A 47 47 VAL N N 47 110.165 116.429 -6.264 2
1 463 . 1 1 A 48 48 ILE H H 48 7.146 7.314 -0.168 2
1 464 . 1 1 A 48 48 ILE HA H 48 4.473 4.315 0.158 2
1 474 . 1 1 A 48 48 ILE C C 48 175.966 176.035 -0.068 2
1 475 . 1 1 A 48 48 ILE CA C 48 62.055 62.742 -0.687 2
1 476 . 1 1 A 48 48 ILE CB C 48 39.444 38.480 0.964 2
1 480 . 1 1 A 48 48 ILE N N 48 112.085 116.684 -4.599 2
1 481 . 1 1 A 49 49 GLN H H 49 7.671 8.070 -0.399 2
1 482 . 1 1 A 49 49 GLN HA H 49 4.254 4.119 0.135 2
1 489 . 1 1 A 49 49 GLN C C 49 175.417 175.458 -0.041 2
1 490 . 1 1 A 49 49 GLN CA C 49 56.370 56.344 0.025 2
1 491 . 1 1 A 49 49 GLN CB C 49 29.289 29.093 0.196 2
1 493 . 1 1 A 49 49 GLN N N 49 123.076 123.374 -0.297 2
1 495 . 1 1 A 50 50 LYS H H 50 8.932 8.571 0.361 2
1 496 . 1 1 A 50 50 LYS HA H 50 4.760 4.744 0.016 2
1 502 . 1 1 A 50 50 LYS C C 50 174.497 174.156 0.341 2
1 503 . 1 1 A 50 50 LYS CA C 50 53.341 53.213 0.128 2
1 504 . 1 1 A 50 50 LYS CB C 50 32.860 33.118 -0.258 2
1 506 . 1 1 A 50 50 LYS N N 50 127.505 126.604 0.901 2
1 507 . 1 1 A 51 51 PRO HA H 51 4.328 4.300 0.028 2
1 514 . 1 1 A 51 51 PRO CA C 51 64.015 63.734 0.281 2
1 515 . 1 1 A 51 51 PRO CB C 51 31.590 31.272 0.318 2
1 518 . 1 1 A 52 52 GLY H H 52 8.752 8.774 -0.022 2
1 519 . 1 1 A 52 52 GLY HA2 H 52 4.113 3.966 0.147 2
1 520 . 1 1 A 52 52 GLY HA3 H 52 3.728 3.966 -0.238 2
1 521 . 1 1 A 52 52 GLY C C 52 173.732 173.494 0.238 2
1 522 . 1 1 A 52 52 GLY CA C 52 45.646 45.677 -0.031 2
1 523 . 1 1 A 53 53 LYS H H 53 7.734 7.474 0.260 2
1 524 . 1 1 A 53 53 LYS HA H 53 4.621 4.795 -0.174 2
1 531 . 1 1 A 53 53 LYS C C 53 175.681 174.643 1.038 2
1 532 . 1 1 A 53 53 LYS CA C 53 54.451 54.408 0.043 2
1 533 . 1 1 A 53 53 LYS CB C 53 34.466 35.518 -1.052 2
1 537 . 1 1 A 53 53 LYS N N 53 120.205 120.547 -0.342 2
1 538 . 1 1 A 54 54 LYS H H 54 8.536 8.699 -0.163 2
1 539 . 1 1 A 54 54 LYS HA H 54 4.412 4.894 -0.482 2
1 546 . 1 1 A 54 54 LYS C C 54 177.022 176.151 0.870 2
1 547 . 1 1 A 54 54 LYS CA C 54 55.691 54.816 0.875 2
1 548 . 1 1 A 54 54 LYS CB C 54 33.453 34.815 -1.362 2
1 552 . 1 1 A 54 54 LYS N N 54 124.424 124.755 -0.331 2
1 553 . 1 1 A 55 55 LEU H H 55 8.656 8.658 -0.002 2
1 554 . 1 1 A 55 55 LEU HA H 55 4.407 4.354 0.053 2
1 564 . 1 1 A 55 55 LEU C C 55 177.448 176.546 0.902 2
1 565 . 1 1 A 55 55 LEU CA C 55 54.670 54.934 -0.264 2
1 566 . 1 1 A 55 55 LEU CB C 55 43.243 42.368 0.875 2
1 570 . 1 1 A 55 55 LEU N N 55 126.145 126.504 -0.359 2
