data_10261_sparta
save_entry_information
_Entry.Sf_category entry_information
_Entry.Sf_framecode entry_information
_Entry.ID 10261
_Entry.PDB_ID 2DJV
_Entry.NMR_STAR_version 3.0.9.100
save_
save_delta_chem_shifts_single
_Entity_delta_chem_shifts.Sf_category delta_chem_shifts
_Entity_delta_chem_shifts.Sf_framecode delta_chem_shifts_single
_Entity_delta_chem_shifts.Conformer_type "single"
_Entity_delta_chem_shifts.Conformer_count 20
_Entity_delta_chem_shifts.Best_conformer 1
_Entity_delta_chem_shifts.ID 1
loop_
_Delta_CS.Assigned_chem_shift_list_ID
_Delta_CS.Atom_chem_shift_ID
_Delta_CS.Assembly_atom_ID
_Delta_CS.Conformer_ID
_Delta_CS.Entity_assembly_ID
_Delta_CS.Entity_ID
_Delta_CS.PDB_asym_ID
_Delta_CS.Comp_index_ID
_Delta_CS.Seq_ID
_Delta_CS.Comp_ID
_Delta_CS.Atom_ID
_Delta_CS.Atom_type
_Delta_CS.Auth_seq_ID
_Delta_CS.Original_CS_value
_Delta_CS.Sparta_CS_value
_Delta_CS.Delta_CS_value
_Delta_CS.Entity_delta_chem_shifts_ID
1 1 . 1 1 1 A 7 7 GLY HA2 H 7 4.042 4.052 -0.010 1
1 2 . 1 1 1 A 7 7 GLY HA3 H 7 4.042 4.052 -0.010 1
1 3 . 1 1 1 A 7 7 GLY C C 7 174.377 173.231 1.146 1
1 4 . 1 1 1 A 7 7 GLY CA C 7 45.425 44.306 1.119 1
1 5 . 1 1 1 A 8 8 THR H H 8 8.131 7.990 0.141 1
1 6 . 1 1 1 A 8 8 THR HA H 8 4.448 5.142 -0.694 1
1 11 . 1 1 1 A 8 8 THR C C 8 174.773 172.706 2.067 1
1 12 . 1 1 1 A 8 8 THR CA C 8 61.787 59.712 2.075 1
1 13 . 1 1 1 A 8 8 THR CB C 8 69.913 71.569 -1.656 1
1 15 . 1 1 1 A 8 8 THR N N 8 113.630 109.799 3.831 1
1 16 . 1 1 1 A 9 9 THR H H 9 8.180 8.842 -0.662 1
1 17 . 1 1 1 A 9 9 THR HA H 9 4.355 5.112 -0.757 1
1 22 . 1 1 1 A 9 9 THR C C 9 174.203 173.003 1.200 1
1 23 . 1 1 1 A 9 9 THR CA C 9 61.892 60.116 1.776 1
1 24 . 1 1 1 A 9 9 THR CB C 9 69.891 71.551 -1.660 1
1 26 . 1 1 1 A 9 9 THR N N 9 116.604 117.807 -1.203 1
1 27 . 1 1 1 A 10 10 ALA H H 10 8.405 8.457 -0.052 1
1 28 . 1 1 1 A 10 10 ALA HA H 10 4.376 4.682 -0.306 1
1 32 . 1 1 1 A 10 10 ALA C C 10 177.430 177.416 0.014 1
1 33 . 1 1 1 A 10 10 ALA CA C 10 52.317 51.118 1.199 1
1 34 . 1 1 1 A 10 10 ALA CB C 10 19.506 22.585 -3.079 1
1 35 . 1 1 1 A 10 10 ALA N N 10 126.934 129.751 -2.817 1
1 36 . 1 1 1 A 11 11 LYS H H 11 8.462 8.617 -0.155 1
1 37 . 1 1 1 A 11 11 LYS HA H 11 4.575 4.013 0.562 1
1 46 . 1 1 1 A 11 11 LYS C C 11 174.921 175.708 -0.787 1
1 47 . 1 1 1 A 11 11 LYS CA C 11 55.122 61.362 -6.240 1
1 48 . 1 1 1 A 11 11 LYS CB C 11 31.910 31.142 0.768 1
1 52 . 1 1 1 A 11 11 LYS N N 11 121.526 119.673 1.853 1
1 53 . 1 1 1 A 12 12 PRO HA H 12 4.363 4.416 -0.053 1
1 60 . 1 1 1 A 12 12 PRO C C 12 178.290 178.474 -0.184 1
1 61 . 1 1 1 A 12 12 PRO CA C 12 64.502 65.035 -0.533 1
1 62 . 1 1 1 A 12 12 PRO CB C 12 31.992 31.423 0.569 1
1 65 . 1 1 1 A 13 13 GLN H H 13 8.665 8.315 0.350 1
1 66 . 1 1 1 A 13 13 GLN HA H 13 4.158 4.124 0.034 1
1 73 . 1 1 1 A 13 13 GLN C C 13 177.727 178.341 -0.614 1
1 74 . 1 1 1 A 13 13 GLN CA C 13 58.366 58.932 -0.566 1
1 75 . 1 1 1 A 13 13 GLN CB C 13 28.584 29.029 -0.445 1
1 77 . 1 1 1 A 13 13 GLN N N 13 119.964 116.963 3.001 1
1 79 . 1 1 1 A 14 14 GLN H H 14 8.376 8.099 0.277 1
1 80 . 1 1 1 A 14 14 GLN HA H 14 4.217 4.094 0.123 1
1 87 . 1 1 1 A 14 14 GLN C C 14 178.304 178.033 0.271 1
1 88 . 1 1 1 A 14 14 GLN CA C 14 58.190 58.265 -0.075 1
1 89 . 1 1 1 A 14 14 GLN CB C 14 28.639 28.689 -0.050 1
1 91 . 1 1 1 A 14 14 GLN N N 14 120.039 117.652 2.387 1
1 93 . 1 1 1 A 15 15 ILE H H 15 7.802 7.696 0.106 1
1 94 . 1 1 1 A 15 15 ILE HA H 15 3.654 3.628 0.026 1
1 104 . 1 1 1 A 15 15 ILE C C 15 177.183 177.945 -0.762 1
1 105 . 1 1 1 A 15 15 ILE CA C 15 64.643 64.810 -0.167 1
1 106 . 1 1 1 A 15 15 ILE CB C 15 37.828 37.878 -0.050 1
1 110 . 1 1 1 A 15 15 ILE N N 15 119.981 121.613 -1.632 1
1 111 . 1 1 1 A 16 16 GLN H H 16 8.159 8.009 0.150 1
1 112 . 1 1 1 A 16 16 GLN HA H 16 3.958 3.924 0.034 1
1 119 . 1 1 1 A 16 16 GLN C C 16 177.647 177.796 -0.149 1
1 120 . 1 1 1 A 16 16 GLN CA C 16 58.648 58.941 -0.293 1
1 121 . 1 1 1 A 16 16 GLN CB C 16 28.531 28.419 0.112 1
1 123 . 1 1 1 A 16 16 GLN N N 16 119.695 119.966 -0.271 1
1 125 . 1 1 1 A 17 17 ALA H H 17 7.946 7.694 0.252 1
1 126 . 1 1 1 A 17 17 ALA HA H 17 4.239 4.010 0.229 1
1 130 . 1 1 1 A 17 17 ALA C C 17 180.910 179.851 1.059 1
1 131 . 1 1 1 A 17 17 ALA CA C 17 55.106 54.915 0.191 1
1 132 . 1 1 1 A 17 17 ALA CB C 17 17.990 18.019 -0.029 1
1 133 . 1 1 1 A 17 17 ALA N N 17 120.227 122.165 -1.938 1
1 134 . 1 1 1 A 18 18 LEU H H 18 7.682 8.198 -0.516 1
1 135 . 1 1 1 A 18 18 LEU HA H 18 4.187 3.871 0.316 1
1 145 . 1 1 1 A 18 18 LEU C C 18 178.977 178.783 0.194 1
1 146 . 1 1 1 A 18 18 LEU CA C 18 57.890 58.058 -0.168 1
1 147 . 1 1 1 A 18 18 LEU CB C 18 43.361 42.132 1.229 1
1 151 . 1 1 1 A 18 18 LEU N N 18 119.764 118.961 0.803 1
1 152 . 1 1 1 A 19 19 MET H H 19 8.699 8.297 0.402 1
1 153 . 1 1 1 A 19 19 MET HA H 19 3.965 4.014 -0.049 1
1 161 . 1 1 1 A 19 19 MET C C 19 179.207 178.295 0.912 1
1 162 . 1 1 1 A 19 19 MET CA C 19 59.794 58.907 0.887 1
1 163 . 1 1 1 A 19 19 MET CB C 19 32.445 32.228 0.217 1
1 166 . 1 1 1 A 19 19 MET N N 19 119.982 116.687 3.295 1
1 167 . 1 1 1 A 20 20 ASP H H 20 8.435 8.336 0.099 1
1 168 . 1 1 1 A 20 20 ASP HA H 20 4.453 4.358 0.095 1
1 171 . 1 1 1 A 20 20 ASP C C 20 179.127 178.524 0.603 1
1 172 . 1 1 1 A 20 20 ASP CA C 20 57.449 57.648 -0.199 1
1 173 . 1 1 1 A 20 20 ASP CB C 20 39.986 42.322 -2.336 1
1 174 . 1 1 1 A 20 20 ASP N N 20 120.434 120.550 -0.116 1
1 175 . 1 1 1 A 21 21 GLU H H 21 8.150 8.164 -0.014 1
1 176 . 1 1 1 A 21 21 GLU HA H 21 4.168 4.075 0.093 1
1 181 . 1 1 1 A 21 21 GLU C C 21 179.405 179.223 0.182 1
1 182 . 1 1 1 A 21 21 GLU CA C 21 59.477 59.305 0.172 1
1 183 . 1 1 1 A 21 21 GLU CB C 21 29.441 29.607 -0.166 1
1 185 . 1 1 1 A 21 21 GLU N N 21 122.159 119.059 3.100 1
1 186 . 1 1 1 A 22 22 VAL H H 22 8.754 7.959 0.795 1
1 187 . 1 1 1 A 22 22 VAL HA H 22 3.484 3.689 -0.205 1
1 195 . 1 1 1 A 22 22 VAL C C 22 179.177 178.636 0.541 1
1 196 . 1 1 1 A 22 22 VAL CA C 22 67.545 66.055 1.490 1
1 197 . 1 1 1 A 22 22 VAL CB C 22 31.712 31.509 0.203 1
1 200 . 1 1 1 A 22 22 VAL N N 22 121.967 120.657 1.310 1
1 201 . 1 1 1 A 23 23 THR H H 23 8.410 7.875 0.535 1
1 202 . 1 1 1 A 23 23 THR HA H 23 3.888 3.998 -0.110 1
1 207 . 1 1 1 A 23 23 THR C C 23 176.515 176.064 0.451 1
1 208 . 1 1 1 A 23 23 THR CA C 23 66.706 67.148 -0.442 1
1 209 . 1 1 1 A 23 23 THR CB C 23 68.646 68.775 -0.129 1
1 211 . 1 1 1 A 23 23 THR N N 23 119.619 116.702 2.917 1
1 212 . 1 1 1 A 24 24 LYS H H 24 8.179 8.170 0.009 1
1 213 . 1 1 1 A 24 24 LYS HA H 24 4.055 3.891 0.164 1
1 219 . 1 1 1 A 24 24 LYS C C 24 179.223 178.650 0.573 1
1 220 . 1 1 1 A 24 24 LYS CA C 24 59.865 59.806 0.059 1
1 221 . 1 1 1 A 24 24 LYS CB C 24 32.733 32.512 0.221 1
1 225 . 1 1 1 A 24 24 LYS N N 24 122.464 121.380 1.084 1
1 226 . 1 1 1 A 25 25 GLN H H 25 8.791 8.420 0.371 1
1 227 . 1 1 1 A 25 25 GLN HA H 25 4.266 4.008 0.258 1
1 234 . 1 1 1 A 25 25 GLN C C 25 178.359 178.721 -0.362 1
1 235 . 1 1 1 A 25 25 GLN CA C 25 57.273 59.377 -2.104 1
1 236 . 1 1 1 A 25 25 GLN CB C 25 26.830 28.706 -1.876 1
1 238 . 1 1 1 A 25 25 GLN N N 25 120.181 118.346 1.835 1
1 240 . 1 1 1 A 26 26 GLY H H 26 8.828 8.142 0.686 1
1 241 . 1 1 1 A 26 26 GLY HA2 H 26 4.099 3.823 0.276 1
1 242 . 1 1 1 A 26 26 GLY HA3 H 26 3.788 3.823 -0.035 1
1 243 . 1 1 1 A 26 26 GLY C C 26 176.618 176.170 0.448 1
1 244 . 1 1 1 A 26 26 GLY CA C 26 47.161 47.347 -0.186 1
1 245 . 1 1 1 A 26 26 GLY N N 26 108.597 107.554 1.043 1
1 246 . 1 1 1 A 27 27 ASN H H 27 7.910 7.557 0.353 1
1 247 . 1 1 1 A 27 27 ASN HA H 27 4.582 4.428 0.154 1
1 252 . 1 1 1 A 27 27 ASN C C 27 177.317 177.915 -0.598 1
1 253 . 1 1 1 A 27 27 ASN CA C 27 56.074 55.750 0.324 1
1 254 . 1 1 1 A 27 27 ASN CB C 27 37.729 38.468 -0.739 1
1 255 . 1 1 1 A 27 27 ASN N N 27 121.818 119.918 1.900 1
1 257 . 1 1 1 A 28 28 ILE H H 28 7.811 8.262 -0.451 1
1 258 . 1 1 1 A 28 28 ILE HA H 28 3.789 3.744 0.045 1
1 268 . 1 1 1 A 28 28 ILE C C 28 178.445 178.698 -0.253 1
1 269 . 1 1 1 A 28 28 ILE CA C 28 65.117 65.260 -0.143 1
1 270 . 1 1 1 A 28 28 ILE CB C 28 37.914 37.736 0.178 1
1 274 . 1 1 1 A 28 28 ILE N N 28 123.083 120.187 2.896 1
1 275 . 1 1 1 A 29 29 VAL H H 29 8.018 8.326 -0.308 1
1 276 . 1 1 1 A 29 29 VAL HA H 29 3.399 3.671 -0.272 1
1 284 . 1 1 1 A 29 29 VAL C C 29 176.953 178.334 -1.381 1
1 285 . 1 1 1 A 29 29 VAL CA C 29 67.541 67.049 0.492 1
1 286 . 1 1 1 A 29 29 VAL CB C 29 32.013 31.497 0.516 1
1 289 . 1 1 1 A 29 29 VAL N N 29 119.117 120.933 -1.816 1
1 290 . 1 1 1 A 30 30 ARG H H 30 7.965 7.962 0.003 1
1 291 . 1 1 1 A 30 30 ARG HA H 30 3.928 3.950 -0.022 1
1 298 . 1 1 1 A 30 30 ARG C C 30 179.609 178.605 1.004 1
1 299 . 1 1 1 A 30 30 ARG CA C 30 60.006 59.908 0.098 1
1 300 . 1 1 1 A 30 30 ARG CB C 30 30.302 29.789 0.513 1
1 303 . 1 1 1 A 30 30 ARG N N 30 118.510 119.877 -1.367 1
1 304 . 1 1 1 A 31 31 GLU H H 31 8.211 8.232 -0.021 1
1 305 . 1 1 1 A 31 31 GLU HA H 31 4.167 4.100 0.067 1
1 310 . 1 1 1 A 31 31 GLU C C 31 178.910 179.099 -0.189 1
1 311 . 1 1 1 A 31 31 GLU CA C 31 59.195 59.178 0.017 1
1 312 . 1 1 1 A 31 31 GLU CB C 31 29.437 28.820 0.617 1
1 314 . 1 1 1 A 31 31 GLU N N 31 120.110 117.694 2.416 1
1 315 . 1 1 1 A 32 32 LEU H H 32 8.287 8.172 0.115 1
1 316 . 1 1 1 A 32 32 LEU HA H 32 4.021 3.887 0.134 1
1 326 . 1 1 1 A 32 32 LEU C C 32 179.931 178.961 0.970 1
1 327 . 1 1 1 A 32 32 LEU CA C 32 57.979 57.675 0.304 1
1 328 . 1 1 1 A 32 32 LEU CB C 32 42.524 41.682 0.842 1
1 332 . 1 1 1 A 32 32 LEU N N 32 120.148 121.111 -0.963 1
1 333 . 1 1 1 A 33 33 LYS H H 33 8.205 7.727 0.478 1
1 334 . 1 1 1 A 33 33 LYS HA H 33 4.048 4.095 -0.047 1
1 343 . 1 1 1 A 33 33 LYS C C 33 180.739 179.629 1.110 1
1 344 . 1 1 1 A 33 33 LYS CA C 33 59.883 59.258 0.625 1
1 345 . 1 1 1 A 33 33 LYS CB C 33 32.569 31.739 0.830 1
1 349 . 1 1 1 A 33 33 LYS N N 33 117.234 117.380 -0.146 1
1 350 . 1 1 1 A 34 34 ALA H H 34 8.101 7.584 0.517 1
1 351 . 1 1 1 A 34 34 ALA HA H 34 4.185 4.136 0.049 1
1 355 . 1 1 1 A 34 34 ALA C C 34 179.304 177.995 1.309 1
1 356 . 1 1 1 A 34 34 ALA CA C 34 54.734 54.062 0.672 1
1 357 . 1 1 1 A 34 34 ALA CB C 34 18.190 18.354 -0.164 1
1 358 . 1 1 1 A 34 34 ALA N N 34 123.540 121.180 2.360 1
1 359 . 1 1 1 A 35 35 GLN H H 35 7.815 7.689 0.126 1
1 360 . 1 1 1 A 35 35 GLN HA H 35 4.299 4.327 -0.028 1
1 367 . 1 1 1 A 35 35 GLN C C 35 175.344 175.231 0.113 1
1 368 . 1 1 1 A 35 35 GLN CA C 35 55.342 54.644 0.698 1
1 369 . 1 1 1 A 35 35 GLN CB C 35 28.819 27.808 1.011 1
1 371 . 1 1 1 A 35 35 GLN N N 35 115.126 114.326 0.800 1
1 373 . 1 1 1 A 36 36 LYS H H 36 7.948 7.678 0.270 1
1 374 . 1 1 1 A 36 36 LYS HA H 36 3.963 3.800 0.163 1
1 382 . 1 1 1 A 36 36 LYS C C 36 175.883 175.834 0.049 1
1 383 . 1 1 1 A 36 36 LYS CA C 36 56.872 57.159 -0.287 1
1 384 . 1 1 1 A 36 36 LYS CB C 36 28.917 29.626 -0.709 1
1 388 . 1 1 1 A 36 36 LYS N N 36 117.310 114.829 2.481 1
1 389 . 1 1 1 A 37 37 ALA H H 37 7.646 7.815 -0.169 1
1 390 . 1 1 1 A 37 37 ALA HA H 37 4.226 4.242 -0.016 1
1 394 . 1 1 1 A 37 37 ALA C C 37 176.094 176.591 -0.497 1
1 395 . 1 1 1 A 37 37 ALA CA C 37 52.143 52.548 -0.405 1
1 396 . 1 1 1 A 37 37 ALA CB C 37 20.742 19.686 1.056 1
1 397 . 1 1 1 A 37 37 ALA N N 37 120.112 119.139 0.973 1
1 398 . 1 1 1 A 38 38 ASP H H 38 8.474 8.552 -0.078 1
1 399 . 1 1 1 A 38 38 ASP HA H 38 4.387 4.432 -0.045 1
1 402 . 1 1 1 A 38 38 ASP C C 38 177.481 177.557 -0.076 1
1 403 . 1 1 1 A 38 38 ASP CA C 38 54.992 54.626 0.366 1
1 404 . 1 1 1 A 38 38 ASP CB C 38 43.156 43.711 -0.555 1
1 405 . 1 1 1 A 38 38 ASP N N 38 119.141 121.550 -2.409 1
1 406 . 1 1 1 A 39 39 LYS H H 39 8.703 8.571 0.132 1
1 407 . 1 1 1 A 39 39 LYS HA H 39 3.967 3.949 0.018 1
1 414 . 1 1 1 A 39 39 LYS C C 39 178.806 178.382 0.424 1
1 415 . 1 1 1 A 39 39 LYS CA C 39 59.547 59.869 -0.322 1
1 416 . 1 1 1 A 39 39 LYS CB C 39 32.222 32.159 0.063 1
1 420 . 1 1 1 A 39 39 LYS N N 39 124.290 126.194 -1.904 1
1 421 . 1 1 1 A 40 40 ASN H H 40 8.873 8.425 0.448 1
1 422 . 1 1 1 A 40 40 ASN HA H 40 4.571 4.500 0.071 1
1 427 . 1 1 1 A 40 40 ASN C C 40 178.014 178.305 -0.291 1
1 428 . 1 1 1 A 40 40 ASN CA C 40 56.091 56.395 -0.304 1
1 429 . 1 1 1 A 40 40 ASN CB C 40 37.900 38.074 -0.174 1
1 430 . 1 1 1 A 40 40 ASN N N 40 119.722 117.887 1.835 1
1 432 . 1 1 1 A 41 41 GLU H H 41 7.881 8.094 -0.213 1
1 433 . 1 1 1 A 41 41 GLU HA H 41 4.192 4.043 0.149 1
1 438 . 1 1 1 A 41 41 GLU C C 41 178.917 179.739 -0.822 1
1 439 . 1 1 1 A 41 41 GLU CA C 41 59.213 59.284 -0.071 1
1 440 . 1 1 1 A 41 41 GLU CB C 41 29.520 29.736 -0.216 1
1 442 . 1 1 1 A 41 41 GLU N N 41 124.025 120.087 3.938 1
1 443 . 1 1 1 A 42 42 VAL H H 42 8.061 8.196 -0.135 1
1 444 . 1 1 1 A 42 42 VAL HA H 42 3.397 3.558 -0.161 1
1 452 . 1 1 1 A 42 42 VAL C C 42 177.701 177.811 -0.110 1
1 453 . 1 1 1 A 42 42 VAL CA C 42 67.341 66.482 0.859 1
1 454 . 1 1 1 A 42 42 VAL CB C 42 32.075 31.727 0.348 1
1 457 . 1 1 1 A 42 42 VAL N N 42 117.921 121.246 -3.325 1
1 458 . 1 1 1 A 43 43 ALA H H 43 8.136 8.379 -0.243 1
1 459 . 1 1 1 A 43 43 ALA HA H 43 4.101 3.933 0.168 1
1 463 . 1 1 1 A 43 43 ALA C C 43 180.808 179.533 1.275 1
1 464 . 1 1 1 A 43 43 ALA CA C 43 55.404 55.601 -0.197 1
1 465 . 1 1 1 A 43 43 ALA CB C 43 17.722 18.640 -0.918 1
1 466 . 1 1 1 A 43 43 ALA N N 43 119.833 121.791 -1.958 1
1 467 . 1 1 1 A 44 44 ALA H H 44 7.664 7.967 -0.303 1
1 468 . 1 1 1 A 44 44 ALA HA H 44 4.234 4.017 0.217 1
1 472 . 1 1 1 A 44 44 ALA C C 44 180.953 180.305 0.648 1
1 473 . 1 1 1 A 44 44 ALA CA C 44 55.122 55.491 -0.369 1
1 474 . 1 1 1 A 44 44 ALA CB C 44 18.229 18.718 -0.489 1
1 475 . 1 1 1 A 44 44 ALA N N 44 121.026 119.392 1.634 1
1 476 . 1 1 1 A 45 45 GLU H H 45 7.837 8.233 -0.396 1
1 477 . 1 1 1 A 45 45 GLU HA H 45 4.447 3.996 0.451 1
1 482 . 1 1 1 A 45 45 GLU C C 45 180.357 179.416 0.941 1
1 483 . 1 1 1 A 45 45 GLU CA C 45 57.467 59.529 -2.062 1
1 484 . 1 1 1 A 45 45 GLU CB C 45 28.255 29.557 -1.302 1
1 486 . 1 1 1 A 45 45 GLU N N 45 118.409 117.866 0.543 1
1 487 . 1 1 1 A 46 46 VAL H H 46 9.024 8.157 0.867 1
1 488 . 1 1 1 A 46 46 VAL HA H 46 3.638 3.560 0.078 1
1 496 . 1 1 1 A 46 46 VAL C C 46 177.712 177.735 -0.023 1
1 497 . 1 1 1 A 46 46 VAL CA C 46 66.961 66.606 0.355 1
1 498 . 1 1 1 A 46 46 VAL CB C 46 31.910 31.583 0.327 1
1 501 . 1 1 1 A 46 46 VAL N N 46 124.975 120.683 4.292 1
1 502 . 1 1 1 A 47 47 ALA H H 47 8.130 8.292 -0.162 1
1 503 . 1 1 1 A 47 47 ALA HA H 47 4.093 4.005 0.088 1
1 507 . 1 1 1 A 47 47 ALA C C 47 180.853 179.216 1.637 1
1 508 . 1 1 1 A 47 47 ALA CA C 47 55.545 55.470 0.075 1
1 509 . 1 1 1 A 47 47 ALA CB C 47 17.683 18.346 -0.663 1
1 510 . 1 1 1 A 47 47 ALA N N 47 122.493 121.564 0.929 1
1 511 . 1 1 1 A 48 48 LYS H H 48 7.442 7.880 -0.438 1
1 512 . 1 1 1 A 48 48 LYS HA H 48 4.183 3.941 0.242 1
1 521 . 1 1 1 A 48 48 LYS C C 48 178.698 178.568 0.130 1
1 522 . 1 1 1 A 48 48 LYS CA C 48 59.389 59.838 -0.449 1
1 523 . 1 1 1 A 48 48 LYS CB C 48 32.610 31.924 0.686 1
1 527 . 1 1 1 A 48 48 LYS N N 48 118.186 118.407 -0.221 1
1 528 . 1 1 1 A 49 49 LEU H H 49 7.822 8.400 -0.578 1
1 529 . 1 1 1 A 49 49 LEU HA H 49 4.012 3.983 0.029 1
1 539 . 1 1 1 A 49 49 LEU C C 49 177.582 178.363 -0.781 1
1 540 . 1 1 1 A 49 49 LEU CA C 49 58.490 58.309 0.181 1
1 541 . 1 1 1 A 49 49 LEU CB C 49 42.119 41.722 0.397 1
1 545 . 1 1 1 A 49 49 LEU N N 49 120.499 120.531 -0.032 1
1 546 . 1 1 1 A 50 50 LEU H H 50 8.565 8.095 0.470 1
1 547 . 1 1 1 A 50 50 LEU HA H 50 3.994 3.962 0.032 1
1 557 . 1 1 1 A 50 50 LEU C C 50 180.128 179.263 0.865 1
1 558 . 1 1 1 A 50 50 LEU CA C 50 58.330 57.603 0.727 1
1 559 . 1 1 1 A 50 50 LEU CB C 50 41.060 41.601 -0.541 1
1 563 . 1 1 1 A 50 50 LEU N N 50 118.622 119.484 -0.862 1
1 564 . 1 1 1 A 51 51 ASP H H 51 7.962 7.712 0.250 1
1 565 . 1 1 1 A 51 51 ASP HA H 51 4.480 4.495 -0.015 1
1 568 . 1 1 1 A 51 51 ASP C C 51 178.808 178.695 0.113 1
1 569 . 1 1 1 A 51 51 ASP CA C 51 57.802 56.923 0.879 1
1 570 . 1 1 1 A 51 51 ASP CB C 51 41.435 40.854 0.581 1
1 571 . 1 1 1 A 51 51 ASP N N 51 120.483 120.685 -0.202 1
1 572 . 1 1 1 A 52 52 LEU H H 52 8.228 8.333 -0.105 1
1 573 . 1 1 1 A 52 52 LEU HA H 52 4.006 3.900 0.106 1
1 583 . 1 1 1 A 52 52 LEU C C 52 179.173 178.886 0.287 1
1 584 . 1 1 1 A 52 52 LEU CA C 52 58.190 57.960 0.230 1
1 585 . 1 1 1 A 52 52 LEU CB C 52 43.222 41.738 1.484 1
1 589 . 1 1 1 A 52 52 LEU N N 52 121.105 120.743 0.362 1
1 590 . 1 1 1 A 53 53 LYS H H 53 8.531 7.992 0.539 1
1 591 . 1 1 1 A 53 53 LYS HA H 53 3.872 3.925 -0.053 1
1 600 . 1 1 1 A 53 53 LYS C C 53 179.984 179.500 0.484 1
1 601 . 1 1 1 A 53 53 LYS CA C 53 60.699 60.362 0.337 1
1 602 . 1 1 1 A 53 53 LYS CB C 53 32.239 32.448 -0.209 1
1 606 . 1 1 1 A 53 53 LYS N N 53 118.013 116.721 1.292 1
1 607 . 1 1 1 A 54 54 LYS H H 54 8.090 7.833 0.257 1
1 608 . 1 1 1 A 54 54 LYS HA H 54 4.165 4.135 0.030 1
1 616 . 1 1 1 A 54 54 LYS C C 54 178.638 179.574 -0.936 1
1 617 . 1 1 1 A 54 54 LYS CA C 54 59.847 59.672 0.175 1
1 618 . 1 1 1 A 54 54 LYS CB C 54 32.116 32.412 -0.296 1
1 622 . 1 1 1 A 54 54 LYS N N 54 122.616 119.682 2.934 1
1 623 . 1 1 1 A 55 55 GLN H H 55 8.214 8.361 -0.147 1
1 624 . 1 1 1 A 55 55 GLN HA H 55 3.976 4.060 -0.084 1
1 631 . 1 1 1 A 55 55 GLN C C 55 179.696 177.968 1.728 1
1 632 . 1 1 1 A 55 55 GLN CA C 55 59.177 58.411 0.766 1
1 633 . 1 1 1 A 55 55 GLN CB C 55 29.400 28.453 0.947 1
1 635 . 1 1 1 A 55 55 GLN N N 55 119.132 118.792 0.340 1
1 637 . 1 1 1 A 56 56 LEU H H 56 8.506 7.731 0.775 1
1 638 . 1 1 1 A 56 56 LEU HA H 56 4.116 4.196 -0.080 1
1 648 . 1 1 1 A 56 56 LEU C C 56 176.782 178.229 -1.447 1
1 649 . 1 1 1 A 56 56 LEU CA C 56 57.925 57.469 0.456 1
1 650 . 1 1 1 A 56 56 LEU CB C 56 41.465 42.231 -0.766 1
1 654 . 1 1 1 A 56 56 LEU N N 56 122.033 121.493 0.540 1
1 655 . 1 1 1 A 57 57 ALA H H 57 7.896 8.590 -0.694 1
1 656 . 1 1 1 A 57 57 ALA HA H 57 4.232 4.081 0.151 1
1 660 . 1 1 1 A 57 57 ALA C C 57 180.928 179.600 1.328 1
1 661 . 1 1 1 A 57 57 ALA CA C 57 55.246 55.299 -0.053 1
1 662 . 1 1 1 A 57 57 ALA CB C 57 17.776 18.591 -0.815 1
1 663 . 1 1 1 A 57 57 ALA N N 57 121.379 121.294 0.085 1
1 664 . 1 1 1 A 58 58 VAL H H 58 7.973 8.408 -0.435 1
1 665 . 1 1 1 A 58 58 VAL HA H 58 3.761 3.789 -0.028 1
1 673 . 1 1 1 A 58 58 VAL C C 58 179.410 177.932 1.478 1
1 674 . 1 1 1 A 58 58 VAL CA C 58 65.807 66.752 -0.945 1
1 675 . 1 1 1 A 58 58 VAL CB C 58 31.978 31.499 0.479 1
1 678 . 1 1 1 A 58 58 VAL N N 58 117.592 117.908 -0.316 1
1 679 . 1 1 1 A 59 59 ALA H H 59 8.024 8.327 -0.303 1
1 680 . 1 1 1 A 59 59 ALA HA H 59 4.133 3.964 0.169 1
1 684 . 1 1 1 A 59 59 ALA C C 59 179.359 179.974 -0.615 1
1 685 . 1 1 1 A 59 59 ALA CA C 59 54.805 55.891 -1.086 1
1 686 . 1 1 1 A 59 59 ALA CB C 59 18.513 18.372 0.141 1
1 687 . 1 1 1 A 59 59 ALA N N 59 124.023 121.469 2.554 1
1 688 . 1 1 1 A 60 60 GLU H H 60 8.334 7.734 0.600 1
1 689 . 1 1 1 A 60 60 GLU HA H 60 4.143 4.066 0.077 1
1 694 . 1 1 1 A 60 60 GLU C C 60 177.391 176.506 0.885 1
1 695 . 1 1 1 A 60 60 GLU CA C 60 57.915 58.488 -0.573 1
1 696 . 1 1 1 A 60 60 GLU CB C 60 30.962 30.192 0.770 1
1 698 . 1 1 1 A 60 60 GLU N N 60 115.335 117.223 -1.888 1
1 699 . 1 1 1 A 61 61 GLY H H 61 7.845 7.908 -0.063 1
1 700 . 1 1 1 A 61 61 GLY HA2 H 61 3.958 4.041 -0.083 1
1 701 . 1 1 1 A 61 61 GLY HA3 H 61 3.958 4.041 -0.083 1
1 702 . 1 1 1 A 61 61 GLY C C 61 174.090 174.871 -0.781 1
1 703 . 1 1 1 A 61 61 GLY CA C 61 45.654 45.467 0.187 1
1 704 . 1 1 1 A 61 61 GLY N N 61 107.486 107.058 0.428 1
1 705 . 1 1 1 A 62 62 LYS H H 62 8.068 7.780 0.288 1
1 706 . 1 1 1 A 62 62 LYS HA H 62 4.612 4.407 0.205 1
1 715 . 1 1 1 A 62 62 LYS C C 62 174.023 174.437 -0.414 1
1 716 . 1 1 1 A 62 62 LYS CA C 62 54.147 54.530 -0.383 1
1 717 . 1 1 1 A 62 62 LYS CB C 62 32.651 32.020 0.631 1
1 721 . 1 1 1 A 62 62 LYS N N 62 121.672 121.333 0.339 1
1 722 . 1 1 1 A 63 63 PRO HA H 63 4.692 4.654 0.038 1
1 729 . 1 1 1 A 63 63 PRO CA C 63 61.351 61.633 -0.282 1
1 730 . 1 1 1 A 63 63 PRO CB C 63 30.892 31.614 -0.722 1
1 733 . 1 1 1 A 64 64 PRO HA H 64 4.408 4.478 -0.070 1
1 740 . 1 1 1 A 64 64 PRO C C 64 176.775 177.035 -0.260 1
1 741 . 1 1 1 A 64 64 PRO CA C 64 62.926 63.162 -0.236 1
1 742 . 1 1 1 A 64 64 PRO CB C 64 32.074 31.266 0.808 1
1 745 . 1 1 1 A 65 65 GLU H H 65 8.396 8.797 -0.401 1
1 746 . 1 1 1 A 65 65 GLU HA H 65 4.243 3.796 0.447 1
1 751 . 1 1 1 A 65 65 GLU C C 65 175.888 176.754 -0.866 1
1 752 . 1 1 1 A 65 65 GLU CA C 65 56.083 57.275 -1.192 1
1 753 . 1 1 1 A 65 65 GLU CB C 65 30.722 27.680 3.042 1
1 755 . 1 1 1 A 65 65 GLU N N 65 121.093 117.155 3.938 1
1 756 . 1 1 1 A 66 66 ALA H H 66 8.434 7.870 0.564 1
1 757 . 1 1 1 A 66 66 ALA HA H 66 4.583 4.068 0.515 1
1 761 . 1 1 1 A 66 66 ALA C C 66 175.504 175.894 -0.390 1
1 762 . 1 1 1 A 66 66 ALA CA C 66 50.482 56.858 -6.376 1
1 763 . 1 1 1 A 66 66 ALA CB C 66 18.108 17.866 0.242 1
1 764 . 1 1 1 A 66 66 ALA N N 66 127.348 119.697 7.651 1
1 765 . 1 1 1 A 67 67 PRO HA H 67 4.408 4.322 0.086 1
1 772 . 1 1 1 A 67 67 PRO C C 67 177.111 176.292 0.819 1
1 773 . 1 1 1 A 67 67 PRO CA C 67 63.056 65.447 -2.391 1
1 774 . 1 1 1 A 67 67 PRO CB C 67 32.074 30.851 1.223 1
1 777 . 1 1 1 A 68 68 LYS H H 68 8.479 7.697 0.782 1
1 778 . 1 1 1 A 68 68 LYS HA H 68 4.291 4.223 0.068 1
1 787 . 1 1 1 A 68 68 LYS C C 68 177.292 177.191 0.101 1
1 788 . 1 1 1 A 68 68 LYS CA C 68 56.322 57.608 -1.286 1
1 789 . 1 1 1 A 68 68 LYS CB C 68 33.146 32.217 0.929 1
1 793 . 1 1 1 A 68 68 LYS N N 68 121.836 118.131 3.705 1
1 794 . 1 1 1 A 69 69 GLY H H 69 8.387 8.630 -0.243 1
1 795 . 1 1 1 A 69 69 GLY HA2 H 69 3.948 4.104 -0.156 1
1 796 . 1 1 1 A 69 69 GLY HA3 H 69 3.948 4.104 -0.156 1
1 797 . 1 1 1 A 69 69 GLY C C 69 173.940 174.538 -0.598 1
1 798 . 1 1 1 A 69 69 GLY CA C 69 45.160 44.799 0.361 1
1 799 . 1 1 1 A 69 69 GLY N N 69 109.796 111.790 -1.994 1
1 800 . 1 1 1 A 70 70 LYS H H 70 8.196 8.697 -0.501 1
1 801 . 1 1 1 A 70 70 LYS HA H 70 4.318 4.114 0.204 1
1 810 . 1 1 1 A 70 70 LYS C C 70 176.642 177.850 -1.208 1
1 811 . 1 1 1 A 70 70 LYS CA C 70 56.127 58.232 -2.105 1
1 812 . 1 1 1 A 70 70 LYS CB C 70 33.272 32.786 0.486 1
1 816 . 1 1 1 A 70 70 LYS N N 70 121.044 121.223 -0.179 1
1 817 . 1 1 1 A 71 71 LYS H H 71 8.348 8.180 0.168 1
1 818 . 1 1 1 A 71 71 LYS HA H 71 4.273 4.025 0.248 1
1 827 . 1 1 1 A 71 71 LYS C C 71 176.548 177.312 -0.764 1
1 828 . 1 1 1 A 71 71 LYS CA C 71 56.285 59.729 -3.444 1
1 829 . 1 1 1 A 71 71 LYS CB C 71 33.270 32.326 0.944 1
1 833 . 1 1 1 A 71 71 LYS N N 71 123.152 119.774 3.378 1
1 834 . 1 1 1 A 72 72 LYS H H 72 8.405 7.792 0.613 1
1 835 . 1 1 1 A 72 72 LYS HA H 72 4.273 4.229 0.044 1
1 836 . 1 1 1 A 72 72 LYS C C 72 176.499 175.412 1.087 1
1 837 . 1 1 1 A 72 72 LYS CA C 72 56.356 56.176 0.180 1
1 838 . 1 1 1 A 72 72 LYS CB C 72 33.146 32.270 0.876 1
1 1 . 2 1 1 A 7 7 GLY HA2 H 7 4.042 4.287 -0.245 1
1 2 . 2 1 1 A 7 7 GLY HA3 H 7 4.042 4.287 -0.245 1
1 3 . 2 1 1 A 7 7 GLY C C 7 174.377 171.993 2.384 1
1 4 . 2 1 1 A 7 7 GLY CA C 7 45.425 45.510 -0.085 1
1 5 . 2 1 1 A 8 8 THR H H 8 8.131 8.565 -0.434 1
1 6 . 2 1 1 A 8 8 THR HA H 8 4.448 5.138 -0.690 1
1 11 . 2 1 1 A 8 8 THR C C 8 174.773 173.967 0.806 1
1 12 . 2 1 1 A 8 8 THR CA C 8 61.787 59.254 2.533 1
1 13 . 2 1 1 A 8 8 THR CB C 8 69.913 71.412 -1.499 1
1 15 . 2 1 1 A 8 8 THR N N 8 113.630 115.806 -2.176 1
1 16 . 2 1 1 A 9 9 THR H H 9 8.180 8.706 -0.526 1
1 17 . 2 1 1 A 9 9 THR HA H 9 4.355 5.105 -0.750 1
1 22 . 2 1 1 A 9 9 THR C C 9 174.203 174.236 -0.033 1
1 23 . 2 1 1 A 9 9 THR CA C 9 61.892 60.141 1.751 1
1 24 . 2 1 1 A 9 9 THR CB C 9 69.891 70.978 -1.087 1
1 26 . 2 1 1 A 9 9 THR N N 9 116.604 118.158 -1.554 1
1 27 . 2 1 1 A 10 10 ALA H H 10 8.405 8.495 -0.090 1
1 28 . 2 1 1 A 10 10 ALA HA H 10 4.376 4.649 -0.273 1
1 32 . 2 1 1 A 10 10 ALA C C 10 177.430 177.108 0.322 1
1 33 . 2 1 1 A 10 10 ALA CA C 10 52.317 51.527 0.790 1
1 34 . 2 1 1 A 10 10 ALA CB C 10 19.506 22.429 -2.923 1
1 35 . 2 1 1 A 10 10 ALA N N 10 126.934 121.642 5.292 1
1 36 . 2 1 1 A 11 11 LYS H H 11 8.462 9.187 -0.725 1
1 37 . 2 1 1 A 11 11 LYS HA H 11 4.575 4.012 0.563 1
1 46 . 2 1 1 A 11 11 LYS C C 11 174.921 176.481 -1.560 1
1 47 . 2 1 1 A 11 11 LYS CA C 11 55.122 61.439 -6.317 1
1 48 . 2 1 1 A 11 11 LYS CB C 11 31.910 30.454 1.456 1
1 52 . 2 1 1 A 11 11 LYS N N 11 121.526 120.083 1.443 1
1 53 . 2 1 1 A 12 12 PRO HA H 12 4.363 4.421 -0.058 1
1 60 . 2 1 1 A 12 12 PRO C C 12 178.290 178.169 0.121 1
1 61 . 2 1 1 A 12 12 PRO CA C 12 64.502 64.695 -0.193 1
1 62 . 2 1 1 A 12 12 PRO CB C 12 31.992 31.398 0.594 1
1 65 . 2 1 1 A 13 13 GLN H H 13 8.665 8.323 0.342 1
1 66 . 2 1 1 A 13 13 GLN HA H 13 4.158 4.379 -0.221 1
1 73 . 2 1 1 A 13 13 GLN C C 13 177.727 177.669 0.058 1
1 74 . 2 1 1 A 13 13 GLN CA C 13 58.366 58.025 0.341 1
1 75 . 2 1 1 A 13 13 GLN CB C 13 28.584 29.284 -0.700 1
1 77 . 2 1 1 A 13 13 GLN N N 13 119.964 117.989 1.975 1
1 79 . 2 1 1 A 14 14 GLN H H 14 8.376 8.187 0.189 1
1 80 . 2 1 1 A 14 14 GLN HA H 14 4.217 4.093 0.124 1
1 87 . 2 1 1 A 14 14 GLN C C 14 178.304 178.314 -0.010 1
1 88 . 2 1 1 A 14 14 GLN CA C 14 58.190 58.639 -0.449 1
1 89 . 2 1 1 A 14 14 GLN CB C 14 28.639 27.723 0.916 1
1 91 . 2 1 1 A 14 14 GLN N N 14 120.039 116.892 3.147 1
1 93 . 2 1 1 A 15 15 ILE H H 15 7.802 7.595 0.207 1
1 94 . 2 1 1 A 15 15 ILE HA H 15 3.654 3.671 -0.017 1
1 104 . 2 1 1 A 15 15 ILE C C 15 177.183 177.846 -0.663 1
1 105 . 2 1 1 A 15 15 ILE CA C 15 64.643 64.423 0.220 1
1 106 . 2 1 1 A 15 15 ILE CB C 15 37.828 37.957 -0.129 1
1 110 . 2 1 1 A 15 15 ILE N N 15 119.981 121.878 -1.897 1
1 111 . 2 1 1 A 16 16 GLN H H 16 8.159 8.178 -0.019 1
1 112 . 2 1 1 A 16 16 GLN HA H 16 3.958 3.976 -0.018 1
1 119 . 2 1 1 A 16 16 GLN C C 16 177.647 178.079 -0.432 1
1 120 . 2 1 1 A 16 16 GLN CA C 16 58.648 59.053 -0.405 1
1 121 . 2 1 1 A 16 16 GLN CB C 16 28.531 28.326 0.205 1
1 123 . 2 1 1 A 16 16 GLN N N 16 119.695 119.991 -0.296 1
1 125 . 2 1 1 A 17 17 ALA H H 17 7.946 7.808 0.138 1
1 126 . 2 1 1 A 17 17 ALA HA H 17 4.239 4.019 0.220 1
1 130 . 2 1 1 A 17 17 ALA C C 17 180.910 179.769 1.141 1
1 131 . 2 1 1 A 17 17 ALA CA C 17 55.106 54.977 0.129 1
1 132 . 2 1 1 A 17 17 ALA CB C 17 17.990 18.215 -0.225 1
1 133 . 2 1 1 A 17 17 ALA N N 17 120.227 121.782 -1.555 1
1 134 . 2 1 1 A 18 18 LEU H H 18 7.682 8.421 -0.739 1
1 135 . 2 1 1 A 18 18 LEU HA H 18 4.187 3.888 0.299 1
1 145 . 2 1 1 A 18 18 LEU C C 18 178.977 179.006 -0.029 1
1 146 . 2 1 1 A 18 18 LEU CA C 18 57.890 58.115 -0.225 1
1 147 . 2 1 1 A 18 18 LEU CB C 18 43.361 41.931 1.430 1
1 151 . 2 1 1 A 18 18 LEU N N 18 119.764 118.965 0.799 1
1 152 . 2 1 1 A 19 19 MET H H 19 8.699 8.524 0.175 1
1 153 . 2 1 1 A 19 19 MET HA H 19 3.965 4.015 -0.050 1
1 161 . 2 1 1 A 19 19 MET C C 19 179.207 178.281 0.926 1
1 162 . 2 1 1 A 19 19 MET CA C 19 59.794 59.086 0.708 1
1 163 . 2 1 1 A 19 19 MET CB C 19 32.445 32.344 0.101 1
1 166 . 2 1 1 A 19 19 MET N N 19 119.982 116.445 3.537 1
1 167 . 2 1 1 A 20 20 ASP H H 20 8.435 7.953 0.482 1
1 168 . 2 1 1 A 20 20 ASP HA H 20 4.453 4.365 0.088 1
1 171 . 2 1 1 A 20 20 ASP C C 20 179.127 178.570 0.557 1
1 172 . 2 1 1 A 20 20 ASP CA C 20 57.449 57.646 -0.197 1
1 173 . 2 1 1 A 20 20 ASP CB C 20 39.986 42.349 -2.363 1
1 174 . 2 1 1 A 20 20 ASP N N 20 120.434 120.560 -0.126 1
1 175 . 2 1 1 A 21 21 GLU H H 21 8.150 7.701 0.449 1
1 176 . 2 1 1 A 21 21 GLU HA H 21 4.168 4.037 0.131 1
1 181 . 2 1 1 A 21 21 GLU C C 21 179.405 179.437 -0.032 1
1 182 . 2 1 1 A 21 21 GLU CA C 21 59.477 59.294 0.183 1
1 183 . 2 1 1 A 21 21 GLU CB C 21 29.441 29.416 0.025 1
1 185 . 2 1 1 A 21 21 GLU N N 21 122.159 118.956 3.203 1
1 186 . 2 1 1 A 22 22 VAL H H 22 8.754 8.027 0.727 1
1 187 . 2 1 1 A 22 22 VAL HA H 22 3.484 3.680 -0.196 1
1 195 . 2 1 1 A 22 22 VAL C C 22 179.177 178.752 0.425 1
1 196 . 2 1 1 A 22 22 VAL CA C 22 67.545 66.164 1.381 1
1 197 . 2 1 1 A 22 22 VAL CB C 22 31.712 31.538 0.174 1
1 200 . 2 1 1 A 22 22 VAL N N 22 121.967 120.141 1.826 1
1 201 . 2 1 1 A 23 23 THR H H 23 8.410 8.190 0.220 1
1 202 . 2 1 1 A 23 23 THR HA H 23 3.888 3.946 -0.058 1
1 207 . 2 1 1 A 23 23 THR C C 23 176.515 176.133 0.382 1
1 208 . 2 1 1 A 23 23 THR CA C 23 66.706 67.218 -0.512 1
1 209 . 2 1 1 A 23 23 THR CB C 23 68.646 68.761 -0.115 1
1 211 . 2 1 1 A 23 23 THR N N 23 119.619 116.826 2.793 1
1 212 . 2 1 1 A 24 24 LYS H H 24 8.179 8.355 -0.176 1
1 213 . 2 1 1 A 24 24 LYS HA H 24 4.055 3.866 0.189 1
1 219 . 2 1 1 A 24 24 LYS C C 24 179.223 178.408 0.815 1
1 220 . 2 1 1 A 24 24 LYS CA C 24 59.865 59.800 0.065 1
1 221 . 2 1 1 A 24 24 LYS CB C 24 32.733 32.492 0.241 1
1 225 . 2 1 1 A 24 24 LYS N N 24 122.464 121.371 1.093 1
1 226 . 2 1 1 A 25 25 GLN H H 25 8.791 8.237 0.554 1
1 227 . 2 1 1 A 25 25 GLN HA H 25 4.266 4.025 0.241 1
1 234 . 2 1 1 A 25 25 GLN C C 25 178.359 178.824 -0.465 1
1 235 . 2 1 1 A 25 25 GLN CA C 25 57.273 59.498 -2.225 1
1 236 . 2 1 1 A 25 25 GLN CB C 25 26.830 28.423 -1.593 1
1 238 . 2 1 1 A 25 25 GLN N N 25 120.181 118.628 1.553 1
1 240 . 2 1 1 A 26 26 GLY H H 26 8.828 8.100 0.728 1
1 241 . 2 1 1 A 26 26 GLY HA2 H 26 4.099 3.809 0.290 1
1 242 . 2 1 1 A 26 26 GLY HA3 H 26 3.788 3.809 -0.021 1
1 243 . 2 1 1 A 26 26 GLY C C 26 176.618 175.973 0.645 1
1 244 . 2 1 1 A 26 26 GLY CA C 26 47.161 47.473 -0.312 1
1 245 . 2 1 1 A 26 26 GLY N N 26 108.597 107.600 0.997 1
1 246 . 2 1 1 A 27 27 ASN H H 27 7.910 7.928 -0.018 1
1 247 . 2 1 1 A 27 27 ASN HA H 27 4.582 4.585 -0.003 1
1 252 . 2 1 1 A 27 27 ASN C C 27 177.317 176.331 0.986 1
1 253 . 2 1 1 A 27 27 ASN CA C 27 56.074 54.260 1.814 1
1 254 . 2 1 1 A 27 27 ASN CB C 27 37.729 38.127 -0.398 1
1 255 . 2 1 1 A 27 27 ASN N N 27 121.818 119.541 2.277 1
1 257 . 2 1 1 A 28 28 ILE H H 28 7.811 7.840 -0.029 1
1 258 . 2 1 1 A 28 28 ILE HA H 28 3.789 4.328 -0.539 1
1 268 . 2 1 1 A 28 28 ILE C C 28 178.445 178.309 0.136 1
1 269 . 2 1 1 A 28 28 ILE CA C 28 65.117 63.539 1.578 1
1 270 . 2 1 1 A 28 28 ILE CB C 28 37.914 37.865 0.049 1
1 274 . 2 1 1 A 28 28 ILE N N 28 123.083 118.164 4.919 1
1 275 . 2 1 1 A 29 29 VAL H H 29 8.018 8.400 -0.382 1
1 276 . 2 1 1 A 29 29 VAL HA H 29 3.399 3.635 -0.236 1