1 571 . 1 1 A 56 56 SER H H 56 9.313 8.725 0.588 2
1 572 . 1 1 A 56 56 SER HA H 56 4.496 4.774 -0.278 2
1 575 . 1 1 A 56 56 SER C C 56 175.226 174.973 0.253 2
1 576 . 1 1 A 56 56 SER CA C 56 57.507 56.954 0.553 2
1 577 . 1 1 A 56 56 SER CB C 56 64.802 65.522 -0.720 2
1 578 . 1 1 A 56 56 SER N N 56 121.790 117.555 4.235 2
1 579 . 1 1 A 57 57 ASP H H 57 8.929 9.095 -0.166 2
1 580 . 1 1 A 57 57 ASP HA H 57 4.314 4.299 0.015 2
1 583 . 1 1 A 57 57 ASP C C 57 177.855 178.287 -0.432 2
1 584 . 1 1 A 57 57 ASP CA C 57 57.403 56.917 0.486 2
1 585 . 1 1 A 57 57 ASP CB C 57 40.353 40.214 0.139 2
1 586 . 1 1 A 58 58 LEU H H 58 7.824 7.971 -0.147 2
1 587 . 1 1 A 58 58 LEU HA H 58 4.194 4.085 0.109 2
1 597 . 1 1 A 58 58 LEU C C 58 177.509 178.315 -0.806 2
1 598 . 1 1 A 58 58 LEU CA C 58 56.754 57.661 -0.907 2
1 599 . 1 1 A 58 58 LEU CB C 58 42.259 41.420 0.839 2
1 603 . 1 1 A 58 58 LEU N N 58 117.552 119.806 -2.254 2
1 604 . 1 1 A 59 59 GLU H H 59 7.325 7.521 -0.196 2
1 605 . 1 1 A 59 59 GLU HA H 59 4.286 4.391 -0.105 2
1 610 . 1 1 A 59 59 GLU C C 59 175.661 176.529 -0.868 2
1 611 . 1 1 A 59 59 GLU CA C 59 56.370 56.251 0.119 2
1 612 . 1 1 A 59 59 GLU CB C 59 32.314 30.532 1.782 2
1 614 . 1 1 A 59 59 GLU N N 59 115.631 116.344 -0.713 2
1 615 . 1 1 A 60 60 ARG H H 60 7.408 7.897 -0.489 2
1 616 . 1 1 A 60 60 ARG HA H 60 3.948 4.568 -0.620 2
1 623 . 1 1 A 60 60 ARG C C 60 175.194 175.329 -0.135 2
1 624 . 1 1 A 60 60 ARG CA C 60 57.167 56.525 0.642 2
1 625 . 1 1 A 60 60 ARG CB C 60 31.083 30.653 0.430 2
1 628 . 1 1 A 60 60 ARG N N 60 118.018 122.633 -4.615 2
1 629 . 1 1 A 61 61 VAL H H 61 10.175 9.113 1.062 2
1 630 . 1 1 A 61 61 VAL HA H 61 3.462 4.371 -0.909 2
1 638 . 1 1 A 61 61 VAL C C 61 175.681 176.186 -0.505 2
1 639 . 1 1 A 61 61 VAL CA C 61 65.077 62.133 2.944 2
1 640 . 1 1 A 61 61 VAL CB C 61 31.702 31.927 -0.225 2
1 643 . 1 1 A 61 61 VAL N N 61 128.658 127.425 1.233 2
1 644 . 1 1 A 62 62 THR H H 62 6.270 8.616 -2.346 2
1 645 . 1 1 A 62 62 THR HA H 62 4.780 4.761 0.019 2
1 650 . 1 1 A 62 62 THR C C 62 175.064 176.200 -1.136 2
1 651 . 1 1 A 62 62 THR CA C 62 58.600 60.260 -1.660 2
1 652 . 1 1 A 62 62 THR CB C 62 72.355 71.547 0.808 2
1 654 . 1 1 A 62 62 THR N N 62 114.178 120.367 -6.189 2
1 655 . 1 1 A 63 63 SER HA H 63 3.869 4.135 -0.266 2
1 658 . 1 1 A 63 63 SER C C 63 176.656 176.706 -0.050 2
1 659 . 1 1 A 63 63 SER CA C 63 61.433 61.896 -0.463 2
1 660 . 1 1 A 63 63 SER CB C 63 62.197 62.460 -0.263 2
1 661 . 1 1 A 64 64 LEU H H 64 8.062 8.039 0.023 2
1 662 . 1 1 A 64 64 LEU HA H 64 4.367 4.166 0.201 2
1 672 . 1 1 A 64 64 LEU C C 64 178.789 179.120 -0.331 2
1 673 . 1 1 A 64 64 LEU CA C 64 57.964 57.782 0.182 2
1 674 . 1 1 A 64 64 LEU CB C 64 42.052 41.767 0.285 2
1 678 . 1 1 A 64 64 LEU N N 64 123.294 125.069 -1.775 2
1 679 . 1 1 A 65 65 LYS H H 65 7.524 7.775 -0.251 2
1 680 . 1 1 A 65 65 LYS HA H 65 4.292 4.082 0.210 2
1 689 . 1 1 A 65 65 LYS C C 65 180.779 179.632 1.147 2
1 690 . 1 1 A 65 65 LYS CA C 65 60.266 59.644 0.622 2
1 691 . 1 1 A 65 65 LYS CB C 65 32.808 32.467 0.341 2
1 695 . 1 1 A 65 65 LYS N N 65 119.262 119.116 0.146 2
1 696 . 1 1 A 66 66 VAL H H 66 8.290 7.759 0.531 2
1 697 . 1 1 A 66 66 VAL HA H 66 4.075 3.870 0.205 2
1 705 . 1 1 A 66 66 VAL C C 66 177.509 177.882 -0.373 2
1 706 . 1 1 A 66 66 VAL CA C 66 66.963 66.569 0.394 2
1 707 . 1 1 A 66 66 VAL CB C 66 32.419 31.613 0.806 2
1 710 . 1 1 A 66 66 VAL N N 66 119.900 120.416 -0.516 2
1 711 . 1 1 A 67 67 TYR H H 67 8.893 8.208 0.685 2
1 712 . 1 1 A 67 67 TYR HA H 67 3.857 4.185 -0.328 2
1 719 . 1 1 A 67 67 TYR C C 67 177.956 178.107 -0.151 2
1 720 . 1 1 A 67 67 TYR CA C 67 62.897 61.623 1.274 2
1 721 . 1 1 A 67 67 TYR CB C 67 38.326 38.606 -0.280 2
1 726 . 1 1 A 67 67 TYR N N 67 120.861 121.179 -0.318 2
1 727 . 1 1 A 68 68 ASN H H 68 8.561 8.101 0.460 2
1 728 . 1 1 A 68 68 ASN HA H 68 4.545 4.477 0.068 2
1 733 . 1 1 A 68 68 ASN C C 68 177.570 178.259 -0.689 2
1 734 . 1 1 A 68 68 ASN CA C 68 56.222 56.604 -0.382 2
1 735 . 1 1 A 68 68 ASN CB C 68 38.465 38.427 0.038 2
1 736 . 1 1 A 68 68 ASN N N 68 117.386 117.259 0.127 2
1 738 . 1 1 A 69 69 TRP H H 69 8.655 8.206 0.449 2
1 739 . 1 1 A 69 69 TRP HA H 69 4.151 4.335 -0.184 2
1 748 . 1 1 A 69 69 TRP C C 69 179.764 178.286 1.478 2
1 749 . 1 1 A 69 69 TRP CA C 69 63.194 61.456 1.738 2
1 750 . 1 1 A 69 69 TRP CB C 69 29.720 29.401 0.319 2
1 756 . 1 1 A 69 69 TRP N N 69 123.454 122.744 0.710 2
1 758 . 1 1 A 70 70 PHE H H 70 9.166 8.566 0.600 2
1 759 . 1 1 A 70 70 PHE HA H 70 3.745 4.453 -0.708 2
1 767 . 1 1 A 70 70 PHE C C 70 177.469 178.421 -0.952 2
1 768 . 1 1 A 70 70 PHE CA C 70 62.862 61.775 1.087 2
1 769 . 1 1 A 70 70 PHE CB C 70 39.115 38.115 1.000 2
1 775 . 1 1 A 70 70 PHE N N 70 120.259 118.329 1.930 2
1 776 . 1 1 A 71 71 ALA H H 71 8.169 8.429 -0.260 2
1 777 . 1 1 A 71 71 ALA HA H 71 3.868 3.974 -0.106 2
1 781 . 1 1 A 71 71 ALA C C 71 180.698 179.783 0.915 2