1 284 . 2 1 1 A 29 29 VAL C C 29 176.953 177.883 -0.930 1
1 285 . 2 1 1 A 29 29 VAL CA C 29 67.541 66.841 0.700 1
1 286 . 2 1 1 A 29 29 VAL CB C 29 32.013 31.213 0.800 1
1 289 . 2 1 1 A 29 29 VAL N N 29 119.117 121.380 -2.263 1
1 290 . 2 1 1 A 30 30 ARG H H 30 7.965 7.718 0.247 1
1 291 . 2 1 1 A 30 30 ARG HA H 30 3.928 4.065 -0.137 1
1 298 . 2 1 1 A 30 30 ARG C C 30 179.609 178.093 1.516 1
1 299 . 2 1 1 A 30 30 ARG CA C 30 60.006 59.014 0.992 1
1 300 . 2 1 1 A 30 30 ARG CB C 30 30.302 29.988 0.314 1
1 303 . 2 1 1 A 30 30 ARG N N 30 118.510 120.618 -2.108 1
1 304 . 2 1 1 A 31 31 GLU H H 31 8.211 8.135 0.076 1
1 305 . 2 1 1 A 31 31 GLU HA H 31 4.167 4.091 0.076 1
1 310 . 2 1 1 A 31 31 GLU C C 31 178.910 179.117 -0.207 1
1 311 . 2 1 1 A 31 31 GLU CA C 31 59.195 59.105 0.090 1
1 312 . 2 1 1 A 31 31 GLU CB C 31 29.437 29.369 0.068 1
1 314 . 2 1 1 A 31 31 GLU N N 31 120.110 118.450 1.660 1
1 315 . 2 1 1 A 32 32 LEU H H 32 8.287 7.813 0.474 1
1 316 . 2 1 1 A 32 32 LEU HA H 32 4.021 3.946 0.075 1
1 326 . 2 1 1 A 32 32 LEU C C 32 179.931 178.879 1.052 1
1 327 . 2 1 1 A 32 32 LEU CA C 32 57.979 57.586 0.393 1
1 328 . 2 1 1 A 32 32 LEU CB C 32 42.524 41.811 0.713 1
1 332 . 2 1 1 A 32 32 LEU N N 32 120.148 121.710 -1.562 1
1 333 . 2 1 1 A 33 33 LYS H H 33 8.205 7.840 0.365 1
1 334 . 2 1 1 A 33 33 LYS HA H 33 4.048 4.011 0.037 1
1 343 . 2 1 1 A 33 33 LYS C C 33 180.739 179.416 1.323 1
1 344 . 2 1 1 A 33 33 LYS CA C 33 59.883 59.559 0.324 1
1 345 . 2 1 1 A 33 33 LYS CB C 33 32.569 32.179 0.390 1
1 349 . 2 1 1 A 33 33 LYS N N 33 117.234 117.304 -0.070 1
1 350 . 2 1 1 A 34 34 ALA H H 34 8.101 7.541 0.560 1
1 351 . 2 1 1 A 34 34 ALA HA H 34 4.185 4.089 0.096 1
1 355 . 2 1 1 A 34 34 ALA C C 34 179.304 178.689 0.615 1
1 356 . 2 1 1 A 34 34 ALA CA C 34 54.734 54.169 0.565 1
1 357 . 2 1 1 A 34 34 ALA CB C 34 18.190 18.188 0.002 1
1 358 . 2 1 1 A 34 34 ALA N N 34 123.540 120.903 2.637 1
1 359 . 2 1 1 A 35 35 GLN H H 35 7.815 7.694 0.121 1
1 360 . 2 1 1 A 35 35 GLN HA H 35 4.299 4.428 -0.129 1
1 367 . 2 1 1 A 35 35 GLN C C 35 175.344 175.226 0.118 1
1 368 . 2 1 1 A 35 35 GLN CA C 35 55.342 55.320 0.022 1
1 369 . 2 1 1 A 35 35 GLN CB C 35 28.819 28.651 0.168 1
1 371 . 2 1 1 A 35 35 GLN N N 35 115.126 115.241 -0.115 1
1 373 . 2 1 1 A 36 36 LYS H H 36 7.948 7.684 0.264 1
1 374 . 2 1 1 A 36 36 LYS HA H 36 3.963 3.989 -0.026 1
1 382 . 2 1 1 A 36 36 LYS C C 36 175.883 175.851 0.032 1
1 383 . 2 1 1 A 36 36 LYS CA C 36 56.872 57.123 -0.251 1
1 384 . 2 1 1 A 36 36 LYS CB C 36 28.917 30.171 -1.254 1
1 388 . 2 1 1 A 36 36 LYS N N 36 117.310 117.479 -0.169 1
1 389 . 2 1 1 A 37 37 ALA H H 37 7.646 7.224 0.422 1
1 390 . 2 1 1 A 37 37 ALA HA H 37 4.226 4.240 -0.014 1
1 394 . 2 1 1 A 37 37 ALA C C 37 176.094 176.645 -0.551 1
1 395 . 2 1 1 A 37 37 ALA CA C 37 52.143 52.612 -0.469 1
1 396 . 2 1 1 A 37 37 ALA CB C 37 20.742 19.651 1.091 1
1 397 . 2 1 1 A 37 37 ALA N N 37 120.112 122.930 -2.818 1
1 398 . 2 1 1 A 38 38 ASP H H 38 8.474 7.959 0.515 1
1 399 . 2 1 1 A 38 38 ASP HA H 38 4.387 4.429 -0.042 1
1 402 . 2 1 1 A 38 38 ASP C C 38 177.481 177.611 -0.130 1
1 403 . 2 1 1 A 38 38 ASP CA C 38 54.992 54.761 0.231 1
1 404 . 2 1 1 A 38 38 ASP CB C 38 43.156 42.293 0.863 1
1 405 . 2 1 1 A 38 38 ASP N N 38 119.141 121.378 -2.237 1
1 406 . 2 1 1 A 39 39 LYS H H 39 8.703 8.655 0.048 1
1 407 . 2 1 1 A 39 39 LYS HA H 39 3.967 4.059 -0.092 1
1 414 . 2 1 1 A 39 39 LYS C C 39 178.806 178.675 0.131 1
1 415 . 2 1 1 A 39 39 LYS CA C 39 59.547 59.053 0.494 1
1 416 . 2 1 1 A 39 39 LYS CB C 39 32.222 31.852 0.370 1
1 420 . 2 1 1 A 39 39 LYS N N 39 124.290 124.918 -0.628 1
1 421 . 2 1 1 A 40 40 ASN H H 40 8.873 8.225 0.648 1
1 422 . 2 1 1 A 40 40 ASN HA H 40 4.571 4.443 0.128 1
1 427 . 2 1 1 A 40 40 ASN C C 40 178.014 177.902 0.112 1
1 428 . 2 1 1 A 40 40 ASN CA C 40 56.091 56.388 -0.297 1
1 429 . 2 1 1 A 40 40 ASN CB C 40 37.900 38.563 -0.663 1
1 430 . 2 1 1 A 40 40 ASN N N 40 119.722 118.720 1.002 1
1 432 . 2 1 1 A 41 41 GLU H H 41 7.881 8.235 -0.354 1
1 433 . 2 1 1 A 41 41 GLU HA H 41 4.192 4.097 0.095 1
1 438 . 2 1 1 A 41 41 GLU C C 41 178.917 179.605 -0.688 1
1 439 . 2 1 1 A 41 41 GLU CA C 41 59.213 59.244 -0.031 1
1 440 . 2 1 1 A 41 41 GLU CB C 41 29.520 29.490 0.030 1
1 442 . 2 1 1 A 41 41 GLU N N 41 124.025 119.065 4.960 1
1 443 . 2 1 1 A 42 42 VAL H H 42 8.061 7.916 0.145 1
1 444 . 2 1 1 A 42 42 VAL HA H 42 3.397 3.568 -0.171 1
1 452 . 2 1 1 A 42 42 VAL C C 42 177.701 177.742 -0.041 1
1 453 . 2 1 1 A 42 42 VAL CA C 42 67.341 66.456 0.885 1
1 454 . 2 1 1 A 42 42 VAL CB C 42 32.075 31.738 0.337 1
1 457 . 2 1 1 A 42 42 VAL N N 42 117.921 121.380 -3.459 1
1 458 . 2 1 1 A 43 43 ALA H H 43 8.136 8.235 -0.099 1
1 459 . 2 1 1 A 43 43 ALA HA H 43 4.101 3.990 0.111 1
1 463 . 2 1 1 A 43 43 ALA C C 43 180.808 179.443 1.365 1
1 464 . 2 1 1 A 43 43 ALA CA C 43 55.404 55.620 -0.216 1
1 465 . 2 1 1 A 43 43 ALA CB C 43 17.722 18.605 -0.883 1
1 466 . 2 1 1 A 43 43 ALA N N 43 119.833 122.204 -2.371 1
1 467 . 2 1 1 A 44 44 ALA H H 44 7.664 7.759 -0.095 1
1 468 . 2 1 1 A 44 44 ALA HA H 44 4.234 4.009 0.225 1
1 472 . 2 1 1 A 44 44 ALA C C 44 180.953 180.325 0.628 1
1 473 . 2 1 1 A 44 44 ALA CA C 44 55.122 55.463 -0.341 1
1 474 . 2 1 1 A 44 44 ALA CB C 44 18.229 18.481 -0.252 1
1 475 . 2 1 1 A 44 44 ALA N N 44 121.026 119.455 1.571 1
1 476 . 2 1 1 A 45 45 GLU H H 45 7.837 7.912 -0.075 1
1 477 . 2 1 1 A 45 45 GLU HA H 45 4.447 4.008 0.439 1
1 482 . 2 1 1 A 45 45 GLU C C 45 180.357 179.378 0.979 1
1 483 . 2 1 1 A 45 45 GLU CA C 45 57.467 59.625 -2.158 1
1 484 . 2 1 1 A 45 45 GLU CB C 45 28.255 29.429 -1.174 1
1 486 . 2 1 1 A 45 45 GLU N N 45 118.409 117.928 0.481 1
1 487 . 2 1 1 A 46 46 VAL H H 46 9.024 8.260 0.764 1
1 488 . 2 1 1 A 46 46 VAL HA H 46 3.638 3.572 0.066 1
1 496 . 2 1 1 A 46 46 VAL C C 46 177.712 177.870 -0.158 1
1 497 . 2 1 1 A 46 46 VAL CA C 46 66.961 66.695 0.266 1
1 498 . 2 1 1 A 46 46 VAL CB C 46 31.910 31.565 0.345 1
1 501 . 2 1 1 A 46 46 VAL N N 46 124.975 121.119 3.856 1
1 502 . 2 1 1 A 47 47 ALA H H 47 8.130 8.541 -0.411 1
1 503 . 2 1 1 A 47 47 ALA HA H 47 4.093 4.007 0.086 1
1 507 . 2 1 1 A 47 47 ALA C C 47 180.853 179.241 1.612 1
1 508 . 2 1 1 A 47 47 ALA CA C 47 55.545 55.466 0.079 1
1 509 . 2 1 1 A 47 47 ALA CB C 47 17.683 18.339 -0.656 1
1 510 . 2 1 1 A 47 47 ALA N N 47 122.493 121.427 1.066 1
1 511 . 2 1 1 A 48 48 LYS H H 48 7.442 7.730 -0.288 1
1 512 . 2 1 1 A 48 48 LYS HA H 48 4.183 3.959 0.224 1
1 521 . 2 1 1 A 48 48 LYS C C 48 178.698 178.242 0.456 1
1 522 . 2 1 1 A 48 48 LYS CA C 48 59.389 59.846 -0.457 1
1 523 . 2 1 1 A 48 48 LYS CB C 48 32.610 32.441 0.169 1
1 527 . 2 1 1 A 48 48 LYS N N 48 118.186 118.424 -0.238 1
1 528 . 2 1 1 A 49 49 LEU H H 49 7.822 8.493 -0.671 1
1 529 . 2 1 1 A 49 49 LEU HA H 49 4.012 3.947 0.065 1
1 539 . 2 1 1 A 49 49 LEU C C 49 177.582 178.357 -0.775 1
1 540 . 2 1 1 A 49 49 LEU CA C 49 58.490 58.511 -0.021 1
1 541 . 2 1 1 A 49 49 LEU CB C 49 42.119 41.847 0.272 1
1 545 . 2 1 1 A 49 49 LEU N N 49 120.499 120.335 0.164 1
1 546 . 2 1 1 A 50 50 LEU H H 50 8.565 8.394 0.171 1
1 547 . 2 1 1 A 50 50 LEU HA H 50 3.994 3.900 0.094 1
1 557 . 2 1 1 A 50 50 LEU C C 50 180.128 178.677 1.451 1
1 558 . 2 1 1 A 50 50 LEU CA C 50 58.330 57.822 0.508 1
1 559 . 2 1 1 A 50 50 LEU CB C 50 41.060 41.341 -0.281 1
1 563 . 2 1 1 A 50 50 LEU N N 50 118.622 118.956 -0.334 1
1 564 . 2 1 1 A 51 51 ASP H H 51 7.962 8.331 -0.369 1
1 565 . 2 1 1 A 51 51 ASP HA H 51 4.480 4.505 -0.025 1
1 568 . 2 1 1 A 51 51 ASP C C 51 178.808 177.501 1.307 1
1 569 . 2 1 1 A 51 51 ASP CA C 51 57.802 56.630 1.172 1
1 570 . 2 1 1 A 51 51 ASP CB C 51 41.435 40.541 0.894 1
1 571 . 2 1 1 A 51 51 ASP N N 51 120.483 119.011 1.472 1
1 572 . 2 1 1 A 52 52 LEU H H 52 8.228 7.848 0.380 1
1 573 . 2 1 1 A 52 52 LEU HA H 52 4.006 4.155 -0.149 1
1 583 . 2 1 1 A 52 52 LEU C C 52 179.173 178.836 0.337 1
1 584 . 2 1 1 A 52 52 LEU CA C 52 58.190 55.676 2.514 1
1 585 . 2 1 1 A 52 52 LEU CB C 52 43.222 41.876 1.346 1
1 589 . 2 1 1 A 52 52 LEU N N 52 121.105 117.739 3.366 1
1 590 . 2 1 1 A 53 53 LYS H H 53 8.531 7.634 0.897 1
1 591 . 2 1 1 A 53 53 LYS HA H 53 3.872 4.121 -0.249 1
1 600 . 2 1 1 A 53 53 LYS C C 53 179.984 178.564 1.420 1
1 601 . 2 1 1 A 53 53 LYS CA C 53 60.699 59.042 1.657 1
1 602 . 2 1 1 A 53 53 LYS CB C 53 32.239 32.602 -0.363 1
1 606 . 2 1 1 A 53 53 LYS N N 53 118.013 120.167 -2.154 1
1 607 . 2 1 1 A 54 54 LYS H H 54 8.090 8.135 -0.045 1
1 608 . 2 1 1 A 54 54 LYS HA H 54 4.165 4.116 0.049 1
1 616 . 2 1 1 A 54 54 LYS C C 54 178.638 178.752 -0.114 1
1 617 . 2 1 1 A 54 54 LYS CA C 54 59.847 59.002 0.845 1
1 618 . 2 1 1 A 54 54 LYS CB C 54 32.116 32.561 -0.445 1
1 622 . 2 1 1 A 54 54 LYS N N 54 122.616 118.605 4.011 1
1 623 . 2 1 1 A 55 55 GLN H H 55 8.214 7.735 0.479 1
1 624 . 2 1 1 A 55 55 GLN HA H 55 3.976 4.037 -0.061 1
1 631 . 2 1 1 A 55 55 GLN C C 55 179.696 178.458 1.238 1
1 632 . 2 1 1 A 55 55 GLN CA C 55 59.177 58.728 0.449 1
1 633 . 2 1 1 A 55 55 GLN CB C 55 29.400 28.052 1.348 1
1 635 . 2 1 1 A 55 55 GLN N N 55 119.132 119.189 -0.057 1
1 637 . 2 1 1 A 56 56 LEU H H 56 8.506 7.909 0.597 1
1 638 . 2 1 1 A 56 56 LEU HA H 56 4.116 4.020 0.096 1
1 648 . 2 1 1 A 56 56 LEU C C 56 176.782 178.198 -1.416 1
1 649 . 2 1 1 A 56 56 LEU CA C 56 57.925 58.244 -0.319 1
1 650 . 2 1 1 A 56 56 LEU CB C 56 41.465 41.952 -0.487 1
1 654 . 2 1 1 A 56 56 LEU N N 56 122.033 122.196 -0.163 1
1 655 . 2 1 1 A 57 57 ALA H H 57 7.896 8.330 -0.434 1
1 656 . 2 1 1 A 57 57 ALA HA H 57 4.232 4.066 0.166 1
1 660 . 2 1 1 A 57 57 ALA C C 57 180.928 180.039 0.889 1
1 661 . 2 1 1 A 57 57 ALA CA C 57 55.246 55.464 -0.218 1
1 662 . 2 1 1 A 57 57 ALA CB C 57 17.776 18.592 -0.816 1
1 663 . 2 1 1 A 57 57 ALA N N 57 121.379 120.163 1.216 1
1 664 . 2 1 1 A 58 58 VAL H H 58 7.973 7.929 0.044 1
1 665 . 2 1 1 A 58 58 VAL HA H 58 3.761 3.508 0.253 1
1 673 . 2 1 1 A 58 58 VAL C C 58 179.410 178.125 1.285 1
1 674 . 2 1 1 A 58 58 VAL CA C 58 65.807 66.680 -0.873 1
1 675 . 2 1 1 A 58 58 VAL CB C 58 31.978 31.661 0.317 1
1 678 . 2 1 1 A 58 58 VAL N N 58 117.592 118.180 -0.588 1
1 679 . 2 1 1 A 59 59 ALA H H 59 8.024 8.304 -0.280 1
1 680 . 2 1 1 A 59 59 ALA HA H 59 4.133 3.916 0.217 1
1 684 . 2 1 1 A 59 59 ALA C C 59 179.359 179.652 -0.293 1
1 685 . 2 1 1 A 59 59 ALA CA C 59 54.805 55.827 -1.022 1
1 686 . 2 1 1 A 59 59 ALA CB C 59 18.513 18.447 0.066 1
1 687 . 2 1 1 A 59 59 ALA N N 59 124.023 122.161 1.862 1
1 688 . 2 1 1 A 60 60 GLU H H 60 8.334 8.234 0.100 1
1 689 . 2 1 1 A 60 60 GLU HA H 60 4.143 4.268 -0.125 1
1 694 . 2 1 1 A 60 60 GLU C C 60 177.391 177.277 0.114 1
1 695 . 2 1 1 A 60 60 GLU CA C 60 57.915 56.509 1.406 1
1 696 . 2 1 1 A 60 60 GLU CB C 60 30.962 30.013 0.949 1
1 698 . 2 1 1 A 60 60 GLU N N 60 115.335 115.165 0.170 1
1 699 . 2 1 1 A 61 61 GLY H H 61 7.845 8.404 -0.559 1
1 700 . 2 1 1 A 61 61 GLY HA2 H 61 3.958 3.882 0.076 1
1 701 . 2 1 1 A 61 61 GLY HA3 H 61 3.958 3.882 0.076 1
1 702 . 2 1 1 A 61 61 GLY C C 61 174.090 174.217 -0.127 1
1 703 . 2 1 1 A 61 61 GLY CA C 61 45.654 45.973 -0.319 1
1 704 . 2 1 1 A 61 61 GLY N N 61 107.486 108.791 -1.305 1
1 705 . 2 1 1 A 62 62 LYS H H 62 8.068 7.666 0.402 1
1 706 . 2 1 1 A 62 62 LYS HA H 62 4.612 4.820 -0.208 1
1 715 . 2 1 1 A 62 62 LYS C C 62 174.023 174.720 -0.697 1
1 716 . 2 1 1 A 62 62 LYS CA C 62 54.147 54.149 -0.002 1
1 717 . 2 1 1 A 62 62 LYS CB C 62 32.651 33.731 -1.080 1
1 721 . 2 1 1 A 62 62 LYS N N 62 121.672 116.547 5.125 1
1 722 . 2 1 1 A 63 63 PRO HA H 63 4.692 4.651 0.041 1
1 729 . 2 1 1 A 63 63 PRO CA C 63 61.351 61.627 -0.276 1
1 730 . 2 1 1 A 63 63 PRO CB C 63 30.892 31.581 -0.689 1
1 733 . 2 1 1 A 64 64 PRO HA H 64 4.408 4.476 -0.068 1
1 740 . 2 1 1 A 64 64 PRO C C 64 176.775 177.031 -0.256 1
1 741 . 2 1 1 A 64 64 PRO CA C 64 62.926 63.190 -0.264 1
1 742 . 2 1 1 A 64 64 PRO CB C 64 32.074 31.266 0.808 1
1 745 . 2 1 1 A 65 65 GLU H H 65 8.396 8.787 -0.391 1
1 746 . 2 1 1 A 65 65 GLU HA H 65 4.243 3.762 0.481 1
1 751 . 2 1 1 A 65 65 GLU C C 65 175.888 176.667 -0.779 1
1 752 . 2 1 1 A 65 65 GLU CA C 65 56.083 57.169 -1.086 1
1 753 . 2 1 1 A 65 65 GLU CB C 65 30.722 27.765 2.957 1
1 755 . 2 1 1 A 65 65 GLU N N 65 121.093 117.138 3.955 1
1 756 . 2 1 1 A 66 66 ALA H H 66 8.434 7.799 0.635 1
1 757 . 2 1 1 A 66 66 ALA HA H 66 4.583 4.092 0.491 1
1 761 . 2 1 1 A 66 66 ALA C C 66 175.504 176.273 -0.769 1
1 762 . 2 1 1 A 66 66 ALA CA C 66 50.482 56.853 -6.371 1
1 763 . 2 1 1 A 66 66 ALA CB C 66 18.108 18.108 0.000 1
1 764 . 2 1 1 A 66 66 ALA N N 66 127.348 119.954 7.394 1
1 765 . 2 1 1 A 67 67 PRO HA H 67 4.408 4.282 0.126 1
1 772 . 2 1 1 A 67 67 PRO C C 67 177.111 176.482 0.629 1
1 773 . 2 1 1 A 67 67 PRO CA C 67 63.056 65.715 -2.659 1
1 774 . 2 1 1 A 67 67 PRO CB C 67 32.074 31.306 0.768 1
1 777 . 2 1 1 A 68 68 LYS H H 68 8.479 7.728 0.751 1
1 778 . 2 1 1 A 68 68 LYS HA H 68 4.291 4.862 -0.571 1
1 787 . 2 1 1 A 68 68 LYS C C 68 177.292 175.672 1.620 1
1 788 . 2 1 1 A 68 68 LYS CA C 68 56.322 55.077 1.245 1
1 789 . 2 1 1 A 68 68 LYS CB C 68 33.146 34.164 -1.018 1
1 793 . 2 1 1 A 68 68 LYS N N 68 121.836 116.785 5.051 1
1 794 . 2 1 1 A 69 69 GLY H H 69 8.387 8.461 -0.074 1
1 795 . 2 1 1 A 69 69 GLY HA2 H 69 3.948 4.245 -0.297 1
1 796 . 2 1 1 A 69 69 GLY HA3 H 69 3.948 4.245 -0.297 1
1 797 . 2 1 1 A 69 69 GLY C C 69 173.940 172.243 1.697 1
1 798 . 2 1 1 A 69 69 GLY CA C 69 45.160 45.704 -0.544 1
1 799 . 2 1 1 A 69 69 GLY N N 69 109.796 112.980 -3.184 1
1 800 . 2 1 1 A 70 70 LYS H H 70 8.196 8.550 -0.354 1
1 801 . 2 1 1 A 70 70 LYS HA H 70 4.318 4.310 0.008 1
1 810 . 2 1 1 A 70 70 LYS C C 70 176.642 175.928 0.714 1
1 811 . 2 1 1 A 70 70 LYS CA C 70 56.127 56.634 -0.507 1
1 812 . 2 1 1 A 70 70 LYS CB C 70 33.272 33.657 -0.385 1
1 816 . 2 1 1 A 70 70 LYS N N 70 121.044 120.010 1.034 1
1 817 . 2 1 1 A 71 71 LYS H H 71 8.348 8.436 -0.088 1
1 818 . 2 1 1 A 71 71 LYS HA H 71 4.273 4.662 -0.389 1
1 827 . 2 1 1 A 71 71 LYS C C 71 176.548 176.044 0.504 1
1 828 . 2 1 1 A 71 71 LYS CA C 71 56.285 54.614 1.671 1
1 829 . 2 1 1 A 71 71 LYS CB C 71 33.270 34.842 -1.572 1
1 833 . 2 1 1 A 71 71 LYS N N 71 123.152 122.256 0.896 1
1 834 . 2 1 1 A 72 72 LYS H H 72 8.405 8.335 0.070 1
1 835 . 2 1 1 A 72 72 LYS HA H 72 4.273 4.064 0.209 1
1 836 . 2 1 1 A 72 72 LYS C C 72 176.499 176.320 0.179 1
1 837 . 2 1 1 A 72 72 LYS CA C 72 56.356 56.877 -0.521 1
1 838 . 2 1 1 A 72 72 LYS CB C 72 33.146 32.046 1.100 1
1 1 . 3 1 1 A 7 7 GLY HA2 H 7 4.042 4.030 0.012 1
1 2 . 3 1 1 A 7 7 GLY HA3 H 7 4.042 4.030 0.012 1
1 3 . 3 1 1 A 7 7 GLY C C 7 174.377 173.997 0.380 1
1 4 . 3 1 1 A 7 7 GLY CA C 7 45.425 46.425 -1.000 1
1 5 . 3 1 1 A 8 8 THR H H 8 8.131 7.841 0.290 1
1 6 . 3 1 1 A 8 8 THR HA H 8 4.448 4.806 -0.358 1
1 11 . 3 1 1 A 8 8 THR C C 8 174.773 173.575 1.198 1
1 12 . 3 1 1 A 8 8 THR CA C 8 61.787 61.626 0.161 1
1 13 . 3 1 1 A 8 8 THR CB C 8 69.913 70.204 -0.291 1
1 15 . 3 1 1 A 8 8 THR N N 8 113.630 114.283 -0.653 1
1 16 . 3 1 1 A 9 9 THR H H 9 8.180 8.716 -0.536 1
1 17 . 3 1 1 A 9 9 THR HA H 9 4.355 4.920 -0.565 1
1 22 . 3 1 1 A 9 9 THR C C 9 174.203 173.152 1.051 1
1 23 . 3 1 1 A 9 9 THR CA C 9 61.892 60.787 1.105 1
1 24 . 3 1 1 A 9 9 THR CB C 9 69.891 72.172 -2.281 1
1 26 . 3 1 1 A 9 9 THR N N 9 116.604 123.402 -6.798 1
1 27 . 3 1 1 A 10 10 ALA H H 10 8.405 8.439 -0.034 1
1 28 . 3 1 1 A 10 10 ALA HA H 10 4.376 4.683 -0.307 1
1 32 . 3 1 1 A 10 10 ALA C C 10 177.430 177.127 0.303 1
1 33 . 3 1 1 A 10 10 ALA CA C 10 52.317 50.552 1.765 1
1 34 . 3 1 1 A 10 10 ALA CB C 10 19.506 23.054 -3.548 1
1 35 . 3 1 1 A 10 10 ALA N N 10 126.934 125.601 1.333 1
1 36 . 3 1 1 A 11 11 LYS H H 11 8.462 9.263 -0.801 1
1 37 . 3 1 1 A 11 11 LYS HA H 11 4.575 3.981 0.594 1
1 46 . 3 1 1 A 11 11 LYS C C 11 174.921 176.721 -1.800 1
1 47 . 3 1 1 A 11 11 LYS CA C 11 55.122 61.463 -6.341 1
1 48 . 3 1 1 A 11 11 LYS CB C 11 31.910 30.926 0.984 1
1 52 . 3 1 1 A 11 11 LYS N N 11 121.526 119.251 2.275 1
1 53 . 3 1 1 A 12 12 PRO HA H 12 4.363 4.420 -0.057 1
1 60 . 3 1 1 A 12 12 PRO C C 12 178.290 178.630 -0.340 1
1 61 . 3 1 1 A 12 12 PRO CA C 12 64.502 64.698 -0.196 1
1 62 . 3 1 1 A 12 12 PRO CB C 12 31.992 31.401 0.591 1
1 65 . 3 1 1 A 13 13 GLN H H 13 8.665 8.164 0.501 1
1 66 . 3 1 1 A 13 13 GLN HA H 13 4.158 4.389 -0.231 1
1 73 . 3 1 1 A 13 13 GLN C C 13 177.727 177.549 0.178 1
1 74 . 3 1 1 A 13 13 GLN CA C 13 58.366 58.346 0.020 1
1 75 . 3 1 1 A 13 13 GLN CB C 13 28.584 29.597 -1.013 1
1 77 . 3 1 1 A 13 13 GLN N N 13 119.964 117.835 2.129 1
1 79 . 3 1 1 A 14 14 GLN H H 14 8.376 8.311 0.065 1
1 80 . 3 1 1 A 14 14 GLN HA H 14 4.217 4.117 0.100 1
1 87 . 3 1 1 A 14 14 GLN C C 14 178.304 178.081 0.223 1
1 88 . 3 1 1 A 14 14 GLN CA C 14 58.190 58.175 0.015 1
1 89 . 3 1 1 A 14 14 GLN CB C 14 28.639 28.288 0.351 1
1 91 . 3 1 1 A 14 14 GLN N N 14 120.039 117.275 2.764 1
1 93 . 3 1 1 A 15 15 ILE H H 15 7.802 7.636 0.166 1
1 94 . 3 1 1 A 15 15 ILE HA H 15 3.654 3.653 0.001 1
1 104 . 3 1 1 A 15 15 ILE C C 15 177.183 178.449 -1.266 1
1 105 . 3 1 1 A 15 15 ILE CA C 15 64.643 65.177 -0.534 1
1 106 . 3 1 1 A 15 15 ILE CB C 15 37.828 37.783 0.045 1
1 110 . 3 1 1 A 15 15 ILE N N 15 119.981 121.382 -1.401 1
1 111 . 3 1 1 A 16 16 GLN H H 16 8.159 7.937 0.222 1
1 112 . 3 1 1 A 16 16 GLN HA H 16 3.958 4.001 -0.043 1
1 119 . 3 1 1 A 16 16 GLN C C 16 177.647 177.731 -0.084 1
1 120 . 3 1 1 A 16 16 GLN CA C 16 58.648 58.649 -0.001 1
1 121 . 3 1 1 A 16 16 GLN CB C 16 28.531 28.775 -0.244 1
1 123 . 3 1 1 A 16 16 GLN N N 16 119.695 120.880 -1.185 1
1 125 . 3 1 1 A 17 17 ALA H H 17 7.946 8.002 -0.056 1
1 126 . 3 1 1 A 17 17 ALA HA H 17 4.239 4.075 0.164 1
1 130 . 3 1 1 A 17 17 ALA C C 17 180.910 180.360 0.550 1
1 131 . 3 1 1 A 17 17 ALA CA C 17 55.106 54.917 0.189 1
1 132 . 3 1 1 A 17 17 ALA CB C 17 17.990 18.541 -0.551 1
1 133 . 3 1 1 A 17 17 ALA N N 17 120.227 121.897 -1.670 1
1 134 . 3 1 1 A 18 18 LEU H H 18 7.682 8.149 -0.467 1
1 135 . 3 1 1 A 18 18 LEU HA H 18 4.187 3.922 0.265 1
1 145 . 3 1 1 A 18 18 LEU C C 18 178.977 178.877 0.100 1
1 146 . 3 1 1 A 18 18 LEU CA C 18 57.890 58.132 -0.242 1
1 147 . 3 1 1 A 18 18 LEU CB C 18 43.361 41.790 1.571 1
1 151 . 3 1 1 A 18 18 LEU N N 18 119.764 120.023 -0.259 1
1 152 . 3 1 1 A 19 19 MET H H 19 8.699 8.373 0.326 1
1 153 . 3 1 1 A 19 19 MET HA H 19 3.965 4.086 -0.121 1
1 161 . 3 1 1 A 19 19 MET C C 19 179.207 178.108 1.099 1
1 162 . 3 1 1 A 19 19 MET CA C 19 59.794 58.431 1.363 1
1 163 . 3 1 1 A 19 19 MET CB C 19 32.445 31.877 0.568 1
1 166 . 3 1 1 A 19 19 MET N N 19 119.982 116.427 3.555 1
1 167 . 3 1 1 A 20 20 ASP H H 20 8.435 7.931 0.504 1
1 168 . 3 1 1 A 20 20 ASP HA H 20 4.453 4.330 0.123 1
1 171 . 3 1 1 A 20 20 ASP C C 20 179.127 178.087 1.040 1
1 172 . 3 1 1 A 20 20 ASP CA C 20 57.449 57.222 0.227 1
1 173 . 3 1 1 A 20 20 ASP CB C 20 39.986 41.057 -1.071 1
1 174 . 3 1 1 A 20 20 ASP N N 20 120.434 120.143 0.291 1
1 175 . 3 1 1 A 21 21 GLU H H 21 8.150 7.857 0.293 1
1 176 . 3 1 1 A 21 21 GLU HA H 21 4.168 4.074 0.094 1
1 181 . 3 1 1 A 21 21 GLU C C 21 179.405 179.054 0.351 1
1 182 . 3 1 1 A 21 21 GLU CA C 21 59.477 59.206 0.271 1
1 183 . 3 1 1 A 21 21 GLU CB C 21 29.441 29.160 0.281 1
1 185 . 3 1 1 A 21 21 GLU N N 21 122.159 117.751 4.408 1
1 186 . 3 1 1 A 22 22 VAL H H 22 8.754 8.249 0.505 1
1 187 . 3 1 1 A 22 22 VAL HA H 22 3.484 3.616 -0.132 1
1 195 . 3 1 1 A 22 22 VAL C C 22 179.177 178.138 1.039 1
1 196 . 3 1 1 A 22 22 VAL CA C 22 67.545 66.525 1.020 1
1 197 . 3 1 1 A 22 22 VAL CB C 22 31.712 31.708 0.004 1
1 200 . 3 1 1 A 22 22 VAL N N 22 121.967 121.567 0.400 1
1 201 . 3 1 1 A 23 23 THR H H 23 8.410 7.859 0.551 1
1 202 . 3 1 1 A 23 23 THR HA H 23 3.888 3.797 0.091 1
1 207 . 3 1 1 A 23 23 THR C C 23 176.515 176.100 0.415 1
1 208 . 3 1 1 A 23 23 THR CA C 23 66.706 66.681 0.025 1
1 209 . 3 1 1 A 23 23 THR CB C 23 68.646 68.462 0.184 1
1 211 . 3 1 1 A 23 23 THR N N 23 119.619 116.242 3.377 1
1 212 . 3 1 1 A 24 24 LYS H H 24 8.179 7.625 0.554 1
1 213 . 3 1 1 A 24 24 LYS HA H 24 4.055 3.844 0.211 1
1 219 . 3 1 1 A 24 24 LYS C C 24 179.223 178.611 0.612 1
1 220 . 3 1 1 A 24 24 LYS CA C 24 59.865 60.198 -0.333 1
1 221 . 3 1 1 A 24 24 LYS CB C 24 32.733 32.146 0.587 1
1 225 . 3 1 1 A 24 24 LYS N N 24 122.464 121.655 0.809 1
1 226 . 3 1 1 A 25 25 GLN H H 25 8.791 7.970 0.821 1
1 227 . 3 1 1 A 25 25 GLN HA H 25 4.266 3.990 0.276 1
1 234 . 3 1 1 A 25 25 GLN C C 25 178.359 178.772 -0.413 1
1 235 . 3 1 1 A 25 25 GLN CA C 25 57.273 59.362 -2.089 1
1 236 . 3 1 1 A 25 25 GLN CB C 25 26.830 28.766 -1.936 1
1 238 . 3 1 1 A 25 25 GLN N N 25 120.181 118.950 1.231 1
1 240 . 3 1 1 A 26 26 GLY H H 26 8.828 8.018 0.810 1
1 241 . 3 1 1 A 26 26 GLY HA2 H 26 4.099 3.837 0.262 1
1 242 . 3 1 1 A 26 26 GLY HA3 H 26 3.788 3.837 -0.049 1
1 243 . 3 1 1 A 26 26 GLY C C 26 176.618 176.102 0.516 1
1 244 . 3 1 1 A 26 26 GLY CA C 26 47.161 47.334 -0.173 1
1 245 . 3 1 1 A 26 26 GLY N N 26 108.597 107.557 1.040 1
1 246 . 3 1 1 A 27 27 ASN H H 27 7.910 7.522 0.388 1
1 247 . 3 1 1 A 27 27 ASN HA H 27 4.582 4.453 0.129 1
1 252 . 3 1 1 A 27 27 ASN C C 27 177.317 178.111 -0.794 1
1 253 . 3 1 1 A 27 27 ASN CA C 27 56.074 55.523 0.551 1
1 254 . 3 1 1 A 27 27 ASN CB C 27 37.729 38.038 -0.309 1
1 255 . 3 1 1 A 27 27 ASN N N 27 121.818 119.958 1.860 1
1 257 . 3 1 1 A 28 28 ILE H H 28 7.811 7.918 -0.107 1
1 258 . 3 1 1 A 28 28 ILE HA H 28 3.789 3.736 0.053 1
1 268 . 3 1 1 A 28 28 ILE C C 28 178.445 178.258 0.187 1
1 269 . 3 1 1 A 28 28 ILE CA C 28 65.117 64.721 0.396 1
1 270 . 3 1 1 A 28 28 ILE CB C 28 37.914 37.549 0.365 1
1 274 . 3 1 1 A 28 28 ILE N N 28 123.083 120.489 2.594 1
1 275 . 3 1 1 A 29 29 VAL H H 29 8.018 8.092 -0.074 1
1 276 . 3 1 1 A 29 29 VAL HA H 29 3.399 3.658 -0.259 1
1 284 . 3 1 1 A 29 29 VAL C C 29 176.953 178.249 -1.296 1
1 285 . 3 1 1 A 29 29 VAL CA C 29 67.541 66.961 0.580 1
1 286 . 3 1 1 A 29 29 VAL CB C 29 32.013 31.421 0.592 1
1 289 . 3 1 1 A 29 29 VAL N N 29 119.117 120.408 -1.291 1
1 290 . 3 1 1 A 30 30 ARG H H 30 7.965 7.930 0.035 1
1 291 . 3 1 1 A 30 30 ARG HA H 30 3.928 3.945 -0.017 1
1 298 . 3 1 1 A 30 30 ARG C C 30 179.609 178.383 1.226 1
1 299 . 3 1 1 A 30 30 ARG CA C 30 60.006 59.922 0.084 1
1 300 . 3 1 1 A 30 30 ARG CB C 30 30.302 29.727 0.575 1
1 303 . 3 1 1 A 30 30 ARG N N 30 118.510 119.729 -1.219 1
1 304 . 3 1 1 A 31 31 GLU H H 31 8.211 8.049 0.162 1
1 305 . 3 1 1 A 31 31 GLU HA H 31 4.167 4.078 0.089 1
1 310 . 3 1 1 A 31 31 GLU C C 31 178.910 179.115 -0.205 1
1 311 . 3 1 1 A 31 31 GLU CA C 31 59.195 59.132 0.063 1
1 312 . 3 1 1 A 31 31 GLU CB C 31 29.437 29.424 0.013 1
1 314 . 3 1 1 A 31 31 GLU N N 31 120.110 117.503 2.607 1
1 315 . 3 1 1 A 32 32 LEU H H 32 8.287 8.284 0.003 1
1 316 . 3 1 1 A 32 32 LEU HA H 32 4.021 3.936 0.085 1
1 326 . 3 1 1 A 32 32 LEU C C 32 179.931 179.185 0.746 1
1 327 . 3 1 1 A 32 32 LEU CA C 32 57.979 57.638 0.341 1
1 328 . 3 1 1 A 32 32 LEU CB C 32 42.524 41.727 0.797 1
1 332 . 3 1 1 A 32 32 LEU N N 32 120.148 121.424 -1.276 1
1 333 . 3 1 1 A 33 33 LYS H H 33 8.205 7.940 0.265 1
1 334 . 3 1 1 A 33 33 LYS HA H 33 4.048 4.054 -0.006 1
1 343 . 3 1 1 A 33 33 LYS C C 33 180.739 180.006 0.733 1
1 344 . 3 1 1 A 33 33 LYS CA C 33 59.883 59.649 0.234 1
1 345 . 3 1 1 A 33 33 LYS CB C 33 32.569 32.105 0.464 1
1 349 . 3 1 1 A 33 33 LYS N N 33 117.234 117.749 -0.515 1
1 350 . 3 1 1 A 34 34 ALA H H 34 8.101 8.035 0.066 1
1 351 . 3 1 1 A 34 34 ALA HA H 34 4.185 4.141 0.044 1
1 355 . 3 1 1 A 34 34 ALA C C 34 179.304 178.640 0.664 1
1 356 . 3 1 1 A 34 34 ALA CA C 34 54.734 54.199 0.535 1
1 357 . 3 1 1 A 34 34 ALA CB C 34 18.190 18.057 0.133 1
1 358 . 3 1 1 A 34 34 ALA N N 34 123.540 121.135 2.405 1
1 359 . 3 1 1 A 35 35 GLN H H 35 7.815 7.366 0.449 1
1 360 . 3 1 1 A 35 35 GLN HA H 35 4.299 4.436 -0.137 1
1 367 . 3 1 1 A 35 35 GLN C C 35 175.344 174.444 0.900 1
1 368 . 3 1 1 A 35 35 GLN CA C 35 55.342 55.239 0.103 1
1 369 . 3 1 1 A 35 35 GLN CB C 35 28.819 28.667 0.152 1
1 371 . 3 1 1 A 35 35 GLN N N 35 115.126 115.454 -0.328 1
1 373 . 3 1 1 A 36 36 LYS H H 36 7.948 7.882 0.066 1
1 374 . 3 1 1 A 36 36 LYS HA H 36 3.963 3.796 0.167 1
1 382 . 3 1 1 A 36 36 LYS C C 36 175.883 175.641 0.242 1
1 383 . 3 1 1 A 36 36 LYS CA C 36 56.872 57.181 -0.309 1
1 384 . 3 1 1 A 36 36 LYS CB C 36 28.917 29.716 -0.799 1
1 388 . 3 1 1 A 36 36 LYS N N 36 117.310 115.801 1.509 1
1 389 . 3 1 1 A 37 37 ALA H H 37 7.646 7.402 0.244 1
1 390 . 3 1 1 A 37 37 ALA HA H 37 4.226 4.239 -0.013 1
1 394 . 3 1 1 A 37 37 ALA C C 37 176.094 176.371 -0.277 1
1 395 . 3 1 1 A 37 37 ALA CA C 37 52.143 52.586 -0.443 1
1 396 . 3 1 1 A 37 37 ALA CB C 37 20.742 19.770 0.972 1
1 397 . 3 1 1 A 37 37 ALA N N 37 120.112 119.524 0.588 1
1 398 . 3 1 1 A 38 38 ASP H H 38 8.474 8.502 -0.028 1
1 399 . 3 1 1 A 38 38 ASP HA H 38 4.387 4.489 -0.102 1
1 402 . 3 1 1 A 38 38 ASP C C 38 177.481 177.284 0.197 1
1 403 . 3 1 1 A 38 38 ASP CA C 38 54.992 54.509 0.483 1
1 404 . 3 1 1 A 38 38 ASP CB C 38 43.156 42.390 0.766 1
1 405 . 3 1 1 A 38 38 ASP N N 38 119.141 121.402 -2.261 1
1 406 . 3 1 1 A 39 39 LYS H H 39 8.703 8.523 0.180 1
1 407 . 3 1 1 A 39 39 LYS HA H 39 3.967 3.972 -0.005 1
1 414 . 3 1 1 A 39 39 LYS C C 39 178.806 178.482 0.324 1
1 415 . 3 1 1 A 39 39 LYS CA C 39 59.547 60.041 -0.494 1
1 416 . 3 1 1 A 39 39 LYS CB C 39 32.222 32.216 0.006 1
1 420 . 3 1 1 A 39 39 LYS N N 39 124.290 126.875 -2.585 1
1 421 . 3 1 1 A 40 40 ASN H H 40 8.873 8.133 0.740 1
1 422 . 3 1 1 A 40 40 ASN HA H 40 4.571 4.459 0.112 1
1 427 . 3 1 1 A 40 40 ASN C C 40 178.014 177.999 0.015 1
1 428 . 3 1 1 A 40 40 ASN CA C 40 56.091 56.887 -0.796 1
1 429 . 3 1 1 A 40 40 ASN CB C 40 37.900 38.795 -0.895 1
1 430 . 3 1 1 A 40 40 ASN N N 40 119.722 118.215 1.507 1
1 432 . 3 1 1 A 41 41 GLU H H 41 7.881 8.137 -0.256 1
1 433 . 3 1 1 A 41 41 GLU HA H 41 4.192 4.076 0.116 1
1 438 . 3 1 1 A 41 41 GLU C C 41 178.917 178.929 -0.012 1
1 439 . 3 1 1 A 41 41 GLU CA C 41 59.213 58.952 0.261 1
1 440 . 3 1 1 A 41 41 GLU CB C 41 29.520 29.455 0.065 1
1 442 . 3 1 1 A 41 41 GLU N N 41 124.025 119.489 4.536 1
1 443 . 3 1 1 A 42 42 VAL H H 42 8.061 7.832 0.229 1
1 444 . 3 1 1 A 42 42 VAL HA H 42 3.397 3.659 -0.262 1
1 452 . 3 1 1 A 42 42 VAL C C 42 177.701 177.823 -0.122 1
1 453 . 3 1 1 A 42 42 VAL CA C 42 67.341 66.289 1.052 1
1 454 . 3 1 1 A 42 42 VAL CB C 42 32.075 31.275 0.800 1
1 457 . 3 1 1 A 42 42 VAL N N 42 117.921 120.080 -2.159 1
1 458 . 3 1 1 A 43 43 ALA H H 43 8.136 8.204 -0.068 1
1 459 . 3 1 1 A 43 43 ALA HA H 43 4.101 3.885 0.216 1
1 463 . 3 1 1 A 43 43 ALA C C 43 180.808 179.593 1.215 1
1 464 . 3 1 1 A 43 43 ALA CA C 43 55.404 55.572 -0.168 1
1 465 . 3 1 1 A 43 43 ALA CB C 43 17.722 18.420 -0.698 1
1 466 . 3 1 1 A 43 43 ALA N N 43 119.833 122.366 -2.533 1
1 467 . 3 1 1 A 44 44 ALA H H 44 7.664 7.735 -0.071 1
1 468 . 3 1 1 A 44 44 ALA HA H 44 4.234 4.028 0.206 1
1 472 . 3 1 1 A 44 44 ALA C C 44 180.953 179.814 1.139 1
1 473 . 3 1 1 A 44 44 ALA CA C 44 55.122 55.408 -0.286 1
1 474 . 3 1 1 A 44 44 ALA CB C 44 18.229 18.900 -0.671 1
1 475 . 3 1 1 A 44 44 ALA N N 44 121.026 119.424 1.602 1
1 476 . 3 1 1 A 45 45 GLU H H 45 7.837 7.575 0.262 1
1 477 . 3 1 1 A 45 45 GLU HA H 45 4.447 4.100 0.347 1
1 482 . 3 1 1 A 45 45 GLU C C 45 180.357 179.036 1.321 1
1 483 . 3 1 1 A 45 45 GLU CA C 45 57.467 59.519 -2.052 1
1 484 . 3 1 1 A 45 45 GLU CB C 45 28.255 30.098 -1.843 1
1 486 . 3 1 1 A 45 45 GLU N N 45 118.409 118.281 0.128 1
1 487 . 3 1 1 A 46 46 VAL H H 46 9.024 7.847 1.177 1
1 488 . 3 1 1 A 46 46 VAL HA H 46 3.638 3.688 -0.050 1
1 496 . 3 1 1 A 46 46 VAL C C 46 177.712 178.391 -0.679 1
1 497 . 3 1 1 A 46 46 VAL CA C 46 66.961 65.684 1.277 1
1 498 . 3 1 1 A 46 46 VAL CB C 46 31.910 31.602 0.308 1
1 501 . 3 1 1 A 46 46 VAL N N 46 124.975 120.107 4.868 1
1 502 . 3 1 1 A 47 47 ALA H H 47 8.130 8.420 -0.290 1
1 503 . 3 1 1 A 47 47 ALA HA H 47 4.093 4.031 0.062 1
1 507 . 3 1 1 A 47 47 ALA C C 47 180.853 179.683 1.170 1
1 508 . 3 1 1 A 47 47 ALA CA C 47 55.545 55.151 0.394 1
1 509 . 3 1 1 A 47 47 ALA CB C 47 17.683 18.244 -0.561 1
1 510 . 3 1 1 A 47 47 ALA N N 47 122.493 121.608 0.885 1
1 511 . 3 1 1 A 48 48 LYS H H 48 7.442 8.320 -0.878 1
1 512 . 3 1 1 A 48 48 LYS HA H 48 4.183 4.112 0.071 1
1 521 . 3 1 1 A 48 48 LYS C C 48 178.698 179.047 -0.349 1
1 522 . 3 1 1 A 48 48 LYS CA C 48 59.389 58.813 0.576 1
1 523 . 3 1 1 A 48 48 LYS CB C 48 32.610 32.151 0.459 1
1 527 . 3 1 1 A 48 48 LYS N N 48 118.186 116.283 1.903 1
1 528 . 3 1 1 A 49 49 LEU H H 49 7.822 7.692 0.130 1
1 529 . 3 1 1 A 49 49 LEU HA H 49 4.012 4.094 -0.082 1
1 539 . 3 1 1 A 49 49 LEU C C 49 177.582 178.586 -1.004 1
1 540 . 3 1 1 A 49 49 LEU CA C 49 58.490 57.822 0.668 1
1 541 . 3 1 1 A 49 49 LEU CB C 49 42.119 41.775 0.344 1
1 545 . 3 1 1 A 49 49 LEU N N 49 120.499 121.519 -1.020 1
1 546 . 3 1 1 A 50 50 LEU H H 50 8.565 7.950 0.615 1
1 547 . 3 1 1 A 50 50 LEU HA H 50 3.994 3.938 0.056 1
1 557 . 3 1 1 A 50 50 LEU C C 50 180.128 179.191 0.937 1
1 558 . 3 1 1 A 50 50 LEU CA C 50 58.330 58.012 0.318 1
1 559 . 3 1 1 A 50 50 LEU CB C 50 41.060 41.236 -0.176 1
1 563 . 3 1 1 A 50 50 LEU N N 50 118.622 118.160 0.462 1
1 564 . 3 1 1 A 51 51 ASP H H 51 7.962 8.019 -0.057 1
1 565 . 3 1 1 A 51 51 ASP HA H 51 4.480 4.407 0.073 1
1 568 . 3 1 1 A 51 51 ASP C C 51 178.808 178.720 0.088 1
1 569 . 3 1 1 A 51 51 ASP CA C 51 57.802 56.971 0.831 1
1 570 . 3 1 1 A 51 51 ASP CB C 51 41.435 40.883 0.552 1
1 571 . 3 1 1 A 51 51 ASP N N 51 120.483 120.153 0.330 1
1 572 . 3 1 1 A 52 52 LEU H H 52 8.228 8.151 0.077 1
1 573 . 3 1 1 A 52 52 LEU HA H 52 4.006 3.896 0.110 1
1 583 . 3 1 1 A 52 52 LEU C C 52 179.173 178.884 0.289 1
1 584 . 3 1 1 A 52 52 LEU CA C 52 58.190 57.819 0.371 1
1 585 . 3 1 1 A 52 52 LEU CB C 52 43.222 41.721 1.501 1
1 589 . 3 1 1 A 52 52 LEU N N 52 121.105 120.624 0.481 1
1 590 . 3 1 1 A 53 53 LYS H H 53 8.531 8.051 0.480 1
1 591 . 3 1 1 A 53 53 LYS HA H 53 3.872 3.918 -0.046 1
1 600 . 3 1 1 A 53 53 LYS C C 53 179.984 179.253 0.731 1