1 782 . 1 1 A 71 71 ALA CA C 71 55.307 55.076 0.231 2
1 783 . 1 1 A 71 71 ALA CB C 71 17.697 17.987 -0.290 2
1 784 . 1 1 A 71 71 ALA N N 71 120.051 122.499 -2.448 2
1 785 . 1 1 A 72 72 ASN H H 72 7.789 7.764 0.024 2
1 786 . 1 1 A 72 72 ASN HA H 72 4.280 4.328 -0.048 2
1 791 . 1 1 A 72 72 ASN C C 72 177.022 177.631 -0.609 2
1 792 . 1 1 A 72 72 ASN CA C 72 56.222 56.063 0.159 2
1 793 . 1 1 A 72 72 ASN CB C 72 38.363 38.647 -0.284 2
1 794 . 1 1 A 72 72 ASN N N 72 116.515 116.431 0.084 2
1 796 . 1 1 A 73 73 ARG H H 73 7.999 7.508 0.491 2
1 797 . 1 1 A 73 73 ARG HA H 73 3.416 3.678 -0.262 2
1 805 . 1 1 A 73 73 ARG C C 73 178.708 178.726 -0.018 2
1 806 . 1 1 A 73 73 ARG CA C 73 57.403 59.044 -1.641 2
1 807 . 1 1 A 73 73 ARG CB C 73 28.264 29.284 -1.020 2
1 810 . 1 1 A 73 73 ARG N N 73 123.203 119.664 3.539 2
1 812 . 1 1 A 74 74 ARG H H 74 8.033 7.960 0.073 2
1 813 . 1 1 A 74 74 ARG HA H 74 4.017 4.154 -0.137 2
1 820 . 1 1 A 74 74 ARG C C 74 178.850 179.077 -0.226 2
1 821 . 1 1 A 74 74 ARG CA C 74 60.414 59.406 1.008 2
1 822 . 1 1 A 74 74 ARG CB C 74 31.221 29.977 1.244 2
1 825 . 1 1 A 74 74 ARG N N 74 116.187 118.922 -2.735 2
1 826 . 1 1 A 75 75 LYS H H 75 7.359 8.023 -0.664 2
1 827 . 1 1 A 75 75 LYS HA H 75 4.054 4.040 0.014 2
1 834 . 1 1 A 75 75 LYS C C 75 178.301 178.737 -0.436 2
1 835 . 1 1 A 75 75 LYS CA C 75 58.908 59.249 -0.341 2
1 836 . 1 1 A 75 75 LYS CB C 75 32.463 31.893 0.570 2
1 840 . 1 1 A 75 75 LYS N N 75 118.329 118.641 -0.312 2
1 841 . 1 1 A 76 76 GLU H H 76 7.769 7.651 0.118 2
1 842 . 1 1 A 76 76 GLU HA H 76 4.051 4.039 0.012 2
1 847 . 1 1 A 76 76 GLU C C 76 178.261 178.992 -0.731 2
1 848 . 1 1 A 76 76 GLU CA C 76 58.200 58.936 -0.736 2
1 849 . 1 1 A 76 76 GLU CB C 76 29.841 29.411 0.430 2
1 851 . 1 1 A 76 76 GLU N N 76 119.947 118.834 1.113 2
1 852 . 1 1 A 77 77 ILE H H 77 7.826 7.769 0.057 2
1 853 . 1 1 A 77 77 ILE HA H 77 3.856 3.781 0.075 2
1 863 . 1 1 A 77 77 ILE C C 77 177.794 177.780 0.014 2
1 864 . 1 1 A 77 77 ILE CA C 77 63.454 64.154 -0.700 2
1 865 . 1 1 A 77 77 ILE CB C 77 38.016 37.491 0.525 2
1 869 . 1 1 A 77 77 ILE N N 77 119.278 118.614 0.664 2
1 870 . 1 1 A 78 78 LYS H H 78 7.802 8.216 -0.414 2
1 871 . 1 1 A 78 78 LYS HA H 78 4.196 3.988 0.208 2
1 878 . 1 1 A 78 78 LYS C C 78 177.591 178.674 -1.083 2
1 879 . 1 1 A 78 78 LYS CA C 78 57.728 59.115 -1.387 2
1 880 . 1 1 A 78 78 LYS CB C 78 32.601 32.053 0.549 2
1 884 . 1 1 A 78 78 LYS N N 78 122.041 122.008 0.033 2