1 601 . 3 1 1 A 53 53 LYS CA C 53 60.699 60.153 0.546 1
1 602 . 3 1 1 A 53 53 LYS CB C 53 32.239 32.388 -0.149 1
1 606 . 3 1 1 A 53 53 LYS N N 53 118.013 116.685 1.328 1
1 607 . 3 1 1 A 54 54 LYS H H 54 8.090 7.706 0.384 1
1 608 . 3 1 1 A 54 54 LYS HA H 54 4.165 4.096 0.069 1
1 616 . 3 1 1 A 54 54 LYS C C 54 178.638 179.185 -0.547 1
1 617 . 3 1 1 A 54 54 LYS CA C 54 59.847 59.620 0.227 1
1 618 . 3 1 1 A 54 54 LYS CB C 54 32.116 32.389 -0.273 1
1 622 . 3 1 1 A 54 54 LYS N N 54 122.616 119.562 3.054 1
1 623 . 3 1 1 A 55 55 GLN H H 55 8.214 8.082 0.132 1
1 624 . 3 1 1 A 55 55 GLN HA H 55 3.976 4.044 -0.068 1
1 631 . 3 1 1 A 55 55 GLN C C 55 179.696 177.915 1.781 1
1 632 . 3 1 1 A 55 55 GLN CA C 55 59.177 58.771 0.406 1
1 633 . 3 1 1 A 55 55 GLN CB C 55 29.400 28.262 1.138 1
1 635 . 3 1 1 A 55 55 GLN N N 55 119.132 119.056 0.076 1
1 637 . 3 1 1 A 56 56 LEU H H 56 8.506 7.925 0.581 1
1 638 . 3 1 1 A 56 56 LEU HA H 56 4.116 4.152 -0.036 1
1 648 . 3 1 1 A 56 56 LEU C C 56 176.782 178.149 -1.367 1
1 649 . 3 1 1 A 56 56 LEU CA C 56 57.925 57.833 0.092 1
1 650 . 3 1 1 A 56 56 LEU CB C 56 41.465 42.034 -0.569 1
1 654 . 3 1 1 A 56 56 LEU N N 56 122.033 121.664 0.369 1
1 655 . 3 1 1 A 57 57 ALA H H 57 7.896 8.586 -0.690 1
1 656 . 3 1 1 A 57 57 ALA HA H 57 4.232 4.272 -0.040 1
1 660 . 3 1 1 A 57 57 ALA C C 57 180.928 179.780 1.148 1
1 661 . 3 1 1 A 57 57 ALA CA C 57 55.246 55.365 -0.119 1
1 662 . 3 1 1 A 57 57 ALA CB C 57 17.776 18.642 -0.866 1
1 663 . 3 1 1 A 57 57 ALA N N 57 121.379 120.732 0.647 1
1 664 . 3 1 1 A 58 58 VAL H H 58 7.973 8.500 -0.527 1
1 665 . 3 1 1 A 58 58 VAL HA H 58 3.761 3.624 0.137 1
1 673 . 3 1 1 A 58 58 VAL C C 58 179.410 178.226 1.184 1
1 674 . 3 1 1 A 58 58 VAL CA C 58 65.807 66.680 -0.873 1
1 675 . 3 1 1 A 58 58 VAL CB C 58 31.978 31.754 0.224 1
1 678 . 3 1 1 A 58 58 VAL N N 58 117.592 117.966 -0.374 1
1 679 . 3 1 1 A 59 59 ALA H H 59 8.024 8.260 -0.236 1
1 680 . 3 1 1 A 59 59 ALA HA H 59 4.133 3.882 0.251 1
1 684 . 3 1 1 A 59 59 ALA C C 59 179.359 179.846 -0.487 1
1 685 . 3 1 1 A 59 59 ALA CA C 59 54.805 55.922 -1.117 1
1 686 . 3 1 1 A 59 59 ALA CB C 59 18.513 18.381 0.132 1
1 687 . 3 1 1 A 59 59 ALA N N 59 124.023 121.921 2.102 1
1 688 . 3 1 1 A 60 60 GLU H H 60 8.334 7.812 0.522 1
1 689 . 3 1 1 A 60 60 GLU HA H 60 4.143 4.102 0.041 1
1 694 . 3 1 1 A 60 60 GLU C C 60 177.391 176.500 0.891 1
1 695 . 3 1 1 A 60 60 GLU CA C 60 57.915 58.496 -0.581 1
1 696 . 3 1 1 A 60 60 GLU CB C 60 30.962 30.076 0.886 1
1 698 . 3 1 1 A 60 60 GLU N N 60 115.335 117.364 -2.029 1
1 699 . 3 1 1 A 61 61 GLY H H 61 7.845 7.616 0.229 1
1 700 . 3 1 1 A 61 61 GLY HA2 H 61 3.958 4.030 -0.072 1
1 701 . 3 1 1 A 61 61 GLY HA3 H 61 3.958 4.030 -0.072 1
1 702 . 3 1 1 A 61 61 GLY C C 61 174.090 174.820 -0.730 1
1 703 . 3 1 1 A 61 61 GLY CA C 61 45.654 45.473 0.181 1
1 704 . 3 1 1 A 61 61 GLY N N 61 107.486 107.037 0.449 1
1 705 . 3 1 1 A 62 62 LYS H H 62 8.068 7.829 0.239 1
1 706 . 3 1 1 A 62 62 LYS HA H 62 4.612 4.277 0.335 1
1 715 . 3 1 1 A 62 62 LYS C C 62 174.023 174.555 -0.532 1
1 716 . 3 1 1 A 62 62 LYS CA C 62 54.147 55.172 -1.025 1
1 717 . 3 1 1 A 62 62 LYS CB C 62 32.651 32.013 0.638 1
1 721 . 3 1 1 A 62 62 LYS N N 62 121.672 121.479 0.193 1
1 722 . 3 1 1 A 63 63 PRO HA H 63 4.692 4.621 0.071 1
1 729 . 3 1 1 A 63 63 PRO CA C 63 61.351 61.626 -0.275 1
1 730 . 3 1 1 A 63 63 PRO CB C 63 30.892 31.545 -0.653 1
1 733 . 3 1 1 A 64 64 PRO HA H 64 4.408 4.607 -0.199 1
1 740 . 3 1 1 A 64 64 PRO C C 64 176.775 176.442 0.333 1
1 741 . 3 1 1 A 64 64 PRO CA C 64 62.926 62.269 0.657 1
1 742 . 3 1 1 A 64 64 PRO CB C 64 32.074 33.327 -1.253 1
1 745 . 3 1 1 A 65 65 GLU H H 65 8.396 8.655 -0.259 1
1 746 . 3 1 1 A 65 65 GLU HA H 65 4.243 4.430 -0.187 1
1 751 . 3 1 1 A 65 65 GLU C C 65 175.888 176.553 -0.665 1
1 752 . 3 1 1 A 65 65 GLU CA C 65 56.083 55.963 0.120 1
1 753 . 3 1 1 A 65 65 GLU CB C 65 30.722 28.253 2.469 1
1 755 . 3 1 1 A 65 65 GLU N N 65 121.093 120.259 0.834 1
1 756 . 3 1 1 A 66 66 ALA H H 66 8.434 8.302 0.132 1
1 757 . 3 1 1 A 66 66 ALA HA H 66 4.583 4.128 0.455 1
1 761 . 3 1 1 A 66 66 ALA C C 66 175.504 175.593 -0.089 1
1 762 . 3 1 1 A 66 66 ALA CA C 66 50.482 56.907 -6.425 1
1 763 . 3 1 1 A 66 66 ALA CB C 66 18.108 17.462 0.646 1
1 764 . 3 1 1 A 66 66 ALA N N 66 127.348 124.360 2.988 1
1 765 . 3 1 1 A 67 67 PRO HA H 67 4.408 4.280 0.128 1
1 772 . 3 1 1 A 67 67 PRO C C 67 177.111 177.741 -0.630 1
1 773 . 3 1 1 A 67 67 PRO CA C 67 63.056 66.168 -3.112 1
1 774 . 3 1 1 A 67 67 PRO CB C 67 32.074 30.726 1.348 1
1 777 . 3 1 1 A 68 68 LYS H H 68 8.479 8.185 0.294 1
1 778 . 3 1 1 A 68 68 LYS HA H 68 4.291 4.378 -0.087 1
1 787 . 3 1 1 A 68 68 LYS C C 68 177.292 177.207 0.085 1
1 788 . 3 1 1 A 68 68 LYS CA C 68 56.322 54.970 1.352 1
1 789 . 3 1 1 A 68 68 LYS CB C 68 33.146 30.837 2.309 1
1 793 . 3 1 1 A 68 68 LYS N N 68 121.836 117.268 4.568 1
1 794 . 3 1 1 A 69 69 GLY H H 69 8.387 8.424 -0.037 1
1 795 . 3 1 1 A 69 69 GLY HA2 H 69 3.948 3.943 0.005 1
1 796 . 3 1 1 A 69 69 GLY HA3 H 69 3.948 3.943 0.005 1
1 797 . 3 1 1 A 69 69 GLY C C 69 173.940 173.720 0.220 1
1 798 . 3 1 1 A 69 69 GLY CA C 69 45.160 46.183 -1.023 1
1 799 . 3 1 1 A 69 69 GLY N N 69 109.796 113.480 -3.684 1
1 800 . 3 1 1 A 70 70 LYS H H 70 8.196 7.579 0.617 1
1 801 . 3 1 1 A 70 70 LYS HA H 70 4.318 4.183 0.135 1
1 810 . 3 1 1 A 70 70 LYS C C 70 176.642 175.271 1.371 1
1 811 . 3 1 1 A 70 70 LYS CA C 70 56.127 56.783 -0.656 1
1 812 . 3 1 1 A 70 70 LYS CB C 70 33.272 33.121 0.151 1
1 816 . 3 1 1 A 70 70 LYS N N 70 121.044 122.987 -1.943 1
1 817 . 3 1 1 A 71 71 LYS H H 71 8.348 8.474 -0.126 1
1 818 . 3 1 1 A 71 71 LYS HA H 71 4.273 4.999 -0.726 1
1 827 . 3 1 1 A 71 71 LYS C C 71 176.548 175.993 0.555 1
1 828 . 3 1 1 A 71 71 LYS CA C 71 56.285 54.631 1.654 1
1 829 . 3 1 1 A 71 71 LYS CB C 71 33.270 35.205 -1.935 1
1 833 . 3 1 1 A 71 71 LYS N N 71 123.152 126.822 -3.670 1
1 834 . 3 1 1 A 72 72 LYS H H 72 8.405 9.056 -0.651 1
1 835 . 3 1 1 A 72 72 LYS HA H 72 4.273 4.465 -0.192 1
1 836 . 3 1 1 A 72 72 LYS C C 72 176.499 175.419 1.080 1
1 837 . 3 1 1 A 72 72 LYS CA C 72 56.356 57.427 -1.071 1
1 838 . 3 1 1 A 72 72 LYS CB C 72 33.146 34.620 -1.474 1
1 1 . 4 1 1 A 7 7 GLY HA2 H 7 4.042 4.040 0.002 1
1 2 . 4 1 1 A 7 7 GLY HA3 H 7 4.042 4.040 0.002 1
1 3 . 4 1 1 A 7 7 GLY C C 7 174.377 174.492 -0.115 1
1 4 . 4 1 1 A 7 7 GLY CA C 7 45.425 45.346 0.079 1
1 5 . 4 1 1 A 8 8 THR H H 8 8.131 7.807 0.324 1
1 6 . 4 1 1 A 8 8 THR HA H 8 4.448 4.366 0.082 1
1 11 . 4 1 1 A 8 8 THR C C 8 174.773 173.984 0.789 1
1 12 . 4 1 1 A 8 8 THR CA C 8 61.787 62.477 -0.690 1
1 13 . 4 1 1 A 8 8 THR CB C 8 69.913 69.736 0.177 1
1 15 . 4 1 1 A 8 8 THR N N 8 113.630 116.023 -2.393 1
1 16 . 4 1 1 A 9 9 THR H H 9 8.180 8.438 -0.258 1
1 17 . 4 1 1 A 9 9 THR HA H 9 4.355 4.751 -0.396 1
1 22 . 4 1 1 A 9 9 THR C C 9 174.203 173.514 0.689 1
1 23 . 4 1 1 A 9 9 THR CA C 9 61.892 61.893 -0.001 1
1 24 . 4 1 1 A 9 9 THR CB C 9 69.891 69.716 0.175 1
1 26 . 4 1 1 A 9 9 THR N N 9 116.604 122.049 -5.445 1
1 27 . 4 1 1 A 10 10 ALA H H 10 8.405 8.399 0.006 1
1 28 . 4 1 1 A 10 10 ALA HA H 10 4.376 4.808 -0.432 1
1 32 . 4 1 1 A 10 10 ALA C C 10 177.430 177.581 -0.151 1
1 33 . 4 1 1 A 10 10 ALA CA C 10 52.317 50.318 1.999 1
1 34 . 4 1 1 A 10 10 ALA CB C 10 19.506 21.616 -2.110 1
1 35 . 4 1 1 A 10 10 ALA N N 10 126.934 129.914 -2.980 1
1 36 . 4 1 1 A 11 11 LYS H H 11 8.462 9.031 -0.569 1
1 37 . 4 1 1 A 11 11 LYS HA H 11 4.575 3.980 0.595 1
1 46 . 4 1 1 A 11 11 LYS C C 11 174.921 176.382 -1.461 1
1 47 . 4 1 1 A 11 11 LYS CA C 11 55.122 61.455 -6.333 1
1 48 . 4 1 1 A 11 11 LYS CB C 11 31.910 30.570 1.340 1
1 52 . 4 1 1 A 11 11 LYS N N 11 121.526 120.641 0.885 1
1 53 . 4 1 1 A 12 12 PRO HA H 12 4.363 4.419 -0.056 1
1 60 . 4 1 1 A 12 12 PRO C C 12 178.290 178.069 0.221 1
1 61 . 4 1 1 A 12 12 PRO CA C 12 64.502 64.883 -0.381 1
1 62 . 4 1 1 A 12 12 PRO CB C 12 31.992 31.394 0.598 1
1 65 . 4 1 1 A 13 13 GLN H H 13 8.665 8.257 0.408 1
1 66 . 4 1 1 A 13 13 GLN HA H 13 4.158 4.302 -0.144 1
1 73 . 4 1 1 A 13 13 GLN C C 13 177.727 177.807 -0.080 1
1 74 . 4 1 1 A 13 13 GLN CA C 13 58.366 58.784 -0.418 1
1 75 . 4 1 1 A 13 13 GLN CB C 13 28.584 29.662 -1.078 1
1 77 . 4 1 1 A 13 13 GLN N N 13 119.964 116.787 3.177 1
1 79 . 4 1 1 A 14 14 GLN H H 14 8.376 8.505 -0.129 1
1 80 . 4 1 1 A 14 14 GLN HA H 14 4.217 4.119 0.098 1
1 87 . 4 1 1 A 14 14 GLN C C 14 178.304 177.907 0.397 1
1 88 . 4 1 1 A 14 14 GLN CA C 14 58.190 58.180 0.010 1
1 89 . 4 1 1 A 14 14 GLN CB C 14 28.639 28.037 0.602 1
1 91 . 4 1 1 A 14 14 GLN N N 14 120.039 117.600 2.439 1
1 93 . 4 1 1 A 15 15 ILE H H 15 7.802 7.502 0.300 1
1 94 . 4 1 1 A 15 15 ILE HA H 15 3.654 3.633 0.021 1
1 104 . 4 1 1 A 15 15 ILE C C 15 177.183 177.960 -0.777 1
1 105 . 4 1 1 A 15 15 ILE CA C 15 64.643 64.962 -0.319 1
1 106 . 4 1 1 A 15 15 ILE CB C 15 37.828 37.691 0.137 1
1 110 . 4 1 1 A 15 15 ILE N N 15 119.981 121.334 -1.353 1
1 111 . 4 1 1 A 16 16 GLN H H 16 8.159 8.017 0.142 1
1 112 . 4 1 1 A 16 16 GLN HA H 16 3.958 3.983 -0.025 1
1 119 . 4 1 1 A 16 16 GLN C C 16 177.647 178.179 -0.532 1
1 120 . 4 1 1 A 16 16 GLN CA C 16 58.648 59.075 -0.427 1
1 121 . 4 1 1 A 16 16 GLN CB C 16 28.531 28.637 -0.106 1
1 123 . 4 1 1 A 16 16 GLN N N 16 119.695 120.063 -0.368 1
1 125 . 4 1 1 A 17 17 ALA H H 17 7.946 8.027 -0.081 1
1 126 . 4 1 1 A 17 17 ALA HA H 17 4.239 4.118 0.121 1
1 130 . 4 1 1 A 17 17 ALA C C 17 180.910 179.693 1.217 1
1 131 . 4 1 1 A 17 17 ALA CA C 17 55.106 54.514 0.592 1
1 132 . 4 1 1 A 17 17 ALA CB C 17 17.990 18.482 -0.492 1
1 133 . 4 1 1 A 17 17 ALA N N 17 120.227 120.967 -0.740 1
1 134 . 4 1 1 A 18 18 LEU H H 18 7.682 7.811 -0.129 1
1 135 . 4 1 1 A 18 18 LEU HA H 18 4.187 4.152 0.035 1
1 145 . 4 1 1 A 18 18 LEU C C 18 178.977 178.843 0.134 1
1 146 . 4 1 1 A 18 18 LEU CA C 18 57.890 57.709 0.181 1
1 147 . 4 1 1 A 18 18 LEU CB C 18 43.361 42.013 1.348 1
1 151 . 4 1 1 A 18 18 LEU N N 18 119.764 119.273 0.491 1
1 152 . 4 1 1 A 19 19 MET H H 19 8.699 8.684 0.015 1
1 153 . 4 1 1 A 19 19 MET HA H 19 3.965 4.067 -0.102 1
1 161 . 4 1 1 A 19 19 MET C C 19 179.207 178.004 1.203 1
1 162 . 4 1 1 A 19 19 MET CA C 19 59.794 58.998 0.796 1
1 163 . 4 1 1 A 19 19 MET CB C 19 32.445 32.642 -0.197 1
1 166 . 4 1 1 A 19 19 MET N N 19 119.982 116.381 3.601 1
1 167 . 4 1 1 A 20 20 ASP H H 20 8.435 8.133 0.302 1
1 168 . 4 1 1 A 20 20 ASP HA H 20 4.453 4.291 0.162 1
1 171 . 4 1 1 A 20 20 ASP C C 20 179.127 177.935 1.192 1
1 172 . 4 1 1 A 20 20 ASP CA C 20 57.449 57.247 0.202 1
1 173 . 4 1 1 A 20 20 ASP CB C 20 39.986 41.481 -1.495 1
1 174 . 4 1 1 A 20 20 ASP N N 20 120.434 120.575 -0.141 1
1 175 . 4 1 1 A 21 21 GLU H H 21 8.150 8.256 -0.106 1
1 176 . 4 1 1 A 21 21 GLU HA H 21 4.168 4.095 0.073 1
1 181 . 4 1 1 A 21 21 GLU C C 21 179.405 178.951 0.454 1
1 182 . 4 1 1 A 21 21 GLU CA C 21 59.477 59.208 0.269 1
1 183 . 4 1 1 A 21 21 GLU CB C 21 29.441 29.393 0.048 1
1 185 . 4 1 1 A 21 21 GLU N N 21 122.159 117.703 4.456 1
1 186 . 4 1 1 A 22 22 VAL H H 22 8.754 8.286 0.468 1
1 187 . 4 1 1 A 22 22 VAL HA H 22 3.484 3.679 -0.195 1
1 195 . 4 1 1 A 22 22 VAL C C 22 179.177 178.685 0.492 1
1 196 . 4 1 1 A 22 22 VAL CA C 22 67.545 66.125 1.420 1
1 197 . 4 1 1 A 22 22 VAL CB C 22 31.712 31.562 0.150 1
1 200 . 4 1 1 A 22 22 VAL N N 22 121.967 121.204 0.763 1
1 201 . 4 1 1 A 23 23 THR H H 23 8.410 8.102 0.308 1
1 202 . 4 1 1 A 23 23 THR HA H 23 3.888 3.890 -0.002 1
1 207 . 4 1 1 A 23 23 THR C C 23 176.515 175.963 0.552 1
1 208 . 4 1 1 A 23 23 THR CA C 23 66.706 67.014 -0.308 1
1 209 . 4 1 1 A 23 23 THR CB C 23 68.646 68.728 -0.082 1
1 211 . 4 1 1 A 23 23 THR N N 23 119.619 117.168 2.451 1
1 212 . 4 1 1 A 24 24 LYS H H 24 8.179 7.968 0.211 1
1 213 . 4 1 1 A 24 24 LYS HA H 24 4.055 3.899 0.156 1
1 219 . 4 1 1 A 24 24 LYS C C 24 179.223 178.490 0.733 1
1 220 . 4 1 1 A 24 24 LYS CA C 24 59.865 59.742 0.123 1
1 221 . 4 1 1 A 24 24 LYS CB C 24 32.733 32.570 0.163 1
1 225 . 4 1 1 A 24 24 LYS N N 24 122.464 121.091 1.373 1
1 226 . 4 1 1 A 25 25 GLN H H 25 8.791 8.275 0.516 1
1 227 . 4 1 1 A 25 25 GLN HA H 25 4.266 3.981 0.285 1
1 234 . 4 1 1 A 25 25 GLN C C 25 178.359 178.736 -0.377 1
1 235 . 4 1 1 A 25 25 GLN CA C 25 57.273 59.465 -2.192 1
1 236 . 4 1 1 A 25 25 GLN CB C 25 26.830 28.776 -1.946 1
1 238 . 4 1 1 A 25 25 GLN N N 25 120.181 118.613 1.568 1
1 240 . 4 1 1 A 26 26 GLY H H 26 8.828 8.168 0.660 1
1 241 . 4 1 1 A 26 26 GLY HA2 H 26 4.099 3.767 0.332 1
1 242 . 4 1 1 A 26 26 GLY HA3 H 26 3.788 3.767 0.021 1
1 243 . 4 1 1 A 26 26 GLY C C 26 176.618 175.987 0.631 1
1 244 . 4 1 1 A 26 26 GLY CA C 26 47.161 47.405 -0.244 1
1 245 . 4 1 1 A 26 26 GLY N N 26 108.597 107.576 1.021 1
1 246 . 4 1 1 A 27 27 ASN H H 27 7.910 7.678 0.232 1
1 247 . 4 1 1 A 27 27 ASN HA H 27 4.582 4.427 0.155 1
1 252 . 4 1 1 A 27 27 ASN C C 27 177.317 177.754 -0.437 1
1 253 . 4 1 1 A 27 27 ASN CA C 27 56.074 55.791 0.283 1
1 254 . 4 1 1 A 27 27 ASN CB C 27 37.729 38.208 -0.479 1
1 255 . 4 1 1 A 27 27 ASN N N 27 121.818 119.122 2.696 1
1 257 . 4 1 1 A 28 28 ILE H H 28 7.811 8.093 -0.282 1
1 258 . 4 1 1 A 28 28 ILE HA H 28 3.789 3.683 0.106 1
1 268 . 4 1 1 A 28 28 ILE C C 28 178.445 178.539 -0.094 1
1 269 . 4 1 1 A 28 28 ILE CA C 28 65.117 65.159 -0.042 1
1 270 . 4 1 1 A 28 28 ILE CB C 28 37.914 37.645 0.269 1
1 274 . 4 1 1 A 28 28 ILE N N 28 123.083 119.941 3.142 1
1 275 . 4 1 1 A 29 29 VAL H H 29 8.018 8.212 -0.194 1
1 276 . 4 1 1 A 29 29 VAL HA H 29 3.399 3.631 -0.232 1
1 284 . 4 1 1 A 29 29 VAL C C 29 176.953 177.984 -1.031 1
1 285 . 4 1 1 A 29 29 VAL CA C 29 67.541 66.719 0.822 1
1 286 . 4 1 1 A 29 29 VAL CB C 29 32.013 31.481 0.532 1
1 289 . 4 1 1 A 29 29 VAL N N 29 119.117 120.640 -1.523 1
1 290 . 4 1 1 A 30 30 ARG H H 30 7.965 8.135 -0.170 1
1 291 . 4 1 1 A 30 30 ARG HA H 30 3.928 3.924 0.004 1
1 298 . 4 1 1 A 30 30 ARG C C 30 179.609 178.181 1.428 1
1 299 . 4 1 1 A 30 30 ARG CA C 30 60.006 59.959 0.047 1
1 300 . 4 1 1 A 30 30 ARG CB C 30 30.302 30.064 0.238 1
1 303 . 4 1 1 A 30 30 ARG N N 30 118.510 119.775 -1.265 1
1 304 . 4 1 1 A 31 31 GLU H H 31 8.211 8.234 -0.023 1
1 305 . 4 1 1 A 31 31 GLU HA H 31 4.167 4.073 0.094 1
1 310 . 4 1 1 A 31 31 GLU C C 31 178.910 179.142 -0.232 1
1 311 . 4 1 1 A 31 31 GLU CA C 31 59.195 59.112 0.083 1
1 312 . 4 1 1 A 31 31 GLU CB C 31 29.437 29.418 0.019 1
1 314 . 4 1 1 A 31 31 GLU N N 31 120.110 117.421 2.689 1
1 315 . 4 1 1 A 32 32 LEU H H 32 8.287 8.105 0.182 1
1 316 . 4 1 1 A 32 32 LEU HA H 32 4.021 3.940 0.081 1
1 326 . 4 1 1 A 32 32 LEU C C 32 179.931 179.556 0.375 1
1 327 . 4 1 1 A 32 32 LEU CA C 32 57.979 58.055 -0.076 1
1 328 . 4 1 1 A 32 32 LEU CB C 32 42.524 41.639 0.885 1
1 332 . 4 1 1 A 32 32 LEU N N 32 120.148 121.151 -1.003 1
1 333 . 4 1 1 A 33 33 LYS H H 33 8.205 7.715 0.490 1
1 334 . 4 1 1 A 33 33 LYS HA H 33 4.048 4.076 -0.028 1
1 343 . 4 1 1 A 33 33 LYS C C 33 180.739 179.764 0.975 1
1 344 . 4 1 1 A 33 33 LYS CA C 33 59.883 59.440 0.443 1
1 345 . 4 1 1 A 33 33 LYS CB C 33 32.569 32.344 0.225 1
1 349 . 4 1 1 A 33 33 LYS N N 33 117.234 118.046 -0.812 1
1 350 . 4 1 1 A 34 34 ALA H H 34 8.101 7.913 0.188 1
1 351 . 4 1 1 A 34 34 ALA HA H 34 4.185 4.061 0.124 1
1 355 . 4 1 1 A 34 34 ALA C C 34 179.304 178.228 1.076 1
1 356 . 4 1 1 A 34 34 ALA CA C 34 54.734 54.523 0.211 1
1 357 . 4 1 1 A 34 34 ALA CB C 34 18.190 18.027 0.163 1
1 358 . 4 1 1 A 34 34 ALA N N 34 123.540 121.520 2.020 1
1 359 . 4 1 1 A 35 35 GLN H H 35 7.815 7.957 -0.142 1
1 360 . 4 1 1 A 35 35 GLN HA H 35 4.299 4.233 0.066 1
1 367 . 4 1 1 A 35 35 GLN C C 35 175.344 176.286 -0.942 1
1 368 . 4 1 1 A 35 35 GLN CA C 35 55.342 54.803 0.539 1
1 369 . 4 1 1 A 35 35 GLN CB C 35 28.819 27.524 1.295 1
1 371 . 4 1 1 A 35 35 GLN N N 35 115.126 113.452 1.674 1
1 373 . 4 1 1 A 36 36 LYS H H 36 7.948 7.906 0.042 1
1 374 . 4 1 1 A 36 36 LYS HA H 36 3.963 3.991 -0.028 1
1 382 . 4 1 1 A 36 36 LYS C C 36 175.883 175.860 0.023 1
1 383 . 4 1 1 A 36 36 LYS CA C 36 56.872 57.110 -0.238 1
1 384 . 4 1 1 A 36 36 LYS CB C 36 28.917 30.197 -1.280 1
1 388 . 4 1 1 A 36 36 LYS N N 36 117.310 117.829 -0.519 1
1 389 . 4 1 1 A 37 37 ALA H H 37 7.646 7.379 0.267 1
1 390 . 4 1 1 A 37 37 ALA HA H 37 4.226 4.243 -0.017 1
1 394 . 4 1 1 A 37 37 ALA C C 37 176.094 176.489 -0.395 1
1 395 . 4 1 1 A 37 37 ALA CA C 37 52.143 52.584 -0.441 1
1 396 . 4 1 1 A 37 37 ALA CB C 37 20.742 19.616 1.126 1
1 397 . 4 1 1 A 37 37 ALA N N 37 120.112 123.022 -2.910 1
1 398 . 4 1 1 A 38 38 ASP H H 38 8.474 8.416 0.058 1
1 399 . 4 1 1 A 38 38 ASP HA H 38 4.387 4.473 -0.086 1
1 402 . 4 1 1 A 38 38 ASP C C 38 177.481 177.155 0.326 1
1 403 . 4 1 1 A 38 38 ASP CA C 38 54.992 54.609 0.383 1
1 404 . 4 1 1 A 38 38 ASP CB C 38 43.156 42.235 0.921 1
1 405 . 4 1 1 A 38 38 ASP N N 38 119.141 121.278 -2.137 1
1 406 . 4 1 1 A 39 39 LYS H H 39 8.703 8.923 -0.220 1
1 407 . 4 1 1 A 39 39 LYS HA H 39 3.967 3.801 0.166 1
1 414 . 4 1 1 A 39 39 LYS C C 39 178.806 178.400 0.406 1
1 415 . 4 1 1 A 39 39 LYS CA C 39 59.547 60.459 -0.912 1
1 416 . 4 1 1 A 39 39 LYS CB C 39 32.222 32.301 -0.079 1
1 420 . 4 1 1 A 39 39 LYS N N 39 124.290 127.481 -3.191 1
1 421 . 4 1 1 A 40 40 ASN H H 40 8.873 8.355 0.518 1
1 422 . 4 1 1 A 40 40 ASN HA H 40 4.571 4.349 0.222 1
1 427 . 4 1 1 A 40 40 ASN C C 40 178.014 178.119 -0.105 1
1 428 . 4 1 1 A 40 40 ASN CA C 40 56.091 56.578 -0.487 1
1 429 . 4 1 1 A 40 40 ASN CB C 40 37.900 37.834 0.066 1
1 430 . 4 1 1 A 40 40 ASN N N 40 119.722 116.689 3.033 1
1 432 . 4 1 1 A 41 41 GLU H H 41 7.881 8.234 -0.353 1
1 433 . 4 1 1 A 41 41 GLU HA H 41 4.192 4.007 0.185 1
1 438 . 4 1 1 A 41 41 GLU C C 41 178.917 179.373 -0.456 1
1 439 . 4 1 1 A 41 41 GLU CA C 41 59.213 59.451 -0.238 1
1 440 . 4 1 1 A 41 41 GLU CB C 41 29.520 29.305 0.215 1
1 442 . 4 1 1 A 41 41 GLU N N 41 124.025 119.149 4.876 1
1 443 . 4 1 1 A 42 42 VAL H H 42 8.061 8.364 -0.303 1
1 444 . 4 1 1 A 42 42 VAL HA H 42 3.397 3.601 -0.204 1
1 452 . 4 1 1 A 42 42 VAL C C 42 177.701 177.921 -0.220 1
1 453 . 4 1 1 A 42 42 VAL CA C 42 67.341 66.478 0.863 1
1 454 . 4 1 1 A 42 42 VAL CB C 42 32.075 31.502 0.573 1
1 457 . 4 1 1 A 42 42 VAL N N 42 117.921 120.407 -2.486 1
1 458 . 4 1 1 A 43 43 ALA H H 43 8.136 8.675 -0.539 1
1 459 . 4 1 1 A 43 43 ALA HA H 43 4.101 3.972 0.129 1
1 463 . 4 1 1 A 43 43 ALA C C 43 180.808 179.551 1.257 1
1 464 . 4 1 1 A 43 43 ALA CA C 43 55.404 55.593 -0.189 1
1 465 . 4 1 1 A 43 43 ALA CB C 43 17.722 18.454 -0.732 1
1 466 . 4 1 1 A 43 43 ALA N N 43 119.833 121.787 -1.954 1
1 467 . 4 1 1 A 44 44 ALA H H 44 7.664 7.949 -0.285 1
1 468 . 4 1 1 A 44 44 ALA HA H 44 4.234 4.011 0.223 1
1 472 . 4 1 1 A 44 44 ALA C C 44 180.953 180.165 0.788 1
1 473 . 4 1 1 A 44 44 ALA CA C 44 55.122 55.537 -0.415 1
1 474 . 4 1 1 A 44 44 ALA CB C 44 18.229 18.617 -0.388 1
1 475 . 4 1 1 A 44 44 ALA N N 44 121.026 119.273 1.753 1
1 476 . 4 1 1 A 45 45 GLU H H 45 7.837 7.964 -0.127 1
1 477 . 4 1 1 A 45 45 GLU HA H 45 4.447 4.056 0.391 1
1 482 . 4 1 1 A 45 45 GLU C C 45 180.357 179.271 1.086 1
1 483 . 4 1 1 A 45 45 GLU CA C 45 57.467 59.473 -2.006 1
1 484 . 4 1 1 A 45 45 GLU CB C 45 28.255 30.157 -1.902 1
1 486 . 4 1 1 A 45 45 GLU N N 45 118.409 117.997 0.412 1
1 487 . 4 1 1 A 46 46 VAL H H 46 9.024 8.036 0.988 1
1 488 . 4 1 1 A 46 46 VAL HA H 46 3.638 3.586 0.052 1
1 496 . 4 1 1 A 46 46 VAL C C 46 177.712 177.767 -0.055 1
1 497 . 4 1 1 A 46 46 VAL CA C 46 66.961 66.678 0.283 1
1 498 . 4 1 1 A 46 46 VAL CB C 46 31.910 31.549 0.361 1
1 501 . 4 1 1 A 46 46 VAL N N 46 124.975 120.938 4.037 1
1 502 . 4 1 1 A 47 47 ALA H H 47 8.130 8.340 -0.210 1
1 503 . 4 1 1 A 47 47 ALA HA H 47 4.093 3.941 0.152 1
1 507 . 4 1 1 A 47 47 ALA C C 47 180.853 179.107 1.746 1
1 508 . 4 1 1 A 47 47 ALA CA C 47 55.545 55.611 -0.066 1
1 509 . 4 1 1 A 47 47 ALA CB C 47 17.683 18.395 -0.712 1
1 510 . 4 1 1 A 47 47 ALA N N 47 122.493 121.607 0.886 1
1 511 . 4 1 1 A 48 48 LYS H H 48 7.442 7.733 -0.291 1
1 512 . 4 1 1 A 48 48 LYS HA H 48 4.183 3.934 0.249 1
1 521 . 4 1 1 A 48 48 LYS C C 48 178.698 178.479 0.219 1
1 522 . 4 1 1 A 48 48 LYS CA C 48 59.389 59.923 -0.534 1
1 523 . 4 1 1 A 48 48 LYS CB C 48 32.610 32.196 0.414 1
1 527 . 4 1 1 A 48 48 LYS N N 48 118.186 118.306 -0.120 1
1 528 . 4 1 1 A 49 49 LEU H H 49 7.822 8.507 -0.685 1
1 529 . 4 1 1 A 49 49 LEU HA H 49 4.012 4.038 -0.026 1
1 539 . 4 1 1 A 49 49 LEU C C 49 177.582 178.514 -0.932 1
1 540 . 4 1 1 A 49 49 LEU CA C 49 58.490 58.215 0.275 1
1 541 . 4 1 1 A 49 49 LEU CB C 49 42.119 41.365 0.754 1
1 545 . 4 1 1 A 49 49 LEU N N 49 120.499 120.641 -0.142 1
1 546 . 4 1 1 A 50 50 LEU H H 50 8.565 8.392 0.173 1
1 547 . 4 1 1 A 50 50 LEU HA H 50 3.994 4.013 -0.019 1
1 557 . 4 1 1 A 50 50 LEU C C 50 180.128 179.178 0.950 1
1 558 . 4 1 1 A 50 50 LEU CA C 50 58.330 57.334 0.996 1
1 559 . 4 1 1 A 50 50 LEU CB C 50 41.060 41.636 -0.576 1
1 563 . 4 1 1 A 50 50 LEU N N 50 118.622 119.031 -0.409 1
1 564 . 4 1 1 A 51 51 ASP H H 51 7.962 8.011 -0.049 1
1 565 . 4 1 1 A 51 51 ASP HA H 51 4.480 4.556 -0.076 1
1 568 . 4 1 1 A 51 51 ASP C C 51 178.808 178.640 0.168 1
1 569 . 4 1 1 A 51 51 ASP CA C 51 57.802 56.381 1.421 1
1 570 . 4 1 1 A 51 51 ASP CB C 51 41.435 41.228 0.207 1
1 571 . 4 1 1 A 51 51 ASP N N 51 120.483 119.841 0.642 1
1 572 . 4 1 1 A 52 52 LEU H H 52 8.228 8.132 0.096 1
1 573 . 4 1 1 A 52 52 LEU HA H 52 4.006 3.972 0.034 1
1 583 . 4 1 1 A 52 52 LEU C C 52 179.173 179.332 -0.159 1
1 584 . 4 1 1 A 52 52 LEU CA C 52 58.190 57.517 0.673 1
1 585 . 4 1 1 A 52 52 LEU CB C 52 43.222 41.397 1.825 1
1 589 . 4 1 1 A 52 52 LEU N N 52 121.105 120.535 0.570 1
1 590 . 4 1 1 A 53 53 LYS H H 53 8.531 7.753 0.778 1
1 591 . 4 1 1 A 53 53 LYS HA H 53 3.872 4.057 -0.185 1
1 600 . 4 1 1 A 53 53 LYS C C 53 179.984 179.134 0.850 1
1 601 . 4 1 1 A 53 53 LYS CA C 53 60.699 59.525 1.174 1
1 602 . 4 1 1 A 53 53 LYS CB C 53 32.239 32.311 -0.072 1
1 606 . 4 1 1 A 53 53 LYS N N 53 118.013 119.959 -1.946 1
1 607 . 4 1 1 A 54 54 LYS H H 54 8.090 8.359 -0.269 1
1 608 . 4 1 1 A 54 54 LYS HA H 54 4.165 4.075 0.090 1
1 616 . 4 1 1 A 54 54 LYS C C 54 178.638 178.787 -0.149 1
1 617 . 4 1 1 A 54 54 LYS CA C 54 59.847 59.156 0.691 1
1 618 . 4 1 1 A 54 54 LYS CB C 54 32.116 32.145 -0.029 1
1 622 . 4 1 1 A 54 54 LYS N N 54 122.616 119.020 3.596 1
1 623 . 4 1 1 A 55 55 GLN H H 55 8.214 7.771 0.443 1
1 624 . 4 1 1 A 55 55 GLN HA H 55 3.976 4.057 -0.081 1
1 631 . 4 1 1 A 55 55 GLN C C 55 179.696 178.470 1.226 1
1 632 . 4 1 1 A 55 55 GLN CA C 55 59.177 58.532 0.645 1
1 633 . 4 1 1 A 55 55 GLN CB C 55 29.400 28.344 1.056 1
1 635 . 4 1 1 A 55 55 GLN N N 55 119.132 119.057 0.075 1
1 637 . 4 1 1 A 56 56 LEU H H 56 8.506 7.784 0.722 1
1 638 . 4 1 1 A 56 56 LEU HA H 56 4.116 4.013 0.103 1
1 648 . 4 1 1 A 56 56 LEU C C 56 176.782 178.239 -1.457 1
1 649 . 4 1 1 A 56 56 LEU CA C 56 57.925 58.235 -0.310 1
1 650 . 4 1 1 A 56 56 LEU CB C 56 41.465 41.943 -0.478 1
1 654 . 4 1 1 A 56 56 LEU N N 56 122.033 121.501 0.532 1
1 655 . 4 1 1 A 57 57 ALA H H 57 7.896 7.934 -0.038 1
1 656 . 4 1 1 A 57 57 ALA HA H 57 4.232 4.031 0.201 1
1 660 . 4 1 1 A 57 57 ALA C C 57 180.928 180.012 0.916 1
1 661 . 4 1 1 A 57 57 ALA CA C 57 55.246 55.467 -0.221 1
1 662 . 4 1 1 A 57 57 ALA CB C 57 17.776 18.556 -0.780 1
1 663 . 4 1 1 A 57 57 ALA N N 57 121.379 120.165 1.214 1
1 664 . 4 1 1 A 58 58 VAL H H 58 7.973 7.884 0.089 1
1 665 . 4 1 1 A 58 58 VAL HA H 58 3.761 3.546 0.215 1
1 673 . 4 1 1 A 58 58 VAL C C 58 179.410 177.825 1.585 1
1 674 . 4 1 1 A 58 58 VAL CA C 58 65.807 66.759 -0.952 1
1 675 . 4 1 1 A 58 58 VAL CB C 58 31.978 31.535 0.443 1
1 678 . 4 1 1 A 58 58 VAL N N 58 117.592 118.054 -0.462 1
1 679 . 4 1 1 A 59 59 ALA H H 59 8.024 8.187 -0.163 1
1 680 . 4 1 1 A 59 59 ALA HA H 59 4.133 4.043 0.090 1
1 684 . 4 1 1 A 59 59 ALA C C 59 179.359 179.854 -0.495 1
1 685 . 4 1 1 A 59 59 ALA CA C 59 54.805 55.640 -0.835 1
1 686 . 4 1 1 A 59 59 ALA CB C 59 18.513 18.672 -0.159 1
1 687 . 4 1 1 A 59 59 ALA N N 59 124.023 121.393 2.630 1
1 688 . 4 1 1 A 60 60 GLU H H 60 8.334 7.842 0.492 1
1 689 . 4 1 1 A 60 60 GLU HA H 60 4.143 4.262 -0.119 1
1 694 . 4 1 1 A 60 60 GLU C C 60 177.391 176.539 0.852 1
1 695 . 4 1 1 A 60 60 GLU CA C 60 57.915 57.026 0.889 1
1 696 . 4 1 1 A 60 60 GLU CB C 60 30.962 30.185 0.777 1
1 698 . 4 1 1 A 60 60 GLU N N 60 115.335 115.721 -0.386 1
1 699 . 4 1 1 A 61 61 GLY H H 61 7.845 7.951 -0.106 1
1 700 . 4 1 1 A 61 61 GLY HA2 H 61 3.958 4.031 -0.073 1
1 701 . 4 1 1 A 61 61 GLY HA3 H 61 3.958 4.031 -0.073 1
1 702 . 4 1 1 A 61 61 GLY C C 61 174.090 174.684 -0.594 1
1 703 . 4 1 1 A 61 61 GLY CA C 61 45.654 45.097 0.557 1
1 704 . 4 1 1 A 61 61 GLY N N 61 107.486 106.589 0.897 1
1 705 . 4 1 1 A 62 62 LYS H H 62 8.068 7.461 0.607 1
1 706 . 4 1 1 A 62 62 LYS HA H 62 4.612 4.372 0.240 1
1 715 . 4 1 1 A 62 62 LYS C C 62 174.023 174.417 -0.394 1
1 716 . 4 1 1 A 62 62 LYS CA C 62 54.147 54.656 -0.509 1
1 717 . 4 1 1 A 62 62 LYS CB C 62 32.651 32.088 0.563 1
1 721 . 4 1 1 A 62 62 LYS N N 62 121.672 120.770 0.902 1
1 722 . 4 1 1 A 63 63 PRO HA H 63 4.692 4.649 0.043 1
1 729 . 4 1 1 A 63 63 PRO CA C 63 61.351 61.474 -0.123 1
1 730 . 4 1 1 A 63 63 PRO CB C 63 30.892 31.457 -0.565 1
1 733 . 4 1 1 A 64 64 PRO HA H 64 4.408 4.591 -0.183 1
1 740 . 4 1 1 A 64 64 PRO C C 64 176.775 176.451 0.324 1
1 741 . 4 1 1 A 64 64 PRO CA C 64 62.926 62.269 0.657 1
1 742 . 4 1 1 A 64 64 PRO CB C 64 32.074 33.328 -1.254 1
1 745 . 4 1 1 A 65 65 GLU H H 65 8.396 8.664 -0.268 1
1 746 . 4 1 1 A 65 65 GLU HA H 65 4.243 4.430 -0.187 1
1 751 . 4 1 1 A 65 65 GLU C C 65 175.888 176.549 -0.661 1
1 752 . 4 1 1 A 65 65 GLU CA C 65 56.083 55.971 0.112 1
1 753 . 4 1 1 A 65 65 GLU CB C 65 30.722 28.287 2.435 1
1 755 . 4 1 1 A 65 65 GLU N N 65 121.093 120.264 0.829 1
1 756 . 4 1 1 A 66 66 ALA H H 66 8.434 8.277 0.157 1
1 757 . 4 1 1 A 66 66 ALA HA H 66 4.583 4.120 0.463 1
1 761 . 4 1 1 A 66 66 ALA C C 66 175.504 175.584 -0.080 1
1 762 . 4 1 1 A 66 66 ALA CA C 66 50.482 56.829 -6.347 1
1 763 . 4 1 1 A 66 66 ALA CB C 66 18.108 17.528 0.580 1
1 764 . 4 1 1 A 66 66 ALA N N 66 127.348 124.344 3.004 1
1 765 . 4 1 1 A 67 67 PRO HA H 67 4.408 4.276 0.132 1
1 772 . 4 1 1 A 67 67 PRO C C 67 177.111 176.331 0.780 1
1 773 . 4 1 1 A 67 67 PRO CA C 67 63.056 66.154 -3.098 1
1 774 . 4 1 1 A 67 67 PRO CB C 67 32.074 30.793 1.281 1
1 777 . 4 1 1 A 68 68 LYS H H 68 8.479 7.991 0.488 1
1 778 . 4 1 1 A 68 68 LYS HA H 68 4.291 4.238 0.053 1
1 787 . 4 1 1 A 68 68 LYS C C 68 177.292 176.162 1.130 1
1 788 . 4 1 1 A 68 68 LYS CA C 68 56.322 55.919 0.403 1
1 789 . 4 1 1 A 68 68 LYS CB C 68 33.146 32.790 0.356 1
1 793 . 4 1 1 A 68 68 LYS N N 68 121.836 118.180 3.656 1
1 794 . 4 1 1 A 69 69 GLY H H 69 8.387 8.971 -0.584 1
1 795 . 4 1 1 A 69 69 GLY HA2 H 69 3.948 4.086 -0.138 1
1 796 . 4 1 1 A 69 69 GLY HA3 H 69 3.948 4.086 -0.138 1
1 797 . 4 1 1 A 69 69 GLY C C 69 173.940 172.721 1.219 1
1 798 . 4 1 1 A 69 69 GLY CA C 69 45.160 45.353 -0.193 1
1 799 . 4 1 1 A 69 69 GLY N N 69 109.796 112.410 -2.614 1
1 800 . 4 1 1 A 70 70 LYS H H 70 8.196 8.888 -0.692 1
1 801 . 4 1 1 A 70 70 LYS HA H 70 4.318 4.551 -0.233 1
1 810 . 4 1 1 A 70 70 LYS C C 70 176.642 176.395 0.247 1
1 811 . 4 1 1 A 70 70 LYS CA C 70 56.127 56.062 0.065 1
1 812 . 4 1 1 A 70 70 LYS CB C 70 33.272 32.858 0.414 1
1 816 . 4 1 1 A 70 70 LYS N N 70 121.044 126.597 -5.553 1
1 817 . 4 1 1 A 71 71 LYS H H 71 8.348 8.663 -0.315 1
1 818 . 4 1 1 A 71 71 LYS HA H 71 4.273 4.452 -0.179 1
1 827 . 4 1 1 A 71 71 LYS C C 71 176.548 174.733 1.815 1
1 828 . 4 1 1 A 71 71 LYS CA C 71 56.285 56.093 0.192 1
1 829 . 4 1 1 A 71 71 LYS CB C 71 33.270 31.214 2.056 1
1 833 . 4 1 1 A 71 71 LYS N N 71 123.152 124.303 -1.151 1
1 834 . 4 1 1 A 72 72 LYS H H 72 8.405 7.502 0.903 1
1 835 . 4 1 1 A 72 72 LYS HA H 72 4.273 4.769 -0.496 1
1 836 . 4 1 1 A 72 72 LYS C C 72 176.499 176.572 -0.073 1
1 837 . 4 1 1 A 72 72 LYS CA C 72 56.356 54.588 1.768 1
1 838 . 4 1 1 A 72 72 LYS CB C 72 33.146 36.426 -3.280 1
1 1 . 5 1 1 A 7 7 GLY HA2 H 7 4.042 4.134 -0.092 1
1 2 . 5 1 1 A 7 7 GLY HA3 H 7 4.042 4.134 -0.092 1
1 3 . 5 1 1 A 7 7 GLY C C 7 174.377 173.634 0.743 1
1 4 . 5 1 1 A 7 7 GLY CA C 7 45.425 46.183 -0.758 1
1 5 . 5 1 1 A 8 8 THR H H 8 8.131 8.214 -0.083 1
1 6 . 5 1 1 A 8 8 THR HA H 8 4.448 4.302 0.146 1
1 11 . 5 1 1 A 8 8 THR C C 8 174.773 174.087 0.686 1
1 12 . 5 1 1 A 8 8 THR CA C 8 61.787 62.512 -0.725 1
1 13 . 5 1 1 A 8 8 THR CB C 8 69.913 69.764 0.149 1
1 15 . 5 1 1 A 8 8 THR N N 8 113.630 114.123 -0.493 1
1 16 . 5 1 1 A 9 9 THR H H 9 8.180 8.644 -0.464 1
1 17 . 5 1 1 A 9 9 THR HA H 9 4.355 4.498 -0.143 1
1 22 . 5 1 1 A 9 9 THR C C 9 174.203 174.574 -0.371 1
1 23 . 5 1 1 A 9 9 THR CA C 9 61.892 61.552 0.340 1
1 24 . 5 1 1 A 9 9 THR CB C 9 69.891 69.310 0.581 1
1 26 . 5 1 1 A 9 9 THR N N 9 116.604 118.385 -1.781 1
1 27 . 5 1 1 A 10 10 ALA H H 10 8.405 8.006 0.399 1
1 28 . 5 1 1 A 10 10 ALA HA H 10 4.376 4.893 -0.517 1
1 32 . 5 1 1 A 10 10 ALA C C 10 177.430 177.293 0.137 1
1 33 . 5 1 1 A 10 10 ALA CA C 10 52.317 50.364 1.953 1
1 34 . 5 1 1 A 10 10 ALA CB C 10 19.506 22.395 -2.889 1
1 35 . 5 1 1 A 10 10 ALA N N 10 126.934 128.254 -1.320 1
1 36 . 5 1 1 A 11 11 LYS H H 11 8.462 9.290 -0.828 1
1 37 . 5 1 1 A 11 11 LYS HA H 11 4.575 3.961 0.614 1
1 46 . 5 1 1 A 11 11 LYS C C 11 174.921 176.455 -1.534 1
1 47 . 5 1 1 A 11 11 LYS CA C 11 55.122 61.443 -6.321 1
1 48 . 5 1 1 A 11 11 LYS CB C 11 31.910 30.586 1.324 1
1 52 . 5 1 1 A 11 11 LYS N N 11 121.526 120.909 0.617 1
1 53 . 5 1 1 A 12 12 PRO HA H 12 4.363 4.421 -0.058 1
1 60 . 5 1 1 A 12 12 PRO C C 12 178.290 177.685 0.605 1
1 61 . 5 1 1 A 12 12 PRO CA C 12 64.502 64.797 -0.295 1
1 62 . 5 1 1 A 12 12 PRO CB C 12 31.992 31.372 0.620 1
1 65 . 5 1 1 A 13 13 GLN H H 13 8.665 8.228 0.437 1
1 66 . 5 1 1 A 13 13 GLN HA H 13 4.158 4.364 -0.206 1
1 73 . 5 1 1 A 13 13 GLN C C 13 177.727 178.259 -0.532 1
1 74 . 5 1 1 A 13 13 GLN CA C 13 58.366 57.435 0.931 1
1 75 . 5 1 1 A 13 13 GLN CB C 13 28.584 29.816 -1.232 1
1 77 . 5 1 1 A 13 13 GLN N N 13 119.964 116.766 3.198 1
1 79 . 5 1 1 A 14 14 GLN H H 14 8.376 8.335 0.041 1
1 80 . 5 1 1 A 14 14 GLN HA H 14 4.217 4.099 0.118 1
1 87 . 5 1 1 A 14 14 GLN C C 14 178.304 178.120 0.184 1
1 88 . 5 1 1 A 14 14 GLN CA C 14 58.190 58.128 0.062 1
1 89 . 5 1 1 A 14 14 GLN CB C 14 28.639 27.548 1.091 1
1 91 . 5 1 1 A 14 14 GLN N N 14 120.039 118.157 1.882 1
1 93 . 5 1 1 A 15 15 ILE H H 15 7.802 7.599 0.203 1
1 94 . 5 1 1 A 15 15 ILE HA H 15 3.654 3.629 0.025 1
1 104 . 5 1 1 A 15 15 ILE C C 15 177.183 177.836 -0.653 1
1 105 . 5 1 1 A 15 15 ILE CA C 15 64.643 64.827 -0.184 1
1 106 . 5 1 1 A 15 15 ILE CB C 15 37.828 37.828 0.000 1
1 110 . 5 1 1 A 15 15 ILE N N 15 119.981 121.637 -1.656 1
1 111 . 5 1 1 A 16 16 GLN H H 16 8.159 8.157 0.002 1
1 112 . 5 1 1 A 16 16 GLN HA H 16 3.958 4.001 -0.043 1
1 119 . 5 1 1 A 16 16 GLN C C 16 177.647 178.060 -0.413 1
1 120 . 5 1 1 A 16 16 GLN CA C 16 58.648 59.185 -0.537 1
1 121 . 5 1 1 A 16 16 GLN CB C 16 28.531 28.485 0.046 1
1 123 . 5 1 1 A 16 16 GLN N N 16 119.695 120.018 -0.323 1
1 125 . 5 1 1 A 17 17 ALA H H 17 7.946 8.123 -0.177 1
1 126 . 5 1 1 A 17 17 ALA HA H 17 4.239 4.074 0.165 1
1 130 . 5 1 1 A 17 17 ALA C C 17 180.910 180.078 0.832 1
1 131 . 5 1 1 A 17 17 ALA CA C 17 55.106 54.919 0.187 1
1 132 . 5 1 1 A 17 17 ALA CB C 17 17.990 18.631 -0.641 1
1 133 . 5 1 1 A 17 17 ALA N N 17 120.227 120.968 -0.741 1
1 134 . 5 1 1 A 18 18 LEU H H 18 7.682 8.229 -0.547 1
1 135 . 5 1 1 A 18 18 LEU HA H 18 4.187 3.975 0.212 1
1 145 . 5 1 1 A 18 18 LEU C C 18 178.977 179.400 -0.423 1
1 146 . 5 1 1 A 18 18 LEU CA C 18 57.890 58.006 -0.116 1
1 147 . 5 1 1 A 18 18 LEU CB C 18 43.361 41.952 1.409 1
1 151 . 5 1 1 A 18 18 LEU N N 18 119.764 119.504 0.260 1
1 152 . 5 1 1 A 19 19 MET H H 19 8.699 8.624 0.075 1
1 153 . 5 1 1 A 19 19 MET HA H 19 3.965 4.097 -0.132 1
1 161 . 5 1 1 A 19 19 MET C C 19 179.207 178.016 1.191 1
1 162 . 5 1 1 A 19 19 MET CA C 19 59.794 58.450 1.344 1
1 163 . 5 1 1 A 19 19 MET CB C 19 32.445 31.740 0.705 1
1 166 . 5 1 1 A 19 19 MET N N 19 119.982 116.288 3.694 1
1 167 . 5 1 1 A 20 20 ASP H H 20 8.435 8.099 0.336 1
1 168 . 5 1 1 A 20 20 ASP HA H 20 4.453 4.332 0.121 1
1 171 . 5 1 1 A 20 20 ASP C C 20 179.127 178.081 1.046 1
1 172 . 5 1 1 A 20 20 ASP CA C 20 57.449 57.217 0.232 1
1 173 . 5 1 1 A 20 20 ASP CB C 20 39.986 40.971 -0.985 1
1 174 . 5 1 1 A 20 20 ASP N N 20 120.434 120.366 0.068 1
1 175 . 5 1 1 A 21 21 GLU H H 21 8.150 7.833 0.317 1
1 176 . 5 1 1 A 21 21 GLU HA H 21 4.168 4.079 0.089 1
1 181 . 5 1 1 A 21 21 GLU C C 21 179.405 179.144 0.261 1
1 182 . 5 1 1 A 21 21 GLU CA C 21 59.477 59.178 0.299 1
1 183 . 5 1 1 A 21 21 GLU CB C 21 29.441 29.314 0.127 1
1 185 . 5 1 1 A 21 21 GLU N N 21 122.159 117.753 4.406 1
1 186 . 5 1 1 A 22 22 VAL H H 22 8.754 8.350 0.404 1
1 187 . 5 1 1 A 22 22 VAL HA H 22 3.484 3.610 -0.126 1
1 195 . 5 1 1 A 22 22 VAL C C 22 179.177 178.190 0.987 1
1 196 . 5 1 1 A 22 22 VAL CA C 22 67.545 66.579 0.966 1
1 197 . 5 1 1 A 22 22 VAL CB C 22 31.712 31.750 -0.038 1
1 200 . 5 1 1 A 22 22 VAL N N 22 121.967 121.440 0.527 1
1 201 . 5 1 1 A 23 23 THR H H 23 8.410 7.903 0.507 1
1 202 . 5 1 1 A 23 23 THR HA H 23 3.888 3.778 0.110 1
1 207 . 5 1 1 A 23 23 THR C C 23 176.515 176.222 0.293 1
1 208 . 5 1 1 A 23 23 THR CA C 23 66.706 66.703 0.003 1
1 209 . 5 1 1 A 23 23 THR CB C 23 68.646 68.561 0.085 1
1 211 . 5 1 1 A 23 23 THR N N 23 119.619 115.965 3.654 1
1 212 . 5 1 1 A 24 24 LYS H H 24 8.179 7.817 0.362 1
1 213 . 5 1 1 A 24 24 LYS HA H 24 4.055 3.875 0.180 1
1 219 . 5 1 1 A 24 24 LYS C C 24 179.223 178.761 0.462 1
1 220 . 5 1 1 A 24 24 LYS CA C 24 59.865 59.794 0.071 1
1 221 . 5 1 1 A 24 24 LYS CB C 24 32.733 32.679 0.054 1
1 225 . 5 1 1 A 24 24 LYS N N 24 122.464 121.346 1.118 1
1 226 . 5 1 1 A 25 25 GLN H H 25 8.791 8.064 0.727 1
1 227 . 5 1 1 A 25 25 GLN HA H 25 4.266 3.969 0.297 1
1 234 . 5 1 1 A 25 25 GLN C C 25 178.359 178.507 -0.148 1
1 235 . 5 1 1 A 25 25 GLN CA C 25 57.273 59.542 -2.269 1
1 236 . 5 1 1 A 25 25 GLN CB C 25 26.830 28.152 -1.322 1
1 238 . 5 1 1 A 25 25 GLN N N 25 120.181 118.422 1.759 1
1 240 . 5 1 1 A 26 26 GLY H H 26 8.828 8.657 0.171 1
1 241 . 5 1 1 A 26 26 GLY HA2 H 26 4.099 3.622 0.477 1
1 242 . 5 1 1 A 26 26 GLY HA3 H 26 3.788 3.622 0.166 1
1 243 . 5 1 1 A 26 26 GLY C C 26 176.618 175.895 0.723 1
1 244 . 5 1 1 A 26 26 GLY CA C 26 47.161 47.198 -0.037 1
1 245 . 5 1 1 A 26 26 GLY N N 26 108.597 107.517 1.080 1
1 246 . 5 1 1 A 27 27 ASN H H 27 7.910 8.761 -0.851 1
1 247 . 5 1 1 A 27 27 ASN HA H 27 4.582 4.430 0.152 1
1 252 . 5 1 1 A 27 27 ASN C C 27 177.317 177.465 -0.148 1
1 253 . 5 1 1 A 27 27 ASN CA C 27 56.074 55.785 0.289 1
1 254 . 5 1 1 A 27 27 ASN CB C 27 37.729 37.410 0.319 1
1 255 . 5 1 1 A 27 27 ASN N N 27 121.818 120.180 1.638 1
1 257 . 5 1 1 A 28 28 ILE H H 28 7.811 7.840 -0.029 1
1 258 . 5 1 1 A 28 28 ILE HA H 28 3.789 4.095 -0.306 1
1 268 . 5 1 1 A 28 28 ILE C C 28 178.445 178.259 0.186 1
1 269 . 5 1 1 A 28 28 ILE CA C 28 65.117 65.240 -0.123 1
1 270 . 5 1 1 A 28 28 ILE CB C 28 37.914 37.845 0.069 1
1 274 . 5 1 1 A 28 28 ILE N N 28 123.083 121.448 1.635 1
1 275 . 5 1 1 A 29 29 VAL H H 29 8.018 7.942 0.076 1
1 276 . 5 1 1 A 29 29 VAL HA H 29 3.399 3.689 -0.290 1
1 284 . 5 1 1 A 29 29 VAL C C 29 176.953 178.299 -1.346 1
1 285 . 5 1 1 A 29 29 VAL CA C 29 67.541 66.983 0.558 1
1 286 . 5 1 1 A 29 29 VAL CB C 29 32.013 31.403 0.610 1
1 289 . 5 1 1 A 29 29 VAL N N 29 119.117 120.756 -1.639 1
1 290 . 5 1 1 A 30 30 ARG H H 30 7.965 7.765 0.200 1
1 291 . 5 1 1 A 30 30 ARG HA H 30 3.928 3.946 -0.018 1
1 298 . 5 1 1 A 30 30 ARG C C 30 179.609 178.281 1.328 1
1 299 . 5 1 1 A 30 30 ARG CA C 30 60.006 59.913 0.093 1
1 300 . 5 1 1 A 30 30 ARG CB C 30 30.302 29.782 0.520 1
1 303 . 5 1 1 A 30 30 ARG N N 30 118.510 119.722 -1.212 1
1 304 . 5 1 1 A 31 31 GLU H H 31 8.211 8.127 0.084 1
1 305 . 5 1 1 A 31 31 GLU HA H 31 4.167 4.084 0.083 1
1 310 . 5 1 1 A 31 31 GLU C C 31 178.910 179.146 -0.236 1
1 311 . 5 1 1 A 31 31 GLU CA C 31 59.195 59.109 0.086 1
1 312 . 5 1 1 A 31 31 GLU CB C 31 29.437 29.363 0.074 1
1 314 . 5 1 1 A 31 31 GLU N N 31 120.110 117.482 2.628 1
1 315 . 5 1 1 A 32 32 LEU H H 32 8.287 8.205 0.082 1
1 316 . 5 1 1 A 32 32 LEU HA H 32 4.021 3.908 0.113 1
1 326 . 5 1 1 A 32 32 LEU C C 32 179.931 179.038 0.893 1
1 327 . 5 1 1 A 32 32 LEU CA C 32 57.979 57.627 0.352 1
1 328 . 5 1 1 A 32 32 LEU CB C 32 42.524 41.708 0.816 1
1 332 . 5 1 1 A 32 32 LEU N N 32 120.148 121.296 -1.148 1
1 333 . 5 1 1 A 33 33 LYS H H 33 8.205 7.922 0.283 1
1 334 . 5 1 1 A 33 33 LYS HA H 33 4.048 3.904 0.144 1
1 343 . 5 1 1 A 33 33 LYS C C 33 180.739 179.728 1.011 1
1 344 . 5 1 1 A 33 33 LYS CA C 33 59.883 60.243 -0.360 1
1 345 . 5 1 1 A 33 33 LYS CB C 33 32.569 32.337 0.232 1
1 349 . 5 1 1 A 33 33 LYS N N 33 117.234 117.115 0.119 1
1 350 . 5 1 1 A 34 34 ALA H H 34 8.101 7.746 0.355 1
1 351 . 5 1 1 A 34 34 ALA HA H 34 4.185 4.070 0.115 1
1 355 . 5 1 1 A 34 34 ALA C C 34 179.304 179.060 0.244 1
1 356 . 5 1 1 A 34 34 ALA CA C 34 54.734 54.468 0.266 1
1 357 . 5 1 1 A 34 34 ALA CB C 34 18.190 18.015 0.175 1
1 358 . 5 1 1 A 34 34 ALA N N 34 123.540 121.352 2.188 1
1 359 . 5 1 1 A 35 35 GLN H H 35 7.815 7.636 0.179 1
1 360 . 5 1 1 A 35 35 GLN HA H 35 4.299 4.436 -0.137 1
1 367 . 5 1 1 A 35 35 GLN C C 35 175.344 175.226 0.118 1
1 368 . 5 1 1 A 35 35 GLN CA C 35 55.342 55.418 -0.076 1
1 369 . 5 1 1 A 35 35 GLN CB C 35 28.819 28.539 0.280 1
1 371 . 5 1 1 A 35 35 GLN N N 35 115.126 115.164 -0.038 1
1 373 . 5 1 1 A 36 36 LYS H H 36 7.948 7.771 0.177 1
1 374 . 5 1 1 A 36 36 LYS HA H 36 3.963 3.989 -0.026 1
1 382 . 5 1 1 A 36 36 LYS C C 36 175.883 175.819 0.064 1
1 383 . 5 1 1 A 36 36 LYS CA C 36 56.872 57.108 -0.236 1
1 384 . 5 1 1 A 36 36 LYS CB C 36 28.917 30.214 -1.297 1
1 388 . 5 1 1 A 36 36 LYS N N 36 117.310 117.480 -0.170 1
1 389 . 5 1 1 A 37 37 ALA H H 37 7.646 7.392 0.254 1
1 390 . 5 1 1 A 37 37 ALA HA H 37 4.226 4.292 -0.066 1
1 394 . 5 1 1 A 37 37 ALA C C 37 176.094 176.569 -0.475 1
1 395 . 5 1 1 A 37 37 ALA CA C 37 52.143 52.377 -0.234 1
1 396 . 5 1 1 A 37 37 ALA CB C 37 20.742 19.423 1.319 1
1 397 . 5 1 1 A 37 37 ALA N N 37 120.112 123.032 -2.920 1
1 398 . 5 1 1 A 38 38 ASP H H 38 8.474 8.532 -0.058 1
1 399 . 5 1 1 A 38 38 ASP HA H 38 4.387 4.424 -0.037 1
1 402 . 5 1 1 A 38 38 ASP C C 38 177.481 177.611 -0.130 1
1 403 . 5 1 1 A 38 38 ASP CA C 38 54.992 54.691 0.301 1
1 404 . 5 1 1 A 38 38 ASP CB C 38 43.156 43.006 0.150 1
1 405 . 5 1 1 A 38 38 ASP N N 38 119.141 121.709 -2.568 1
1 406 . 5 1 1 A 39 39 LYS H H 39 8.703 8.571 0.132 1
1 407 . 5 1 1 A 39 39 LYS HA H 39 3.967 3.913 0.054 1
1 414 . 5 1 1 A 39 39 LYS C C 39 178.806 178.124 0.682 1
1 415 . 5 1 1 A 39 39 LYS CA C 39 59.547 60.139 -0.592 1
1 416 . 5 1 1 A 39 39 LYS CB C 39 32.222 32.252 -0.030 1
1 420 . 5 1 1 A 39 39 LYS N N 39 124.290 126.332 -2.042 1
1 421 . 5 1 1 A 40 40 ASN H H 40 8.873 8.225 0.648 1
1 422 . 5 1 1 A 40 40 ASN HA H 40 4.571 4.439 0.132 1
1 427 . 5 1 1 A 40 40 ASN C C 40 178.014 178.441 -0.427 1
1 428 . 5 1 1 A 40 40 ASN CA C 40 56.091 56.511 -0.420 1
1 429 . 5 1 1 A 40 40 ASN CB C 40 37.900 37.787 0.113 1
1 430 . 5 1 1 A 40 40 ASN N N 40 119.722 118.224 1.498 1
1 432 . 5 1 1 A 41 41 GLU H H 41 7.881 8.147 -0.266 1
1 433 . 5 1 1 A 41 41 GLU HA H 41 4.192 4.066 0.126 1
1 438 . 5 1 1 A 41 41 GLU C C 41 178.917 179.596 -0.679 1
1 439 . 5 1 1 A 41 41 GLU CA C 41 59.213 59.333 -0.120 1
1 440 . 5 1 1 A 41 41 GLU CB C 41 29.520 29.661 -0.141 1
1 442 . 5 1 1 A 41 41 GLU N N 41 124.025 119.583 4.442 1
1 443 . 5 1 1 A 42 42 VAL H H 42 8.061 8.456 -0.395 1
1 444 . 5 1 1 A 42 42 VAL HA H 42 3.397 3.588 -0.191 1
1 452 . 5 1 1 A 42 42 VAL C C 42 177.701 178.032 -0.331 1
1 453 . 5 1 1 A 42 42 VAL CA C 42 67.341 66.290 1.051 1
1 454 . 5 1 1 A 42 42 VAL CB C 42 32.075 31.534 0.541 1
1 457 . 5 1 1 A 42 42 VAL N N 42 117.921 120.991 -3.070 1
1 458 . 5 1 1 A 43 43 ALA H H 43 8.136 8.910 -0.774 1
1 459 . 5 1 1 A 43 43 ALA HA H 43 4.101 3.940 0.161 1
1 463 . 5 1 1 A 43 43 ALA C C 43 180.808 179.756 1.052 1
1 464 . 5 1 1 A 43 43 ALA CA C 43 55.404 55.463 -0.059 1
1 465 . 5 1 1 A 43 43 ALA CB C 43 17.722 18.587 -0.865 1
1 466 . 5 1 1 A 43 43 ALA N N 43 119.833 122.276 -2.443 1
1 467 . 5 1 1 A 44 44 ALA H H 44 7.664 8.098 -0.434 1
1 468 . 5 1 1 A 44 44 ALA HA H 44 4.234 4.056 0.178 1
1 472 . 5 1 1 A 44 44 ALA C C 44 180.953 179.965 0.988 1
1 473 . 5 1 1 A 44 44 ALA CA C 44 55.122 55.356 -0.234 1
1 474 . 5 1 1 A 44 44 ALA CB C 44 18.229 18.718 -0.489 1
1 475 . 5 1 1 A 44 44 ALA N N 44 121.026 119.942 1.084 1
1 476 . 5 1 1 A 45 45 GLU H H 45 7.837 7.832 0.005 1
1 477 . 5 1 1 A 45 45 GLU HA H 45 4.447 4.094 0.353 1
1 482 . 5 1 1 A 45 45 GLU C C 45 180.357 179.610 0.747 1
1 483 . 5 1 1 A 45 45 GLU CA C 45 57.467 59.443 -1.976 1
1 484 . 5 1 1 A 45 45 GLU CB C 45 28.255 30.319 -2.064 1
1 486 . 5 1 1 A 45 45 GLU N N 45 118.409 118.386 0.023 1
1 487 . 5 1 1 A 46 46 VAL H H 46 9.024 7.961 1.063 1
1 488 . 5 1 1 A 46 46 VAL HA H 46 3.638 3.663 -0.025 1
1 496 . 5 1 1 A 46 46 VAL C C 46 177.712 178.253 -0.541 1
1 497 . 5 1 1 A 46 46 VAL CA C 46 66.961 66.273 0.688 1
1 498 . 5 1 1 A 46 46 VAL CB C 46 31.910 31.479 0.431 1
1 501 . 5 1 1 A 46 46 VAL N N 46 124.975 120.893 4.082 1
1 502 . 5 1 1 A 47 47 ALA H H 47 8.130 8.628 -0.498 1
1 503 . 5 1 1 A 47 47 ALA HA H 47 4.093 3.937 0.156 1
1 507 . 5 1 1 A 47 47 ALA C C 47 180.853 179.566 1.287 1
1 508 . 5 1 1 A 47 47 ALA CA C 47 55.545 55.785 -0.240 1
1 509 . 5 1 1 A 47 47 ALA CB C 47 17.683 18.181 -0.498 1
1 510 . 5 1 1 A 47 47 ALA N N 47 122.493 122.235 0.258 1
1 511 . 5 1 1 A 48 48 LYS H H 48 7.442 7.542 -0.100 1
1 512 . 5 1 1 A 48 48 LYS HA H 48 4.183 4.099 0.084 1
1 521 . 5 1 1 A 48 48 LYS C C 48 178.698 178.734 -0.036 1
1 522 . 5 1 1 A 48 48 LYS CA C 48 59.389 59.120 0.269 1
1 523 . 5 1 1 A 48 48 LYS CB C 48 32.610 31.806 0.804 1
1 527 . 5 1 1 A 48 48 LYS N N 48 118.186 116.590 1.596 1
1 528 . 5 1 1 A 49 49 LEU H H 49 7.822 7.983 -0.161 1
1 529 . 5 1 1 A 49 49 LEU HA H 49 4.012 4.023 -0.011 1
1 539 . 5 1 1 A 49 49 LEU C C 49 177.582 178.640 -1.058 1
1 540 . 5 1 1 A 49 49 LEU CA C 49 58.490 58.027 0.463 1
1 541 . 5 1 1 A 49 49 LEU CB C 49 42.119 41.718 0.401 1
1 545 . 5 1 1 A 49 49 LEU N N 49 120.499 121.276 -0.777 1
1 546 . 5 1 1 A 50 50 LEU H H 50 8.565 8.636 -0.071 1
1 547 . 5 1 1 A 50 50 LEU HA H 50 3.994 3.903 0.091 1
1 557 . 5 1 1 A 50 50 LEU C C 50 180.128 178.995 1.133 1
1 558 . 5 1 1 A 50 50 LEU CA C 50 58.330 57.925 0.405 1
1 559 . 5 1 1 A 50 50 LEU CB C 50 41.060 41.470 -0.410 1
1 563 . 5 1 1 A 50 50 LEU N N 50 118.622 119.177 -0.555 1
1 564 . 5 1 1 A 51 51 ASP H H 51 7.962 8.012 -0.050 1
1 565 . 5 1 1 A 51 51 ASP HA H 51 4.480 4.452 0.028 1
1 568 . 5 1 1 A 51 51 ASP C C 51 178.808 179.124 -0.316 1
1 569 . 5 1 1 A 51 51 ASP CA C 51 57.802 57.249 0.553 1
1 570 . 5 1 1 A 51 51 ASP CB C 51 41.435 40.888 0.547 1
1 571 . 5 1 1 A 51 51 ASP N N 51 120.483 120.067 0.416 1
1 572 . 5 1 1 A 52 52 LEU H H 52 8.228 8.104 0.124 1
1 573 . 5 1 1 A 52 52 LEU HA H 52 4.006 3.955 0.051 1
1 583 . 5 1 1 A 52 52 LEU C C 52 179.173 179.417 -0.244 1
1 584 . 5 1 1 A 52 52 LEU CA C 52 58.190 57.896 0.294 1
1 585 . 5 1 1 A 52 52 LEU CB C 52 43.222 41.498 1.724 1
1 589 . 5 1 1 A 52 52 LEU N N 52 121.105 120.727 0.378 1
1 590 . 5 1 1 A 53 53 LYS H H 53 8.531 7.968 0.563 1
1 591 . 5 1 1 A 53 53 LYS HA H 53 3.872 3.806 0.066 1
1 600 . 5 1 1 A 53 53 LYS C C 53 179.984 179.122 0.862 1
1 601 . 5 1 1 A 53 53 LYS CA C 53 60.699 60.404 0.295 1
1 602 . 5 1 1 A 53 53 LYS CB C 53 32.239 32.359 -0.120 1
1 606 . 5 1 1 A 53 53 LYS N N 53 118.013 118.551 -0.538 1
1 607 . 5 1 1 A 54 54 LYS H H 54 8.090 7.556 0.534 1
1 608 . 5 1 1 A 54 54 LYS HA H 54 4.165 4.071 0.094 1
1 616 . 5 1 1 A 54 54 LYS C C 54 178.638 179.473 -0.835 1
1 617 . 5 1 1 A 54 54 LYS CA C 54 59.847 59.807 0.040 1
1 618 . 5 1 1 A 54 54 LYS CB C 54 32.116 32.436 -0.320 1
1 622 . 5 1 1 A 54 54 LYS N N 54 122.616 120.129 2.487 1
1 623 . 5 1 1 A 55 55 GLN H H 55 8.214 7.882 0.332 1
1 624 . 5 1 1 A 55 55 GLN HA H 55 3.976 4.026 -0.050 1
1 631 . 5 1 1 A 55 55 GLN C C 55 179.696 178.074 1.622 1
1 632 . 5 1 1 A 55 55 GLN CA C 55 59.177 58.641 0.536 1
1 633 . 5 1 1 A 55 55 GLN CB C 55 29.400 28.405 0.995 1
1 635 . 5 1 1 A 55 55 GLN N N 55 119.132 118.787 0.345 1
1 637 . 5 1 1 A 56 56 LEU H H 56 8.506 7.481 1.025 1
1 638 . 5 1 1 A 56 56 LEU HA H 56 4.116 4.163 -0.047 1
1 648 . 5 1 1 A 56 56 LEU C C 56 176.782 178.066 -1.284 1
1 649 . 5 1 1 A 56 56 LEU CA C 56 57.925 57.797 0.128 1
1 650 . 5 1 1 A 56 56 LEU CB C 56 41.465 42.051 -0.586 1
1 654 . 5 1 1 A 56 56 LEU N N 56 122.033 121.647 0.386 1
1 655 . 5 1 1 A 57 57 ALA H H 57 7.896 8.344 -0.448 1
1 656 . 5 1 1 A 57 57 ALA HA H 57 4.232 4.038 0.194 1
1 660 . 5 1 1 A 57 57 ALA C C 57 180.928 179.852 1.076 1
1 661 . 5 1 1 A 57 57 ALA CA C 57 55.246 55.371 -0.125 1
1 662 . 5 1 1 A 57 57 ALA CB C 57 17.776 18.440 -0.664 1
1 663 . 5 1 1 A 57 57 ALA N N 57 121.379 120.790 0.589 1
1 664 . 5 1 1 A 58 58 VAL H H 58 7.973 8.370 -0.397 1
1 665 . 5 1 1 A 58 58 VAL HA H 58 3.761 3.571 0.190 1
1 673 . 5 1 1 A 58 58 VAL C C 58 179.410 178.110 1.300 1
1 674 . 5 1 1 A 58 58 VAL CA C 58 65.807 66.702 -0.895 1
1 675 . 5 1 1 A 58 58 VAL CB C 58 31.978 31.573 0.405 1
1 678 . 5 1 1 A 58 58 VAL N N 58 117.592 117.927 -0.335 1
1 679 . 5 1 1 A 59 59 ALA H H 59 8.024 8.337 -0.313 1
1 680 . 5 1 1 A 59 59 ALA HA H 59 4.133 4.011 0.122 1
1 684 . 5 1 1 A 59 59 ALA C C 59 179.359 180.336 -0.977 1
1 685 . 5 1 1 A 59 59 ALA CA C 59 54.805 55.681 -0.876 1
1 686 . 5 1 1 A 59 59 ALA CB C 59 18.513 18.365 0.148 1
1 687 . 5 1 1 A 59 59 ALA N N 59 124.023 122.208 1.815 1
1 688 . 5 1 1 A 60 60 GLU H H 60 8.334 7.853 0.481 1
1 689 . 5 1 1 A 60 60 GLU HA H 60 4.143 4.119 0.024 1
1 694 . 5 1 1 A 60 60 GLU C C 60 177.391 176.829 0.562 1
1 695 . 5 1 1 A 60 60 GLU CA C 60 57.915 56.869 1.046 1
1 696 . 5 1 1 A 60 60 GLU CB C 60 30.962 29.886 1.076 1
1 698 . 5 1 1 A 60 60 GLU N N 60 115.335 115.990 -0.655 1
1 699 . 5 1 1 A 61 61 GLY H H 61 7.845 8.124 -0.279 1
1 700 . 5 1 1 A 61 61 GLY HA2 H 61 3.958 4.037 -0.079 1
1 701 . 5 1 1 A 61 61 GLY HA3 H 61 3.958 4.037 -0.079 1
1 702 . 5 1 1 A 61 61 GLY C C 61 174.090 174.074 0.016 1
1 703 . 5 1 1 A 61 61 GLY CA C 61 45.654 45.172 0.482 1
1 704 . 5 1 1 A 61 61 GLY N N 61 107.486 106.961 0.525 1
1 705 . 5 1 1 A 62 62 LYS H H 62 8.068 7.902 0.166 1
1 706 . 5 1 1 A 62 62 LYS HA H 62 4.612 4.627 -0.015 1
1 715 . 5 1 1 A 62 62 LYS C C 62 174.023 174.265 -0.242 1
1 716 . 5 1 1 A 62 62 LYS CA C 62 54.147 53.300 0.847 1
1 717 . 5 1 1 A 62 62 LYS CB C 62 32.651 32.754 -0.103 1
1 721 . 5 1 1 A 62 62 LYS N N 62 121.672 120.334 1.338 1
1 722 . 5 1 1 A 63 63 PRO HA H 63 4.692 4.628 0.064 1
1 729 . 5 1 1 A 63 63 PRO CA C 63 61.351 61.666 -0.315 1
1 730 . 5 1 1 A 63 63 PRO CB C 63 30.892 31.724 -0.832 1
1 733 . 5 1 1 A 64 64 PRO HA H 64 4.408 4.533 -0.125 1
1 740 . 5 1 1 A 64 64 PRO C C 64 176.775 177.214 -0.439 1
1 741 . 5 1 1 A 64 64 PRO CA C 64 62.926 62.332 0.594 1
1 742 . 5 1 1 A 64 64 PRO CB C 64 32.074 33.107 -1.033 1
1 745 . 5 1 1 A 65 65 GLU H H 65 8.396 9.111 -0.715 1
1 746 . 5 1 1 A 65 65 GLU HA H 65 4.243 4.014 0.229 1
1 751 . 5 1 1 A 65 65 GLU C C 65 175.888 176.159 -0.271 1
1 752 . 5 1 1 A 65 65 GLU CA C 65 56.083 59.578 -3.495 1
1 753 . 5 1 1 A 65 65 GLU CB C 65 30.722 29.554 1.168 1
1 755 . 5 1 1 A 65 65 GLU N N 65 121.093 121.578 -0.485 1
1 756 . 5 1 1 A 66 66 ALA H H 66 8.434 7.869 0.565 1
1 757 . 5 1 1 A 66 66 ALA HA H 66 4.583 3.887 0.696 1
1 761 . 5 1 1 A 66 66 ALA C C 66 175.504 175.827 -0.323 1
1 762 . 5 1 1 A 66 66 ALA CA C 66 50.482 52.788 -2.306 1
1 763 . 5 1 1 A 66 66 ALA CB C 66 18.108 17.300 0.808 1
1 764 . 5 1 1 A 66 66 ALA N N 66 127.348 121.514 5.834 1
1 765 . 5 1 1 A 67 67 PRO HA H 67 4.408 4.556 -0.148 1
1 772 . 5 1 1 A 67 67 PRO C C 67 177.111 175.505 1.606 1
1 773 . 5 1 1 A 67 67 PRO CA C 67 63.056 62.508 0.548 1
1 774 . 5 1 1 A 67 67 PRO CB C 67 32.074 32.502 -0.428 1
1 777 . 5 1 1 A 68 68 LYS H H 68 8.479 8.459 0.020 1
1 778 . 5 1 1 A 68 68 LYS HA H 68 4.291 4.603 -0.312 1
1 787 . 5 1 1 A 68 68 LYS C C 68 177.292 176.325 0.967 1
1 788 . 5 1 1 A 68 68 LYS CA C 68 56.322 55.673 0.649 1
1 789 . 5 1 1 A 68 68 LYS CB C 68 33.146 32.552 0.594 1
1 793 . 5 1 1 A 68 68 LYS N N 68 121.836 121.941 -0.105 1
1 794 . 5 1 1 A 69 69 GLY H H 69 8.387 8.429 -0.042 1
1 795 . 5 1 1 A 69 69 GLY HA2 H 69 3.948 4.206 -0.258 1
1 796 . 5 1 1 A 69 69 GLY HA3 H 69 3.948 4.206 -0.258 1
1 797 . 5 1 1 A 69 69 GLY C C 69 173.940 174.843 -0.903 1
1 798 . 5 1 1 A 69 69 GLY CA C 69 45.160 45.444 -0.284 1
1 799 . 5 1 1 A 69 69 GLY N N 69 109.796 111.304 -1.508 1
1 800 . 5 1 1 A 70 70 LYS H H 70 8.196 8.606 -0.410 1
1 801 . 5 1 1 A 70 70 LYS HA H 70 4.318 4.088 0.230 1
1 810 . 5 1 1 A 70 70 LYS C C 70 176.642 177.263 -0.621 1
1 811 . 5 1 1 A 70 70 LYS CA C 70 56.127 58.836 -2.709 1
1 812 . 5 1 1 A 70 70 LYS CB C 70 33.272 31.902 1.370 1
1 816 . 5 1 1 A 70 70 LYS N N 70 121.044 121.913 -0.869 1
1 817 . 5 1 1 A 71 71 LYS H H 71 8.348 8.109 0.239 1
1 818 . 5 1 1 A 71 71 LYS HA H 71 4.273 4.169 0.104 1
1 827 . 5 1 1 A 71 71 LYS C C 71 176.548 177.069 -0.521 1
1 828 . 5 1 1 A 71 71 LYS CA C 71 56.285 56.372 -0.087 1
1 829 . 5 1 1 A 71 71 LYS CB C 71 33.270 31.985 1.285 1
1 833 . 5 1 1 A 71 71 LYS N N 71 123.152 117.850 5.302 1
1 834 . 5 1 1 A 72 72 LYS H H 72 8.405 8.015 0.390 1
1 835 . 5 1 1 A 72 72 LYS HA H 72 4.273 3.948 0.325 1
1 836 . 5 1 1 A 72 72 LYS C C 72 176.499 176.949 -0.450 1
1 837 . 5 1 1 A 72 72 LYS CA C 72 56.356 59.701 -3.345 1
1 838 . 5 1 1 A 72 72 LYS CB C 72 33.146 32.383 0.763 1
1 1 . 6 1 1 A 7 7 GLY HA2 H 7 4.042 4.159 -0.117 1
1 2 . 6 1 1 A 7 7 GLY HA3 H 7 4.042 4.159 -0.117 1
1 3 . 6 1 1 A 7 7 GLY C C 7 174.377 173.995 0.382 1
1 4 . 6 1 1 A 7 7 GLY CA C 7 45.425 45.332 0.093 1
1 5 . 6 1 1 A 8 8 THR H H 8 8.131 7.824 0.307 1
1 6 . 6 1 1 A 8 8 THR HA H 8 4.448 5.094 -0.646 1
1 11 . 6 1 1 A 8 8 THR C C 8 174.773 173.788 0.985 1
1 12 . 6 1 1 A 8 8 THR CA C 8 61.787 59.794 1.993 1
1 13 . 6 1 1 A 8 8 THR CB C 8 69.913 71.108 -1.195 1
1 15 . 6 1 1 A 8 8 THR N N 8 113.630 111.123 2.507 1
1 16 . 6 1 1 A 9 9 THR H H 9 8.180 8.395 -0.215 1
1 17 . 6 1 1 A 9 9 THR HA H 9 4.355 4.798 -0.443 1
1 22 . 6 1 1 A 9 9 THR C C 9 174.203 173.551 0.652 1
1 23 . 6 1 1 A 9 9 THR CA C 9 61.892 61.887 0.005 1
1 24 . 6 1 1 A 9 9 THR CB C 9 69.891 68.982 0.909 1
1 26 . 6 1 1 A 9 9 THR N N 9 116.604 117.248 -0.644 1
1 27 . 6 1 1 A 10 10 ALA H H 10 8.405 8.355 0.050 1
1 28 . 6 1 1 A 10 10 ALA HA H 10 4.376 4.673 -0.297 1
1 32 . 6 1 1 A 10 10 ALA C C 10 177.430 177.073 0.357 1
1 33 . 6 1 1 A 10 10 ALA CA C 10 52.317 51.449 0.868 1
1 34 . 6 1 1 A 10 10 ALA CB C 10 19.506 22.430 -2.924 1
1 35 . 6 1 1 A 10 10 ALA N N 10 126.934 128.578 -1.644 1
1 36 . 6 1 1 A 11 11 LYS H H 11 8.462 9.165 -0.703 1
1 37 . 6 1 1 A 11 11 LYS HA H 11 4.575 4.008 0.567 1
1 46 . 6 1 1 A 11 11 LYS C C 11 174.921 176.469 -1.548 1
1 47 . 6 1 1 A 11 11 LYS CA C 11 55.122 61.452 -6.330 1
1 48 . 6 1 1 A 11 11 LYS CB C 11 31.910 30.686 1.224 1
1 52 . 6 1 1 A 11 11 LYS N N 11 121.526 119.752 1.774 1
1 53 . 6 1 1 A 12 12 PRO HA H 12 4.363 4.420 -0.057 1
1 60 . 6 1 1 A 12 12 PRO C C 12 178.290 177.837 0.453 1
1 61 . 6 1 1 A 12 12 PRO CA C 12 64.502 64.654 -0.152 1
1 62 . 6 1 1 A 12 12 PRO CB C 12 31.992 31.417 0.575 1
1 65 . 6 1 1 A 13 13 GLN H H 13 8.665 8.236 0.429 1
1 66 . 6 1 1 A 13 13 GLN HA H 13 4.158 4.338 -0.180 1
1 73 . 6 1 1 A 13 13 GLN C C 13 177.727 178.069 -0.342 1
1 74 . 6 1 1 A 13 13 GLN CA C 13 58.366 58.323 0.043 1
1 75 . 6 1 1 A 13 13 GLN CB C 13 28.584 29.790 -1.206 1
1 77 . 6 1 1 A 13 13 GLN N N 13 119.964 116.742 3.222 1
1 79 . 6 1 1 A 14 14 GLN H H 14 8.376 8.028 0.348 1
1 80 . 6 1 1 A 14 14 GLN HA H 14 4.217 4.081 0.136 1
1 87 . 6 1 1 A 14 14 GLN C C 14 178.304 178.174 0.130 1
1 88 . 6 1 1 A 14 14 GLN CA C 14 58.190 58.279 -0.089 1
1 89 . 6 1 1 A 14 14 GLN CB C 14 28.639 28.837 -0.198 1
1 91 . 6 1 1 A 14 14 GLN N N 14 120.039 117.919 2.120 1
1 93 . 6 1 1 A 15 15 ILE H H 15 7.802 7.610 0.192 1
1 94 . 6 1 1 A 15 15 ILE HA H 15 3.654 3.640 0.014 1
1 104 . 6 1 1 A 15 15 ILE C C 15 177.183 177.928 -0.745 1
1 105 . 6 1 1 A 15 15 ILE CA C 15 64.643 64.899 -0.256 1
1 106 . 6 1 1 A 15 15 ILE CB C 15 37.828 37.668 0.160 1
1 110 . 6 1 1 A 15 15 ILE N N 15 119.981 121.638 -1.657 1
1 111 . 6 1 1 A 16 16 GLN H H 16 8.159 8.153 0.006 1
1 112 . 6 1 1 A 16 16 GLN HA H 16 3.958 4.000 -0.042 1
1 119 . 6 1 1 A 16 16 GLN C C 16 177.647 178.199 -0.552 1
1 120 . 6 1 1 A 16 16 GLN CA C 16 58.648 59.027 -0.379 1
1 121 . 6 1 1 A 16 16 GLN CB C 16 28.531 28.285 0.246 1
1 123 . 6 1 1 A 16 16 GLN N N 16 119.695 119.945 -0.250 1
1 125 . 6 1 1 A 17 17 ALA H H 17 7.946 7.760 0.186 1
1 126 . 6 1 1 A 17 17 ALA HA H 17 4.239 4.071 0.168 1
1 130 . 6 1 1 A 17 17 ALA C C 17 180.910 179.901 1.009 1
1 131 . 6 1 1 A 17 17 ALA CA C 17 55.106 54.999 0.107 1
1 132 . 6 1 1 A 17 17 ALA CB C 17 17.990 18.101 -0.111 1
1 133 . 6 1 1 A 17 17 ALA N N 17 120.227 121.684 -1.457 1
1 134 . 6 1 1 A 18 18 LEU H H 18 7.682 8.518 -0.836 1
1 135 . 6 1 1 A 18 18 LEU HA H 18 4.187 3.873 0.314 1
1 145 . 6 1 1 A 18 18 LEU C C 18 178.977 178.824 0.153 1
1 146 . 6 1 1 A 18 18 LEU CA C 18 57.890 58.134 -0.244 1
1 147 . 6 1 1 A 18 18 LEU CB C 18 43.361 41.872 1.489 1
1 151 . 6 1 1 A 18 18 LEU N N 18 119.764 118.691 1.073 1
1 152 . 6 1 1 A 19 19 MET H H 19 8.699 8.431 0.268 1
1 153 . 6 1 1 A 19 19 MET HA H 19 3.965 4.043 -0.078 1
1 161 . 6 1 1 A 19 19 MET C C 19 179.207 178.056 1.151 1
1 162 . 6 1 1 A 19 19 MET CA C 19 59.794 59.008 0.786 1
1 163 . 6 1 1 A 19 19 MET CB C 19 32.445 32.717 -0.272 1
1 166 . 6 1 1 A 19 19 MET N N 19 119.982 116.811 3.171 1
1 167 . 6 1 1 A 20 20 ASP H H 20 8.435 7.730 0.705 1
1 168 . 6 1 1 A 20 20 ASP HA H 20 4.453 4.298 0.155 1
1 171 . 6 1 1 A 20 20 ASP C C 20 179.127 178.204 0.923 1
1 172 . 6 1 1 A 20 20 ASP CA C 20 57.449 57.211 0.238 1
1 173 . 6 1 1 A 20 20 ASP CB C 20 39.986 41.388 -1.402 1
1 174 . 6 1 1 A 20 20 ASP N N 20 120.434 120.536 -0.102 1
1 175 . 6 1 1 A 21 21 GLU H H 21 8.150 8.047 0.103 1
1 176 . 6 1 1 A 21 21 GLU HA H 21 4.168 4.091 0.077 1
1 181 . 6 1 1 A 21 21 GLU C C 21 179.405 178.999 0.406 1
1 182 . 6 1 1 A 21 21 GLU CA C 21 59.477 59.117 0.360 1
1 183 . 6 1 1 A 21 21 GLU CB C 21 29.441 29.412 0.029 1
1 185 . 6 1 1 A 21 21 GLU N N 21 122.159 117.723 4.436 1
1 186 . 6 1 1 A 22 22 VAL H H 22 8.754 8.228 0.526 1
1 187 . 6 1 1 A 22 22 VAL HA H 22 3.484 3.685 -0.201 1
1 195 . 6 1 1 A 22 22 VAL C C 22 179.177 178.716 0.461 1
1 196 . 6 1 1 A 22 22 VAL CA C 22 67.545 66.087 1.458 1
1 197 . 6 1 1 A 22 22 VAL CB C 22 31.712 31.601 0.111 1
1 200 . 6 1 1 A 22 22 VAL N N 22 121.967 121.486 0.481 1
1 201 . 6 1 1 A 23 23 THR H H 23 8.410 7.997 0.413 1
1 202 . 6 1 1 A 23 23 THR HA H 23 3.888 3.937 -0.049 1
1 207 . 6 1 1 A 23 23 THR C C 23 176.515 176.086 0.429 1
1 208 . 6 1 1 A 23 23 THR CA C 23 66.706 67.267 -0.561 1
1 209 . 6 1 1 A 23 23 THR CB C 23 68.646 68.716 -0.070 1
1 211 . 6 1 1 A 23 23 THR N N 23 119.619 116.517 3.102 1
1 212 . 6 1 1 A 24 24 LYS H H 24 8.179 8.028 0.151 1
1 213 . 6 1 1 A 24 24 LYS HA H 24 4.055 3.884 0.171 1
1 219 . 6 1 1 A 24 24 LYS C C 24 179.223 178.710 0.513 1
1 220 . 6 1 1 A 24 24 LYS CA C 24 59.865 59.907 -0.042 1
1 221 . 6 1 1 A 24 24 LYS CB C 24 32.733 32.158 0.575 1
1 225 . 6 1 1 A 24 24 LYS N N 24 122.464 121.091 1.373 1
1 226 . 6 1 1 A 25 25 GLN H H 25 8.791 8.128 0.663 1
1 227 . 6 1 1 A 25 25 GLN HA H 25 4.266 3.980 0.286 1
1 234 . 6 1 1 A 25 25 GLN C C 25 178.359 178.816 -0.457 1
1 235 . 6 1 1 A 25 25 GLN CA C 25 57.273 59.471 -2.198 1
1 236 . 6 1 1 A 25 25 GLN CB C 25 26.830 28.667 -1.837 1
1 238 . 6 1 1 A 25 25 GLN N N 25 120.181 118.765 1.416 1
1 240 . 6 1 1 A 26 26 GLY H H 26 8.828 7.884 0.944 1
1 241 . 6 1 1 A 26 26 GLY HA2 H 26 4.099 3.796 0.303 1
1 242 . 6 1 1 A 26 26 GLY HA3 H 26 3.788 3.796 -0.008 1
1 243 . 6 1 1 A 26 26 GLY C C 26 176.618 176.022 0.596 1
1 244 . 6 1 1 A 26 26 GLY CA C 26 47.161 47.336 -0.175 1
1 245 . 6 1 1 A 26 26 GLY N N 26 108.597 107.518 1.079 1
1 246 . 6 1 1 A 27 27 ASN H H 27 7.910 7.627 0.283 1
1 247 . 6 1 1 A 27 27 ASN HA H 27 4.582 4.430 0.152 1
1 252 . 6 1 1 A 27 27 ASN C C 27 177.317 177.986 -0.669 1
1 253 . 6 1 1 A 27 27 ASN CA C 27 56.074 55.366 0.708 1
1 254 . 6 1 1 A 27 27 ASN CB C 27 37.729 38.394 -0.665 1
1 255 . 6 1 1 A 27 27 ASN N N 27 121.818 119.746 2.072 1
1 257 . 6 1 1 A 28 28 ILE H H 28 7.811 7.686 0.125 1
1 258 . 6 1 1 A 28 28 ILE HA H 28 3.789 3.670 0.119 1
1 268 . 6 1 1 A 28 28 ILE C C 28 178.445 178.487 -0.042 1
1 269 . 6 1 1 A 28 28 ILE CA C 28 65.117 64.859 0.258 1
1 270 . 6 1 1 A 28 28 ILE CB C 28 37.914 37.891 0.023 1
1 274 . 6 1 1 A 28 28 ILE N N 28 123.083 120.277 2.806 1
1 275 . 6 1 1 A 29 29 VAL H H 29 8.018 8.241 -0.223 1
1 276 . 6 1 1 A 29 29 VAL HA H 29 3.399 3.661 -0.262 1
1 284 . 6 1 1 A 29 29 VAL C C 29 176.953 178.383 -1.430 1
1 285 . 6 1 1 A 29 29 VAL CA C 29 67.541 66.952 0.589 1
1 286 . 6 1 1 A 29 29 VAL CB C 29 32.013 31.423 0.590 1
1 289 . 6 1 1 A 29 29 VAL N N 29 119.117 119.961 -0.844 1
1 290 . 6 1 1 A 30 30 ARG H H 30 7.965 8.196 -0.231 1
1 291 . 6 1 1 A 30 30 ARG HA H 30 3.928 3.941 -0.013 1
1 298 . 6 1 1 A 30 30 ARG C C 30 179.609 178.412 1.197 1
1 299 . 6 1 1 A 30 30 ARG CA C 30 60.006 59.919 0.087 1
1 300 . 6 1 1 A 30 30 ARG CB C 30 30.302 29.760 0.542 1
1 303 . 6 1 1 A 30 30 ARG N N 30 118.510 119.624 -1.114 1
1 304 . 6 1 1 A 31 31 GLU H H 31 8.211 8.515 -0.304 1
1 305 . 6 1 1 A 31 31 GLU HA H 31 4.167 4.098 0.069 1
1 310 . 6 1 1 A 31 31 GLU C C 31 178.910 179.126 -0.216 1
1 311 . 6 1 1 A 31 31 GLU CA C 31 59.195 59.147 0.048 1
1 312 . 6 1 1 A 31 31 GLU CB C 31 29.437 29.208 0.229 1
1 314 . 6 1 1 A 31 31 GLU N N 31 120.110 117.565 2.545 1
1 315 . 6 1 1 A 32 32 LEU H H 32 8.287 8.464 -0.177 1
1 316 . 6 1 1 A 32 32 LEU HA H 32 4.021 3.873 0.148 1
1 326 . 6 1 1 A 32 32 LEU C C 32 179.931 179.412 0.519 1
1 327 . 6 1 1 A 32 32 LEU CA C 32 57.979 57.694 0.285 1
1 328 . 6 1 1 A 32 32 LEU CB C 32 42.524 41.492 1.032 1
1 332 . 6 1 1 A 32 32 LEU N N 32 120.148 121.384 -1.236 1
1 333 . 6 1 1 A 33 33 LYS H H 33 8.205 7.886 0.319 1
1 334 . 6 1 1 A 33 33 LYS HA H 33 4.048 4.018 0.030 1
1 343 . 6 1 1 A 33 33 LYS C C 33 180.739 179.510 1.229 1
1 344 . 6 1 1 A 33 33 LYS CA C 33 59.883 59.878 0.005 1
1 345 . 6 1 1 A 33 33 LYS CB C 33 32.569 32.294 0.275 1
1 349 . 6 1 1 A 33 33 LYS N N 33 117.234 117.868 -0.634 1
1 350 . 6 1 1 A 34 34 ALA H H 34 8.101 7.843 0.258 1
1 351 . 6 1 1 A 34 34 ALA HA H 34 4.185 4.089 0.096 1
1 355 . 6 1 1 A 34 34 ALA C C 34 179.304 178.623 0.681 1
1 356 . 6 1 1 A 34 34 ALA CA C 34 54.734 54.678 0.056 1
1 357 . 6 1 1 A 34 34 ALA CB C 34 18.190 18.448 -0.258 1
1 358 . 6 1 1 A 34 34 ALA N N 34 123.540 121.609 1.931 1
1 359 . 6 1 1 A 35 35 GLN H H 35 7.815 7.865 -0.050 1
1 360 . 6 1 1 A 35 35 GLN HA H 35 4.299 4.216 0.083 1
1 367 . 6 1 1 A 35 35 GLN C C 35 175.344 175.559 -0.215 1
1 368 . 6 1 1 A 35 35 GLN CA C 35 55.342 54.803 0.539 1
1 369 . 6 1 1 A 35 35 GLN CB C 35 28.819 27.487 1.332 1
1 371 . 6 1 1 A 35 35 GLN N N 35 115.126 113.127 1.999 1
1 373 . 6 1 1 A 36 36 LYS H H 36 7.948 7.812 0.136 1
1 374 . 6 1 1 A 36 36 LYS HA H 36 3.963 3.799 0.164 1
1 382 . 6 1 1 A 36 36 LYS C C 36 175.883 175.625 0.258 1
1 383 . 6 1 1 A 36 36 LYS CA C 36 56.872 57.191 -0.319 1
1 384 . 6 1 1 A 36 36 LYS CB C 36 28.917 29.719 -0.802 1
1 388 . 6 1 1 A 36 36 LYS N N 36 117.310 114.487 2.823 1
1 389 . 6 1 1 A 37 37 ALA H H 37 7.646 7.306 0.340 1
1 390 . 6 1 1 A 37 37 ALA HA H 37 4.226 4.234 -0.008 1
1 394 . 6 1 1 A 37 37 ALA C C 37 176.094 176.397 -0.303 1
1 395 . 6 1 1 A 37 37 ALA CA C 37 52.143 52.721 -0.578 1
1 396 . 6 1 1 A 37 37 ALA CB C 37 20.742 19.757 0.985 1
1 397 . 6 1 1 A 37 37 ALA N N 37 120.112 119.231 0.881 1