1 885 . 1 1 A 79 79 ARG H H 79 8.053 8.164 -0.111 2
1 886 . 1 1 A 79 79 ARG HA H 79 4.196 4.021 0.175 2
1 891 . 1 1 A 79 79 ARG C C 79 177.448 178.585 -1.137 2
1 892 . 1 1 A 79 79 ARG CA C 79 57.639 59.322 -1.683 2
1 893 . 1 1 A 79 79 ARG CB C 79 30.531 29.825 0.706 2
1 896 . 1 1 A 79 79 ARG N N 79 120.496 119.377 1.119 2
1 897 . 1 1 A 80 80 ARG H H 80 8.083 7.684 0.399 2
1 898 . 1 1 A 80 80 ARG HA H 80 4.193 4.084 0.109 2
1 904 . 1 1 A 80 80 ARG C C 80 176.786 178.160 -1.374 2
1 905 . 1 1 A 80 80 ARG CA C 80 57.196 58.691 -1.495 2
1 906 . 1 1 A 80 80 ARG CB C 80 30.531 29.800 0.731 2
1 909 . 1 1 A 80 80 ARG N N 80 120.092 119.353 0.739 2
1 910 . 1 1 A 81 81 ALA H H 81 8.062 7.725 0.337 2
1 911 . 1 1 A 81 81 ALA HA H 81 4.256 4.159 0.097 2
1 915 . 1 1 A 81 81 ALA C C 81 178.013 179.038 -1.025 2
1 916 . 1 1 A 81 81 ALA CA C 81 53.141 53.546 -0.405 2
1 917 . 1 1 A 81 81 ALA CB C 81 19.003 18.701 0.302 2
1 918 . 1 1 A 81 81 ALA N N 81 123.434 121.568 1.866 2
1 919 . 1 1 A 82 82 ASN H H 82 8.219 7.733 0.486 2
1 920 . 1 1 A 82 82 ASN HA H 82 4.661 4.693 -0.032 2
1 925 . 1 1 A 82 82 ASN C C 82 175.620 175.769 -0.149 2
1 926 . 1 1 A 82 82 ASN CA C 82 53.686 54.760 -1.074 2
1 927 . 1 1 A 82 82 ASN CB C 82 38.672 39.178 -0.506 2
1 928 . 1 1 A 82 82 ASN N N 82 117.551 116.515 1.036 2
1 930 . 1 1 A 83 83 ILE H H 83 7.949 7.788 0.161 2
1 931 . 1 1 A 83 83 ILE HA H 83 4.077 3.990 0.087 2
1 941 . 1 1 A 83 83 ILE C C 83 176.291 175.536 0.755 2
1 942 . 1 1 A 83 83 ILE CA C 83 61.695 61.920 -0.225 2
1 943 . 1 1 A 83 83 ILE CB C 83 38.672 36.530 2.142 2
1 947 . 1 1 A 83 83 ILE N N 83 120.666 118.405 2.261 2
1 948 . 1 1 A 84 84 ALA H H 84 8.184 7.901 0.283 2
1 949 . 1 1 A 84 84 ALA HA H 84 4.262 4.281 -0.019 2
1 953 . 1 1 A 84 84 ALA C C 84 177.794 176.415 1.379 2
1 954 . 1 1 A 84 84 ALA CA C 84 53.005 52.224 0.781 2
1 955 . 1 1 A 84 84 ALA CB C 84 18.941 18.047 0.894 2
1 956 . 1 1 A 84 84 ALA N N 84 126.306 123.830 2.476 2
1 957 . 1 1 A 85 85 ALA H H 85 8.019 7.788 0.231 2
1 958 . 1 1 A 85 85 ALA HA H 85 4.263 4.445 -0.182 2
1 962 . 1 1 A 85 85 ALA C C 85 178.143 177.527 0.616 2
1 963 . 1 1 A 85 85 ALA CA C 85 52.857 51.708 1.149 2
1 964 . 1 1 A 85 85 ALA CB C 85 19.170 20.172 -1.002 2
1 965 . 1 1 A 85 85 ALA N N 85 122.320 120.739 1.581 2
1 966 . 1 1 A 86 86 ILE H H 86 7.959 8.628 -0.669 2
1 967 . 1 1 A 86 86 ILE HA H 86 4.077 4.068 0.009 2
1 977 . 1 1 A 86 86 ILE C C 86 176.697 176.299 0.397 2