1 398 . 6 1 1 A 38 38 ASP H H 38 8.474 8.472 0.002 1
1 399 . 6 1 1 A 38 38 ASP HA H 38 4.387 4.482 -0.095 1
1 402 . 6 1 1 A 38 38 ASP C C 38 177.481 177.595 -0.114 1
1 403 . 6 1 1 A 38 38 ASP CA C 38 54.992 54.486 0.506 1
1 404 . 6 1 1 A 38 38 ASP CB C 38 43.156 42.813 0.343 1
1 405 . 6 1 1 A 38 38 ASP N N 38 119.141 121.257 -2.116 1
1 406 . 6 1 1 A 39 39 LYS H H 39 8.703 8.540 0.163 1
1 407 . 6 1 1 A 39 39 LYS HA H 39 3.967 3.930 0.037 1
1 414 . 6 1 1 A 39 39 LYS C C 39 178.806 178.715 0.091 1
1 415 . 6 1 1 A 39 39 LYS CA C 39 59.547 60.118 -0.571 1
1 416 . 6 1 1 A 39 39 LYS CB C 39 32.222 32.223 -0.001 1
1 420 . 6 1 1 A 39 39 LYS N N 39 124.290 126.202 -1.912 1
1 421 . 6 1 1 A 40 40 ASN H H 40 8.873 8.326 0.547 1
1 422 . 6 1 1 A 40 40 ASN HA H 40 4.571 4.374 0.197 1
1 427 . 6 1 1 A 40 40 ASN C C 40 178.014 177.775 0.239 1
1 428 . 6 1 1 A 40 40 ASN CA C 40 56.091 56.551 -0.460 1
1 429 . 6 1 1 A 40 40 ASN CB C 40 37.900 39.721 -1.821 1
1 430 . 6 1 1 A 40 40 ASN N N 40 119.722 118.178 1.544 1
1 432 . 6 1 1 A 41 41 GLU H H 41 7.881 8.187 -0.306 1
1 433 . 6 1 1 A 41 41 GLU HA H 41 4.192 3.993 0.199 1
1 438 . 6 1 1 A 41 41 GLU C C 41 178.917 179.476 -0.559 1
1 439 . 6 1 1 A 41 41 GLU CA C 41 59.213 59.456 -0.243 1
1 440 . 6 1 1 A 41 41 GLU CB C 41 29.520 29.236 0.284 1
1 442 . 6 1 1 A 41 41 GLU N N 41 124.025 117.986 6.039 1
1 443 . 6 1 1 A 42 42 VAL H H 42 8.061 8.493 -0.432 1
1 444 . 6 1 1 A 42 42 VAL HA H 42 3.397 3.591 -0.194 1
1 452 . 6 1 1 A 42 42 VAL C C 42 177.701 177.945 -0.244 1
1 453 . 6 1 1 A 42 42 VAL CA C 42 67.341 66.335 1.006 1
1 454 . 6 1 1 A 42 42 VAL CB C 42 32.075 31.677 0.398 1
1 457 . 6 1 1 A 42 42 VAL N N 42 117.921 120.968 -3.047 1
1 458 . 6 1 1 A 43 43 ALA H H 43 8.136 8.743 -0.607 1
1 459 . 6 1 1 A 43 43 ALA HA H 43 4.101 3.953 0.148 1
1 463 . 6 1 1 A 43 43 ALA C C 43 180.808 179.514 1.294 1
1 464 . 6 1 1 A 43 43 ALA CA C 43 55.404 55.630 -0.226 1
1 465 . 6 1 1 A 43 43 ALA CB C 43 17.722 18.449 -0.727 1
1 466 . 6 1 1 A 43 43 ALA N N 43 119.833 122.240 -2.407 1
1 467 . 6 1 1 A 44 44 ALA H H 44 7.664 7.896 -0.232 1
1 468 . 6 1 1 A 44 44 ALA HA H 44 4.234 4.018 0.216 1
1 472 . 6 1 1 A 44 44 ALA C C 44 180.953 180.354 0.599 1
1 473 . 6 1 1 A 44 44 ALA CA C 44 55.122 55.369 -0.247 1
1 474 . 6 1 1 A 44 44 ALA CB C 44 18.229 18.492 -0.263 1
1 475 . 6 1 1 A 44 44 ALA N N 44 121.026 119.486 1.540 1
1 476 . 6 1 1 A 45 45 GLU H H 45 7.837 8.215 -0.378 1
1 477 . 6 1 1 A 45 45 GLU HA H 45 4.447 4.032 0.415 1
1 482 . 6 1 1 A 45 45 GLU C C 45 180.357 179.737 0.620 1
1 483 . 6 1 1 A 45 45 GLU CA C 45 57.467 59.439 -1.972 1
1 484 . 6 1 1 A 45 45 GLU CB C 45 28.255 29.267 -1.012 1
1 486 . 6 1 1 A 45 45 GLU N N 45 118.409 118.075 0.334 1
1 487 . 6 1 1 A 46 46 VAL H H 46 9.024 8.140 0.884 1
1 488 . 6 1 1 A 46 46 VAL HA H 46 3.638 3.546 0.092 1
1 496 . 6 1 1 A 46 46 VAL C C 46 177.712 177.805 -0.093 1
1 497 . 6 1 1 A 46 46 VAL CA C 46 66.961 66.874 0.087 1
1 498 . 6 1 1 A 46 46 VAL CB C 46 31.910 31.473 0.437 1
1 501 . 6 1 1 A 46 46 VAL N N 46 124.975 120.952 4.023 1
1 502 . 6 1 1 A 47 47 ALA H H 47 8.130 8.296 -0.166 1
1 503 . 6 1 1 A 47 47 ALA HA H 47 4.093 4.004 0.089 1
1 507 . 6 1 1 A 47 47 ALA C C 47 180.853 178.993 1.860 1
1 508 . 6 1 1 A 47 47 ALA CA C 47 55.545 55.718 -0.173 1
1 509 . 6 1 1 A 47 47 ALA CB C 47 17.683 18.348 -0.665 1
1 510 . 6 1 1 A 47 47 ALA N N 47 122.493 121.526 0.967 1
1 511 . 6 1 1 A 48 48 LYS H H 48 7.442 8.032 -0.590 1
1 512 . 6 1 1 A 48 48 LYS HA H 48 4.183 3.941 0.242 1
1 521 . 6 1 1 A 48 48 LYS C C 48 178.698 178.418 0.280 1
1 522 . 6 1 1 A 48 48 LYS CA C 48 59.389 59.928 -0.539 1
1 523 . 6 1 1 A 48 48 LYS CB C 48 32.610 32.253 0.357 1
1 527 . 6 1 1 A 48 48 LYS N N 48 118.186 118.446 -0.260 1
1 528 . 6 1 1 A 49 49 LEU H H 49 7.822 8.640 -0.818 1
1 529 . 6 1 1 A 49 49 LEU HA H 49 4.012 4.014 -0.002 1
1 539 . 6 1 1 A 49 49 LEU C C 49 177.582 178.411 -0.829 1
1 540 . 6 1 1 A 49 49 LEU CA C 49 58.490 58.277 0.213 1
1 541 . 6 1 1 A 49 49 LEU CB C 49 42.119 41.582 0.537 1
1 545 . 6 1 1 A 49 49 LEU N N 49 120.499 120.631 -0.132 1
1 546 . 6 1 1 A 50 50 LEU H H 50 8.565 8.348 0.217 1
1 547 . 6 1 1 A 50 50 LEU HA H 50 3.994 3.917 0.077 1
1 557 . 6 1 1 A 50 50 LEU C C 50 180.128 179.128 1.000 1
1 558 . 6 1 1 A 50 50 LEU CA C 50 58.330 57.906 0.424 1
1 559 . 6 1 1 A 50 50 LEU CB C 50 41.060 41.517 -0.457 1
1 563 . 6 1 1 A 50 50 LEU N N 50 118.622 119.204 -0.582 1
1 564 . 6 1 1 A 51 51 ASP H H 51 7.962 7.732 0.230 1
1 565 . 6 1 1 A 51 51 ASP HA H 51 4.480 4.394 0.086 1
1 568 . 6 1 1 A 51 51 ASP C C 51 178.808 178.809 -0.001 1
1 569 . 6 1 1 A 51 51 ASP CA C 51 57.802 56.938 0.864 1
1 570 . 6 1 1 A 51 51 ASP CB C 51 41.435 40.946 0.489 1
1 571 . 6 1 1 A 51 51 ASP N N 51 120.483 120.191 0.292 1
1 572 . 6 1 1 A 52 52 LEU H H 52 8.228 8.211 0.017 1
1 573 . 6 1 1 A 52 52 LEU HA H 52 4.006 3.882 0.124 1
1 583 . 6 1 1 A 52 52 LEU C C 52 179.173 179.603 -0.430 1
1 584 . 6 1 1 A 52 52 LEU CA C 52 58.190 58.040 0.150 1
1 585 . 6 1 1 A 52 52 LEU CB C 52 43.222 41.689 1.533 1
1 589 . 6 1 1 A 52 52 LEU N N 52 121.105 120.063 1.042 1
1 590 . 6 1 1 A 53 53 LYS H H 53 8.531 7.856 0.675 1
1 591 . 6 1 1 A 53 53 LYS HA H 53 3.872 3.909 -0.037 1
1 600 . 6 1 1 A 53 53 LYS C C 53 179.984 178.990 0.994 1
1 601 . 6 1 1 A 53 53 LYS CA C 53 60.699 60.201 0.498 1
1 602 . 6 1 1 A 53 53 LYS CB C 53 32.239 32.124 0.115 1
1 606 . 6 1 1 A 53 53 LYS N N 53 118.013 118.434 -0.421 1
1 607 . 6 1 1 A 54 54 LYS H H 54 8.090 8.375 -0.285 1
1 608 . 6 1 1 A 54 54 LYS HA H 54 4.165 4.130 0.035 1
1 616 . 6 1 1 A 54 54 LYS C C 54 178.638 179.163 -0.525 1
1 617 . 6 1 1 A 54 54 LYS CA C 54 59.847 59.084 0.763 1
1 618 . 6 1 1 A 54 54 LYS CB C 54 32.116 32.245 -0.129 1
1 622 . 6 1 1 A 54 54 LYS N N 54 122.616 119.060 3.556 1
1 623 . 6 1 1 A 55 55 GLN H H 55 8.214 8.319 -0.105 1
1 624 . 6 1 1 A 55 55 GLN HA H 55 3.976 4.061 -0.085 1
1 631 . 6 1 1 A 55 55 GLN C C 55 179.696 178.546 1.150 1
1 632 . 6 1 1 A 55 55 GLN CA C 55 59.177 58.684 0.493 1
1 633 . 6 1 1 A 55 55 GLN CB C 55 29.400 28.109 1.291 1
1 635 . 6 1 1 A 55 55 GLN N N 55 119.132 119.352 -0.220 1
1 637 . 6 1 1 A 56 56 LEU H H 56 8.506 8.237 0.269 1
1 638 . 6 1 1 A 56 56 LEU HA H 56 4.116 4.180 -0.064 1
1 648 . 6 1 1 A 56 56 LEU C C 56 176.782 178.193 -1.411 1
1 649 . 6 1 1 A 56 56 LEU CA C 56 57.925 58.026 -0.101 1
1 650 . 6 1 1 A 56 56 LEU CB C 56 41.465 41.744 -0.279 1
1 654 . 6 1 1 A 56 56 LEU N N 56 122.033 121.968 0.065 1
1 655 . 6 1 1 A 57 57 ALA H H 57 7.896 8.333 -0.437 1
1 656 . 6 1 1 A 57 57 ALA HA H 57 4.232 3.971 0.261 1
1 660 . 6 1 1 A 57 57 ALA C C 57 180.928 179.901 1.027 1
1 661 . 6 1 1 A 57 57 ALA CA C 57 55.246 55.370 -0.124 1
1 662 . 6 1 1 A 57 57 ALA CB C 57 17.776 18.318 -0.542 1
1 663 . 6 1 1 A 57 57 ALA N N 57 121.379 120.818 0.561 1
1 664 . 6 1 1 A 58 58 VAL H H 58 7.973 8.013 -0.040 1
1 665 . 6 1 1 A 58 58 VAL HA H 58 3.761 3.706 0.055 1
1 673 . 6 1 1 A 58 58 VAL C C 58 179.410 177.904 1.506 1
1 674 . 6 1 1 A 58 58 VAL CA C 58 65.807 66.770 -0.963 1
1 675 . 6 1 1 A 58 58 VAL CB C 58 31.978 31.537 0.441 1
1 678 . 6 1 1 A 58 58 VAL N N 58 117.592 118.465 -0.873 1
1 679 . 6 1 1 A 59 59 ALA H H 59 8.024 8.255 -0.231 1
1 680 . 6 1 1 A 59 59 ALA HA H 59 4.133 3.987 0.146 1
1 684 . 6 1 1 A 59 59 ALA C C 59 179.359 179.907 -0.548 1
1 685 . 6 1 1 A 59 59 ALA CA C 59 54.805 55.786 -0.981 1
1 686 . 6 1 1 A 59 59 ALA CB C 59 18.513 18.507 0.006 1
1 687 . 6 1 1 A 59 59 ALA N N 59 124.023 121.587 2.436 1
1 688 . 6 1 1 A 60 60 GLU H H 60 8.334 7.703 0.631 1
1 689 . 6 1 1 A 60 60 GLU HA H 60 4.143 4.108 0.035 1
1 694 . 6 1 1 A 60 60 GLU C C 60 177.391 176.372 1.019 1
1 695 . 6 1 1 A 60 60 GLU CA C 60 57.915 58.322 -0.407 1
1 696 . 6 1 1 A 60 60 GLU CB C 60 30.962 30.237 0.725 1
1 698 . 6 1 1 A 60 60 GLU N N 60 115.335 116.695 -1.360 1
1 699 . 6 1 1 A 61 61 GLY H H 61 7.845 7.883 -0.038 1
1 700 . 6 1 1 A 61 61 GLY HA2 H 61 3.958 4.030 -0.072 1
1 701 . 6 1 1 A 61 61 GLY HA3 H 61 3.958 4.030 -0.072 1
1 702 . 6 1 1 A 61 61 GLY C C 61 174.090 174.886 -0.796 1
1 703 . 6 1 1 A 61 61 GLY CA C 61 45.654 45.445 0.209 1
1 704 . 6 1 1 A 61 61 GLY N N 61 107.486 107.093 0.393 1
1 705 . 6 1 1 A 62 62 LYS H H 62 8.068 7.795 0.273 1
1 706 . 6 1 1 A 62 62 LYS HA H 62 4.612 4.343 0.269 1
1 715 . 6 1 1 A 62 62 LYS C C 62 174.023 174.475 -0.452 1
1 716 . 6 1 1 A 62 62 LYS CA C 62 54.147 54.980 -0.833 1
1 717 . 6 1 1 A 62 62 LYS CB C 62 32.651 31.875 0.776 1
1 721 . 6 1 1 A 62 62 LYS N N 62 121.672 121.371 0.301 1
1 722 . 6 1 1 A 63 63 PRO HA H 63 4.692 4.697 -0.005 1
1 729 . 6 1 1 A 63 63 PRO CA C 63 61.351 61.474 -0.123 1
1 730 . 6 1 1 A 63 63 PRO CB C 63 30.892 31.245 -0.353 1
1 733 . 6 1 1 A 64 64 PRO HA H 64 4.408 4.523 -0.115 1
1 740 . 6 1 1 A 64 64 PRO C C 64 176.775 177.344 -0.569 1
1 741 . 6 1 1 A 64 64 PRO CA C 64 62.926 62.296 0.630 1
1 742 . 6 1 1 A 64 64 PRO CB C 64 32.074 33.099 -1.025 1
1 745 . 6 1 1 A 65 65 GLU H H 65 8.396 8.692 -0.296 1
1 746 . 6 1 1 A 65 65 GLU HA H 65 4.243 3.950 0.293 1
1 751 . 6 1 1 A 65 65 GLU C C 65 175.888 176.609 -0.721 1
1 752 . 6 1 1 A 65 65 GLU CA C 65 56.083 60.089 -4.006 1
1 753 . 6 1 1 A 65 65 GLU CB C 65 30.722 29.573 1.149 1
1 755 . 6 1 1 A 65 65 GLU N N 65 121.093 121.070 0.023 1
1 756 . 6 1 1 A 66 66 ALA H H 66 8.434 7.836 0.598 1
1 757 . 6 1 1 A 66 66 ALA HA H 66 4.583 3.927 0.656 1
1 761 . 6 1 1 A 66 66 ALA C C 66 175.504 175.853 -0.349 1
1 762 . 6 1 1 A 66 66 ALA CA C 66 50.482 52.794 -2.312 1
1 763 . 6 1 1 A 66 66 ALA CB C 66 18.108 17.289 0.819 1
1 764 . 6 1 1 A 66 66 ALA N N 66 127.348 120.153 7.195 1
1 765 . 6 1 1 A 67 67 PRO HA H 67 4.408 4.546 -0.138 1
1 772 . 6 1 1 A 67 67 PRO C C 67 177.111 176.012 1.099 1
1 773 . 6 1 1 A 67 67 PRO CA C 67 63.056 62.371 0.685 1
1 774 . 6 1 1 A 67 67 PRO CB C 67 32.074 32.884 -0.810 1
1 777 . 6 1 1 A 68 68 LYS H H 68 8.479 8.420 0.059 1
1 778 . 6 1 1 A 68 68 LYS HA H 68 4.291 4.486 -0.195 1
1 787 . 6 1 1 A 68 68 LYS C C 68 177.292 176.186 1.106 1
1 788 . 6 1 1 A 68 68 LYS CA C 68 56.322 56.631 -0.309 1
1 789 . 6 1 1 A 68 68 LYS CB C 68 33.146 33.729 -0.583 1
1 793 . 6 1 1 A 68 68 LYS N N 68 121.836 121.842 -0.006 1
1 794 . 6 1 1 A 69 69 GLY H H 69 8.387 8.343 0.044 1
1 795 . 6 1 1 A 69 69 GLY HA2 H 69 3.948 4.156 -0.208 1
1 796 . 6 1 1 A 69 69 GLY HA3 H 69 3.948 4.156 -0.208 1
1 797 . 6 1 1 A 69 69 GLY C C 69 173.940 173.131 0.809 1
1 798 . 6 1 1 A 69 69 GLY CA C 69 45.160 46.045 -0.885 1
1 799 . 6 1 1 A 69 69 GLY N N 69 109.796 111.982 -2.186 1
1 800 . 6 1 1 A 70 70 LYS H H 70 8.196 8.608 -0.412 1
1 801 . 6 1 1 A 70 70 LYS HA H 70 4.318 4.520 -0.202 1
1 810 . 6 1 1 A 70 70 LYS C C 70 176.642 175.134 1.508 1
1 811 . 6 1 1 A 70 70 LYS CA C 70 56.127 55.055 1.072 1
1 812 . 6 1 1 A 70 70 LYS CB C 70 33.272 33.334 -0.062 1
1 816 . 6 1 1 A 70 70 LYS N N 70 121.044 124.883 -3.839 1
1 817 . 6 1 1 A 71 71 LYS H H 71 8.348 7.502 0.846 1
1 818 . 6 1 1 A 71 71 LYS HA H 71 4.273 4.739 -0.466 1
1 827 . 6 1 1 A 71 71 LYS C C 71 176.548 174.421 2.127 1
1 828 . 6 1 1 A 71 71 LYS CA C 71 56.285 55.712 0.573 1
1 829 . 6 1 1 A 71 71 LYS CB C 71 33.270 36.371 -3.101 1
1 833 . 6 1 1 A 71 71 LYS N N 71 123.152 122.756 0.396 1
1 834 . 6 1 1 A 72 72 LYS H H 72 8.405 8.255 0.150 1
1 835 . 6 1 1 A 72 72 LYS HA H 72 4.273 4.556 -0.283 1
1 836 . 6 1 1 A 72 72 LYS C C 72 176.499 177.089 -0.590 1
1 837 . 6 1 1 A 72 72 LYS CA C 72 56.356 56.949 -0.593 1
1 838 . 6 1 1 A 72 72 LYS CB C 72 33.146 34.590 -1.444 1
1 1 . 7 1 1 A 7 7 GLY HA2 H 7 4.042 4.059 -0.017 1
1 2 . 7 1 1 A 7 7 GLY HA3 H 7 4.042 4.059 -0.017 1
1 3 . 7 1 1 A 7 7 GLY C C 7 174.377 174.565 -0.188 1
1 4 . 7 1 1 A 7 7 GLY CA C 7 45.425 44.986 0.439 1
1 5 . 7 1 1 A 8 8 THR H H 8 8.131 8.147 -0.016 1
1 6 . 7 1 1 A 8 8 THR HA H 8 4.448 4.341 0.107 1
1 11 . 7 1 1 A 8 8 THR C C 8 174.773 175.104 -0.331 1
1 12 . 7 1 1 A 8 8 THR CA C 8 61.787 62.089 -0.302 1
1 13 . 7 1 1 A 8 8 THR CB C 8 69.913 68.781 1.132 1
1 15 . 7 1 1 A 8 8 THR N N 8 113.630 115.519 -1.889 1
1 16 . 7 1 1 A 9 9 THR H H 9 8.180 7.588 0.592 1
1 17 . 7 1 1 A 9 9 THR HA H 9 4.355 4.492 -0.137 1
1 22 . 7 1 1 A 9 9 THR C C 9 174.203 174.810 -0.607 1
1 23 . 7 1 1 A 9 9 THR CA C 9 61.892 62.568 -0.676 1
1 24 . 7 1 1 A 9 9 THR CB C 9 69.891 69.745 0.146 1
1 26 . 7 1 1 A 9 9 THR N N 9 116.604 113.840 2.764 1
1 27 . 7 1 1 A 10 10 ALA H H 10 8.405 7.753 0.652 1
1 28 . 7 1 1 A 10 10 ALA HA H 10 4.376 4.386 -0.010 1
1 32 . 7 1 1 A 10 10 ALA C C 10 177.430 177.630 -0.200 1
1 33 . 7 1 1 A 10 10 ALA CA C 10 52.317 51.785 0.532 1
1 34 . 7 1 1 A 10 10 ALA CB C 10 19.506 20.030 -0.524 1
1 35 . 7 1 1 A 10 10 ALA N N 10 126.934 123.511 3.423 1
1 36 . 7 1 1 A 11 11 LYS H H 11 8.462 9.040 -0.578 1
1 37 . 7 1 1 A 11 11 LYS HA H 11 4.575 3.982 0.593 1
1 46 . 7 1 1 A 11 11 LYS C C 11 174.921 176.401 -1.480 1
1 47 . 7 1 1 A 11 11 LYS CA C 11 55.122 61.455 -6.333 1
1 48 . 7 1 1 A 11 11 LYS CB C 11 31.910 30.488 1.422 1
1 52 . 7 1 1 A 11 11 LYS N N 11 121.526 124.439 -2.913 1
1 53 . 7 1 1 A 12 12 PRO HA H 12 4.363 4.421 -0.058 1
1 60 . 7 1 1 A 12 12 PRO C C 12 178.290 178.658 -0.368 1
1 61 . 7 1 1 A 12 12 PRO CA C 12 64.502 64.708 -0.206 1
1 62 . 7 1 1 A 12 12 PRO CB C 12 31.992 31.381 0.611 1
1 65 . 7 1 1 A 13 13 GLN H H 13 8.665 8.226 0.439 1
1 66 . 7 1 1 A 13 13 GLN HA H 13 4.158 4.328 -0.170 1
1 73 . 7 1 1 A 13 13 GLN C C 13 177.727 177.726 0.001 1
1 74 . 7 1 1 A 13 13 GLN CA C 13 58.366 58.517 -0.151 1
1 75 . 7 1 1 A 13 13 GLN CB C 13 28.584 29.300 -0.716 1
1 77 . 7 1 1 A 13 13 GLN N N 13 119.964 117.593 2.371 1
1 79 . 7 1 1 A 14 14 GLN H H 14 8.376 8.459 -0.083 1
1 80 . 7 1 1 A 14 14 GLN HA H 14 4.217 4.082 0.135 1
1 87 . 7 1 1 A 14 14 GLN C C 14 178.304 178.149 0.155 1
1 88 . 7 1 1 A 14 14 GLN CA C 14 58.190 58.224 -0.034 1
1 89 . 7 1 1 A 14 14 GLN CB C 14 28.639 28.238 0.401 1
1 91 . 7 1 1 A 14 14 GLN N N 14 120.039 117.096 2.943 1
1 93 . 7 1 1 A 15 15 ILE H H 15 7.802 7.687 0.115 1
1 94 . 7 1 1 A 15 15 ILE HA H 15 3.654 3.653 0.001 1
1 104 . 7 1 1 A 15 15 ILE C C 15 177.183 177.947 -0.764 1
1 105 . 7 1 1 A 15 15 ILE CA C 15 64.643 64.806 -0.163 1
1 106 . 7 1 1 A 15 15 ILE CB C 15 37.828 37.767 0.061 1
1 110 . 7 1 1 A 15 15 ILE N N 15 119.981 121.334 -1.353 1
1 111 . 7 1 1 A 16 16 GLN H H 16 8.159 8.133 0.026 1
1 112 . 7 1 1 A 16 16 GLN HA H 16 3.958 4.004 -0.046 1
1 119 . 7 1 1 A 16 16 GLN C C 16 177.647 178.069 -0.422 1
1 120 . 7 1 1 A 16 16 GLN CA C 16 58.648 59.010 -0.362 1
1 121 . 7 1 1 A 16 16 GLN CB C 16 28.531 28.537 -0.006 1
1 123 . 7 1 1 A 16 16 GLN N N 16 119.695 119.927 -0.232 1
1 125 . 7 1 1 A 17 17 ALA H H 17 7.946 7.651 0.295 1
1 126 . 7 1 1 A 17 17 ALA HA H 17 4.239 4.117 0.122 1
1 130 . 7 1 1 A 17 17 ALA C C 17 180.910 180.046 0.864 1
1 131 . 7 1 1 A 17 17 ALA CA C 17 55.106 55.114 -0.008 1
1 132 . 7 1 1 A 17 17 ALA CB C 17 17.990 18.131 -0.141 1
1 133 . 7 1 1 A 17 17 ALA N N 17 120.227 121.499 -1.272 1
1 134 . 7 1 1 A 18 18 LEU H H 18 7.682 8.656 -0.974 1
1 135 . 7 1 1 A 18 18 LEU HA H 18 4.187 3.972 0.215 1
1 145 . 7 1 1 A 18 18 LEU C C 18 178.977 179.117 -0.140 1
1 146 . 7 1 1 A 18 18 LEU CA C 18 57.890 58.021 -0.131 1
1 147 . 7 1 1 A 18 18 LEU CB C 18 43.361 41.854 1.507 1
1 151 . 7 1 1 A 18 18 LEU N N 18 119.764 118.647 1.117 1
1 152 . 7 1 1 A 19 19 MET H H 19 8.699 8.336 0.363 1
1 153 . 7 1 1 A 19 19 MET HA H 19 3.965 4.097 -0.132 1
1 161 . 7 1 1 A 19 19 MET C C 19 179.207 178.082 1.125 1
1 162 . 7 1 1 A 19 19 MET CA C 19 59.794 58.667 1.127 1
1 163 . 7 1 1 A 19 19 MET CB C 19 32.445 32.601 -0.156 1
1 166 . 7 1 1 A 19 19 MET N N 19 119.982 116.433 3.549 1
1 167 . 7 1 1 A 20 20 ASP H H 20 8.435 7.970 0.465 1
1 168 . 7 1 1 A 20 20 ASP HA H 20 4.453 4.311 0.142 1
1 171 . 7 1 1 A 20 20 ASP C C 20 179.127 178.350 0.777 1
1 172 . 7 1 1 A 20 20 ASP CA C 20 57.449 57.548 -0.099 1
1 173 . 7 1 1 A 20 20 ASP CB C 20 39.986 41.835 -1.849 1
1 174 . 7 1 1 A 20 20 ASP N N 20 120.434 120.628 -0.194 1
1 175 . 7 1 1 A 21 21 GLU H H 21 8.150 8.257 -0.107 1
1 176 . 7 1 1 A 21 21 GLU HA H 21 4.168 4.015 0.153 1
1 181 . 7 1 1 A 21 21 GLU C C 21 179.405 179.072 0.333 1
1 182 . 7 1 1 A 21 21 GLU CA C 21 59.477 59.707 -0.230 1
1 183 . 7 1 1 A 21 21 GLU CB C 21 29.441 29.352 0.089 1
1 185 . 7 1 1 A 21 21 GLU N N 21 122.159 118.569 3.590 1
1 186 . 7 1 1 A 22 22 VAL H H 22 8.754 7.826 0.928 1
1 187 . 7 1 1 A 22 22 VAL HA H 22 3.484 3.617 -0.133 1
1 195 . 7 1 1 A 22 22 VAL C C 22 179.177 178.809 0.368 1
1 196 . 7 1 1 A 22 22 VAL CA C 22 67.545 66.168 1.377 1
1 197 . 7 1 1 A 22 22 VAL CB C 22 31.712 31.569 0.143 1
1 200 . 7 1 1 A 22 22 VAL N N 22 121.967 120.212 1.755 1
1 201 . 7 1 1 A 23 23 THR H H 23 8.410 7.973 0.437 1
1 202 . 7 1 1 A 23 23 THR HA H 23 3.888 3.815 0.073 1
1 207 . 7 1 1 A 23 23 THR C C 23 176.515 176.065 0.450 1
1 208 . 7 1 1 A 23 23 THR CA C 23 66.706 66.809 -0.103 1
1 209 . 7 1 1 A 23 23 THR CB C 23 68.646 68.585 0.061 1
1 211 . 7 1 1 A 23 23 THR N N 23 119.619 117.107 2.512 1
1 212 . 7 1 1 A 24 24 LYS H H 24 8.179 7.845 0.334 1
1 213 . 7 1 1 A 24 24 LYS HA H 24 4.055 3.864 0.191 1
1 219 . 7 1 1 A 24 24 LYS C C 24 179.223 178.496 0.727 1
1 220 . 7 1 1 A 24 24 LYS CA C 24 59.865 59.711 0.154 1
1 221 . 7 1 1 A 24 24 LYS CB C 24 32.733 32.381 0.352 1
1 225 . 7 1 1 A 24 24 LYS N N 24 122.464 121.061 1.403 1
1 226 . 7 1 1 A 25 25 GLN H H 25 8.791 8.269 0.522 1
1 227 . 7 1 1 A 25 25 GLN HA H 25 4.266 3.977 0.289 1
1 234 . 7 1 1 A 25 25 GLN C C 25 178.359 178.608 -0.249 1
1 235 . 7 1 1 A 25 25 GLN CA C 25 57.273 59.644 -2.371 1
1 236 . 7 1 1 A 25 25 GLN CB C 25 26.830 28.282 -1.452 1
1 238 . 7 1 1 A 25 25 GLN N N 25 120.181 118.596 1.585 1
1 240 . 7 1 1 A 26 26 GLY H H 26 8.828 8.202 0.626 1
1 241 . 7 1 1 A 26 26 GLY HA2 H 26 4.099 3.720 0.379 1
1 242 . 7 1 1 A 26 26 GLY HA3 H 26 3.788 3.720 0.068 1
1 243 . 7 1 1 A 26 26 GLY C C 26 176.618 175.978 0.640 1
1 244 . 7 1 1 A 26 26 GLY CA C 26 47.161 47.366 -0.205 1
1 245 . 7 1 1 A 26 26 GLY N N 26 108.597 107.270 1.327 1
1 246 . 7 1 1 A 27 27 ASN H H 27 7.910 8.405 -0.495 1
1 247 . 7 1 1 A 27 27 ASN HA H 27 4.582 4.411 0.171 1
1 252 . 7 1 1 A 27 27 ASN C C 27 177.317 177.685 -0.368 1
1 253 . 7 1 1 A 27 27 ASN CA C 27 56.074 55.850 0.224 1
1 254 . 7 1 1 A 27 27 ASN CB C 27 37.729 37.396 0.333 1
1 255 . 7 1 1 A 27 27 ASN N N 27 121.818 120.285 1.533 1
1 257 . 7 1 1 A 28 28 ILE H H 28 7.811 8.110 -0.299 1
1 258 . 7 1 1 A 28 28 ILE HA H 28 3.789 4.042 -0.253 1
1 268 . 7 1 1 A 28 28 ILE C C 28 178.445 178.620 -0.175 1
1 269 . 7 1 1 A 28 28 ILE CA C 28 65.117 65.110 0.007 1
1 270 . 7 1 1 A 28 28 ILE CB C 28 37.914 38.027 -0.113 1
1 274 . 7 1 1 A 28 28 ILE N N 28 123.083 121.132 1.951 1
1 275 . 7 1 1 A 29 29 VAL H H 29 8.018 7.965 0.053 1
1 276 . 7 1 1 A 29 29 VAL HA H 29 3.399 3.607 -0.208 1
1 284 . 7 1 1 A 29 29 VAL C C 29 176.953 177.894 -0.941 1
1 285 . 7 1 1 A 29 29 VAL CA C 29 67.541 66.648 0.893 1
1 286 . 7 1 1 A 29 29 VAL CB C 29 32.013 31.622 0.391 1
1 289 . 7 1 1 A 29 29 VAL N N 29 119.117 120.131 -1.014 1
1 290 . 7 1 1 A 30 30 ARG H H 30 7.965 7.925 0.040 1
1 291 . 7 1 1 A 30 30 ARG HA H 30 3.928 3.921 0.007 1
1 298 . 7 1 1 A 30 30 ARG C C 30 179.609 178.189 1.420 1
1 299 . 7 1 1 A 30 30 ARG CA C 30 60.006 59.988 0.018 1
1 300 . 7 1 1 A 30 30 ARG CB C 30 30.302 30.096 0.206 1
1 303 . 7 1 1 A 30 30 ARG N N 30 118.510 119.814 -1.304 1
1 304 . 7 1 1 A 31 31 GLU H H 31 8.211 8.300 -0.089 1
1 305 . 7 1 1 A 31 31 GLU HA H 31 4.167 4.088 0.079 1
1 310 . 7 1 1 A 31 31 GLU C C 31 178.910 179.108 -0.198 1
1 311 . 7 1 1 A 31 31 GLU CA C 31 59.195 59.113 0.082 1
1 312 . 7 1 1 A 31 31 GLU CB C 31 29.437 29.371 0.066 1
1 314 . 7 1 1 A 31 31 GLU N N 31 120.110 117.425 2.685 1
1 315 . 7 1 1 A 32 32 LEU H H 32 8.287 8.089 0.198 1
1 316 . 7 1 1 A 32 32 LEU HA H 32 4.021 3.917 0.104 1
1 326 . 7 1 1 A 32 32 LEU C C 32 179.931 179.171 0.760 1
1 327 . 7 1 1 A 32 32 LEU CA C 32 57.979 57.679 0.300 1
1 328 . 7 1 1 A 32 32 LEU CB C 32 42.524 41.680 0.844 1
1 332 . 7 1 1 A 32 32 LEU N N 32 120.148 121.364 -1.216 1
1 333 . 7 1 1 A 33 33 LYS H H 33 8.205 7.862 0.343 1
1 334 . 7 1 1 A 33 33 LYS HA H 33 4.048 4.092 -0.044 1
1 343 . 7 1 1 A 33 33 LYS C C 33 180.739 179.505 1.234 1
1 344 . 7 1 1 A 33 33 LYS CA C 33 59.883 59.499 0.384 1
1 345 . 7 1 1 A 33 33 LYS CB C 33 32.569 32.138 0.431 1
1 349 . 7 1 1 A 33 33 LYS N N 33 117.234 117.319 -0.085 1
1 350 . 7 1 1 A 34 34 ALA H H 34 8.101 7.865 0.236 1
1 351 . 7 1 1 A 34 34 ALA HA H 34 4.185 4.106 0.079 1
1 355 . 7 1 1 A 34 34 ALA C C 34 179.304 178.852 0.452 1
1 356 . 7 1 1 A 34 34 ALA CA C 34 54.734 54.726 0.008 1
1 357 . 7 1 1 A 34 34 ALA CB C 34 18.190 18.350 -0.160 1
1 358 . 7 1 1 A 34 34 ALA N N 34 123.540 121.667 1.873 1
1 359 . 7 1 1 A 35 35 GLN H H 35 7.815 8.164 -0.349 1
1 360 . 7 1 1 A 35 35 GLN HA H 35 4.299 4.217 0.082 1
1 367 . 7 1 1 A 35 35 GLN C C 35 175.344 175.472 -0.128 1
1 368 . 7 1 1 A 35 35 GLN CA C 35 55.342 54.816 0.526 1
1 369 . 7 1 1 A 35 35 GLN CB C 35 28.819 27.488 1.331 1
1 371 . 7 1 1 A 35 35 GLN N N 35 115.126 113.041 2.085 1
1 373 . 7 1 1 A 36 36 LYS H H 36 7.948 7.673 0.275 1
1 374 . 7 1 1 A 36 36 LYS HA H 36 3.963 3.789 0.174 1
1 382 . 7 1 1 A 36 36 LYS C C 36 175.883 175.761 0.122 1
1 383 . 7 1 1 A 36 36 LYS CA C 36 56.872 57.205 -0.333 1
1 384 . 7 1 1 A 36 36 LYS CB C 36 28.917 29.725 -0.808 1
1 388 . 7 1 1 A 36 36 LYS N N 36 117.310 114.514 2.796 1
1 389 . 7 1 1 A 37 37 ALA H H 37 7.646 7.601 0.045 1
1 390 . 7 1 1 A 37 37 ALA HA H 37 4.226 4.319 -0.093 1
1 394 . 7 1 1 A 37 37 ALA C C 37 176.094 176.302 -0.208 1
1 395 . 7 1 1 A 37 37 ALA CA C 37 52.143 52.214 -0.071 1
1 396 . 7 1 1 A 37 37 ALA CB C 37 20.742 19.665 1.077 1
1 397 . 7 1 1 A 37 37 ALA N N 37 120.112 119.117 0.995 1
1 398 . 7 1 1 A 38 38 ASP H H 38 8.474 8.334 0.140 1
1 399 . 7 1 1 A 38 38 ASP HA H 38 4.387 4.593 -0.206 1
1 402 . 7 1 1 A 38 38 ASP C C 38 177.481 177.212 0.269 1
1 403 . 7 1 1 A 38 38 ASP CA C 38 54.992 54.307 0.685 1
1 404 . 7 1 1 A 38 38 ASP CB C 38 43.156 42.429 0.727 1
1 405 . 7 1 1 A 38 38 ASP N N 38 119.141 120.740 -1.599 1
1 406 . 7 1 1 A 39 39 LYS H H 39 8.703 9.015 -0.312 1
1 407 . 7 1 1 A 39 39 LYS HA H 39 3.967 3.842 0.125 1
1 414 . 7 1 1 A 39 39 LYS C C 39 178.806 178.263 0.543 1
1 415 . 7 1 1 A 39 39 LYS CA C 39 59.547 60.541 -0.994 1
1 416 . 7 1 1 A 39 39 LYS CB C 39 32.222 32.104 0.118 1
1 420 . 7 1 1 A 39 39 LYS N N 39 124.290 127.276 -2.986 1
1 421 . 7 1 1 A 40 40 ASN H H 40 8.873 8.628 0.245 1
1 422 . 7 1 1 A 40 40 ASN HA H 40 4.571 4.463 0.108 1
1 427 . 7 1 1 A 40 40 ASN C C 40 178.014 177.934 0.080 1
1 428 . 7 1 1 A 40 40 ASN CA C 40 56.091 56.183 -0.092 1
1 429 . 7 1 1 A 40 40 ASN CB C 40 37.900 37.826 0.074 1
1 430 . 7 1 1 A 40 40 ASN N N 40 119.722 115.734 3.988 1
1 432 . 7 1 1 A 41 41 GLU H H 41 7.881 8.022 -0.141 1
1 433 . 7 1 1 A 41 41 GLU HA H 41 4.192 4.021 0.171 1
1 438 . 7 1 1 A 41 41 GLU C C 41 178.917 179.507 -0.590 1
1 439 . 7 1 1 A 41 41 GLU CA C 41 59.213 59.462 -0.249 1
1 440 . 7 1 1 A 41 41 GLU CB C 41 29.520 29.489 0.031 1
1 442 . 7 1 1 A 41 41 GLU N N 41 124.025 119.671 4.354 1
1 443 . 7 1 1 A 42 42 VAL H H 42 8.061 8.559 -0.498 1
1 444 . 7 1 1 A 42 42 VAL HA H 42 3.397 3.681 -0.284 1
1 452 . 7 1 1 A 42 42 VAL C C 42 177.701 178.019 -0.318 1
1 453 . 7 1 1 A 42 42 VAL CA C 42 67.341 66.374 0.967 1
1 454 . 7 1 1 A 42 42 VAL CB C 42 32.075 31.470 0.605 1
1 457 . 7 1 1 A 42 42 VAL N N 42 117.921 120.797 -2.876 1
1 458 . 7 1 1 A 43 43 ALA H H 43 8.136 8.460 -0.324 1
1 459 . 7 1 1 A 43 43 ALA HA H 43 4.101 3.923 0.178 1
1 463 . 7 1 1 A 43 43 ALA C C 43 180.808 179.431 1.377 1
1 464 . 7 1 1 A 43 43 ALA CA C 43 55.404 55.584 -0.180 1
1 465 . 7 1 1 A 43 43 ALA CB C 43 17.722 18.563 -0.841 1
1 466 . 7 1 1 A 43 43 ALA N N 43 119.833 121.989 -2.156 1
1 467 . 7 1 1 A 44 44 ALA H H 44 7.664 7.808 -0.144 1
1 468 . 7 1 1 A 44 44 ALA HA H 44 4.234 4.005 0.229 1
1 472 . 7 1 1 A 44 44 ALA C C 44 180.953 180.100 0.853 1
1 473 . 7 1 1 A 44 44 ALA CA C 44 55.122 55.452 -0.330 1
1 474 . 7 1 1 A 44 44 ALA CB C 44 18.229 18.429 -0.200 1
1 475 . 7 1 1 A 44 44 ALA N N 44 121.026 119.344 1.682 1
1 476 . 7 1 1 A 45 45 GLU H H 45 7.837 8.060 -0.223 1
1 477 . 7 1 1 A 45 45 GLU HA H 45 4.447 4.008 0.439 1
1 482 . 7 1 1 A 45 45 GLU C C 45 180.357 179.295 1.062 1
1 483 . 7 1 1 A 45 45 GLU CA C 45 57.467 59.574 -2.107 1
1 484 . 7 1 1 A 45 45 GLU CB C 45 28.255 29.429 -1.174 1
1 486 . 7 1 1 A 45 45 GLU N N 45 118.409 117.959 0.450 1
1 487 . 7 1 1 A 46 46 VAL H H 46 9.024 8.206 0.818 1
1 488 . 7 1 1 A 46 46 VAL HA H 46 3.638 3.581 0.057 1
1 496 . 7 1 1 A 46 46 VAL C C 46 177.712 177.885 -0.173 1
1 497 . 7 1 1 A 46 46 VAL CA C 46 66.961 66.700 0.261 1
1 498 . 7 1 1 A 46 46 VAL CB C 46 31.910 31.504 0.406 1
1 501 . 7 1 1 A 46 46 VAL N N 46 124.975 120.844 4.131 1
1 502 . 7 1 1 A 47 47 ALA H H 47 8.130 8.472 -0.342 1
1 503 . 7 1 1 A 47 47 ALA HA H 47 4.093 4.020 0.073 1
1 507 . 7 1 1 A 47 47 ALA C C 47 180.853 179.136 1.717 1
1 508 . 7 1 1 A 47 47 ALA CA C 47 55.545 55.449 0.096 1
1 509 . 7 1 1 A 47 47 ALA CB C 47 17.683 18.334 -0.651 1
1 510 . 7 1 1 A 47 47 ALA N N 47 122.493 121.670 0.823 1
1 511 . 7 1 1 A 48 48 LYS H H 48 7.442 7.976 -0.534 1
1 512 . 7 1 1 A 48 48 LYS HA H 48 4.183 3.934 0.249 1
1 521 . 7 1 1 A 48 48 LYS C C 48 178.698 178.392 0.306 1
1 522 . 7 1 1 A 48 48 LYS CA C 48 59.389 60.159 -0.770 1
1 523 . 7 1 1 A 48 48 LYS CB C 48 32.610 32.491 0.119 1
1 527 . 7 1 1 A 48 48 LYS N N 48 118.186 118.605 -0.419 1
1 528 . 7 1 1 A 49 49 LEU H H 49 7.822 8.628 -0.806 1
1 529 . 7 1 1 A 49 49 LEU HA H 49 4.012 3.974 0.038 1
1 539 . 7 1 1 A 49 49 LEU C C 49 177.582 178.289 -0.707 1
1 540 . 7 1 1 A 49 49 LEU CA C 49 58.490 58.385 0.105 1
1 541 . 7 1 1 A 49 49 LEU CB C 49 42.119 41.689 0.430 1
1 545 . 7 1 1 A 49 49 LEU N N 49 120.499 120.537 -0.038 1
1 546 . 7 1 1 A 50 50 LEU H H 50 8.565 8.203 0.362 1
1 547 . 7 1 1 A 50 50 LEU HA H 50 3.994 3.863 0.131 1
1 557 . 7 1 1 A 50 50 LEU C C 50 180.128 179.052 1.076 1
1 558 . 7 1 1 A 50 50 LEU CA C 50 58.330 57.944 0.386 1
1 559 . 7 1 1 A 50 50 LEU CB C 50 41.060 41.275 -0.215 1
1 563 . 7 1 1 A 50 50 LEU N N 50 118.622 119.057 -0.435 1
1 564 . 7 1 1 A 51 51 ASP H H 51 7.962 7.955 0.007 1
1 565 . 7 1 1 A 51 51 ASP HA H 51 4.480 4.603 -0.123 1
1 568 . 7 1 1 A 51 51 ASP C C 51 178.808 179.263 -0.455 1
1 569 . 7 1 1 A 51 51 ASP CA C 51 57.802 57.395 0.407 1
1 570 . 7 1 1 A 51 51 ASP CB C 51 41.435 40.696 0.739 1
1 571 . 7 1 1 A 51 51 ASP N N 51 120.483 120.185 0.298 1
1 572 . 7 1 1 A 52 52 LEU H H 52 8.228 8.342 -0.114 1
1 573 . 7 1 1 A 52 52 LEU HA H 52 4.006 4.002 0.004 1
1 583 . 7 1 1 A 52 52 LEU C C 52 179.173 179.760 -0.587 1
1 584 . 7 1 1 A 52 52 LEU CA C 52 58.190 57.714 0.476 1
1 585 . 7 1 1 A 52 52 LEU CB C 52 43.222 40.566 2.656 1
1 589 . 7 1 1 A 52 52 LEU N N 52 121.105 121.148 -0.043 1
1 590 . 7 1 1 A 53 53 LYS H H 53 8.531 7.665 0.866 1
1 591 . 7 1 1 A 53 53 LYS HA H 53 3.872 3.989 -0.117 1
1 600 . 7 1 1 A 53 53 LYS C C 53 179.984 178.992 0.992 1
1 601 . 7 1 1 A 53 53 LYS CA C 53 60.699 59.829 0.870 1
1 602 . 7 1 1 A 53 53 LYS CB C 53 32.239 32.064 0.175 1
1 606 . 7 1 1 A 53 53 LYS N N 53 118.013 118.724 -0.711 1
1 607 . 7 1 1 A 54 54 LYS H H 54 8.090 7.620 0.470 1
1 608 . 7 1 1 A 54 54 LYS HA H 54 4.165 4.125 0.040 1
1 616 . 7 1 1 A 54 54 LYS C C 54 178.638 179.129 -0.491 1
1 617 . 7 1 1 A 54 54 LYS CA C 54 59.847 59.034 0.813 1
1 618 . 7 1 1 A 54 54 LYS CB C 54 32.116 32.322 -0.206 1
1 622 . 7 1 1 A 54 54 LYS N N 54 122.616 118.592 4.024 1
1 623 . 7 1 1 A 55 55 GLN H H 55 8.214 8.378 -0.164 1
1 624 . 7 1 1 A 55 55 GLN HA H 55 3.976 4.039 -0.063 1
1 631 . 7 1 1 A 55 55 GLN C C 55 179.696 178.496 1.200 1
1 632 . 7 1 1 A 55 55 GLN CA C 55 59.177 58.702 0.475 1
1 633 . 7 1 1 A 55 55 GLN CB C 55 29.400 28.137 1.263 1
1 635 . 7 1 1 A 55 55 GLN N N 55 119.132 119.490 -0.358 1
1 637 . 7 1 1 A 56 56 LEU H H 56 8.506 7.843 0.663 1
1 638 . 7 1 1 A 56 56 LEU HA H 56 4.116 4.001 0.115 1
1 648 . 7 1 1 A 56 56 LEU C C 56 176.782 178.270 -1.488 1
1 649 . 7 1 1 A 56 56 LEU CA C 56 57.925 58.372 -0.447 1
1 650 . 7 1 1 A 56 56 LEU CB C 56 41.465 41.962 -0.497 1
1 654 . 7 1 1 A 56 56 LEU N N 56 122.033 121.896 0.137 1
1 655 . 7 1 1 A 57 57 ALA H H 57 7.896 8.323 -0.427 1
1 656 . 7 1 1 A 57 57 ALA HA H 57 4.232 4.033 0.199 1
1 660 . 7 1 1 A 57 57 ALA C C 57 180.928 180.135 0.793 1
1 661 . 7 1 1 A 57 57 ALA CA C 57 55.246 55.520 -0.274 1
1 662 . 7 1 1 A 57 57 ALA CB C 57 17.776 18.522 -0.746 1
1 663 . 7 1 1 A 57 57 ALA N N 57 121.379 120.063 1.316 1
1 664 . 7 1 1 A 58 58 VAL H H 58 7.973 7.904 0.069 1
1 665 . 7 1 1 A 58 58 VAL HA H 58 3.761 3.588 0.173 1
1 673 . 7 1 1 A 58 58 VAL C C 58 179.410 178.152 1.258 1
1 674 . 7 1 1 A 58 58 VAL CA C 58 65.807 66.564 -0.757 1
1 675 . 7 1 1 A 58 58 VAL CB C 58 31.978 31.822 0.156 1
1 678 . 7 1 1 A 58 58 VAL N N 58 117.592 118.073 -0.481 1
1 679 . 7 1 1 A 59 59 ALA H H 59 8.024 8.322 -0.298 1
1 680 . 7 1 1 A 59 59 ALA HA H 59 4.133 3.987 0.146 1
1 684 . 7 1 1 A 59 59 ALA C C 59 179.359 180.307 -0.948 1
1 685 . 7 1 1 A 59 59 ALA CA C 59 54.805 55.763 -0.958 1
1 686 . 7 1 1 A 59 59 ALA CB C 59 18.513 18.244 0.269 1
1 687 . 7 1 1 A 59 59 ALA N N 59 124.023 122.362 1.661 1
1 688 . 7 1 1 A 60 60 GLU H H 60 8.334 7.940 0.394 1
1 689 . 7 1 1 A 60 60 GLU HA H 60 4.143 4.127 0.016 1
1 694 . 7 1 1 A 60 60 GLU C C 60 177.391 176.578 0.813 1
1 695 . 7 1 1 A 60 60 GLU CA C 60 57.915 57.845 0.070 1
1 696 . 7 1 1 A 60 60 GLU CB C 60 30.962 30.018 0.944 1
1 698 . 7 1 1 A 60 60 GLU N N 60 115.335 116.367 -1.032 1
1 699 . 7 1 1 A 61 61 GLY H H 61 7.845 8.335 -0.490 1
1 700 . 7 1 1 A 61 61 GLY HA2 H 61 3.958 4.065 -0.107 1
1 701 . 7 1 1 A 61 61 GLY HA3 H 61 3.958 4.065 -0.107 1
1 702 . 7 1 1 A 61 61 GLY C C 61 174.090 173.932 0.158 1
1 703 . 7 1 1 A 61 61 GLY CA C 61 45.654 45.065 0.589 1
1 704 . 7 1 1 A 61 61 GLY N N 61 107.486 107.061 0.425 1
1 705 . 7 1 1 A 62 62 LYS H H 62 8.068 8.112 -0.044 1
1 706 . 7 1 1 A 62 62 LYS HA H 62 4.612 4.835 -0.223 1
1 715 . 7 1 1 A 62 62 LYS C C 62 174.023 174.039 -0.016 1
1 716 . 7 1 1 A 62 62 LYS CA C 62 54.147 53.039 1.108 1
1 717 . 7 1 1 A 62 62 LYS CB C 62 32.651 33.949 -1.298 1
1 721 . 7 1 1 A 62 62 LYS N N 62 121.672 120.786 0.886 1
1 722 . 7 1 1 A 63 63 PRO HA H 63 4.692 4.629 0.063 1
1 729 . 7 1 1 A 63 63 PRO CA C 63 61.351 61.634 -0.283 1
1 730 . 7 1 1 A 63 63 PRO CB C 63 30.892 31.556 -0.664 1
1 733 . 7 1 1 A 64 64 PRO HA H 64 4.408 4.543 -0.135 1
1 740 . 7 1 1 A 64 64 PRO C C 64 176.775 177.773 -0.998 1
1 741 . 7 1 1 A 64 64 PRO CA C 64 62.926 62.296 0.630 1
1 742 . 7 1 1 A 64 64 PRO CB C 64 32.074 33.105 -1.031 1
1 745 . 7 1 1 A 65 65 GLU H H 65 8.396 8.843 -0.447 1
1 746 . 7 1 1 A 65 65 GLU HA H 65 4.243 4.043 0.200 1
1 751 . 7 1 1 A 65 65 GLU C C 65 175.888 176.517 -0.629 1
1 752 . 7 1 1 A 65 65 GLU CA C 65 56.083 59.345 -3.262 1
1 753 . 7 1 1 A 65 65 GLU CB C 65 30.722 29.340 1.382 1
1 755 . 7 1 1 A 65 65 GLU N N 65 121.093 122.604 -1.511 1
1 756 . 7 1 1 A 66 66 ALA H H 66 8.434 7.792 0.642 1
1 757 . 7 1 1 A 66 66 ALA HA H 66 4.583 4.029 0.554 1
1 761 . 7 1 1 A 66 66 ALA C C 66 175.504 178.055 -2.551 1
1 762 . 7 1 1 A 66 66 ALA CA C 66 50.482 52.880 -2.398 1
1 763 . 7 1 1 A 66 66 ALA CB C 66 18.108 17.325 0.783 1
1 764 . 7 1 1 A 66 66 ALA N N 66 127.348 119.311 8.037 1
1 765 . 7 1 1 A 67 67 PRO HA H 67 4.408 4.507 -0.099 1
1 772 . 7 1 1 A 67 67 PRO C C 67 177.111 176.370 0.741 1
1 773 . 7 1 1 A 67 67 PRO CA C 67 63.056 64.343 -1.287 1
1 774 . 7 1 1 A 67 67 PRO CB C 67 32.074 31.816 0.258 1
1 777 . 7 1 1 A 68 68 LYS H H 68 8.479 7.693 0.786 1
1 778 . 7 1 1 A 68 68 LYS HA H 68 4.291 4.217 0.074 1
1 787 . 7 1 1 A 68 68 LYS C C 68 177.292 176.724 0.568 1
1 788 . 7 1 1 A 68 68 LYS CA C 68 56.322 57.492 -1.170 1
1 789 . 7 1 1 A 68 68 LYS CB C 68 33.146 32.098 1.048 1
1 793 . 7 1 1 A 68 68 LYS N N 68 121.836 119.632 2.204 1
1 794 . 7 1 1 A 69 69 GLY H H 69 8.387 8.526 -0.139 1
1 795 . 7 1 1 A 69 69 GLY HA2 H 69 3.948 4.196 -0.248 1
1 796 . 7 1 1 A 69 69 GLY HA3 H 69 3.948 4.196 -0.248 1
1 797 . 7 1 1 A 69 69 GLY C C 69 173.940 173.714 0.226 1
1 798 . 7 1 1 A 69 69 GLY CA C 69 45.160 44.316 0.844 1
1 799 . 7 1 1 A 69 69 GLY N N 69 109.796 110.828 -1.032 1
1 800 . 7 1 1 A 70 70 LYS H H 70 8.196 8.919 -0.723 1
1 801 . 7 1 1 A 70 70 LYS HA H 70 4.318 3.932 0.386 1
1 810 . 7 1 1 A 70 70 LYS C C 70 176.642 175.157 1.485 1
1 811 . 7 1 1 A 70 70 LYS CA C 70 56.127 57.190 -1.063 1
1 812 . 7 1 1 A 70 70 LYS CB C 70 33.272 31.254 2.018 1
1 816 . 7 1 1 A 70 70 LYS N N 70 121.044 120.346 0.698 1
1 817 . 7 1 1 A 71 71 LYS H H 71 8.348 7.663 0.685 1
1 818 . 7 1 1 A 71 71 LYS HA H 71 4.273 4.818 -0.545 1
1 827 . 7 1 1 A 71 71 LYS C C 71 176.548 175.753 0.795 1
1 828 . 7 1 1 A 71 71 LYS CA C 71 56.285 54.686 1.599 1
1 829 . 7 1 1 A 71 71 LYS CB C 71 33.270 34.968 -1.698 1
1 833 . 7 1 1 A 71 71 LYS N N 71 123.152 114.639 8.513 1
1 834 . 7 1 1 A 72 72 LYS H H 72 8.405 8.698 -0.293 1
1 835 . 7 1 1 A 72 72 LYS HA H 72 4.273 4.501 -0.228 1
1 836 . 7 1 1 A 72 72 LYS C C 72 176.499 176.780 -0.281 1
1 837 . 7 1 1 A 72 72 LYS CA C 72 56.356 56.958 -0.602 1
1 838 . 7 1 1 A 72 72 LYS CB C 72 33.146 34.236 -1.090 1
1 1 . 8 1 1 A 7 7 GLY HA2 H 7 4.042 4.026 0.016 1
1 2 . 8 1 1 A 7 7 GLY HA3 H 7 4.042 4.026 0.016 1
1 3 . 8 1 1 A 7 7 GLY C C 7 174.377 175.188 -0.811 1
1 4 . 8 1 1 A 7 7 GLY CA C 7 45.425 46.137 -0.712 1
1 5 . 8 1 1 A 8 8 THR H H 8 8.131 8.254 -0.123 1
1 6 . 8 1 1 A 8 8 THR HA H 8 4.448 4.049 0.399 1
1 11 . 8 1 1 A 8 8 THR C C 8 174.773 173.799 0.974 1
1 12 . 8 1 1 A 8 8 THR CA C 8 61.787 62.983 -1.196 1
1 13 . 8 1 1 A 8 8 THR CB C 8 69.913 66.706 3.207 1
1 15 . 8 1 1 A 8 8 THR N N 8 113.630 115.059 -1.429 1
1 16 . 8 1 1 A 9 9 THR H H 9 8.180 8.005 0.175 1
1 17 . 8 1 1 A 9 9 THR HA H 9 4.355 4.326 0.029 1
1 22 . 8 1 1 A 9 9 THR C C 9 174.203 174.275 -0.072 1
1 23 . 8 1 1 A 9 9 THR CA C 9 61.892 62.861 -0.969 1
1 24 . 8 1 1 A 9 9 THR CB C 9 69.891 69.040 0.851 1
1 26 . 8 1 1 A 9 9 THR N N 9 116.604 116.901 -0.297 1
1 27 . 8 1 1 A 10 10 ALA H H 10 8.405 8.397 0.008 1
1 28 . 8 1 1 A 10 10 ALA HA H 10 4.376 4.824 -0.448 1
1 32 . 8 1 1 A 10 10 ALA C C 10 177.430 177.892 -0.462 1
1 33 . 8 1 1 A 10 10 ALA CA C 10 52.317 50.622 1.695 1
1 34 . 8 1 1 A 10 10 ALA CB C 10 19.506 22.643 -3.137 1
1 35 . 8 1 1 A 10 10 ALA N N 10 126.934 129.721 -2.787 1
1 36 . 8 1 1 A 11 11 LYS H H 11 8.462 8.640 -0.178 1
1 37 . 8 1 1 A 11 11 LYS HA H 11 4.575 3.966 0.609 1
1 46 . 8 1 1 A 11 11 LYS C C 11 174.921 175.831 -0.910 1
1 47 . 8 1 1 A 11 11 LYS CA C 11 55.122 61.367 -6.245 1
1 48 . 8 1 1 A 11 11 LYS CB C 11 31.910 30.956 0.954 1
1 52 . 8 1 1 A 11 11 LYS N N 11 121.526 120.522 1.004 1
1 53 . 8 1 1 A 12 12 PRO HA H 12 4.363 4.419 -0.056 1
1 60 . 8 1 1 A 12 12 PRO C C 12 178.290 178.141 0.149 1
1 61 . 8 1 1 A 12 12 PRO CA C 12 64.502 64.866 -0.364 1
1 62 . 8 1 1 A 12 12 PRO CB C 12 31.992 31.406 0.586 1
1 65 . 8 1 1 A 13 13 GLN H H 13 8.665 8.413 0.252 1
1 66 . 8 1 1 A 13 13 GLN HA H 13 4.158 4.164 -0.006 1
1 73 . 8 1 1 A 13 13 GLN C C 13 177.727 178.422 -0.695 1
1 74 . 8 1 1 A 13 13 GLN CA C 13 58.366 58.815 -0.449 1
1 75 . 8 1 1 A 13 13 GLN CB C 13 28.584 29.458 -0.874 1
1 77 . 8 1 1 A 13 13 GLN N N 13 119.964 116.689 3.275 1
1 79 . 8 1 1 A 14 14 GLN H H 14 8.376 8.306 0.070 1
1 80 . 8 1 1 A 14 14 GLN HA H 14 4.217 4.092 0.125 1
1 87 . 8 1 1 A 14 14 GLN C C 14 178.304 178.114 0.190 1
1 88 . 8 1 1 A 14 14 GLN CA C 14 58.190 58.112 0.078 1
1 89 . 8 1 1 A 14 14 GLN CB C 14 28.639 27.568 1.071 1
1 91 . 8 1 1 A 14 14 GLN N N 14 120.039 117.691 2.348 1
1 93 . 8 1 1 A 15 15 ILE H H 15 7.802 8.028 -0.226 1
1 94 . 8 1 1 A 15 15 ILE HA H 15 3.654 3.631 0.023 1
1 104 . 8 1 1 A 15 15 ILE C C 15 177.183 177.977 -0.794 1
1 105 . 8 1 1 A 15 15 ILE CA C 15 64.643 64.971 -0.328 1
1 106 . 8 1 1 A 15 15 ILE CB C 15 37.828 37.824 0.004 1
1 110 . 8 1 1 A 15 15 ILE N N 15 119.981 121.640 -1.659 1
1 111 . 8 1 1 A 16 16 GLN H H 16 8.159 7.820 0.339 1
1 112 . 8 1 1 A 16 16 GLN HA H 16 3.958 3.990 -0.032 1
1 119 . 8 1 1 A 16 16 GLN C C 16 177.647 178.105 -0.458 1
1 120 . 8 1 1 A 16 16 GLN CA C 16 58.648 59.015 -0.367 1
1 121 . 8 1 1 A 16 16 GLN CB C 16 28.531 28.442 0.089 1
1 123 . 8 1 1 A 16 16 GLN N N 16 119.695 119.836 -0.141 1
1 125 . 8 1 1 A 17 17 ALA H H 17 7.946 8.162 -0.216 1
1 126 . 8 1 1 A 17 17 ALA HA H 17 4.239 4.080 0.159 1
1 130 . 8 1 1 A 17 17 ALA C C 17 180.910 180.429 0.481 1
1 131 . 8 1 1 A 17 17 ALA CA C 17 55.106 54.871 0.235 1
1 132 . 8 1 1 A 17 17 ALA CB C 17 17.990 18.507 -0.517 1
1 133 . 8 1 1 A 17 17 ALA N N 17 120.227 121.437 -1.210 1
1 134 . 8 1 1 A 18 18 LEU H H 18 7.682 8.084 -0.402 1
1 135 . 8 1 1 A 18 18 LEU HA H 18 4.187 4.045 0.142 1
1 145 . 8 1 1 A 18 18 LEU C C 18 178.977 179.016 -0.039 1
1 146 . 8 1 1 A 18 18 LEU CA C 18 57.890 57.932 -0.042 1
1 147 . 8 1 1 A 18 18 LEU CB C 18 43.361 41.809 1.552 1
1 151 . 8 1 1 A 18 18 LEU N N 18 119.764 120.088 -0.324 1
1 152 . 8 1 1 A 19 19 MET H H 19 8.699 8.586 0.113 1
1 153 . 8 1 1 A 19 19 MET HA H 19 3.965 4.087 -0.122 1
1 161 . 8 1 1 A 19 19 MET C C 19 179.207 178.035 1.172 1
1 162 . 8 1 1 A 19 19 MET CA C 19 59.794 58.367 1.427 1
1 163 . 8 1 1 A 19 19 MET CB C 19 32.445 31.802 0.643 1
1 166 . 8 1 1 A 19 19 MET N N 19 119.982 116.579 3.403 1
1 167 . 8 1 1 A 20 20 ASP H H 20 8.435 7.888 0.547 1
1 168 . 8 1 1 A 20 20 ASP HA H 20 4.453 4.384 0.069 1
1 171 . 8 1 1 A 20 20 ASP C C 20 179.127 177.945 1.182 1
1 172 . 8 1 1 A 20 20 ASP CA C 20 57.449 56.938 0.511 1
1 173 . 8 1 1 A 20 20 ASP CB C 20 39.986 40.994 -1.008 1
1 174 . 8 1 1 A 20 20 ASP N N 20 120.434 120.134 0.300 1
1 175 . 8 1 1 A 21 21 GLU H H 21 8.150 7.761 0.389 1
1 176 . 8 1 1 A 21 21 GLU HA H 21 4.168 4.091 0.077 1
1 181 . 8 1 1 A 21 21 GLU C C 21 179.405 178.929 0.476 1
1 182 . 8 1 1 A 21 21 GLU CA C 21 59.477 59.216 0.261 1
1 183 . 8 1 1 A 21 21 GLU CB C 21 29.441 29.328 0.113 1
1 185 . 8 1 1 A 21 21 GLU N N 21 122.159 117.982 4.177 1
1 186 . 8 1 1 A 22 22 VAL H H 22 8.754 8.264 0.490 1
1 187 . 8 1 1 A 22 22 VAL HA H 22 3.484 3.632 -0.148 1
1 195 . 8 1 1 A 22 22 VAL C C 22 179.177 178.621 0.556 1
1 196 . 8 1 1 A 22 22 VAL CA C 22 67.545 66.458 1.087 1
1 197 . 8 1 1 A 22 22 VAL CB C 22 31.712 31.716 -0.004 1
1 200 . 8 1 1 A 22 22 VAL N N 22 121.967 121.060 0.907 1
1 201 . 8 1 1 A 23 23 THR H H 23 8.410 8.216 0.194 1
1 202 . 8 1 1 A 23 23 THR HA H 23 3.888 3.774 0.114 1
1 207 . 8 1 1 A 23 23 THR C C 23 176.515 175.989 0.526 1
1 208 . 8 1 1 A 23 23 THR CA C 23 66.706 66.721 -0.015 1
1 209 . 8 1 1 A 23 23 THR CB C 23 68.646 68.489 0.157 1
1 211 . 8 1 1 A 23 23 THR N N 23 119.619 116.683 2.936 1
1 212 . 8 1 1 A 24 24 LYS H H 24 8.179 7.774 0.405 1
1 213 . 8 1 1 A 24 24 LYS HA H 24 4.055 3.886 0.169 1
1 219 . 8 1 1 A 24 24 LYS C C 24 179.223 178.555 0.668 1
1 220 . 8 1 1 A 24 24 LYS CA C 24 59.865 59.809 0.056 1
1 221 . 8 1 1 A 24 24 LYS CB C 24 32.733 32.388 0.345 1
1 225 . 8 1 1 A 24 24 LYS N N 24 122.464 121.086 1.378 1
1 226 . 8 1 1 A 25 25 GLN H H 25 8.791 8.154 0.637 1
1 227 . 8 1 1 A 25 25 GLN HA H 25 4.266 4.003 0.263 1
1 234 . 8 1 1 A 25 25 GLN C C 25 178.359 178.752 -0.393 1
1 235 . 8 1 1 A 25 25 GLN CA C 25 57.273 59.466 -2.193 1
1 236 . 8 1 1 A 25 25 GLN CB C 25 26.830 28.704 -1.874 1
1 238 . 8 1 1 A 25 25 GLN N N 25 120.181 118.508 1.673 1
1 240 . 8 1 1 A 26 26 GLY H H 26 8.828 8.092 0.736 1
1 241 . 8 1 1 A 26 26 GLY HA2 H 26 4.099 3.781 0.318 1
1 242 . 8 1 1 A 26 26 GLY HA3 H 26 3.788 3.781 0.007 1
1 243 . 8 1 1 A 26 26 GLY C C 26 176.618 175.982 0.636 1
1 244 . 8 1 1 A 26 26 GLY CA C 26 47.161 47.344 -0.183 1
1 245 . 8 1 1 A 26 26 GLY N N 26 108.597 107.502 1.095 1
1 246 . 8 1 1 A 27 27 ASN H H 27 7.910 7.482 0.428 1
1 247 . 8 1 1 A 27 27 ASN HA H 27 4.582 4.433 0.149 1
1 252 . 8 1 1 A 27 27 ASN C C 27 177.317 177.717 -0.400 1
1 253 . 8 1 1 A 27 27 ASN CA C 27 56.074 55.578 0.496 1
1 254 . 8 1 1 A 27 27 ASN CB C 27 37.729 38.644 -0.915 1
1 255 . 8 1 1 A 27 27 ASN N N 27 121.818 119.250 2.568 1
1 257 . 8 1 1 A 28 28 ILE H H 28 7.811 8.306 -0.495 1
1 258 . 8 1 1 A 28 28 ILE HA H 28 3.789 3.697 0.092 1
1 268 . 8 1 1 A 28 28 ILE C C 28 178.445 178.480 -0.035 1
1 269 . 8 1 1 A 28 28 ILE CA C 28 65.117 65.215 -0.098 1
1 270 . 8 1 1 A 28 28 ILE CB C 28 37.914 37.838 0.076 1
1 274 . 8 1 1 A 28 28 ILE N N 28 123.083 120.128 2.955 1
1 275 . 8 1 1 A 29 29 VAL H H 29 8.018 8.234 -0.216 1
1 276 . 8 1 1 A 29 29 VAL HA H 29 3.399 3.581 -0.182 1
1 284 . 8 1 1 A 29 29 VAL C C 29 176.953 177.961 -1.008 1
1 285 . 8 1 1 A 29 29 VAL CA C 29 67.541 66.432 1.109 1
1 286 . 8 1 1 A 29 29 VAL CB C 29 32.013 31.546 0.467 1
1 289 . 8 1 1 A 29 29 VAL N N 29 119.117 120.600 -1.483 1
1 290 . 8 1 1 A 30 30 ARG H H 30 7.965 7.944 0.021 1
1 291 . 8 1 1 A 30 30 ARG HA H 30 3.928 3.924 0.004 1
1 298 . 8 1 1 A 30 30 ARG C C 30 179.609 178.468 1.141 1
1 299 . 8 1 1 A 30 30 ARG CA C 30 60.006 59.954 0.052 1
1 300 . 8 1 1 A 30 30 ARG CB C 30 30.302 29.878 0.424 1
1 303 . 8 1 1 A 30 30 ARG N N 30 118.510 119.888 -1.378 1
1 304 . 8 1 1 A 31 31 GLU H H 31 8.211 8.430 -0.219 1
1 305 . 8 1 1 A 31 31 GLU HA H 31 4.167 4.086 0.081 1
1 310 . 8 1 1 A 31 31 GLU C C 31 178.910 179.155 -0.245 1
1 311 . 8 1 1 A 31 31 GLU CA C 31 59.195 59.098 0.097 1
1 312 . 8 1 1 A 31 31 GLU CB C 31 29.437 29.288 0.149 1
1 314 . 8 1 1 A 31 31 GLU N N 31 120.110 117.536 2.574 1
1 315 . 8 1 1 A 32 32 LEU H H 32 8.287 8.463 -0.176 1
1 316 . 8 1 1 A 32 32 LEU HA H 32 4.021 3.928 0.093 1
1 326 . 8 1 1 A 32 32 LEU C C 32 179.931 179.050 0.881 1
1 327 . 8 1 1 A 32 32 LEU CA C 32 57.979 57.576 0.403 1
1 328 . 8 1 1 A 32 32 LEU CB C 32 42.524 41.678 0.846 1
1 332 . 8 1 1 A 32 32 LEU N N 32 120.148 121.096 -0.948 1
1 333 . 8 1 1 A 33 33 LYS H H 33 8.205 8.066 0.139 1
1 334 . 8 1 1 A 33 33 LYS HA H 33 4.048 3.964 0.084 1
1 343 . 8 1 1 A 33 33 LYS C C 33 180.739 179.874 0.865 1
1 344 . 8 1 1 A 33 33 LYS CA C 33 59.883 59.948 -0.065 1
1 345 . 8 1 1 A 33 33 LYS CB C 33 32.569 32.134 0.435 1
1 349 . 8 1 1 A 33 33 LYS N N 33 117.234 117.398 -0.164 1
1 350 . 8 1 1 A 34 34 ALA H H 34 8.101 7.683 0.418 1
1 351 . 8 1 1 A 34 34 ALA HA H 34 4.185 4.103 0.082 1
1 355 . 8 1 1 A 34 34 ALA C C 34 179.304 178.617 0.687 1
1 356 . 8 1 1 A 34 34 ALA CA C 34 54.734 54.083 0.651 1
1 357 . 8 1 1 A 34 34 ALA CB C 34 18.190 18.200 -0.010 1
1 358 . 8 1 1 A 34 34 ALA N N 34 123.540 121.119 2.421 1
1 359 . 8 1 1 A 35 35 GLN H H 35 7.815 7.597 0.218 1
1 360 . 8 1 1 A 35 35 GLN HA H 35 4.299 4.428 -0.129 1
1 367 . 8 1 1 A 35 35 GLN C C 35 175.344 175.227 0.117 1
1 368 . 8 1 1 A 35 35 GLN CA C 35 55.342 55.325 0.017 1
1 369 . 8 1 1 A 35 35 GLN CB C 35 28.819 28.587 0.232 1
1 371 . 8 1 1 A 35 35 GLN N N 35 115.126 115.539 -0.413 1
1 373 . 8 1 1 A 36 36 LYS H H 36 7.948 7.690 0.258 1
1 374 . 8 1 1 A 36 36 LYS HA H 36 3.963 3.982 -0.019 1
1 382 . 8 1 1 A 36 36 LYS C C 36 175.883 175.849 0.034 1
1 383 . 8 1 1 A 36 36 LYS CA C 36 56.872 57.111 -0.239 1
1 384 . 8 1 1 A 36 36 LYS CB C 36 28.917 30.165 -1.248 1
1 388 . 8 1 1 A 36 36 LYS N N 36 117.310 117.379 -0.069 1
1 389 . 8 1 1 A 37 37 ALA H H 37 7.646 7.274 0.372 1
1 390 . 8 1 1 A 37 37 ALA HA H 37 4.226 4.285 -0.059 1
1 394 . 8 1 1 A 37 37 ALA C C 37 176.094 176.469 -0.375 1
1 395 . 8 1 1 A 37 37 ALA CA C 37 52.143 52.577 -0.434 1
1 396 . 8 1 1 A 37 37 ALA CB C 37 20.742 19.563 1.179 1
1 397 . 8 1 1 A 37 37 ALA N N 37 120.112 123.060 -2.948 1
1 398 . 8 1 1 A 38 38 ASP H H 38 8.474 8.507 -0.033 1
1 399 . 8 1 1 A 38 38 ASP HA H 38 4.387 4.393 -0.006 1
1 402 . 8 1 1 A 38 38 ASP C C 38 177.481 177.623 -0.142 1
1 403 . 8 1 1 A 38 38 ASP CA C 38 54.992 54.470 0.522 1
1 404 . 8 1 1 A 38 38 ASP CB C 38 43.156 42.570 0.586 1
1 405 . 8 1 1 A 38 38 ASP N N 38 119.141 121.367 -2.226 1
1 406 . 8 1 1 A 39 39 LYS H H 39 8.703 8.644 0.059 1
1 407 . 8 1 1 A 39 39 LYS HA H 39 3.967 3.892 0.075 1
1 414 . 8 1 1 A 39 39 LYS C C 39 178.806 178.322 0.484 1
1 415 . 8 1 1 A 39 39 LYS CA C 39 59.547 59.950 -0.403 1
1 416 . 8 1 1 A 39 39 LYS CB C 39 32.222 32.251 -0.029 1
1 420 . 8 1 1 A 39 39 LYS N N 39 124.290 125.220 -0.930 1
1 421 . 8 1 1 A 40 40 ASN H H 40 8.873 8.236 0.637 1
1 422 . 8 1 1 A 40 40 ASN HA H 40 4.571 4.496 0.075 1
1 427 . 8 1 1 A 40 40 ASN C C 40 178.014 177.868 0.146 1
1 428 . 8 1 1 A 40 40 ASN CA C 40 56.091 56.590 -0.499 1
1 429 . 8 1 1 A 40 40 ASN CB C 40 37.900 37.775 0.125 1
1 430 . 8 1 1 A 40 40 ASN N N 40 119.722 118.268 1.454 1
1 432 . 8 1 1 A 41 41 GLU H H 41 7.881 8.161 -0.280 1
1 433 . 8 1 1 A 41 41 GLU HA H 41 4.192 4.044 0.148 1
1 438 . 8 1 1 A 41 41 GLU C C 41 178.917 179.425 -0.508 1
1 439 . 8 1 1 A 41 41 GLU CA C 41 59.213 59.236 -0.023 1
1 440 . 8 1 1 A 41 41 GLU CB C 41 29.520 29.485 0.035 1
1 442 . 8 1 1 A 41 41 GLU N N 41 124.025 119.896 4.129 1
1 443 . 8 1 1 A 42 42 VAL H H 42 8.061 8.033 0.028 1
1 444 . 8 1 1 A 42 42 VAL HA H 42 3.397 3.606 -0.209 1
1 452 . 8 1 1 A 42 42 VAL C C 42 177.701 177.839 -0.138 1
1 453 . 8 1 1 A 42 42 VAL CA C 42 67.341 66.428 0.913 1
1 454 . 8 1 1 A 42 42 VAL CB C 42 32.075 31.664 0.411 1
1 457 . 8 1 1 A 42 42 VAL N N 42 117.921 119.649 -1.728 1
1 458 . 8 1 1 A 43 43 ALA H H 43 8.136 8.462 -0.326 1
1 459 . 8 1 1 A 43 43 ALA HA H 43 4.101 3.964 0.137 1
1 463 . 8 1 1 A 43 43 ALA C C 43 180.808 179.561 1.247 1
1 464 . 8 1 1 A 43 43 ALA CA C 43 55.404 55.608 -0.204 1
1 465 . 8 1 1 A 43 43 ALA CB C 43 17.722 18.578 -0.856 1
1 466 . 8 1 1 A 43 43 ALA N N 43 119.833 122.080 -2.247 1
1 467 . 8 1 1 A 44 44 ALA H H 44 7.664 8.172 -0.508 1
1 468 . 8 1 1 A 44 44 ALA HA H 44 4.234 3.964 0.270 1
1 472 . 8 1 1 A 44 44 ALA C C 44 180.953 180.269 0.684 1
1 473 . 8 1 1 A 44 44 ALA CA C 44 55.122 55.343 -0.221 1
1 474 . 8 1 1 A 44 44 ALA CB C 44 18.229 18.345 -0.116 1
1 475 . 8 1 1 A 44 44 ALA N N 44 121.026 119.390 1.636 1
1 476 . 8 1 1 A 45 45 GLU H H 45 7.837 7.789 0.048 1
1 477 . 8 1 1 A 45 45 GLU HA H 45 4.447 4.009 0.438 1
1 482 . 8 1 1 A 45 45 GLU C C 45 180.357 179.312 1.045 1
1 483 . 8 1 1 A 45 45 GLU CA C 45 57.467 59.622 -2.155 1
1 484 . 8 1 1 A 45 45 GLU CB C 45 28.255 29.439 -1.184 1
1 486 . 8 1 1 A 45 45 GLU N N 45 118.409 118.002 0.407 1
1 487 . 8 1 1 A 46 46 VAL H H 46 9.024 8.162 0.862 1
1 488 . 8 1 1 A 46 46 VAL HA H 46 3.638 3.522 0.116 1
1 496 . 8 1 1 A 46 46 VAL C C 46 177.712 177.958 -0.246 1
1 497 . 8 1 1 A 46 46 VAL CA C 46 66.961 66.696 0.265 1
1 498 . 8 1 1 A 46 46 VAL CB C 46 31.910 31.449 0.461 1
1 501 . 8 1 1 A 46 46 VAL N N 46 124.975 121.105 3.870 1
1 502 . 8 1 1 A 47 47 ALA H H 47 8.130 8.385 -0.255 1
1 503 . 8 1 1 A 47 47 ALA HA H 47 4.093 3.852 0.241 1
1 507 . 8 1 1 A 47 47 ALA C C 47 180.853 179.380 1.473 1
1 508 . 8 1 1 A 47 47 ALA CA C 47 55.545 55.498 0.047 1
1 509 . 8 1 1 A 47 47 ALA CB C 47 17.683 18.282 -0.599 1
1 510 . 8 1 1 A 47 47 ALA N N 47 122.493 121.185 1.308 1
1 511 . 8 1 1 A 48 48 LYS H H 48 7.442 7.656 -0.214 1
1 512 . 8 1 1 A 48 48 LYS HA H 48 4.183 3.951 0.232 1
1 521 . 8 1 1 A 48 48 LYS C C 48 178.698 178.349 0.349 1
1 522 . 8 1 1 A 48 48 LYS CA C 48 59.389 59.842 -0.453 1
1 523 . 8 1 1 A 48 48 LYS CB C 48 32.610 32.045 0.565 1
1 527 . 8 1 1 A 48 48 LYS N N 48 118.186 118.605 -0.419 1
1 528 . 8 1 1 A 49 49 LEU H H 49 7.822 8.602 -0.780 1
1 529 . 8 1 1 A 49 49 LEU HA H 49 4.012 3.957 0.055 1
1 539 . 8 1 1 A 49 49 LEU C C 49 177.582 178.408 -0.826 1
1 540 . 8 1 1 A 49 49 LEU CA C 49 58.490 57.904 0.586 1
1 541 . 8 1 1 A 49 49 LEU CB C 49 42.119 41.841 0.278 1
1 545 . 8 1 1 A 49 49 LEU N N 49 120.499 120.601 -0.102 1
1 546 . 8 1 1 A 50 50 LEU H H 50 8.565 7.789 0.776 1
1 547 . 8 1 1 A 50 50 LEU HA H 50 3.994 3.808 0.186 1
1 557 . 8 1 1 A 50 50 LEU C C 50 180.128 178.802 1.326 1
1 558 . 8 1 1 A 50 50 LEU CA C 50 58.330 58.155 0.175 1
1 559 . 8 1 1 A 50 50 LEU CB C 50 41.060 41.794 -0.734 1
1 563 . 8 1 1 A 50 50 LEU N N 50 118.622 118.543 0.079 1
1 564 . 8 1 1 A 51 51 ASP H H 51 7.962 7.992 -0.030 1
1 565 . 8 1 1 A 51 51 ASP HA H 51 4.480 4.443 0.037 1
1 568 . 8 1 1 A 51 51 ASP C C 51 178.808 179.013 -0.205 1
1 569 . 8 1 1 A 51 51 ASP CA C 51 57.802 57.353 0.449 1
1 570 . 8 1 1 A 51 51 ASP CB C 51 41.435 40.712 0.723 1
1 571 . 8 1 1 A 51 51 ASP N N 51 120.483 118.883 1.600 1
1 572 . 8 1 1 A 52 52 LEU H H 52 8.228 7.825 0.403 1
1 573 . 8 1 1 A 52 52 LEU HA H 52 4.006 4.107 -0.101 1
1 583 . 8 1 1 A 52 52 LEU C C 52 179.173 179.730 -0.557 1
1 584 . 8 1 1 A 52 52 LEU CA C 52 58.190 56.801 1.389 1
1 585 . 8 1 1 A 52 52 LEU CB C 52 43.222 41.387 1.835 1
1 589 . 8 1 1 A 52 52 LEU N N 52 121.105 120.222 0.883 1
1 590 . 8 1 1 A 53 53 LYS H H 53 8.531 8.201 0.330 1
1 591 . 8 1 1 A 53 53 LYS HA H 53 3.872 4.098 -0.226 1
1 600 . 8 1 1 A 53 53 LYS C C 53 179.984 178.897 1.087 1
1 601 . 8 1 1 A 53 53 LYS CA C 53 60.699 59.508 1.191 1
1 602 . 8 1 1 A 53 53 LYS CB C 53 32.239 32.359 -0.120 1
1 606 . 8 1 1 A 53 53 LYS N N 53 118.013 120.019 -2.006 1
1 607 . 8 1 1 A 54 54 LYS H H 54 8.090 8.105 -0.015 1
1 608 . 8 1 1 A 54 54 LYS HA H 54 4.165 4.106 0.059 1
1 616 . 8 1 1 A 54 54 LYS C C 54 178.638 178.741 -0.103 1
1 617 . 8 1 1 A 54 54 LYS CA C 54 59.847 59.076 0.771 1
1 618 . 8 1 1 A 54 54 LYS CB C 54 32.116 32.299 -0.183 1
1 622 . 8 1 1 A 54 54 LYS N N 54 122.616 118.724 3.892 1
1 623 . 8 1 1 A 55 55 GLN H H 55 8.214 7.731 0.483 1
1 624 . 8 1 1 A 55 55 GLN HA H 55 3.976 4.106 -0.130 1
1 631 . 8 1 1 A 55 55 GLN C C 55 179.696 178.277 1.419 1
1 632 . 8 1 1 A 55 55 GLN CA C 55 59.177 58.383 0.794 1
1 633 . 8 1 1 A 55 55 GLN CB C 55 29.400 28.467 0.933 1
1 635 . 8 1 1 A 55 55 GLN N N 55 119.132 119.050 0.082 1
1 637 . 8 1 1 A 56 56 LEU H H 56 8.506 8.010 0.496 1
1 638 . 8 1 1 A 56 56 LEU HA H 56 4.116 4.118 -0.002 1
1 648 . 8 1 1 A 56 56 LEU C C 56 176.782 178.266 -1.484 1
1 649 . 8 1 1 A 56 56 LEU CA C 56 57.925 58.137 -0.212 1
1 650 . 8 1 1 A 56 56 LEU CB C 56 41.465 41.465 0.000 1
1 654 . 8 1 1 A 56 56 LEU N N 56 122.033 122.231 -0.198 1
1 655 . 8 1 1 A 57 57 ALA H H 57 7.896 7.787 0.109 1
1 656 . 8 1 1 A 57 57 ALA HA H 57 4.232 4.031 0.201 1
1 660 . 8 1 1 A 57 57 ALA C C 57 180.928 179.708 1.220 1
1 661 . 8 1 1 A 57 57 ALA CA C 57 55.246 55.333 -0.087 1
1 662 . 8 1 1 A 57 57 ALA CB C 57 17.776 18.622 -0.846 1
1 663 . 8 1 1 A 57 57 ALA N N 57 121.379 120.987 0.392 1
1 664 . 8 1 1 A 58 58 VAL H H 58 7.973 7.960 0.013 1
1 665 . 8 1 1 A 58 58 VAL HA H 58 3.761 3.614 0.147 1
1 673 . 8 1 1 A 58 58 VAL C C 58 179.410 177.914 1.496 1
1 674 . 8 1 1 A 58 58 VAL CA C 58 65.807 66.702 -0.895 1
1 675 . 8 1 1 A 58 58 VAL CB C 58 31.978 31.584 0.394 1
1 678 . 8 1 1 A 58 58 VAL N N 58 117.592 117.727 -0.135 1
1 679 . 8 1 1 A 59 59 ALA H H 59 8.024 8.673 -0.649 1
1 680 . 8 1 1 A 59 59 ALA HA H 59 4.133 3.977 0.156 1
1 684 . 8 1 1 A 59 59 ALA C C 59 179.359 179.879 -0.520 1
1 685 . 8 1 1 A 59 59 ALA CA C 59 54.805 55.813 -1.008 1
1 686 . 8 1 1 A 59 59 ALA CB C 59 18.513 18.437 0.076 1
1 687 . 8 1 1 A 59 59 ALA N N 59 124.023 121.837 2.186 1
1 688 . 8 1 1 A 60 60 GLU H H 60 8.334 7.748 0.586 1
1 689 . 8 1 1 A 60 60 GLU HA H 60 4.143 4.123 0.020 1
1 694 . 8 1 1 A 60 60 GLU C C 60 177.391 176.372 1.019 1
1 695 . 8 1 1 A 60 60 GLU CA C 60 57.915 58.316 -0.401 1
1 696 . 8 1 1 A 60 60 GLU CB C 60 30.962 30.262 0.700 1
1 698 . 8 1 1 A 60 60 GLU N N 60 115.335 116.741 -1.406 1
1 699 . 8 1 1 A 61 61 GLY H H 61 7.845 7.648 0.197 1
1 700 . 8 1 1 A 61 61 GLY HA2 H 61 3.958 4.031 -0.073 1
1 701 . 8 1 1 A 61 61 GLY HA3 H 61 3.958 4.031 -0.073 1
1 702 . 8 1 1 A 61 61 GLY C C 61 174.090 174.869 -0.779 1
1 703 . 8 1 1 A 61 61 GLY CA C 61 45.654 45.446 0.208 1
1 704 . 8 1 1 A 61 61 GLY N N 61 107.486 107.090 0.396 1
1 705 . 8 1 1 A 62 62 LYS H H 62 8.068 7.816 0.252 1
1 706 . 8 1 1 A 62 62 LYS HA H 62 4.612 4.419 0.193 1
1 715 . 8 1 1 A 62 62 LYS C C 62 174.023 174.436 -0.413 1
1 716 . 8 1 1 A 62 62 LYS CA C 62 54.147 54.507 -0.360 1
1 717 . 8 1 1 A 62 62 LYS CB C 62 32.651 32.045 0.606 1
1 721 . 8 1 1 A 62 62 LYS N N 62 121.672 121.418 0.254 1
1 722 . 8 1 1 A 63 63 PRO HA H 63 4.692 4.669 0.023 1
1 729 . 8 1 1 A 63 63 PRO CA C 63 61.351 61.461 -0.110 1
1 730 . 8 1 1 A 63 63 PRO CB C 63 30.892 31.376 -0.484 1
1 733 . 8 1 1 A 64 64 PRO HA H 64 4.408 4.530 -0.122 1
1 740 . 8 1 1 A 64 64 PRO C C 64 176.775 177.344 -0.569 1
1 741 . 8 1 1 A 64 64 PRO CA C 64 62.926 62.338 0.588 1
1 742 . 8 1 1 A 64 64 PRO CB C 64 32.074 33.098 -1.024 1
1 745 . 8 1 1 A 65 65 GLU H H 65 8.396 8.730 -0.334 1
1 746 . 8 1 1 A 65 65 GLU HA H 65 4.243 3.973 0.270 1
1 751 . 8 1 1 A 65 65 GLU C C 65 175.888 176.675 -0.787 1
1 752 . 8 1 1 A 65 65 GLU CA C 65 56.083 60.075 -3.992 1
1 753 . 8 1 1 A 65 65 GLU CB C 65 30.722 29.613 1.109 1
1 755 . 8 1 1 A 65 65 GLU N N 65 121.093 121.062 0.031 1
1 756 . 8 1 1 A 66 66 ALA H H 66 8.434 7.878 0.556 1
1 757 . 8 1 1 A 66 66 ALA HA H 66 4.583 4.154 0.429 1
1 761 . 8 1 1 A 66 66 ALA C C 66 175.504 178.005 -2.501 1
1 762 . 8 1 1 A 66 66 ALA CA C 66 50.482 52.830 -2.348 1
1 763 . 8 1 1 A 66 66 ALA CB C 66 18.108 17.272 0.836 1
1 764 . 8 1 1 A 66 66 ALA N N 66 127.348 119.682 7.666 1
1 765 . 8 1 1 A 67 67 PRO HA H 67 4.408 4.359 0.049 1
1 772 . 8 1 1 A 67 67 PRO C C 67 177.111 177.540 -0.429 1
1 773 . 8 1 1 A 67 67 PRO CA C 67 63.056 65.437 -2.381 1
1 774 . 8 1 1 A 67 67 PRO CB C 67 32.074 31.305 0.769 1
1 777 . 8 1 1 A 68 68 LYS H H 68 8.479 8.029 0.450 1
1 778 . 8 1 1 A 68 68 LYS HA H 68 4.291 3.940 0.351 1
1 787 . 8 1 1 A 68 68 LYS C C 68 177.292 175.413 1.879 1
1 788 . 8 1 1 A 68 68 LYS CA C 68 56.322 57.388 -1.066 1
1 789 . 8 1 1 A 68 68 LYS CB C 68 33.146 31.101 2.045 1
1 793 . 8 1 1 A 68 68 LYS N N 68 121.836 119.032 2.804 1
1 794 . 8 1 1 A 69 69 GLY H H 69 8.387 8.189 0.198 1
1 795 . 8 1 1 A 69 69 GLY HA2 H 69 3.948 4.095 -0.147 1
1 796 . 8 1 1 A 69 69 GLY HA3 H 69 3.948 4.095 -0.147 1
1 797 . 8 1 1 A 69 69 GLY C C 69 173.940 172.868 1.072 1
1 798 . 8 1 1 A 69 69 GLY CA C 69 45.160 44.584 0.576 1
1 799 . 8 1 1 A 69 69 GLY N N 69 109.796 106.433 3.363 1
1 800 . 8 1 1 A 70 70 LYS H H 70 8.196 8.360 -0.164 1
1 801 . 8 1 1 A 70 70 LYS HA H 70 4.318 4.291 0.027 1
1 810 . 8 1 1 A 70 70 LYS C C 70 176.642 176.728 -0.086 1
1 811 . 8 1 1 A 70 70 LYS CA C 70 56.127 55.870 0.257 1
1 812 . 8 1 1 A 70 70 LYS CB C 70 33.272 33.108 0.164 1
1 816 . 8 1 1 A 70 70 LYS N N 70 121.044 119.972 1.072 1
1 817 . 8 1 1 A 71 71 LYS H H 71 8.348 8.411 -0.063 1
1 818 . 8 1 1 A 71 71 LYS HA H 71 4.273 4.213 0.060 1
1 827 . 8 1 1 A 71 71 LYS C C 71 176.548 177.346 -0.798 1
1 828 . 8 1 1 A 71 71 LYS CA C 71 56.285 56.581 -0.296 1
1 829 . 8 1 1 A 71 71 LYS CB C 71 33.270 33.087 0.183 1
1 833 . 8 1 1 A 71 71 LYS N N 71 123.152 122.608 0.544 1
1 834 . 8 1 1 A 72 72 LYS H H 72 8.405 8.852 -0.447 1
1 835 . 8 1 1 A 72 72 LYS HA H 72 4.273 3.868 0.405 1
1 836 . 8 1 1 A 72 72 LYS C C 72 176.499 176.953 -0.454 1
1 837 . 8 1 1 A 72 72 LYS CA C 72 56.356 59.675 -3.319 1
1 838 . 8 1 1 A 72 72 LYS CB C 72 33.146 32.863 0.283 1
1 1 . 9 1 1 A 7 7 GLY HA2 H 7 4.042 4.221 -0.179 1
1 2 . 9 1 1 A 7 7 GLY HA3 H 7 4.042 4.221 -0.179 1
1 3 . 9 1 1 A 7 7 GLY C C 7 174.377 172.496 1.881 1
1 4 . 9 1 1 A 7 7 GLY CA C 7 45.425 44.779 0.646 1
1 5 . 9 1 1 A 8 8 THR H H 8 8.131 8.923 -0.792 1
1 6 . 9 1 1 A 8 8 THR HA H 8 4.448 4.778 -0.330 1
1 11 . 9 1 1 A 8 8 THR C C 8 174.773 173.697 1.076 1
1 12 . 9 1 1 A 8 8 THR CA C 8 61.787 61.227 0.560 1
1 13 . 9 1 1 A 8 8 THR CB C 8 69.913 72.165 -2.252 1
1 15 . 9 1 1 A 8 8 THR N N 8 113.630 119.282 -5.652 1
1 16 . 9 1 1 A 9 9 THR H H 9 8.180 8.897 -0.717 1
1 17 . 9 1 1 A 9 9 THR HA H 9 4.355 4.910 -0.555 1
1 22 . 9 1 1 A 9 9 THR C C 9 174.203 173.520 0.683 1
1 23 . 9 1 1 A 9 9 THR CA C 9 61.892 62.049 -0.157 1
1 24 . 9 1 1 A 9 9 THR CB C 9 69.891 69.486 0.405 1
1 26 . 9 1 1 A 9 9 THR N N 9 116.604 123.514 -6.910 1
1 27 . 9 1 1 A 10 10 ALA H H 10 8.405 8.316 0.089 1
1 28 . 9 1 1 A 10 10 ALA HA H 10 4.376 4.830 -0.454 1
1 32 . 9 1 1 A 10 10 ALA C C 10 177.430 177.303 0.127 1
1 33 . 9 1 1 A 10 10 ALA CA C 10 52.317 50.528 1.789 1
1 34 . 9 1 1 A 10 10 ALA CB C 10 19.506 22.605 -3.099 1
1 35 . 9 1 1 A 10 10 ALA N N 10 126.934 128.490 -1.556 1
1 36 . 9 1 1 A 11 11 LYS H H 11 8.462 9.292 -0.830 1
1 37 . 9 1 1 A 11 11 LYS HA H 11 4.575 3.973 0.602 1
1 46 . 9 1 1 A 11 11 LYS C C 11 174.921 176.499 -1.578 1
1 47 . 9 1 1 A 11 11 LYS CA C 11 55.122 61.442 -6.320 1
1 48 . 9 1 1 A 11 11 LYS CB C 11 31.910 30.590 1.320 1
1 52 . 9 1 1 A 11 11 LYS N N 11 121.526 119.770 1.756 1
1 53 . 9 1 1 A 12 12 PRO HA H 12 4.363 4.420 -0.057 1
1 60 . 9 1 1 A 12 12 PRO C C 12 178.290 178.667 -0.377 1
1 61 . 9 1 1 A 12 12 PRO CA C 12 64.502 64.651 -0.149 1
1 62 . 9 1 1 A 12 12 PRO CB C 12 31.992 31.421 0.571 1
1 65 . 9 1 1 A 13 13 GLN H H 13 8.665 8.127 0.538 1
1 66 . 9 1 1 A 13 13 GLN HA H 13 4.158 4.335 -0.177 1
1 73 . 9 1 1 A 13 13 GLN C C 13 177.727 177.596 0.131 1
1 74 . 9 1 1 A 13 13 GLN CA C 13 58.366 58.400 -0.034 1
1 75 . 9 1 1 A 13 13 GLN CB C 13 28.584 29.649 -1.065 1
1 77 . 9 1 1 A 13 13 GLN N N 13 119.964 117.811 2.153 1
1 79 . 9 1 1 A 14 14 GLN H H 14 8.376 8.263 0.113 1
1 80 . 9 1 1 A 14 14 GLN HA H 14 4.217 4.100 0.117 1
1 87 . 9 1 1 A 14 14 GLN C C 14 178.304 177.997 0.307 1
1 88 . 9 1 1 A 14 14 GLN CA C 14 58.190 58.196 -0.006 1
1 89 . 9 1 1 A 14 14 GLN CB C 14 28.639 28.441 0.198 1
1 91 . 9 1 1 A 14 14 GLN N N 14 120.039 117.304 2.735 1
1 93 . 9 1 1 A 15 15 ILE H H 15 7.802 7.598 0.204 1
1 94 . 9 1 1 A 15 15 ILE HA H 15 3.654 3.651 0.003 1
1 104 . 9 1 1 A 15 15 ILE C C 15 177.183 177.859 -0.676 1
1 105 . 9 1 1 A 15 15 ILE CA C 15 64.643 64.697 -0.054 1
1 106 . 9 1 1 A 15 15 ILE CB C 15 37.828 37.949 -0.121 1
1 110 . 9 1 1 A 15 15 ILE N N 15 119.981 121.344 -1.363 1
1 111 . 9 1 1 A 16 16 GLN H H 16 8.159 7.766 0.393 1
1 112 . 9 1 1 A 16 16 GLN HA H 16 3.958 4.000 -0.042 1
1 119 . 9 1 1 A 16 16 GLN C C 16 177.647 177.999 -0.352 1
1 120 . 9 1 1 A 16 16 GLN CA C 16 58.648 59.220 -0.572 1
1 121 . 9 1 1 A 16 16 GLN CB C 16 28.531 28.641 -0.110 1
1 123 . 9 1 1 A 16 16 GLN N N 16 119.695 119.833 -0.138 1
1 125 . 9 1 1 A 17 17 ALA H H 17 7.946 7.993 -0.047 1
1 126 . 9 1 1 A 17 17 ALA HA H 17 4.239 4.098 0.141 1
1 130 . 9 1 1 A 17 17 ALA C C 17 180.910 179.990 0.920 1
1 131 . 9 1 1 A 17 17 ALA CA C 17 55.106 55.088 0.018 1
1 132 . 9 1 1 A 17 17 ALA CB C 17 17.990 18.433 -0.443 1
1 133 . 9 1 1 A 17 17 ALA N N 17 120.227 120.844 -0.617 1
1 134 . 9 1 1 A 18 18 LEU H H 18 7.682 8.301 -0.619 1
1 135 . 9 1 1 A 18 18 LEU HA H 18 4.187 3.875 0.312 1
1 145 . 9 1 1 A 18 18 LEU C C 18 178.977 179.210 -0.233 1
1 146 . 9 1 1 A 18 18 LEU CA C 18 57.890 58.110 -0.220 1
1 147 . 9 1 1 A 18 18 LEU CB C 18 43.361 42.013 1.348 1
1 151 . 9 1 1 A 18 18 LEU N N 18 119.764 118.623 1.141 1
1 152 . 9 1 1 A 19 19 MET H H 19 8.699 8.801 -0.102 1
1 153 . 9 1 1 A 19 19 MET HA H 19 3.965 4.091 -0.126 1
1 161 . 9 1 1 A 19 19 MET C C 19 179.207 178.141 1.066 1
1 162 . 9 1 1 A 19 19 MET CA C 19 59.794 58.240 1.554 1
1 163 . 9 1 1 A 19 19 MET CB C 19 32.445 31.637 0.808 1
1 166 . 9 1 1 A 19 19 MET N N 19 119.982 116.298 3.684 1
1 167 . 9 1 1 A 20 20 ASP H H 20 8.435 7.705 0.730 1
1 168 . 9 1 1 A 20 20 ASP HA H 20 4.453 4.425 0.028 1
1 171 . 9 1 1 A 20 20 ASP C C 20 179.127 178.069 1.058 1
1 172 . 9 1 1 A 20 20 ASP CA C 20 57.449 56.978 0.471 1
1 173 . 9 1 1 A 20 20 ASP CB C 20 39.986 41.331 -1.345 1
1 174 . 9 1 1 A 20 20 ASP N N 20 120.434 120.530 -0.096 1
1 175 . 9 1 1 A 21 21 GLU H H 21 8.150 8.070 0.080 1
1 176 . 9 1 1 A 21 21 GLU HA H 21 4.168 4.090 0.078 1
1 181 . 9 1 1 A 21 21 GLU C C 21 179.405 178.954 0.451 1
1 182 . 9 1 1 A 21 21 GLU CA C 21 59.477 59.224 0.253 1
1 183 . 9 1 1 A 21 21 GLU CB C 21 29.441 29.362 0.079 1
1 185 . 9 1 1 A 21 21 GLU N N 21 122.159 117.978 4.181 1
1 186 . 9 1 1 A 22 22 VAL H H 22 8.754 8.398 0.356 1
1 187 . 9 1 1 A 22 22 VAL HA H 22 3.484 3.630 -0.146 1
1 195 . 9 1 1 A 22 22 VAL C C 22 179.177 178.711 0.466 1