1 978 . 1 1 A 86 86 ILE CA C 86 61.654 62.874 -1.220 2
1 979 . 1 1 A 86 86 ILE CB C 86 38.603 38.002 0.601 2
1 983 . 1 1 A 86 86 ILE N N 86 119.762 122.634 -2.872 2
1 984 . 1 1 A 87 87 LEU H H 87 8.219 7.595 0.624 2
1 985 . 1 1 A 87 87 LEU HA H 87 4.340 4.302 0.038 2
1 995 . 1 1 A 87 87 LEU C C 87 177.616 175.970 1.646 2
1 996 . 1 1 A 87 87 LEU CA C 87 55.425 55.477 -0.052 2
1 997 . 1 1 A 87 87 LEU CB C 87 42.328 42.596 -0.268 2
1 1001 . 1 1 A 87 87 LEU N N 87 125.404 123.769 1.635 2
1 1002 . 1 1 A 88 88 GLU H H 88 8.321 8.418 -0.097 2
1 1003 . 1 1 A 88 88 GLU HA H 88 4.287 4.755 -0.468 2
1 1008 . 1 1 A 88 88 GLU C C 88 176.636 175.317 1.319 2
1 1009 . 1 1 A 88 88 GLU CA C 88 56.872 55.384 1.488 2
1 1010 . 1 1 A 88 88 GLU CB C 88 30.186 31.795 -1.609 2
1 1012 . 1 1 A 88 88 GLU N N 88 121.673 123.553 -1.880 2
1 1013 . 1 1 A 89 89 SER H H 89 8.254 8.764 -0.510 2
1 1014 . 1 1 A 89 89 SER HA H 89 4.483 4.803 -0.320 2
1 1017 . 1 1 A 89 89 SER C C 89 174.693 173.584 1.109 2
1 1018 . 1 1 A 89 89 SER CA C 89 58.395 57.782 0.613 2
1 1019 . 1 1 A 89 89 SER CB C 89 64.017 64.418 -0.401 2
1 1020 . 1 1 A 89 89 SER N N 89 116.276 119.947 -3.671 2
1 1021 . 1 1 A 90 90 SER H H 90 8.346 8.536 -0.190 2
1 1022 . 1 1 A 90 90 SER HA H 90 4.478 4.830 -0.352 2
1 1024 . 1 1 A 90 90 SER C C 90 174.564 173.830 0.734 2
1 1025 . 1 1 A 90 90 SER CA C 90 58.525 57.878 0.647 2
1 1026 . 1 1 A 90 90 SER CB C 90 64.129 64.861 -0.732 2
1 1027 . 1 1 A 90 90 SER N N 90 117.689 119.287 -1.598 2
1 1028 . 1 1 A 91 91 GLY H H 91 8.213 8.476 -0.263 2
1 1029 . 1 1 A 91 91 GLY HA2 H 91 4.112 4.168 -0.056 2
1 1030 . 1 1 A 91 91 GLY HA3 H 91 4.112 4.170 -0.058 2
1 1031 . 1 1 A 91 91 GLY C C 91 171.803 173.265 -1.462 2
1 1032 . 1 1 A 91 91 GLY CA C 91 44.743 44.914 -0.171 2
1 1033 . 1 1 A 91 91 GLY N N 91 110.570 111.855 -1.285 2
1 1034 . 1 1 A 92 92 PRO HA H 92 4.530 4.588 -0.058 2
1 1035 . 1 1 A 93 93 SER HA H 93 4.498 4.647 -0.149 2
1 1037 . 1 1 A 93 93 SER C C 93 173.981 173.772 0.209 2
1 1038 . 1 1 A 93 93 SER CA C 93 57.378 58.294 -0.916 2
1 1039 . 1 1 A 93 93 SER CB C 93 58.505 64.465 -5.960 2
1 1040 . 1 1 A 94 94 SER H H 94 8.032 8.556 -0.524 2
1 1041 . 1 1 A 94 94 SER HA H 94 4.498 4.594 -0.096 2
1 1043 . 1 1 A 94 94 SER C C 94 173.955 174.621 -0.666 2
1 1044 . 1 1 A 94 94 SER CA C 94 58.436 58.650 -0.214 2
1 1045 . 1 1 A 94 94 SER CB C 94 64.017 64.244 -0.227 2
1 1046 . 1 1 A 94 94 SER N N 94 116.327 118.374 -2.047 2
stop_
save_