1 196 . 9 1 1 A 22 22 VAL CA C 22 67.545 66.401 1.144 1
1 197 . 9 1 1 A 22 22 VAL CB C 22 31.712 31.665 0.047 1
1 200 . 9 1 1 A 22 22 VAL N N 22 121.967 121.205 0.762 1
1 201 . 9 1 1 A 23 23 THR H H 23 8.410 8.250 0.160 1
1 202 . 9 1 1 A 23 23 THR HA H 23 3.888 3.852 0.036 1
1 207 . 9 1 1 A 23 23 THR C C 23 176.515 176.087 0.428 1
1 208 . 9 1 1 A 23 23 THR CA C 23 66.706 67.075 -0.369 1
1 209 . 9 1 1 A 23 23 THR CB C 23 68.646 68.643 0.003 1
1 211 . 9 1 1 A 23 23 THR N N 23 119.619 116.743 2.876 1
1 212 . 9 1 1 A 24 24 LYS H H 24 8.179 8.297 -0.118 1
1 213 . 9 1 1 A 24 24 LYS HA H 24 4.055 3.891 0.164 1
1 219 . 9 1 1 A 24 24 LYS C C 24 179.223 178.738 0.485 1
1 220 . 9 1 1 A 24 24 LYS CA C 24 59.865 59.810 0.055 1
1 221 . 9 1 1 A 24 24 LYS CB C 24 32.733 32.440 0.293 1
1 225 . 9 1 1 A 24 24 LYS N N 24 122.464 121.373 1.091 1
1 226 . 9 1 1 A 25 25 GLN H H 25 8.791 8.245 0.546 1
1 227 . 9 1 1 A 25 25 GLN HA H 25 4.266 3.984 0.282 1
1 234 . 9 1 1 A 25 25 GLN C C 25 178.359 178.751 -0.392 1
1 235 . 9 1 1 A 25 25 GLN CA C 25 57.273 59.416 -2.143 1
1 236 . 9 1 1 A 25 25 GLN CB C 25 26.830 28.241 -1.411 1
1 238 . 9 1 1 A 25 25 GLN N N 25 120.181 118.418 1.763 1
1 240 . 9 1 1 A 26 26 GLY H H 26 8.828 8.138 0.690 1
1 241 . 9 1 1 A 26 26 GLY HA2 H 26 4.099 3.786 0.313 1
1 242 . 9 1 1 A 26 26 GLY HA3 H 26 3.788 3.786 0.002 1
1 243 . 9 1 1 A 26 26 GLY C C 26 176.618 176.178 0.440 1
1 244 . 9 1 1 A 26 26 GLY CA C 26 47.161 47.372 -0.211 1
1 245 . 9 1 1 A 26 26 GLY N N 26 108.597 107.727 0.870 1
1 246 . 9 1 1 A 27 27 ASN H H 27 7.910 7.717 0.193 1
1 247 . 9 1 1 A 27 27 ASN HA H 27 4.582 4.525 0.057 1
1 252 . 9 1 1 A 27 27 ASN C C 27 177.317 176.847 0.470 1
1 253 . 9 1 1 A 27 27 ASN CA C 27 56.074 54.755 1.319 1
1 254 . 9 1 1 A 27 27 ASN CB C 27 37.729 38.323 -0.594 1
1 255 . 9 1 1 A 27 27 ASN N N 27 121.818 119.750 2.068 1
1 257 . 9 1 1 A 28 28 ILE H H 28 7.811 7.820 -0.009 1
1 258 . 9 1 1 A 28 28 ILE HA H 28 3.789 3.956 -0.167 1
1 268 . 9 1 1 A 28 28 ILE C C 28 178.445 178.132 0.313 1
1 269 . 9 1 1 A 28 28 ILE CA C 28 65.117 63.734 1.383 1
1 270 . 9 1 1 A 28 28 ILE CB C 28 37.914 36.948 0.966 1
1 274 . 9 1 1 A 28 28 ILE N N 28 123.083 119.766 3.317 1
1 275 . 9 1 1 A 29 29 VAL H H 29 8.018 7.782 0.236 1
1 276 . 9 1 1 A 29 29 VAL HA H 29 3.399 3.703 -0.304 1
1 284 . 9 1 1 A 29 29 VAL C C 29 176.953 178.103 -1.150 1
1 285 . 9 1 1 A 29 29 VAL CA C 29 67.541 66.392 1.149 1
1 286 . 9 1 1 A 29 29 VAL CB C 29 32.013 31.876 0.137 1
1 289 . 9 1 1 A 29 29 VAL N N 29 119.117 121.880 -2.763 1
1 290 . 9 1 1 A 30 30 ARG H H 30 7.965 8.019 -0.054 1
1 291 . 9 1 1 A 30 30 ARG HA H 30 3.928 4.059 -0.131 1
1 298 . 9 1 1 A 30 30 ARG C C 30 179.609 177.879 1.730 1
1 299 . 9 1 1 A 30 30 ARG CA C 30 60.006 58.798 1.208 1
1 300 . 9 1 1 A 30 30 ARG CB C 30 30.302 30.073 0.229 1
1 303 . 9 1 1 A 30 30 ARG N N 30 118.510 120.389 -1.879 1
1 304 . 9 1 1 A 31 31 GLU H H 31 8.211 8.168 0.043 1
1 305 . 9 1 1 A 31 31 GLU HA H 31 4.167 4.092 0.075 1
1 310 . 9 1 1 A 31 31 GLU C C 31 178.910 179.099 -0.189 1
1 311 . 9 1 1 A 31 31 GLU CA C 31 59.195 59.154 0.041 1
1 312 . 9 1 1 A 31 31 GLU CB C 31 29.437 28.950 0.487 1
1 314 . 9 1 1 A 31 31 GLU N N 31 120.110 118.243 1.867 1
1 315 . 9 1 1 A 32 32 LEU H H 32 8.287 7.904 0.383 1
1 316 . 9 1 1 A 32 32 LEU HA H 32 4.021 3.885 0.136 1
1 326 . 9 1 1 A 32 32 LEU C C 32 179.931 178.976 0.955 1
1 327 . 9 1 1 A 32 32 LEU CA C 32 57.979 57.722 0.257 1
1 328 . 9 1 1 A 32 32 LEU CB C 32 42.524 41.700 0.824 1
1 332 . 9 1 1 A 32 32 LEU N N 32 120.148 121.093 -0.945 1
1 333 . 9 1 1 A 33 33 LYS H H 33 8.205 7.868 0.337 1
1 334 . 9 1 1 A 33 33 LYS HA H 33 4.048 4.131 -0.083 1
1 343 . 9 1 1 A 33 33 LYS C C 33 180.739 178.855 1.884 1
1 344 . 9 1 1 A 33 33 LYS CA C 33 59.883 59.134 0.749 1
1 345 . 9 1 1 A 33 33 LYS CB C 33 32.569 31.875 0.694 1
1 349 . 9 1 1 A 33 33 LYS N N 33 117.234 117.412 -0.178 1
1 350 . 9 1 1 A 34 34 ALA H H 34 8.101 7.385 0.716 1
1 351 . 9 1 1 A 34 34 ALA HA H 34 4.185 4.216 -0.031 1
1 355 . 9 1 1 A 34 34 ALA C C 34 179.304 177.931 1.373 1
1 356 . 9 1 1 A 34 34 ALA CA C 34 54.734 53.329 1.405 1
1 357 . 9 1 1 A 34 34 ALA CB C 34 18.190 18.719 -0.529 1
1 358 . 9 1 1 A 34 34 ALA N N 34 123.540 121.328 2.212 1
1 359 . 9 1 1 A 35 35 GLN H H 35 7.815 7.279 0.536 1
1 360 . 9 1 1 A 35 35 GLN HA H 35 4.299 4.568 -0.269 1
1 367 . 9 1 1 A 35 35 GLN C C 35 175.344 174.550 0.794 1
1 368 . 9 1 1 A 35 35 GLN CA C 35 55.342 55.062 0.280 1
1 369 . 9 1 1 A 35 35 GLN CB C 35 28.819 28.742 0.077 1
1 371 . 9 1 1 A 35 35 GLN N N 35 115.126 116.658 -1.532 1
1 373 . 9 1 1 A 36 36 LYS H H 36 7.948 7.961 -0.013 1
1 374 . 9 1 1 A 36 36 LYS HA H 36 3.963 3.817 0.146 1
1 382 . 9 1 1 A 36 36 LYS C C 36 175.883 175.550 0.333 1
1 383 . 9 1 1 A 36 36 LYS CA C 36 56.872 57.261 -0.389 1
1 384 . 9 1 1 A 36 36 LYS CB C 36 28.917 29.658 -0.741 1
1 388 . 9 1 1 A 36 36 LYS N N 36 117.310 115.690 1.620 1
1 389 . 9 1 1 A 37 37 ALA H H 37 7.646 7.225 0.421 1
1 390 . 9 1 1 A 37 37 ALA HA H 37 4.226 4.237 -0.011 1
1 394 . 9 1 1 A 37 37 ALA C C 37 176.094 176.226 -0.132 1
1 395 . 9 1 1 A 37 37 ALA CA C 37 52.143 52.441 -0.298 1
1 396 . 9 1 1 A 37 37 ALA CB C 37 20.742 20.085 0.657 1
1 397 . 9 1 1 A 37 37 ALA N N 37 120.112 119.837 0.275 1
1 398 . 9 1 1 A 38 38 ASP H H 38 8.474 8.376 0.098 1
1 399 . 9 1 1 A 38 38 ASP HA H 38 4.387 4.615 -0.228 1
1 402 . 9 1 1 A 38 38 ASP C C 38 177.481 177.545 -0.064 1
1 403 . 9 1 1 A 38 38 ASP CA C 38 54.992 54.373 0.619 1
1 404 . 9 1 1 A 38 38 ASP CB C 38 43.156 42.610 0.546 1
1 405 . 9 1 1 A 38 38 ASP N N 38 119.141 120.249 -1.108 1
1 406 . 9 1 1 A 39 39 LYS H H 39 8.703 8.519 0.184 1
1 407 . 9 1 1 A 39 39 LYS HA H 39 3.967 3.935 0.032 1
1 414 . 9 1 1 A 39 39 LYS C C 39 178.806 178.776 0.030 1
1 415 . 9 1 1 A 39 39 LYS CA C 39 59.547 60.027 -0.480 1
1 416 . 9 1 1 A 39 39 LYS CB C 39 32.222 32.115 0.107 1
1 420 . 9 1 1 A 39 39 LYS N N 39 124.290 126.047 -1.757 1
1 421 . 9 1 1 A 40 40 ASN H H 40 8.873 8.145 0.728 1
1 422 . 9 1 1 A 40 40 ASN HA H 40 4.571 4.417 0.154 1
1 427 . 9 1 1 A 40 40 ASN C C 40 178.014 177.931 0.083 1
1 428 . 9 1 1 A 40 40 ASN CA C 40 56.091 56.672 -0.581 1
1 429 . 9 1 1 A 40 40 ASN CB C 40 37.900 39.188 -1.288 1
1 430 . 9 1 1 A 40 40 ASN N N 40 119.722 117.932 1.790 1
1 432 . 9 1 1 A 41 41 GLU H H 41 7.881 8.081 -0.200 1
1 433 . 9 1 1 A 41 41 GLU HA H 41 4.192 4.050 0.142 1
1 438 . 9 1 1 A 41 41 GLU C C 41 178.917 179.482 -0.565 1
1 439 . 9 1 1 A 41 41 GLU CA C 41 59.213 59.369 -0.156 1
1 440 . 9 1 1 A 41 41 GLU CB C 41 29.520 29.664 -0.144 1
1 442 . 9 1 1 A 41 41 GLU N N 41 124.025 118.787 5.238 1
1 443 . 9 1 1 A 42 42 VAL H H 42 8.061 8.232 -0.171 1
1 444 . 9 1 1 A 42 42 VAL HA H 42 3.397 3.527 -0.130 1
1 452 . 9 1 1 A 42 42 VAL C C 42 177.701 177.856 -0.155 1
1 453 . 9 1 1 A 42 42 VAL CA C 42 67.341 66.522 0.819 1
1 454 . 9 1 1 A 42 42 VAL CB C 42 32.075 31.524 0.551 1
1 457 . 9 1 1 A 42 42 VAL N N 42 117.921 121.308 -3.387 1
1 458 . 9 1 1 A 43 43 ALA H H 43 8.136 8.389 -0.253 1
1 459 . 9 1 1 A 43 43 ALA HA H 43 4.101 4.007 0.094 1
1 463 . 9 1 1 A 43 43 ALA C C 43 180.808 179.298 1.510 1
1 464 . 9 1 1 A 43 43 ALA CA C 43 55.404 55.650 -0.246 1
1 465 . 9 1 1 A 43 43 ALA CB C 43 17.722 18.671 -0.949 1
1 466 . 9 1 1 A 43 43 ALA N N 43 119.833 121.452 -1.619 1
1 467 . 9 1 1 A 44 44 ALA H H 44 7.664 8.055 -0.391 1
1 468 . 9 1 1 A 44 44 ALA HA H 44 4.234 4.019 0.215 1
1 472 . 9 1 1 A 44 44 ALA C C 44 180.953 180.225 0.728 1
1 473 . 9 1 1 A 44 44 ALA CA C 44 55.122 55.454 -0.332 1
1 474 . 9 1 1 A 44 44 ALA CB C 44 18.229 18.486 -0.257 1
1 475 . 9 1 1 A 44 44 ALA N N 44 121.026 119.164 1.862 1
1 476 . 9 1 1 A 45 45 GLU H H 45 7.837 7.936 -0.099 1
1 477 . 9 1 1 A 45 45 GLU HA H 45 4.447 4.001 0.446 1
1 482 . 9 1 1 A 45 45 GLU C C 45 180.357 179.526 0.831 1
1 483 . 9 1 1 A 45 45 GLU CA C 45 57.467 59.506 -2.039 1
1 484 . 9 1 1 A 45 45 GLU CB C 45 28.255 29.745 -1.490 1
1 486 . 9 1 1 A 45 45 GLU N N 45 118.409 117.975 0.434 1
1 487 . 9 1 1 A 46 46 VAL H H 46 9.024 8.188 0.836 1
1 488 . 9 1 1 A 46 46 VAL HA H 46 3.638 3.548 0.090 1
1 496 . 9 1 1 A 46 46 VAL C C 46 177.712 177.788 -0.076 1
1 497 . 9 1 1 A 46 46 VAL CA C 46 66.961 66.835 0.126 1
1 498 . 9 1 1 A 46 46 VAL CB C 46 31.910 31.460 0.450 1
1 501 . 9 1 1 A 46 46 VAL N N 46 124.975 120.901 4.074 1
1 502 . 9 1 1 A 47 47 ALA H H 47 8.130 8.534 -0.404 1
1 503 . 9 1 1 A 47 47 ALA HA H 47 4.093 4.046 0.047 1
1 507 . 9 1 1 A 47 47 ALA C C 47 180.853 179.682 1.171 1
1 508 . 9 1 1 A 47 47 ALA CA C 47 55.545 55.722 -0.177 1
1 509 . 9 1 1 A 47 47 ALA CB C 47 17.683 18.557 -0.874 1
1 510 . 9 1 1 A 47 47 ALA N N 47 122.493 121.843 0.650 1
1 511 . 9 1 1 A 48 48 LYS H H 48 7.442 7.657 -0.215 1
1 512 . 9 1 1 A 48 48 LYS HA H 48 4.183 4.115 0.068 1
1 521 . 9 1 1 A 48 48 LYS C C 48 178.698 178.438 0.260 1
1 522 . 9 1 1 A 48 48 LYS CA C 48 59.389 59.475 -0.086 1
1 523 . 9 1 1 A 48 48 LYS CB C 48 32.610 32.273 0.337 1
1 527 . 9 1 1 A 48 48 LYS N N 48 118.186 118.352 -0.166 1
1 528 . 9 1 1 A 49 49 LEU H H 49 7.822 8.472 -0.650 1
1 529 . 9 1 1 A 49 49 LEU HA H 49 4.012 3.986 0.026 1
1 539 . 9 1 1 A 49 49 LEU C C 49 177.582 178.316 -0.734 1
1 540 . 9 1 1 A 49 49 LEU CA C 49 58.490 58.294 0.196 1
1 541 . 9 1 1 A 49 49 LEU CB C 49 42.119 41.659 0.460 1
1 545 . 9 1 1 A 49 49 LEU N N 49 120.499 120.633 -0.134 1
1 546 . 9 1 1 A 50 50 LEU H H 50 8.565 8.599 -0.034 1
1 547 . 9 1 1 A 50 50 LEU HA H 50 3.994 3.963 0.031 1
1 557 . 9 1 1 A 50 50 LEU C C 50 180.128 179.095 1.033 1
1 558 . 9 1 1 A 50 50 LEU CA C 50 58.330 57.739 0.591 1
1 559 . 9 1 1 A 50 50 LEU CB C 50 41.060 41.322 -0.262 1
1 563 . 9 1 1 A 50 50 LEU N N 50 118.622 118.795 -0.173 1
1 564 . 9 1 1 A 51 51 ASP H H 51 7.962 7.997 -0.035 1
1 565 . 9 1 1 A 51 51 ASP HA H 51 4.480 4.474 0.006 1
1 568 . 9 1 1 A 51 51 ASP C C 51 178.808 178.510 0.298 1
1 569 . 9 1 1 A 51 51 ASP CA C 51 57.802 56.789 1.013 1
1 570 . 9 1 1 A 51 51 ASP CB C 51 41.435 40.332 1.103 1
1 571 . 9 1 1 A 51 51 ASP N N 51 120.483 119.511 0.972 1
1 572 . 9 1 1 A 52 52 LEU H H 52 8.228 7.907 0.321 1
1 573 . 9 1 1 A 52 52 LEU HA H 52 4.006 4.100 -0.094 1
1 583 . 9 1 1 A 52 52 LEU C C 52 179.173 179.461 -0.288 1
1 584 . 9 1 1 A 52 52 LEU CA C 52 58.190 56.483 1.707 1
1 585 . 9 1 1 A 52 52 LEU CB C 52 43.222 41.735 1.487 1
1 589 . 9 1 1 A 52 52 LEU N N 52 121.105 119.711 1.394 1
1 590 . 9 1 1 A 53 53 LYS H H 53 8.531 7.881 0.650 1
1 591 . 9 1 1 A 53 53 LYS HA H 53 3.872 4.048 -0.176 1
1 600 . 9 1 1 A 53 53 LYS C C 53 179.984 179.046 0.938 1
1 601 . 9 1 1 A 53 53 LYS CA C 53 60.699 59.594 1.105 1
1 602 . 9 1 1 A 53 53 LYS CB C 53 32.239 32.187 0.052 1
1 606 . 9 1 1 A 53 53 LYS N N 53 118.013 120.233 -2.220 1
1 607 . 9 1 1 A 54 54 LYS H H 54 8.090 8.057 0.033 1
1 608 . 9 1 1 A 54 54 LYS HA H 54 4.165 4.095 0.070 1
1 616 . 9 1 1 A 54 54 LYS C C 54 178.638 178.803 -0.165 1
1 617 . 9 1 1 A 54 54 LYS CA C 54 59.847 59.121 0.726 1
1 618 . 9 1 1 A 54 54 LYS CB C 54 32.116 32.260 -0.144 1
1 622 . 9 1 1 A 54 54 LYS N N 54 122.616 119.018 3.598 1
1 623 . 9 1 1 A 55 55 GLN H H 55 8.214 7.715 0.499 1
1 624 . 9 1 1 A 55 55 GLN HA H 55 3.976 4.049 -0.073 1
1 631 . 9 1 1 A 55 55 GLN C C 55 179.696 178.359 1.337 1
1 632 . 9 1 1 A 55 55 GLN CA C 55 59.177 58.662 0.515 1
1 633 . 9 1 1 A 55 55 GLN CB C 55 29.400 28.187 1.213 1
1 635 . 9 1 1 A 55 55 GLN N N 55 119.132 119.180 -0.048 1
1 637 . 9 1 1 A 56 56 LEU H H 56 8.506 7.733 0.773 1
1 638 . 9 1 1 A 56 56 LEU HA H 56 4.116 4.075 0.041 1
1 648 . 9 1 1 A 56 56 LEU C C 56 176.782 178.066 -1.284 1
1 649 . 9 1 1 A 56 56 LEU CA C 56 57.925 58.289 -0.364 1
1 650 . 9 1 1 A 56 56 LEU CB C 56 41.465 41.955 -0.490 1
1 654 . 9 1 1 A 56 56 LEU N N 56 122.033 122.002 0.031 1
1 655 . 9 1 1 A 57 57 ALA H H 57 7.896 7.857 0.039 1
1 656 . 9 1 1 A 57 57 ALA HA H 57 4.232 4.004 0.228 1
1 660 . 9 1 1 A 57 57 ALA C C 57 180.928 179.942 0.986 1
1 661 . 9 1 1 A 57 57 ALA CA C 57 55.246 55.366 -0.120 1
1 662 . 9 1 1 A 57 57 ALA CB C 57 17.776 18.391 -0.615 1
1 663 . 9 1 1 A 57 57 ALA N N 57 121.379 120.573 0.806 1
1 664 . 9 1 1 A 58 58 VAL H H 58 7.973 8.005 -0.032 1
1 665 . 9 1 1 A 58 58 VAL HA H 58 3.761 3.512 0.249 1
1 673 . 9 1 1 A 58 58 VAL C C 58 179.410 177.964 1.446 1
1 674 . 9 1 1 A 58 58 VAL CA C 58 65.807 66.676 -0.869 1
1 675 . 9 1 1 A 58 58 VAL CB C 58 31.978 31.515 0.463 1
1 678 . 9 1 1 A 58 58 VAL N N 58 117.592 118.475 -0.883 1
1 679 . 9 1 1 A 59 59 ALA H H 59 8.024 8.290 -0.266 1
1 680 . 9 1 1 A 59 59 ALA HA H 59 4.133 3.979 0.154 1
1 684 . 9 1 1 A 59 59 ALA C C 59 179.359 180.252 -0.893 1
1 685 . 9 1 1 A 59 59 ALA CA C 59 54.805 55.806 -1.001 1
1 686 . 9 1 1 A 59 59 ALA CB C 59 18.513 18.355 0.158 1
1 687 . 9 1 1 A 59 59 ALA N N 59 124.023 121.614 2.409 1
1 688 . 9 1 1 A 60 60 GLU H H 60 8.334 7.837 0.497 1
1 689 . 9 1 1 A 60 60 GLU HA H 60 4.143 4.105 0.038 1
1 694 . 9 1 1 A 60 60 GLU C C 60 177.391 177.308 0.083 1
1 695 . 9 1 1 A 60 60 GLU CA C 60 57.915 57.103 0.812 1
1 696 . 9 1 1 A 60 60 GLU CB C 60 30.962 29.634 1.328 1
1 698 . 9 1 1 A 60 60 GLU N N 60 115.335 115.660 -0.325 1
1 699 . 9 1 1 A 61 61 GLY H H 61 7.845 8.461 -0.616 1
1 700 . 9 1 1 A 61 61 GLY HA2 H 61 3.958 3.884 0.074 1
1 701 . 9 1 1 A 61 61 GLY HA3 H 61 3.958 3.884 0.074 1
1 702 . 9 1 1 A 61 61 GLY C C 61 174.090 174.037 0.053 1
1 703 . 9 1 1 A 61 61 GLY CA C 61 45.654 45.967 -0.313 1
1 704 . 9 1 1 A 61 61 GLY N N 61 107.486 108.103 -0.617 1
1 705 . 9 1 1 A 62 62 LYS H H 62 8.068 7.605 0.463 1
1 706 . 9 1 1 A 62 62 LYS HA H 62 4.612 4.776 -0.164 1
1 715 . 9 1 1 A 62 62 LYS C C 62 174.023 174.095 -0.072 1
1 716 . 9 1 1 A 62 62 LYS CA C 62 54.147 52.994 1.153 1
1 717 . 9 1 1 A 62 62 LYS CB C 62 32.651 33.454 -0.803 1
1 721 . 9 1 1 A 62 62 LYS N N 62 121.672 120.564 1.108 1
1 722 . 9 1 1 A 63 63 PRO HA H 63 4.692 4.638 0.054 1
1 729 . 9 1 1 A 63 63 PRO CA C 63 61.351 61.525 -0.174 1
1 730 . 9 1 1 A 63 63 PRO CB C 63 30.892 31.520 -0.628 1
1 733 . 9 1 1 A 64 64 PRO HA H 64 4.408 4.555 -0.147 1
1 740 . 9 1 1 A 64 64 PRO C C 64 176.775 176.162 0.613 1
1 741 . 9 1 1 A 64 64 PRO CA C 64 62.926 62.268 0.658 1
1 742 . 9 1 1 A 64 64 PRO CB C 64 32.074 33.320 -1.246 1
1 745 . 9 1 1 A 65 65 GLU H H 65 8.396 8.618 -0.222 1
1 746 . 9 1 1 A 65 65 GLU HA H 65 4.243 4.379 -0.136 1
1 751 . 9 1 1 A 65 65 GLU C C 65 175.888 176.418 -0.530 1
1 752 . 9 1 1 A 65 65 GLU CA C 65 56.083 55.881 0.202 1
1 753 . 9 1 1 A 65 65 GLU CB C 65 30.722 27.711 3.011 1
1 755 . 9 1 1 A 65 65 GLU N N 65 121.093 120.486 0.607 1
1 756 . 9 1 1 A 66 66 ALA H H 66 8.434 8.520 -0.086 1
1 757 . 9 1 1 A 66 66 ALA HA H 66 4.583 4.129 0.454 1
1 761 . 9 1 1 A 66 66 ALA C C 66 175.504 175.711 -0.207 1
1 762 . 9 1 1 A 66 66 ALA CA C 66 50.482 56.901 -6.419 1
1 763 . 9 1 1 A 66 66 ALA CB C 66 18.108 17.416 0.692 1
1 764 . 9 1 1 A 66 66 ALA N N 66 127.348 125.082 2.266 1
1 765 . 9 1 1 A 67 67 PRO HA H 67 4.408 4.272 0.136 1
1 772 . 9 1 1 A 67 67 PRO C C 67 177.111 179.240 -2.129 1
1 773 . 9 1 1 A 67 67 PRO CA C 67 63.056 66.213 -3.157 1
1 774 . 9 1 1 A 67 67 PRO CB C 67 32.074 30.709 1.365 1
1 777 . 9 1 1 A 68 68 LYS H H 68 8.479 8.211 0.268 1
1 778 . 9 1 1 A 68 68 LYS HA H 68 4.291 4.048 0.243 1
1 787 . 9 1 1 A 68 68 LYS C C 68 177.292 178.039 -0.747 1
1 788 . 9 1 1 A 68 68 LYS CA C 68 56.322 59.375 -3.053 1
1 789 . 9 1 1 A 68 68 LYS CB C 68 33.146 32.101 1.045 1
1 793 . 9 1 1 A 68 68 LYS N N 68 121.836 118.270 3.566 1
1 794 . 9 1 1 A 69 69 GLY H H 69 8.387 8.069 0.318 1
1 795 . 9 1 1 A 69 69 GLY HA2 H 69 3.948 4.020 -0.072 1
1 796 . 9 1 1 A 69 69 GLY HA3 H 69 3.948 4.020 -0.072 1
1 797 . 9 1 1 A 69 69 GLY C C 69 173.940 173.324 0.616 1
1 798 . 9 1 1 A 69 69 GLY CA C 69 45.160 44.246 0.914 1
1 799 . 9 1 1 A 69 69 GLY N N 69 109.796 108.284 1.512 1
1 800 . 9 1 1 A 70 70 LYS H H 70 8.196 8.454 -0.258 1
1 801 . 9 1 1 A 70 70 LYS HA H 70 4.318 4.470 -0.152 1
1 810 . 9 1 1 A 70 70 LYS C C 70 176.642 177.165 -0.523 1
1 811 . 9 1 1 A 70 70 LYS CA C 70 56.127 55.482 0.645 1
1 812 . 9 1 1 A 70 70 LYS CB C 70 33.272 33.703 -0.431 1
1 816 . 9 1 1 A 70 70 LYS N N 70 121.044 120.312 0.732 1
1 817 . 9 1 1 A 71 71 LYS H H 71 8.348 8.384 -0.036 1
1 818 . 9 1 1 A 71 71 LYS HA H 71 4.273 4.699 -0.426 1
1 827 . 9 1 1 A 71 71 LYS C C 71 176.548 177.311 -0.763 1
1 828 . 9 1 1 A 71 71 LYS CA C 71 56.285 55.064 1.221 1
1 829 . 9 1 1 A 71 71 LYS CB C 71 33.270 32.219 1.051 1
1 833 . 9 1 1 A 71 71 LYS N N 71 123.152 118.686 4.466 1
1 834 . 9 1 1 A 72 72 LYS H H 72 8.405 7.847 0.558 1
1 835 . 9 1 1 A 72 72 LYS HA H 72 4.273 4.124 0.149 1
1 836 . 9 1 1 A 72 72 LYS C C 72 176.499 176.673 -0.174 1
1 837 . 9 1 1 A 72 72 LYS CA C 72 56.356 58.811 -2.455 1
1 838 . 9 1 1 A 72 72 LYS CB C 72 33.146 33.366 -0.220 1
1 1 . 10 1 1 A 7 7 GLY HA2 H 7 4.042 4.037 0.005 1
1 2 . 10 1 1 A 7 7 GLY HA3 H 7 4.042 4.037 0.005 1
1 3 . 10 1 1 A 7 7 GLY C C 7 174.377 174.902 -0.525 1
1 4 . 10 1 1 A 7 7 GLY CA C 7 45.425 45.667 -0.242 1
1 5 . 10 1 1 A 8 8 THR H H 8 8.131 8.131 0.000 1
1 6 . 10 1 1 A 8 8 THR HA H 8 4.448 4.005 0.443 1
1 11 . 10 1 1 A 8 8 THR C C 8 174.773 173.991 0.782 1
1 12 . 10 1 1 A 8 8 THR CA C 8 61.787 62.807 -1.020 1
1 13 . 10 1 1 A 8 8 THR CB C 8 69.913 67.140 2.773 1
1 15 . 10 1 1 A 8 8 THR N N 8 113.630 116.779 -3.149 1
1 16 . 10 1 1 A 9 9 THR H H 9 8.180 7.741 0.439 1
1 17 . 10 1 1 A 9 9 THR HA H 9 4.355 4.301 0.054 1
1 22 . 10 1 1 A 9 9 THR C C 9 174.203 173.733 0.470 1
1 23 . 10 1 1 A 9 9 THR CA C 9 61.892 62.297 -0.405 1
1 24 . 10 1 1 A 9 9 THR CB C 9 69.891 70.348 -0.457 1
1 26 . 10 1 1 A 9 9 THR N N 9 116.604 112.899 3.705 1
1 27 . 10 1 1 A 10 10 ALA H H 10 8.405 8.585 -0.180 1
1 28 . 10 1 1 A 10 10 ALA HA H 10 4.376 4.719 -0.343 1
1 32 . 10 1 1 A 10 10 ALA C C 10 177.430 177.062 0.368 1
1 33 . 10 1 1 A 10 10 ALA CA C 10 52.317 51.464 0.853 1
1 34 . 10 1 1 A 10 10 ALA CB C 10 19.506 22.843 -3.337 1
1 35 . 10 1 1 A 10 10 ALA N N 10 126.934 122.296 4.638 1
1 36 . 10 1 1 A 11 11 LYS H H 11 8.462 9.193 -0.731 1
1 37 . 10 1 1 A 11 11 LYS HA H 11 4.575 3.979 0.596 1
1 46 . 10 1 1 A 11 11 LYS C C 11 174.921 176.531 -1.610 1
1 47 . 10 1 1 A 11 11 LYS CA C 11 55.122 61.434 -6.312 1
1 48 . 10 1 1 A 11 11 LYS CB C 11 31.910 30.576 1.334 1
1 52 . 10 1 1 A 11 11 LYS N N 11 121.526 119.748 1.778 1
1 53 . 10 1 1 A 12 12 PRO HA H 12 4.363 4.420 -0.057 1
1 60 . 10 1 1 A 12 12 PRO C C 12 178.290 177.832 0.458 1
1 61 . 10 1 1 A 12 12 PRO CA C 12 64.502 64.708 -0.206 1
1 62 . 10 1 1 A 12 12 PRO CB C 12 31.992 31.381 0.611 1
1 65 . 10 1 1 A 13 13 GLN H H 13 8.665 8.245 0.420 1
1 66 . 10 1 1 A 13 13 GLN HA H 13 4.158 4.362 -0.204 1
1 73 . 10 1 1 A 13 13 GLN C C 13 177.727 178.174 -0.447 1
1 74 . 10 1 1 A 13 13 GLN CA C 13 58.366 57.947 0.419 1
1 75 . 10 1 1 A 13 13 GLN CB C 13 28.584 29.803 -1.219 1
1 77 . 10 1 1 A 13 13 GLN N N 13 119.964 116.702 3.262 1
1 79 . 10 1 1 A 14 14 GLN H H 14 8.376 8.186 0.190 1
1 80 . 10 1 1 A 14 14 GLN HA H 14 4.217 4.079 0.138 1
1 87 . 10 1 1 A 14 14 GLN C C 14 178.304 178.118 0.186 1
1 88 . 10 1 1 A 14 14 GLN CA C 14 58.190 58.350 -0.160 1
1 89 . 10 1 1 A 14 14 GLN CB C 14 28.639 28.500 0.139 1
1 91 . 10 1 1 A 14 14 GLN N N 14 120.039 117.826 2.213 1
1 93 . 10 1 1 A 15 15 ILE H H 15 7.802 7.612 0.190 1
1 94 . 10 1 1 A 15 15 ILE HA H 15 3.654 3.694 -0.040 1
1 104 . 10 1 1 A 15 15 ILE C C 15 177.183 177.880 -0.697 1
1 105 . 10 1 1 A 15 15 ILE CA C 15 64.643 64.303 0.340 1
1 106 . 10 1 1 A 15 15 ILE CB C 15 37.828 37.926 -0.098 1
1 110 . 10 1 1 A 15 15 ILE N N 15 119.981 121.374 -1.393 1
1 111 . 10 1 1 A 16 16 GLN H H 16 8.159 8.193 -0.034 1
1 112 . 10 1 1 A 16 16 GLN HA H 16 3.958 3.915 0.043 1
1 119 . 10 1 1 A 16 16 GLN C C 16 177.647 177.797 -0.150 1
1 120 . 10 1 1 A 16 16 GLN CA C 16 58.648 58.837 -0.189 1
1 121 . 10 1 1 A 16 16 GLN CB C 16 28.531 28.548 -0.017 1
1 123 . 10 1 1 A 16 16 GLN N N 16 119.695 119.963 -0.268 1
1 125 . 10 1 1 A 17 17 ALA H H 17 7.946 7.432 0.514 1
1 126 . 10 1 1 A 17 17 ALA HA H 17 4.239 4.010 0.229 1
1 130 . 10 1 1 A 17 17 ALA C C 17 180.910 179.709 1.201 1
1 131 . 10 1 1 A 17 17 ALA CA C 17 55.106 55.072 0.034 1
1 132 . 10 1 1 A 17 17 ALA CB C 17 17.990 18.589 -0.599 1
1 133 . 10 1 1 A 17 17 ALA N N 17 120.227 122.426 -2.199 1
1 134 . 10 1 1 A 18 18 LEU H H 18 7.682 8.498 -0.816 1
1 135 . 10 1 1 A 18 18 LEU HA H 18 4.187 3.900 0.287 1
1 145 . 10 1 1 A 18 18 LEU C C 18 178.977 179.115 -0.138 1
1 146 . 10 1 1 A 18 18 LEU CA C 18 57.890 58.013 -0.123 1
1 147 . 10 1 1 A 18 18 LEU CB C 18 43.361 41.860 1.501 1
1 151 . 10 1 1 A 18 18 LEU N N 18 119.764 118.305 1.459 1
1 152 . 10 1 1 A 19 19 MET H H 19 8.699 8.589 0.110 1
1 153 . 10 1 1 A 19 19 MET HA H 19 3.965 4.026 -0.061 1
1 161 . 10 1 1 A 19 19 MET C C 19 179.207 178.284 0.923 1
1 162 . 10 1 1 A 19 19 MET CA C 19 59.794 58.871 0.923 1
1 163 . 10 1 1 A 19 19 MET CB C 19 32.445 32.411 0.034 1
1 166 . 10 1 1 A 19 19 MET N N 19 119.982 116.706 3.276 1
1 167 . 10 1 1 A 20 20 ASP H H 20 8.435 8.247 0.188 1
1 168 . 10 1 1 A 20 20 ASP HA H 20 4.453 4.320 0.133 1
1 171 . 10 1 1 A 20 20 ASP C C 20 179.127 178.255 0.872 1
1 172 . 10 1 1 A 20 20 ASP CA C 20 57.449 57.511 -0.062 1
1 173 . 10 1 1 A 20 20 ASP CB C 20 39.986 41.304 -1.318 1
1 174 . 10 1 1 A 20 20 ASP N N 20 120.434 120.710 -0.276 1
1 175 . 10 1 1 A 21 21 GLU H H 21 8.150 7.837 0.313 1
1 176 . 10 1 1 A 21 21 GLU HA H 21 4.168 4.069 0.099 1
1 181 . 10 1 1 A 21 21 GLU C C 21 179.405 179.442 -0.037 1
1 182 . 10 1 1 A 21 21 GLU CA C 21 59.477 59.404 0.073 1
1 183 . 10 1 1 A 21 21 GLU CB C 21 29.441 29.569 -0.128 1
1 185 . 10 1 1 A 21 21 GLU N N 21 122.159 119.084 3.075 1
1 186 . 10 1 1 A 22 22 VAL H H 22 8.754 8.075 0.679 1
1 187 . 10 1 1 A 22 22 VAL HA H 22 3.484 3.623 -0.139 1
1 195 . 10 1 1 A 22 22 VAL C C 22 179.177 178.741 0.436 1
1 196 . 10 1 1 A 22 22 VAL CA C 22 67.545 66.538 1.007 1
1 197 . 10 1 1 A 22 22 VAL CB C 22 31.712 31.799 -0.087 1
1 200 . 10 1 1 A 22 22 VAL N N 22 121.967 120.739 1.228 1
1 201 . 10 1 1 A 23 23 THR H H 23 8.410 7.913 0.497 1
1 202 . 10 1 1 A 23 23 THR HA H 23 3.888 3.801 0.087 1
1 207 . 10 1 1 A 23 23 THR C C 23 176.515 176.307 0.208 1
1 208 . 10 1 1 A 23 23 THR CA C 23 66.706 67.028 -0.322 1
1 209 . 10 1 1 A 23 23 THR CB C 23 68.646 68.643 0.003 1
1 211 . 10 1 1 A 23 23 THR N N 23 119.619 116.466 3.153 1
1 212 . 10 1 1 A 24 24 LYS H H 24 8.179 8.574 -0.395 1
1 213 . 10 1 1 A 24 24 LYS HA H 24 4.055 3.889 0.166 1
1 219 . 10 1 1 A 24 24 LYS C C 24 179.223 178.378 0.845 1
1 220 . 10 1 1 A 24 24 LYS CA C 24 59.865 59.654 0.211 1
1 221 . 10 1 1 A 24 24 LYS CB C 24 32.733 32.229 0.504 1
1 225 . 10 1 1 A 24 24 LYS N N 24 122.464 121.620 0.844 1
1 226 . 10 1 1 A 25 25 GLN H H 25 8.791 8.321 0.470 1
1 227 . 10 1 1 A 25 25 GLN HA H 25 4.266 3.981 0.285 1
1 234 . 10 1 1 A 25 25 GLN C C 25 178.359 178.721 -0.362 1
1 235 . 10 1 1 A 25 25 GLN CA C 25 57.273 59.542 -2.269 1
1 236 . 10 1 1 A 25 25 GLN CB C 25 26.830 28.367 -1.537 1
1 238 . 10 1 1 A 25 25 GLN N N 25 120.181 118.620 1.561 1
1 240 . 10 1 1 A 26 26 GLY H H 26 8.828 8.162 0.666 1
1 241 . 10 1 1 A 26 26 GLY HA2 H 26 4.099 3.766 0.333 1
1 242 . 10 1 1 A 26 26 GLY HA3 H 26 3.788 3.766 0.022 1
1 243 . 10 1 1 A 26 26 GLY C C 26 176.618 176.569 0.049 1
1 244 . 10 1 1 A 26 26 GLY CA C 26 47.161 47.309 -0.148 1
1 245 . 10 1 1 A 26 26 GLY N N 26 108.597 107.405 1.192 1
1 246 . 10 1 1 A 27 27 ASN H H 27 7.910 7.777 0.133 1
1 247 . 10 1 1 A 27 27 ASN HA H 27 4.582 4.438 0.144 1
1 252 . 10 1 1 A 27 27 ASN C C 27 177.317 178.074 -0.757 1
1 253 . 10 1 1 A 27 27 ASN CA C 27 56.074 55.527 0.547 1
1 254 . 10 1 1 A 27 27 ASN CB C 27 37.729 38.357 -0.628 1
1 255 . 10 1 1 A 27 27 ASN N N 27 121.818 120.184 1.634 1
1 257 . 10 1 1 A 28 28 ILE H H 28 7.811 7.828 -0.017 1
1 258 . 10 1 1 A 28 28 ILE HA H 28 3.789 3.730 0.059 1
1 268 . 10 1 1 A 28 28 ILE C C 28 178.445 178.409 0.036 1
1 269 . 10 1 1 A 28 28 ILE CA C 28 65.117 65.187 -0.070 1
1 270 . 10 1 1 A 28 28 ILE CB C 28 37.914 37.480 0.434 1
1 274 . 10 1 1 A 28 28 ILE N N 28 123.083 120.454 2.629 1
1 275 . 10 1 1 A 29 29 VAL H H 29 8.018 7.931 0.087 1
1 276 . 10 1 1 A 29 29 VAL HA H 29 3.399 3.652 -0.253 1
1 284 . 10 1 1 A 29 29 VAL C C 29 176.953 178.029 -1.076 1
1 285 . 10 1 1 A 29 29 VAL CA C 29 67.541 66.808 0.733 1
1 286 . 10 1 1 A 29 29 VAL CB C 29 32.013 31.450 0.563 1
1 289 . 10 1 1 A 29 29 VAL N N 29 119.117 120.640 -1.523 1
1 290 . 10 1 1 A 30 30 ARG H H 30 7.965 7.744 0.221 1
1 291 . 10 1 1 A 30 30 ARG HA H 30 3.928 3.984 -0.056 1
1 298 . 10 1 1 A 30 30 ARG C C 30 179.609 178.494 1.115 1
1 299 . 10 1 1 A 30 30 ARG CA C 30 60.006 59.967 0.039 1
1 300 . 10 1 1 A 30 30 ARG CB C 30 30.302 29.615 0.687 1
1 303 . 10 1 1 A 30 30 ARG N N 30 118.510 119.722 -1.212 1
1 304 . 10 1 1 A 31 31 GLU H H 31 8.211 8.361 -0.150 1
1 305 . 10 1 1 A 31 31 GLU HA H 31 4.167 4.100 0.067 1
1 310 . 10 1 1 A 31 31 GLU C C 31 178.910 178.971 -0.061 1
1 311 . 10 1 1 A 31 31 GLU CA C 31 59.195 59.077 0.118 1
1 312 . 10 1 1 A 31 31 GLU CB C 31 29.437 29.195 0.242 1
1 314 . 10 1 1 A 31 31 GLU N N 31 120.110 117.493 2.617 1
1 315 . 10 1 1 A 32 32 LEU H H 32 8.287 8.358 -0.071 1
1 316 . 10 1 1 A 32 32 LEU HA H 32 4.021 3.920 0.101 1
1 326 . 10 1 1 A 32 32 LEU C C 32 179.931 179.413 0.518 1
1 327 . 10 1 1 A 32 32 LEU CA C 32 57.979 57.826 0.153 1
1 328 . 10 1 1 A 32 32 LEU CB C 32 42.524 41.493 1.031 1
1 332 . 10 1 1 A 32 32 LEU N N 32 120.148 121.500 -1.352 1
1 333 . 10 1 1 A 33 33 LYS H H 33 8.205 7.977 0.228 1
1 334 . 10 1 1 A 33 33 LYS HA H 33 4.048 4.063 -0.015 1
1 343 . 10 1 1 A 33 33 LYS C C 33 180.739 179.506 1.233 1
1 344 . 10 1 1 A 33 33 LYS CA C 33 59.883 59.666 0.217 1
1 345 . 10 1 1 A 33 33 LYS CB C 33 32.569 32.223 0.346 1
1 349 . 10 1 1 A 33 33 LYS N N 33 117.234 117.791 -0.557 1
1 350 . 10 1 1 A 34 34 ALA H H 34 8.101 8.005 0.096 1
1 351 . 10 1 1 A 34 34 ALA HA H 34 4.185 4.085 0.100 1
1 355 . 10 1 1 A 34 34 ALA C C 34 179.304 179.082 0.222 1
1 356 . 10 1 1 A 34 34 ALA CA C 34 54.734 54.682 0.052 1
1 357 . 10 1 1 A 34 34 ALA CB C 34 18.190 18.525 -0.335 1
1 358 . 10 1 1 A 34 34 ALA N N 34 123.540 121.683 1.857 1
1 359 . 10 1 1 A 35 35 GLN H H 35 7.815 7.442 0.373 1
1 360 . 10 1 1 A 35 35 GLN HA H 35 4.299 4.438 -0.139 1
1 367 . 10 1 1 A 35 35 GLN C C 35 175.344 174.508 0.836 1
1 368 . 10 1 1 A 35 35 GLN CA C 35 55.342 55.378 -0.036 1
1 369 . 10 1 1 A 35 35 GLN CB C 35 28.819 28.497 0.322 1
1 371 . 10 1 1 A 35 35 GLN N N 35 115.126 114.336 0.790 1
1 373 . 10 1 1 A 36 36 LYS H H 36 7.948 7.816 0.132 1
1 374 . 10 1 1 A 36 36 LYS HA H 36 3.963 3.788 0.175 1
1 382 . 10 1 1 A 36 36 LYS C C 36 175.883 175.770 0.113 1
1 383 . 10 1 1 A 36 36 LYS CA C 36 56.872 57.201 -0.329 1
1 384 . 10 1 1 A 36 36 LYS CB C 36 28.917 29.728 -0.811 1
1 388 . 10 1 1 A 36 36 LYS N N 36 117.310 115.671 1.639 1
1 389 . 10 1 1 A 37 37 ALA H H 37 7.646 7.528 0.118 1
1 390 . 10 1 1 A 37 37 ALA HA H 37 4.226 4.299 -0.073 1
1 394 . 10 1 1 A 37 37 ALA C C 37 176.094 176.400 -0.306 1
1 395 . 10 1 1 A 37 37 ALA CA C 37 52.143 52.465 -0.322 1
1 396 . 10 1 1 A 37 37 ALA CB C 37 20.742 19.523 1.219 1
1 397 . 10 1 1 A 37 37 ALA N N 37 120.112 119.221 0.891 1
1 398 . 10 1 1 A 38 38 ASP H H 38 8.474 8.544 -0.070 1
1 399 . 10 1 1 A 38 38 ASP HA H 38 4.387 4.439 -0.052 1
1 402 . 10 1 1 A 38 38 ASP C C 38 177.481 177.447 0.034 1
1 403 . 10 1 1 A 38 38 ASP CA C 38 54.992 54.548 0.444 1
1 404 . 10 1 1 A 38 38 ASP CB C 38 43.156 43.398 -0.242 1
1 405 . 10 1 1 A 38 38 ASP N N 38 119.141 121.835 -2.694 1
1 406 . 10 1 1 A 39 39 LYS H H 39 8.703 9.013 -0.310 1
1 407 . 10 1 1 A 39 39 LYS HA H 39 3.967 3.841 0.126 1
1 414 . 10 1 1 A 39 39 LYS C C 39 178.806 178.390 0.416 1
1 415 . 10 1 1 A 39 39 LYS CA C 39 59.547 60.674 -1.127 1
1 416 . 10 1 1 A 39 39 LYS CB C 39 32.222 32.188 0.034 1
1 420 . 10 1 1 A 39 39 LYS N N 39 124.290 127.797 -3.507 1
1 421 . 10 1 1 A 40 40 ASN H H 40 8.873 7.816 1.057 1
1 422 . 10 1 1 A 40 40 ASN HA H 40 4.571 4.428 0.143 1
1 427 . 10 1 1 A 40 40 ASN C C 40 178.014 178.414 -0.400 1
1 428 . 10 1 1 A 40 40 ASN CA C 40 56.091 56.553 -0.462 1
1 429 . 10 1 1 A 40 40 ASN CB C 40 37.900 37.663 0.237 1
1 430 . 10 1 1 A 40 40 ASN N N 40 119.722 118.193 1.529 1
1 432 . 10 1 1 A 41 41 GLU H H 41 7.881 8.021 -0.140 1
1 433 . 10 1 1 A 41 41 GLU HA H 41 4.192 4.061 0.131 1
1 438 . 10 1 1 A 41 41 GLU C C 41 178.917 179.621 -0.704 1
1 439 . 10 1 1 A 41 41 GLU CA C 41 59.213 59.277 -0.064 1
1 440 . 10 1 1 A 41 41 GLU CB C 41 29.520 29.795 -0.275 1
1 442 . 10 1 1 A 41 41 GLU N N 41 124.025 119.958 4.067 1
1 443 . 10 1 1 A 42 42 VAL H H 42 8.061 8.085 -0.024 1
1 444 . 10 1 1 A 42 42 VAL HA H 42 3.397 3.595 -0.198 1
1 452 . 10 1 1 A 42 42 VAL C C 42 177.701 177.954 -0.253 1
1 453 . 10 1 1 A 42 42 VAL CA C 42 67.341 66.471 0.870 1
1 454 . 10 1 1 A 42 42 VAL CB C 42 32.075 31.910 0.165 1
1 457 . 10 1 1 A 42 42 VAL N N 42 117.921 121.097 -3.176 1
1 458 . 10 1 1 A 43 43 ALA H H 43 8.136 8.748 -0.612 1
1 459 . 10 1 1 A 43 43 ALA HA H 43 4.101 3.977 0.124 1
1 463 . 10 1 1 A 43 43 ALA C C 43 180.808 179.470 1.338 1
1 464 . 10 1 1 A 43 43 ALA CA C 43 55.404 55.523 -0.119 1
1 465 . 10 1 1 A 43 43 ALA CB C 43 17.722 18.572 -0.850 1
1 466 . 10 1 1 A 43 43 ALA N N 43 119.833 121.980 -2.147 1
1 467 . 10 1 1 A 44 44 ALA H H 44 7.664 7.961 -0.297 1
1 468 . 10 1 1 A 44 44 ALA HA H 44 4.234 4.027 0.207 1
1 472 . 10 1 1 A 44 44 ALA C C 44 180.953 180.129 0.824 1
1 473 . 10 1 1 A 44 44 ALA CA C 44 55.122 55.507 -0.385 1
1 474 . 10 1 1 A 44 44 ALA CB C 44 18.229 18.489 -0.260 1
1 475 . 10 1 1 A 44 44 ALA N N 44 121.026 119.789 1.237 1
1 476 . 10 1 1 A 45 45 GLU H H 45 7.837 7.706 0.131 1
1 477 . 10 1 1 A 45 45 GLU HA H 45 4.447 4.028 0.419 1
1 482 . 10 1 1 A 45 45 GLU C C 45 180.357 179.446 0.911 1
1 483 . 10 1 1 A 45 45 GLU CA C 45 57.467 59.566 -2.099 1
1 484 . 10 1 1 A 45 45 GLU CB C 45 28.255 29.366 -1.111 1
1 486 . 10 1 1 A 45 45 GLU N N 45 118.409 118.269 0.140 1
1 487 . 10 1 1 A 46 46 VAL H H 46 9.024 7.978 1.046 1
1 488 . 10 1 1 A 46 46 VAL HA H 46 3.638 3.582 0.056 1
1 496 . 10 1 1 A 46 46 VAL C C 46 177.712 177.873 -0.161 1
1 497 . 10 1 1 A 46 46 VAL CA C 46 66.961 66.690 0.271 1
1 498 . 10 1 1 A 46 46 VAL CB C 46 31.910 31.508 0.402 1
1 501 . 10 1 1 A 46 46 VAL N N 46 124.975 120.777 4.198 1
1 502 . 10 1 1 A 47 47 ALA H H 47 8.130 8.304 -0.174 1
1 503 . 10 1 1 A 47 47 ALA HA H 47 4.093 4.043 0.050 1
1 507 . 10 1 1 A 47 47 ALA C C 47 180.853 179.275 1.578 1
1 508 . 10 1 1 A 47 47 ALA CA C 47 55.545 55.496 0.049 1
1 509 . 10 1 1 A 47 47 ALA CB C 47 17.683 18.530 -0.847 1
1 510 . 10 1 1 A 47 47 ALA N N 47 122.493 121.694 0.799 1
1 511 . 10 1 1 A 48 48 LYS H H 48 7.442 7.816 -0.374 1
1 512 . 10 1 1 A 48 48 LYS HA H 48 4.183 3.935 0.248 1
1 521 . 10 1 1 A 48 48 LYS C C 48 178.698 178.377 0.321 1
1 522 . 10 1 1 A 48 48 LYS CA C 48 59.389 59.965 -0.576 1
1 523 . 10 1 1 A 48 48 LYS CB C 48 32.610 32.285 0.325 1
1 527 . 10 1 1 A 48 48 LYS N N 48 118.186 118.413 -0.227 1
1 528 . 10 1 1 A 49 49 LEU H H 49 7.822 8.143 -0.321 1
1 529 . 10 1 1 A 49 49 LEU HA H 49 4.012 3.990 0.022 1
1 539 . 10 1 1 A 49 49 LEU C C 49 177.582 178.421 -0.839 1
1 540 . 10 1 1 A 49 49 LEU CA C 49 58.490 58.392 0.098 1
1 541 . 10 1 1 A 49 49 LEU CB C 49 42.119 41.652 0.467 1
1 545 . 10 1 1 A 49 49 LEU N N 49 120.499 120.655 -0.156 1
1 546 . 10 1 1 A 50 50 LEU H H 50 8.565 8.270 0.295 1
1 547 . 10 1 1 A 50 50 LEU HA H 50 3.994 3.892 0.102 1
1 557 . 10 1 1 A 50 50 LEU C C 50 180.128 179.041 1.087 1
1 558 . 10 1 1 A 50 50 LEU CA C 50 58.330 58.078 0.252 1
1 559 . 10 1 1 A 50 50 LEU CB C 50 41.060 41.403 -0.343 1
1 563 . 10 1 1 A 50 50 LEU N N 50 118.622 119.300 -0.678 1
1 564 . 10 1 1 A 51 51 ASP H H 51 7.962 7.787 0.175 1
1 565 . 10 1 1 A 51 51 ASP HA H 51 4.480 4.371 0.109 1
1 568 . 10 1 1 A 51 51 ASP C C 51 178.808 178.751 0.057 1
1 569 . 10 1 1 A 51 51 ASP CA C 51 57.802 56.865 0.937 1
1 570 . 10 1 1 A 51 51 ASP CB C 51 41.435 40.955 0.480 1
1 571 . 10 1 1 A 51 51 ASP N N 51 120.483 119.254 1.229 1
1 572 . 10 1 1 A 52 52 LEU H H 52 8.228 8.371 -0.143 1
1 573 . 10 1 1 A 52 52 LEU HA H 52 4.006 3.887 0.119 1
1 583 . 10 1 1 A 52 52 LEU C C 52 179.173 179.393 -0.220 1
1 584 . 10 1 1 A 52 52 LEU CA C 52 58.190 58.028 0.162 1
1 585 . 10 1 1 A 52 52 LEU CB C 52 43.222 41.356 1.866 1
1 589 . 10 1 1 A 52 52 LEU N N 52 121.105 119.709 1.396 1
1 590 . 10 1 1 A 53 53 LYS H H 53 8.531 8.188 0.343 1
1 591 . 10 1 1 A 53 53 LYS HA H 53 3.872 3.888 -0.016 1
1 600 . 10 1 1 A 53 53 LYS C C 53 179.984 179.419 0.565 1
1 601 . 10 1 1 A 53 53 LYS CA C 53 60.699 60.414 0.285 1
1 602 . 10 1 1 A 53 53 LYS CB C 53 32.239 32.511 -0.272 1
1 606 . 10 1 1 A 53 53 LYS N N 53 118.013 117.010 1.003 1
1 607 . 10 1 1 A 54 54 LYS H H 54 8.090 8.390 -0.300 1
1 608 . 10 1 1 A 54 54 LYS HA H 54 4.165 4.073 0.092 1
1 616 . 10 1 1 A 54 54 LYS C C 54 178.638 178.713 -0.075 1
1 617 . 10 1 1 A 54 54 LYS CA C 54 59.847 59.202 0.645 1
1 618 . 10 1 1 A 54 54 LYS CB C 54 32.116 32.122 -0.006 1
1 622 . 10 1 1 A 54 54 LYS N N 54 122.616 119.007 3.609 1
1 623 . 10 1 1 A 55 55 GLN H H 55 8.214 7.923 0.291 1
1 624 . 10 1 1 A 55 55 GLN HA H 55 3.976 4.060 -0.084 1
1 631 . 10 1 1 A 55 55 GLN C C 55 179.696 178.249 1.447 1
1 632 . 10 1 1 A 55 55 GLN CA C 55 59.177 58.441 0.736 1
1 633 . 10 1 1 A 55 55 GLN CB C 55 29.400 28.393 1.007 1
1 635 . 10 1 1 A 55 55 GLN N N 55 119.132 119.200 -0.068 1
1 637 . 10 1 1 A 56 56 LEU H H 56 8.506 7.745 0.761 1
1 638 . 10 1 1 A 56 56 LEU HA H 56 4.116 4.137 -0.021 1
1 648 . 10 1 1 A 56 56 LEU C C 56 176.782 178.166 -1.384 1
1 649 . 10 1 1 A 56 56 LEU CA C 56 57.925 57.960 -0.035 1
1 650 . 10 1 1 A 56 56 LEU CB C 56 41.465 42.047 -0.582 1
1 654 . 10 1 1 A 56 56 LEU N N 56 122.033 121.787 0.246 1
1 655 . 10 1 1 A 57 57 ALA H H 57 7.896 8.026 -0.130 1
1 656 . 10 1 1 A 57 57 ALA HA H 57 4.232 4.031 0.201 1
1 660 . 10 1 1 A 57 57 ALA C C 57 180.928 179.585 1.343 1
1 661 . 10 1 1 A 57 57 ALA CA C 57 55.246 55.392 -0.146 1
1 662 . 10 1 1 A 57 57 ALA CB C 57 17.776 18.520 -0.744 1
1 663 . 10 1 1 A 57 57 ALA N N 57 121.379 120.790 0.589 1
1 664 . 10 1 1 A 58 58 VAL H H 58 7.973 8.325 -0.352 1
1 665 . 10 1 1 A 58 58 VAL HA H 58 3.761 3.742 0.019 1
1 673 . 10 1 1 A 58 58 VAL C C 58 179.410 177.756 1.654 1
1 674 . 10 1 1 A 58 58 VAL CA C 58 65.807 65.125 0.682 1
1 675 . 10 1 1 A 58 58 VAL CB C 58 31.978 31.440 0.538 1
1 678 . 10 1 1 A 58 58 VAL N N 58 117.592 117.473 0.119 1
1 679 . 10 1 1 A 59 59 ALA H H 59 8.024 7.908 0.116 1
1 680 . 10 1 1 A 59 59 ALA HA H 59 4.133 3.940 0.193 1
1 684 . 10 1 1 A 59 59 ALA C C 59 179.359 180.036 -0.677 1
1 685 . 10 1 1 A 59 59 ALA CA C 59 54.805 55.789 -0.984 1
1 686 . 10 1 1 A 59 59 ALA CB C 59 18.513 18.507 0.006 1
1 687 . 10 1 1 A 59 59 ALA N N 59 124.023 123.234 0.789 1
1 688 . 10 1 1 A 60 60 GLU H H 60 8.334 7.733 0.601 1
1 689 . 10 1 1 A 60 60 GLU HA H 60 4.143 4.267 -0.124 1
1 694 . 10 1 1 A 60 60 GLU C C 60 177.391 176.584 0.807 1
1 695 . 10 1 1 A 60 60 GLU CA C 60 57.915 57.050 0.865 1
1 696 . 10 1 1 A 60 60 GLU CB C 60 30.962 30.064 0.898 1
1 698 . 10 1 1 A 60 60 GLU N N 60 115.335 115.975 -0.640 1
1 699 . 10 1 1 A 61 61 GLY H H 61 7.845 7.861 -0.016 1
1 700 . 10 1 1 A 61 61 GLY HA2 H 61 3.958 4.031 -0.073 1
1 701 . 10 1 1 A 61 61 GLY HA3 H 61 3.958 4.031 -0.073 1
1 702 . 10 1 1 A 61 61 GLY C C 61 174.090 174.688 -0.598 1
1 703 . 10 1 1 A 61 61 GLY CA C 61 45.654 45.218 0.436 1
1 704 . 10 1 1 A 61 61 GLY N N 61 107.486 106.374 1.112 1
1 705 . 10 1 1 A 62 62 LYS H H 62 8.068 7.294 0.774 1
1 706 . 10 1 1 A 62 62 LYS HA H 62 4.612 4.377 0.235 1
1 715 . 10 1 1 A 62 62 LYS C C 62 174.023 174.407 -0.384 1
1 716 . 10 1 1 A 62 62 LYS CA C 62 54.147 54.481 -0.334 1
1 717 . 10 1 1 A 62 62 LYS CB C 62 32.651 32.240 0.411 1
1 721 . 10 1 1 A 62 62 LYS N N 62 121.672 121.142 0.530 1
1 722 . 10 1 1 A 63 63 PRO HA H 63 4.692 4.644 0.048 1
1 729 . 10 1 1 A 63 63 PRO CA C 63 61.351 61.655 -0.304 1
1 730 . 10 1 1 A 63 63 PRO CB C 63 30.892 31.615 -0.723 1
1 733 . 10 1 1 A 64 64 PRO HA H 64 4.408 4.580 -0.172 1
1 740 . 10 1 1 A 64 64 PRO C C 64 176.775 176.991 -0.216 1
1 741 . 10 1 1 A 64 64 PRO CA C 64 62.926 62.309 0.617 1
1 742 . 10 1 1 A 64 64 PRO CB C 64 32.074 33.287 -1.213 1
1 745 . 10 1 1 A 65 65 GLU H H 65 8.396 8.743 -0.347 1
1 746 . 10 1 1 A 65 65 GLU HA H 65 4.243 3.970 0.273 1
1 751 . 10 1 1 A 65 65 GLU C C 65 175.888 176.493 -0.605 1
1 752 . 10 1 1 A 65 65 GLU CA C 65 56.083 60.101 -4.018 1
1 753 . 10 1 1 A 65 65 GLU CB C 65 30.722 29.208 1.514 1
1 755 . 10 1 1 A 65 65 GLU N N 65 121.093 121.347 -0.254 1
1 756 . 10 1 1 A 66 66 ALA H H 66 8.434 7.829 0.605 1
1 757 . 10 1 1 A 66 66 ALA HA H 66 4.583 4.088 0.495 1
1 761 . 10 1 1 A 66 66 ALA C C 66 175.504 178.043 -2.539 1
1 762 . 10 1 1 A 66 66 ALA CA C 66 50.482 52.911 -2.429 1
1 763 . 10 1 1 A 66 66 ALA CB C 66 18.108 17.331 0.777 1
1 764 . 10 1 1 A 66 66 ALA N N 66 127.348 120.466 6.882 1
1 765 . 10 1 1 A 67 67 PRO HA H 67 4.408 4.480 -0.072 1
1 772 . 10 1 1 A 67 67 PRO C C 67 177.111 176.583 0.528 1
1 773 . 10 1 1 A 67 67 PRO CA C 67 63.056 64.856 -1.800 1
1 774 . 10 1 1 A 67 67 PRO CB C 67 32.074 32.008 0.066 1
1 777 . 10 1 1 A 68 68 LYS H H 68 8.479 7.567 0.912 1
1 778 . 10 1 1 A 68 68 LYS HA H 68 4.291 4.549 -0.258 1
1 787 . 10 1 1 A 68 68 LYS C C 68 177.292 174.784 2.508 1
1 788 . 10 1 1 A 68 68 LYS CA C 68 56.322 55.880 0.442 1
1 789 . 10 1 1 A 68 68 LYS CB C 68 33.146 35.817 -2.671 1
1 793 . 10 1 1 A 68 68 LYS N N 68 121.836 116.859 4.977 1
1 794 . 10 1 1 A 69 69 GLY H H 69 8.387 8.748 -0.361 1
1 795 . 10 1 1 A 69 69 GLY HA2 H 69 3.948 3.946 0.002 1
1 796 . 10 1 1 A 69 69 GLY HA3 H 69 3.948 3.946 0.002 1
1 797 . 10 1 1 A 69 69 GLY C C 69 173.940 173.038 0.902 1
1 798 . 10 1 1 A 69 69 GLY CA C 69 45.160 46.577 -1.417 1
1 799 . 10 1 1 A 69 69 GLY N N 69 109.796 114.417 -4.621 1
1 800 . 10 1 1 A 70 70 LYS H H 70 8.196 8.644 -0.448 1
1 801 . 10 1 1 A 70 70 LYS HA H 70 4.318 4.999 -0.681 1
1 810 . 10 1 1 A 70 70 LYS C C 70 176.642 175.539 1.103 1
1 811 . 10 1 1 A 70 70 LYS CA C 70 56.127 54.275 1.852 1
1 812 . 10 1 1 A 70 70 LYS CB C 70 33.272 35.949 -2.677 1
1 816 . 10 1 1 A 70 70 LYS N N 70 121.044 125.273 -4.229 1
1 817 . 10 1 1 A 71 71 LYS H H 71 8.348 8.390 -0.042 1
1 818 . 10 1 1 A 71 71 LYS HA H 71 4.273 4.112 0.161 1
1 827 . 10 1 1 A 71 71 LYS C C 71 176.548 176.666 -0.118 1
1 828 . 10 1 1 A 71 71 LYS CA C 71 56.285 56.568 -0.283 1
1 829 . 10 1 1 A 71 71 LYS CB C 71 33.270 32.412 0.858 1
1 833 . 10 1 1 A 71 71 LYS N N 71 123.152 123.857 -0.705 1
1 834 . 10 1 1 A 72 72 LYS H H 72 8.405 8.646 -0.241 1
1 835 . 10 1 1 A 72 72 LYS HA H 72 4.273 4.946 -0.673 1
1 836 . 10 1 1 A 72 72 LYS C C 72 176.499 175.396 1.103 1
1 837 . 10 1 1 A 72 72 LYS CA C 72 56.356 54.906 1.450 1
1 838 . 10 1 1 A 72 72 LYS CB C 72 33.146 35.882 -2.736 1
1 1 . 11 1 1 A 7 7 GLY HA2 H 7 4.042 4.178 -0.136 1
1 2 . 11 1 1 A 7 7 GLY HA3 H 7 4.042 4.178 -0.136 1
1 3 . 11 1 1 A 7 7 GLY C C 7 174.377 173.119 1.258 1
1 4 . 11 1 1 A 7 7 GLY CA C 7 45.425 44.932 0.493 1
1 5 . 11 1 1 A 8 8 THR H H 8 8.131 8.422 -0.291 1
1 6 . 11 1 1 A 8 8 THR HA H 8 4.448 4.327 0.121 1
1 11 . 11 1 1 A 8 8 THR C C 8 174.773 173.899 0.874 1
1 12 . 11 1 1 A 8 8 THR CA C 8 61.787 62.328 -0.541 1
1 13 . 11 1 1 A 8 8 THR CB C 8 69.913 69.599 0.314 1
1 15 . 11 1 1 A 8 8 THR N N 8 113.630 118.359 -4.729 1
1 16 . 11 1 1 A 9 9 THR H H 9 8.180 8.486 -0.306 1
1 17 . 11 1 1 A 9 9 THR HA H 9 4.355 4.523 -0.168 1
1 22 . 11 1 1 A 9 9 THR C C 9 174.203 174.351 -0.148 1
1 23 . 11 1 1 A 9 9 THR CA C 9 61.892 61.616 0.276 1
1 24 . 11 1 1 A 9 9 THR CB C 9 69.891 69.305 0.586 1
1 26 . 11 1 1 A 9 9 THR N N 9 116.604 119.047 -2.443 1
1 27 . 11 1 1 A 10 10 ALA H H 10 8.405 8.316 0.089 1
1 28 . 11 1 1 A 10 10 ALA HA H 10 4.376 4.747 -0.371 1
1 32 . 11 1 1 A 10 10 ALA C C 10 177.430 177.606 -0.176 1
1 33 . 11 1 1 A 10 10 ALA CA C 10 52.317 51.505 0.812 1
1 34 . 11 1 1 A 10 10 ALA CB C 10 19.506 22.377 -2.871 1
1 35 . 11 1 1 A 10 10 ALA N N 10 126.934 126.245 0.689 1
1 36 . 11 1 1 A 11 11 LYS H H 11 8.462 8.696 -0.234 1
1 37 . 11 1 1 A 11 11 LYS HA H 11 4.575 3.932 0.643 1
1 46 . 11 1 1 A 11 11 LYS C C 11 174.921 175.740 -0.819 1
1 47 . 11 1 1 A 11 11 LYS CA C 11 55.122 61.291 -6.169 1
1 48 . 11 1 1 A 11 11 LYS CB C 11 31.910 30.962 0.948 1
1 52 . 11 1 1 A 11 11 LYS N N 11 121.526 120.429 1.097 1
1 53 . 11 1 1 A 12 12 PRO HA H 12 4.363 4.420 -0.057 1
1 60 . 11 1 1 A 12 12 PRO C C 12 178.290 178.757 -0.467 1
1 61 . 11 1 1 A 12 12 PRO CA C 12 64.502 64.830 -0.328 1
1 62 . 11 1 1 A 12 12 PRO CB C 12 31.992 31.418 0.574 1
1 65 . 11 1 1 A 13 13 GLN H H 13 8.665 8.135 0.530 1
1 66 . 11 1 1 A 13 13 GLN HA H 13 4.158 4.167 -0.009 1
1 73 . 11 1 1 A 13 13 GLN C C 13 177.727 177.887 -0.160 1
1 74 . 11 1 1 A 13 13 GLN CA C 13 58.366 58.692 -0.326 1
1 75 . 11 1 1 A 13 13 GLN CB C 13 28.584 29.112 -0.528 1
1 77 . 11 1 1 A 13 13 GLN N N 13 119.964 117.706 2.258 1
1 79 . 11 1 1 A 14 14 GLN H H 14 8.376 8.319 0.057 1
1 80 . 11 1 1 A 14 14 GLN HA H 14 4.217 4.121 0.096 1
1 87 . 11 1 1 A 14 14 GLN C C 14 178.304 177.981 0.323 1
1 88 . 11 1 1 A 14 14 GLN CA C 14 58.190 58.118 0.072 1
1 89 . 11 1 1 A 14 14 GLN CB C 14 28.639 27.964 0.675 1
1 91 . 11 1 1 A 14 14 GLN N N 14 120.039 117.283 2.756 1
1 93 . 11 1 1 A 15 15 ILE H H 15 7.802 8.011 -0.209 1
1 94 . 11 1 1 A 15 15 ILE HA H 15 3.654 3.632 0.022 1
1 104 . 11 1 1 A 15 15 ILE C C 15 177.183 177.989 -0.806 1
1 105 . 11 1 1 A 15 15 ILE CA C 15 64.643 64.963 -0.320 1
1 106 . 11 1 1 A 15 15 ILE CB C 15 37.828 37.749 0.079 1
1 110 . 11 1 1 A 15 15 ILE N N 15 119.981 121.716 -1.735 1
1 111 . 11 1 1 A 16 16 GLN H H 16 8.159 8.085 0.074 1
1 112 . 11 1 1 A 16 16 GLN HA H 16 3.958 3.959 -0.001 1
1 119 . 11 1 1 A 16 16 GLN C C 16 177.647 177.806 -0.159 1
1 120 . 11 1 1 A 16 16 GLN CA C 16 58.648 58.993 -0.345 1
1 121 . 11 1 1 A 16 16 GLN CB C 16 28.531 28.359 0.172 1
1 123 . 11 1 1 A 16 16 GLN N N 16 119.695 119.870 -0.175 1
1 125 . 11 1 1 A 17 17 ALA H H 17 7.946 8.003 -0.057 1
1 126 . 11 1 1 A 17 17 ALA HA H 17 4.239 4.080 0.159 1
1 130 . 11 1 1 A 17 17 ALA C C 17 180.910 180.049 0.861 1
1 131 . 11 1 1 A 17 17 ALA CA C 17 55.106 54.575 0.531 1
1 132 . 11 1 1 A 17 17 ALA CB C 17 17.990 18.460 -0.470 1
1 133 . 11 1 1 A 17 17 ALA N N 17 120.227 121.777 -1.550 1
1 134 . 11 1 1 A 18 18 LEU H H 18 7.682 8.319 -0.637 1
1 135 . 11 1 1 A 18 18 LEU HA H 18 4.187 3.866 0.321 1
1 145 . 11 1 1 A 18 18 LEU C C 18 178.977 179.190 -0.213 1
1 146 . 11 1 1 A 18 18 LEU CA C 18 57.890 58.051 -0.161 1
1 147 . 11 1 1 A 18 18 LEU CB C 18 43.361 42.118 1.243 1
1 151 . 11 1 1 A 18 18 LEU N N 18 119.764 120.333 -0.569 1
1 152 . 11 1 1 A 19 19 MET H H 19 8.699 8.356 0.343 1
1 153 . 11 1 1 A 19 19 MET HA H 19 3.965 4.086 -0.121 1
1 161 . 11 1 1 A 19 19 MET C C 19 179.207 178.636 0.571 1
1 162 . 11 1 1 A 19 19 MET CA C 19 59.794 58.720 1.074 1
1 163 . 11 1 1 A 19 19 MET CB C 19 32.445 32.367 0.078 1
1 166 . 11 1 1 A 19 19 MET N N 19 119.982 116.333 3.649 1
1 167 . 11 1 1 A 20 20 ASP H H 20 8.435 8.086 0.349 1
1 168 . 11 1 1 A 20 20 ASP HA H 20 4.453 4.313 0.140 1
1 171 . 11 1 1 A 20 20 ASP C C 20 179.127 178.638 0.489 1
1 172 . 11 1 1 A 20 20 ASP CA C 20 57.449 57.456 -0.007 1
1 173 . 11 1 1 A 20 20 ASP CB C 20 39.986 40.292 -0.306 1
1 174 . 11 1 1 A 20 20 ASP N N 20 120.434 119.154 1.280 1
1 175 . 11 1 1 A 21 21 GLU H H 21 8.150 7.957 0.193 1
1 176 . 11 1 1 A 21 21 GLU HA H 21 4.168 4.090 0.078 1
1 181 . 11 1 1 A 21 21 GLU C C 21 179.405 178.846 0.559 1
1 182 . 11 1 1 A 21 21 GLU CA C 21 59.477 59.156 0.321 1
1 183 . 11 1 1 A 21 21 GLU CB C 21 29.441 28.785 0.656 1
1 185 . 11 1 1 A 21 21 GLU N N 21 122.159 117.810 4.349 1
1 186 . 11 1 1 A 22 22 VAL H H 22 8.754 8.061 0.693 1
1 187 . 11 1 1 A 22 22 VAL HA H 22 3.484 3.557 -0.073 1
1 195 . 11 1 1 A 22 22 VAL C C 22 179.177 177.741 1.436 1
1 196 . 11 1 1 A 22 22 VAL CA C 22 67.545 66.650 0.895 1
1 197 . 11 1 1 A 22 22 VAL CB C 22 31.712 31.645 0.067 1
1 200 . 11 1 1 A 22 22 VAL N N 22 121.967 121.465 0.502 1
1 201 . 11 1 1 A 23 23 THR H H 23 8.410 8.276 0.134 1
1 202 . 11 1 1 A 23 23 THR HA H 23 3.888 3.793 0.095 1
1 207 . 11 1 1 A 23 23 THR C C 23 176.515 176.327 0.188 1
1 208 . 11 1 1 A 23 23 THR CA C 23 66.706 66.480 0.226 1
1 209 . 11 1 1 A 23 23 THR CB C 23 68.646 68.486 0.160 1
1 211 . 11 1 1 A 23 23 THR N N 23 119.619 115.629 3.990 1
1 212 . 11 1 1 A 24 24 LYS H H 24 8.179 7.765 0.414 1
1 213 . 11 1 1 A 24 24 LYS HA H 24 4.055 3.882 0.173 1
1 219 . 11 1 1 A 24 24 LYS C C 24 179.223 178.673 0.550 1
1 220 . 11 1 1 A 24 24 LYS CA C 24 59.865 59.776 0.089 1
1 221 . 11 1 1 A 24 24 LYS CB C 24 32.733 32.545 0.188 1
1 225 . 11 1 1 A 24 24 LYS N N 24 122.464 121.173 1.291 1
1 226 . 11 1 1 A 25 25 GLN H H 25 8.791 7.907 0.884 1
1 227 . 11 1 1 A 25 25 GLN HA H 25 4.266 3.980 0.286 1
1 234 . 11 1 1 A 25 25 GLN C C 25 178.359 178.626 -0.267 1
1 235 . 11 1 1 A 25 25 GLN CA C 25 57.273 59.535 -2.262 1
1 236 . 11 1 1 A 25 25 GLN CB C 25 26.830 28.497 -1.667 1
1 238 . 11 1 1 A 25 25 GLN N N 25 120.181 118.451 1.730 1
1 240 . 11 1 1 A 26 26 GLY H H 26 8.828 8.181 0.647 1
1 241 . 11 1 1 A 26 26 GLY HA2 H 26 4.099 3.763 0.336 1
1 242 . 11 1 1 A 26 26 GLY HA3 H 26 3.788 3.763 0.025 1
1 243 . 11 1 1 A 26 26 GLY C C 26 176.618 176.587 0.031 1
1 244 . 11 1 1 A 26 26 GLY CA C 26 47.161 47.391 -0.230 1
1 245 . 11 1 1 A 26 26 GLY N N 26 108.597 107.475 1.122 1
1 246 . 11 1 1 A 27 27 ASN H H 27 7.910 7.796 0.114 1
1 247 . 11 1 1 A 27 27 ASN HA H 27 4.582 4.434 0.148 1
1 252 . 11 1 1 A 27 27 ASN C C 27 177.317 177.915 -0.598 1
1 253 . 11 1 1 A 27 27 ASN CA C 27 56.074 55.687 0.387 1
1 254 . 11 1 1 A 27 27 ASN CB C 27 37.729 38.495 -0.766 1
1 255 . 11 1 1 A 27 27 ASN N N 27 121.818 120.160 1.658 1
1 257 . 11 1 1 A 28 28 ILE H H 28 7.811 8.344 -0.533 1
1 258 . 11 1 1 A 28 28 ILE HA H 28 3.789 3.652 0.137 1
1 268 . 11 1 1 A 28 28 ILE C C 28 178.445 178.740 -0.295 1
1 269 . 11 1 1 A 28 28 ILE CA C 28 65.117 65.314 -0.197 1
1 270 . 11 1 1 A 28 28 ILE CB C 28 37.914 37.963 -0.049 1
1 274 . 11 1 1 A 28 28 ILE N N 28 123.083 120.569 2.514 1
1 275 . 11 1 1 A 29 29 VAL H H 29 8.018 8.052 -0.034 1
1 276 . 11 1 1 A 29 29 VAL HA H 29 3.399 3.618 -0.219 1
1 284 . 11 1 1 A 29 29 VAL C C 29 176.953 178.125 -1.172 1
1 285 . 11 1 1 A 29 29 VAL CA C 29 67.541 66.736 0.805 1
1 286 . 11 1 1 A 29 29 VAL CB C 29 32.013 31.449 0.564 1
1 289 . 11 1 1 A 29 29 VAL N N 29 119.117 120.594 -1.477 1
1 290 . 11 1 1 A 30 30 ARG H H 30 7.965 7.697 0.268 1
1 291 . 11 1 1 A 30 30 ARG HA H 30 3.928 3.922 0.006 1
1 298 . 11 1 1 A 30 30 ARG C C 30 179.609 178.496 1.113 1
1 299 . 11 1 1 A 30 30 ARG CA C 30 60.006 59.990 0.016 1
1 300 . 11 1 1 A 30 30 ARG CB C 30 30.302 29.708 0.594 1
1 303 . 11 1 1 A 30 30 ARG N N 30 118.510 119.873 -1.363 1
1 304 . 11 1 1 A 31 31 GLU H H 31 8.211 8.407 -0.196 1
1 305 . 11 1 1 A 31 31 GLU HA H 31 4.167 4.096 0.071 1
1 310 . 11 1 1 A 31 31 GLU C C 31 178.910 179.091 -0.181 1
1 311 . 11 1 1 A 31 31 GLU CA C 31 59.195 59.173 0.022 1
1 312 . 11 1 1 A 31 31 GLU CB C 31 29.437 29.105 0.332 1
1 314 . 11 1 1 A 31 31 GLU N N 31 120.110 117.685 2.425 1
1 315 . 11 1 1 A 32 32 LEU H H 32 8.287 8.419 -0.132 1
1 316 . 11 1 1 A 32 32 LEU HA H 32 4.021 3.916 0.105 1
1 326 . 11 1 1 A 32 32 LEU C C 32 179.931 179.391 0.540 1
1 327 . 11 1 1 A 32 32 LEU CA C 32 57.979 57.669 0.310 1
1 328 . 11 1 1 A 32 32 LEU CB C 32 42.524 41.616 0.908 1
1 332 . 11 1 1 A 32 32 LEU N N 32 120.148 121.477 -1.329 1
1 333 . 11 1 1 A 33 33 LYS H H 33 8.205 7.951 0.254 1
1 334 . 11 1 1 A 33 33 LYS HA H 33 4.048 4.119 -0.071 1
1 343 . 11 1 1 A 33 33 LYS C C 33 180.739 179.949 0.790 1
1 344 . 11 1 1 A 33 33 LYS CA C 33 59.883 59.540 0.343 1
1 345 . 11 1 1 A 33 33 LYS CB C 33 32.569 32.203 0.366 1
1 349 . 11 1 1 A 33 33 LYS N N 33 117.234 117.584 -0.350 1
1 350 . 11 1 1 A 34 34 ALA H H 34 8.101 7.751 0.350 1
1 351 . 11 1 1 A 34 34 ALA HA H 34 4.185 4.114 0.071 1
1 355 . 11 1 1 A 34 34 ALA C C 34 179.304 178.721 0.583 1
1 356 . 11 1 1 A 34 34 ALA CA C 34 54.734 54.248 0.486 1
1 357 . 11 1 1 A 34 34 ALA CB C 34 18.190 18.131 0.059 1
1 358 . 11 1 1 A 34 34 ALA N N 34 123.540 121.188 2.352 1
1 359 . 11 1 1 A 35 35 GLN H H 35 7.815 7.464 0.351 1
1 360 . 11 1 1 A 35 35 GLN HA H 35 4.299 4.446 -0.147 1
1 367 . 11 1 1 A 35 35 GLN C C 35 175.344 174.437 0.907 1
1 368 . 11 1 1 A 35 35 GLN CA C 35 55.342 55.321 0.021 1
1 369 . 11 1 1 A 35 35 GLN CB C 35 28.819 28.588 0.231 1
1 371 . 11 1 1 A 35 35 GLN N N 35 115.126 115.263 -0.137 1
1 373 . 11 1 1 A 36 36 LYS H H 36 7.948 7.723 0.225 1
1 374 . 11 1 1 A 36 36 LYS HA H 36 3.963 3.787 0.176 1
1 382 . 11 1 1 A 36 36 LYS C C 36 175.883 175.612 0.271 1
1 383 . 11 1 1 A 36 36 LYS CA C 36 56.872 57.196 -0.324 1
1 384 . 11 1 1 A 36 36 LYS CB C 36 28.917 29.564 -0.647 1
1 388 . 11 1 1 A 36 36 LYS N N 36 117.310 115.732 1.578 1
1 389 . 11 1 1 A 37 37 ALA H H 37 7.646 7.346 0.300 1
1 390 . 11 1 1 A 37 37 ALA HA H 37 4.226 4.239 -0.013 1
1 394 . 11 1 1 A 37 37 ALA C C 37 176.094 176.489 -0.395 1
1 395 . 11 1 1 A 37 37 ALA CA C 37 52.143 52.612 -0.469 1
1 396 . 11 1 1 A 37 37 ALA CB C 37 20.742 19.642 1.100 1
1 397 . 11 1 1 A 37 37 ALA N N 37 120.112 119.677 0.435 1
1 398 . 11 1 1 A 38 38 ASP H H 38 8.474 8.508 -0.034 1
1 399 . 11 1 1 A 38 38 ASP HA H 38 4.387 4.445 -0.058 1
1 402 . 11 1 1 A 38 38 ASP C C 38 177.481 177.516 -0.035 1
1 403 . 11 1 1 A 38 38 ASP CA C 38 54.992 54.474 0.518 1
1 404 . 11 1 1 A 38 38 ASP CB C 38 43.156 42.685 0.471 1
1 405 . 11 1 1 A 38 38 ASP N N 38 119.141 121.216 -2.075 1
1 406 . 11 1 1 A 39 39 LYS H H 39 8.703 9.004 -0.301 1
1 407 . 11 1 1 A 39 39 LYS HA H 39 3.967 3.844 0.123 1
1 414 . 11 1 1 A 39 39 LYS C C 39 178.806 178.289 0.517 1
1 415 . 11 1 1 A 39 39 LYS CA C 39 59.547 60.608 -1.061 1
1 416 . 11 1 1 A 39 39 LYS CB C 39 32.222 32.122 0.100 1
1 420 . 11 1 1 A 39 39 LYS N N 39 124.290 127.040 -2.750 1
1 421 . 11 1 1 A 40 40 ASN H H 40 8.873 7.753 1.120 1
1 422 . 11 1 1 A 40 40 ASN HA H 40 4.571 4.460 0.111 1
1 427 . 11 1 1 A 40 40 ASN C C 40 178.014 177.960 0.054 1
1 428 . 11 1 1 A 40 40 ASN CA C 40 56.091 56.446 -0.355 1
1 429 . 11 1 1 A 40 40 ASN CB C 40 37.900 38.316 -0.416 1
1 430 . 11 1 1 A 40 40 ASN N N 40 119.722 117.982 1.740 1
1 432 . 11 1 1 A 41 41 GLU H H 41 7.881 8.159 -0.278 1
1 433 . 11 1 1 A 41 41 GLU HA H 41 4.192 4.026 0.166 1
1 438 . 11 1 1 A 41 41 GLU C C 41 178.917 179.486 -0.569 1
1 439 . 11 1 1 A 41 41 GLU CA C 41 59.213 59.382 -0.169 1
1 440 . 11 1 1 A 41 41 GLU CB C 41 29.520 29.506 0.014 1
1 442 . 11 1 1 A 41 41 GLU N N 41 124.025 119.587 4.438 1
1 443 . 11 1 1 A 42 42 VAL H H 42 8.061 8.295 -0.234 1
1 444 . 11 1 1 A 42 42 VAL HA H 42 3.397 3.541 -0.144 1
1 452 . 11 1 1 A 42 42 VAL C C 42 177.701 177.945 -0.244 1
1 453 . 11 1 1 A 42 42 VAL CA C 42 67.341 66.555 0.786 1
1 454 . 11 1 1 A 42 42 VAL CB C 42 32.075 31.528 0.547 1
1 457 . 11 1 1 A 42 42 VAL N N 42 117.921 121.410 -3.489 1
1 458 . 11 1 1 A 43 43 ALA H H 43 8.136 8.748 -0.612 1
1 459 . 11 1 1 A 43 43 ALA HA H 43 4.101 3.945 0.156 1
1 463 . 11 1 1 A 43 43 ALA C C 43 180.808 179.347 1.461 1
1 464 . 11 1 1 A 43 43 ALA CA C 43 55.404 55.607 -0.203 1
1 465 . 11 1 1 A 43 43 ALA CB C 43 17.722 18.556 -0.834 1
1 466 . 11 1 1 A 43 43 ALA N N 43 119.833 121.314 -1.481 1
1 467 . 11 1 1 A 44 44 ALA H H 44 7.664 8.114 -0.450 1
1 468 . 11 1 1 A 44 44 ALA HA H 44 4.234 4.044 0.190 1
1 472 . 11 1 1 A 44 44 ALA C C 44 180.953 180.109 0.844 1
1 473 . 11 1 1 A 44 44 ALA CA C 44 55.122 55.636 -0.514 1
1 474 . 11 1 1 A 44 44 ALA CB C 44 18.229 18.697 -0.468 1
1 475 . 11 1 1 A 44 44 ALA N N 44 121.026 119.325 1.701 1
1 476 . 11 1 1 A 45 45 GLU H H 45 7.837 7.920 -0.083 1
1 477 . 11 1 1 A 45 45 GLU HA H 45 4.447 3.991 0.456 1
1 482 . 11 1 1 A 45 45 GLU C C 45 180.357 179.284 1.073 1
1 483 . 11 1 1 A 45 45 GLU CA C 45 57.467 59.677 -2.210 1
1 484 . 11 1 1 A 45 45 GLU CB C 45 28.255 29.468 -1.213 1
1 486 . 11 1 1 A 45 45 GLU N N 45 118.409 117.751 0.658 1
1 487 . 11 1 1 A 46 46 VAL H H 46 9.024 7.957 1.067 1
1 488 . 11 1 1 A 46 46 VAL HA H 46 3.638 3.550 0.088 1
1 496 . 11 1 1 A 46 46 VAL C C 46 177.712 178.071 -0.359 1
1 497 . 11 1 1 A 46 46 VAL CA C 46 66.961 66.663 0.298 1
1 498 . 11 1 1 A 46 46 VAL CB C 46 31.910 31.537 0.373 1
1 501 . 11 1 1 A 46 46 VAL N N 46 124.975 120.854 4.121 1
1 502 . 11 1 1 A 47 47 ALA H H 47 8.130 8.673 -0.543 1
1 503 . 11 1 1 A 47 47 ALA HA H 47 4.093 4.000 0.093 1
1 507 . 11 1 1 A 47 47 ALA C C 47 180.853 179.125 1.728 1
1 508 . 11 1 1 A 47 47 ALA CA C 47 55.545 55.739 -0.194 1
1 509 . 11 1 1 A 47 47 ALA CB C 47 17.683 18.270 -0.587 1
1 510 . 11 1 1 A 47 47 ALA N N 47 122.493 121.832 0.661 1
1 511 . 11 1 1 A 48 48 LYS H H 48 7.442 7.622 -0.180 1
1 512 . 11 1 1 A 48 48 LYS HA H 48 4.183 3.946 0.237 1
1 521 . 11 1 1 A 48 48 LYS C C 48 178.698 178.247 0.451 1
1 522 . 11 1 1 A 48 48 LYS CA C 48 59.389 59.885 -0.496 1
1 523 . 11 1 1 A 48 48 LYS CB C 48 32.610 32.544 0.066 1
1 527 . 11 1 1 A 48 48 LYS N N 48 118.186 118.484 -0.298 1
1 528 . 11 1 1 A 49 49 LEU H H 49 7.822 8.195 -0.373 1
1 529 . 11 1 1 A 49 49 LEU HA H 49 4.012 3.964 0.048 1
1 539 . 11 1 1 A 49 49 LEU C C 49 177.582 178.485 -0.903 1
1 540 . 11 1 1 A 49 49 LEU CA C 49 58.490 58.361 0.129 1
1 541 . 11 1 1 A 49 49 LEU CB C 49 42.119 41.912 0.207 1
1 545 . 11 1 1 A 49 49 LEU N N 49 120.499 120.317 0.182 1
1 546 . 11 1 1 A 50 50 LEU H H 50 8.565 8.173 0.392 1
1 547 . 11 1 1 A 50 50 LEU HA H 50 3.994 3.902 0.092 1
1 557 . 11 1 1 A 50 50 LEU C C 50 180.128 179.090 1.038 1
1 558 . 11 1 1 A 50 50 LEU CA C 50 58.330 57.888 0.442 1
1 559 . 11 1 1 A 50 50 LEU CB C 50 41.060 41.437 -0.377 1
1 563 . 11 1 1 A 50 50 LEU N N 50 118.622 118.833 -0.211 1
1 564 . 11 1 1 A 51 51 ASP H H 51 7.962 8.252 -0.290 1
1 565 . 11 1 1 A 51 51 ASP HA H 51 4.480 4.408 0.072 1
1 568 . 11 1 1 A 51 51 ASP C C 51 178.808 178.837 -0.029 1
1 569 . 11 1 1 A 51 51 ASP CA C 51 57.802 56.767 1.035 1
1 570 . 11 1 1 A 51 51 ASP CB C 51 41.435 40.938 0.497 1
1 571 . 11 1 1 A 51 51 ASP N N 51 120.483 119.718 0.765 1
1 572 . 11 1 1 A 52 52 LEU H H 52 8.228 8.260 -0.032 1
1 573 . 11 1 1 A 52 52 LEU HA H 52 4.006 3.876 0.130 1
1 583 . 11 1 1 A 52 52 LEU C C 52 179.173 179.519 -0.346 1
1 584 . 11 1 1 A 52 52 LEU CA C 52 58.190 57.963 0.227 1
1 585 . 11 1 1 A 52 52 LEU CB C 52 43.222 41.522 1.700 1
1 589 . 11 1 1 A 52 52 LEU N N 52 121.105 119.802 1.303 1
1 590 . 11 1 1 A 53 53 LYS H H 53 8.531 8.221 0.310 1
1 591 . 11 1 1 A 53 53 LYS HA H 53 3.872 3.831 0.041 1
1 600 . 11 1 1 A 53 53 LYS C C 53 179.984 179.503 0.481 1
1 601 . 11 1 1 A 53 53 LYS CA C 53 60.699 60.364 0.335 1
1 602 . 11 1 1 A 53 53 LYS CB C 53 32.239 32.388 -0.149 1
1 606 . 11 1 1 A 53 53 LYS N N 53 118.013 118.047 -0.034 1
1 607 . 11 1 1 A 54 54 LYS H H 54 8.090 8.223 -0.133 1
1 608 . 11 1 1 A 54 54 LYS HA H 54 4.165 4.066 0.099 1
1 616 . 11 1 1 A 54 54 LYS C C 54 178.638 178.853 -0.215 1
1 617 . 11 1 1 A 54 54 LYS CA C 54 59.847 59.210 0.637 1
1 618 . 11 1 1 A 54 54 LYS CB C 54 32.116 32.055 0.061 1
1 622 . 11 1 1 A 54 54 LYS N N 54 122.616 118.995 3.621 1
1 623 . 11 1 1 A 55 55 GLN H H 55 8.214 7.825 0.389 1
1 624 . 11 1 1 A 55 55 GLN HA H 55 3.976 4.039 -0.063 1
1 631 . 11 1 1 A 55 55 GLN C C 55 179.696 178.423 1.273 1
1 632 . 11 1 1 A 55 55 GLN CA C 55 59.177 58.722 0.455 1
1 633 . 11 1 1 A 55 55 GLN CB C 55 29.400 28.298 1.102 1
1 635 . 11 1 1 A 55 55 GLN N N 55 119.132 119.141 -0.009 1
1 637 . 11 1 1 A 56 56 LEU H H 56 8.506 8.284 0.222 1
1 638 . 11 1 1 A 56 56 LEU HA H 56 4.116 4.017 0.099 1
1 648 . 11 1 1 A 56 56 LEU C C 56 176.782 178.149 -1.367 1
1 649 . 11 1 1 A 56 56 LEU CA C 56 57.925 58.318 -0.393 1
1 650 . 11 1 1 A 56 56 LEU CB C 56 41.465 41.981 -0.516 1
1 654 . 11 1 1 A 56 56 LEU N N 56 122.033 121.776 0.257 1
1 655 . 11 1 1 A 57 57 ALA H H 57 7.896 7.950 -0.054 1
1 656 . 11 1 1 A 57 57 ALA HA H 57 4.232 4.021 0.211 1
1 660 . 11 1 1 A 57 57 ALA C C 57 180.928 180.218 0.710 1
1 661 . 11 1 1 A 57 57 ALA CA C 57 55.246 55.459 -0.213 1
1 662 . 11 1 1 A 57 57 ALA CB C 57 17.776 18.574 -0.798 1
1 663 . 11 1 1 A 57 57 ALA N N 57 121.379 119.961 1.418 1
1 664 . 11 1 1 A 58 58 VAL H H 58 7.973 7.924 0.049 1
1 665 . 11 1 1 A 58 58 VAL HA H 58 3.761 3.541 0.220 1
1 673 . 11 1 1 A 58 58 VAL C C 58 179.410 177.885 1.525 1
1 674 . 11 1 1 A 58 58 VAL CA C 58 65.807 66.721 -0.914 1
1 675 . 11 1 1 A 58 58 VAL CB C 58 31.978 31.584 0.394 1
1 678 . 11 1 1 A 58 58 VAL N N 58 117.592 117.765 -0.173 1
1 679 . 11 1 1 A 59 59 ALA H H 59 8.024 8.375 -0.351 1
1 680 . 11 1 1 A 59 59 ALA HA H 59 4.133 4.028 0.105 1
1 684 . 11 1 1 A 59 59 ALA C C 59 179.359 179.613 -0.254 1
1 685 . 11 1 1 A 59 59 ALA CA C 59 54.805 55.662 -0.857 1
1 686 . 11 1 1 A 59 59 ALA CB C 59 18.513 18.605 -0.092 1
1 687 . 11 1 1 A 59 59 ALA N N 59 124.023 121.736 2.287 1
1 688 . 11 1 1 A 60 60 GLU H H 60 8.334 7.847 0.487 1
1 689 . 11 1 1 A 60 60 GLU HA H 60 4.143 4.184 -0.041 1
1 694 . 11 1 1 A 60 60 GLU C C 60 177.391 176.452 0.939 1
1 695 . 11 1 1 A 60 60 GLU CA C 60 57.915 57.556 0.359 1
1 696 . 11 1 1 A 60 60 GLU CB C 60 30.962 30.118 0.844 1
1 698 . 11 1 1 A 60 60 GLU N N 60 115.335 116.643 -1.308 1
1 699 . 11 1 1 A 61 61 GLY H H 61 7.845 7.904 -0.059 1
1 700 . 11 1 1 A 61 61 GLY HA2 H 61 3.958 4.054 -0.096 1
1 701 . 11 1 1 A 61 61 GLY HA3 H 61 3.958 4.054 -0.096 1
1 702 . 11 1 1 A 61 61 GLY C C 61 174.090 174.647 -0.557 1
1 703 . 11 1 1 A 61 61 GLY CA C 61 45.654 45.348 0.306 1
1 704 . 11 1 1 A 61 61 GLY N N 61 107.486 107.205 0.281 1
1 705 . 11 1 1 A 62 62 LYS H H 62 8.068 7.810 0.258 1
1 706 . 11 1 1 A 62 62 LYS HA H 62 4.612 4.440 0.172 1
1 715 . 11 1 1 A 62 62 LYS C C 62 174.023 175.560 -1.537 1
1 716 . 11 1 1 A 62 62 LYS CA C 62 54.147 54.921 -0.774 1
1 717 . 11 1 1 A 62 62 LYS CB C 62 32.651 32.451 0.200 1
1 721 . 11 1 1 A 62 62 LYS N N 62 121.672 120.023 1.649 1
1 722 . 11 1 1 A 63 63 PRO HA H 63 4.692 4.584 0.108 1
1 729 . 11 1 1 A 63 63 PRO CA C 63 61.351 61.974 -0.623 1
1 730 . 11 1 1 A 63 63 PRO CB C 63 30.892 32.309 -1.417 1
1 733 . 11 1 1 A 64 64 PRO HA H 64 4.408 4.629 -0.221 1
1 740 . 11 1 1 A 64 64 PRO C C 64 176.775 176.980 -0.205 1
1 741 . 11 1 1 A 64 64 PRO CA C 64 62.926 62.296 0.630 1
1 742 . 11 1 1 A 64 64 PRO CB C 64 32.074 33.362 -1.288 1
1 745 . 11 1 1 A 65 65 GLU H H 65 8.396 8.667 -0.271 1
1 746 . 11 1 1 A 65 65 GLU HA H 65 4.243 3.989 0.254 1
1 751 . 11 1 1 A 65 65 GLU C C 65 175.888 176.463 -0.575 1
1 752 . 11 1 1 A 65 65 GLU CA C 65 56.083 60.090 -4.007 1
1 753 . 11 1 1 A 65 65 GLU CB C 65 30.722 29.173 1.549 1
1 755 . 11 1 1 A 65 65 GLU N N 65 121.093 121.038 0.055 1
1 756 . 11 1 1 A 66 66 ALA H H 66 8.434 7.801 0.633 1
1 757 . 11 1 1 A 66 66 ALA HA H 66 4.583 3.961 0.622 1
1 761 . 11 1 1 A 66 66 ALA C C 66 175.504 175.844 -0.340 1
1 762 . 11 1 1 A 66 66 ALA CA C 66 50.482 52.858 -2.376 1
1 763 . 11 1 1 A 66 66 ALA CB C 66 18.108 17.344 0.764 1
1 764 . 11 1 1 A 66 66 ALA N N 66 127.348 120.638 6.710 1
1 765 . 11 1 1 A 67 67 PRO HA H 67 4.408 4.552 -0.144 1
1 772 . 11 1 1 A 67 67 PRO C C 67 177.111 176.370 0.741 1
1 773 . 11 1 1 A 67 67 PRO CA C 67 63.056 62.284 0.772 1
1 774 . 11 1 1 A 67 67 PRO CB C 67 32.074 33.253 -1.179 1
1 777 . 11 1 1 A 68 68 LYS H H 68 8.479 8.344 0.135 1
1 778 . 11 1 1 A 68 68 LYS HA H 68 4.291 4.566 -0.275 1
1 787 . 11 1 1 A 68 68 LYS C C 68 177.292 175.704 1.588 1
1 788 . 11 1 1 A 68 68 LYS CA C 68 56.322 55.561 0.761 1
1 789 . 11 1 1 A 68 68 LYS CB C 68 33.146 33.407 -0.261 1
1 793 . 11 1 1 A 68 68 LYS N N 68 121.836 117.785 4.051 1
1 794 . 11 1 1 A 69 69 GLY H H 69 8.387 8.351 0.036 1
1 795 . 11 1 1 A 69 69 GLY HA2 H 69 3.948 4.168 -0.220 1
1 796 . 11 1 1 A 69 69 GLY HA3 H 69 3.948 4.168 -0.220 1
1 797 . 11 1 1 A 69 69 GLY C C 69 173.940 172.719 1.221 1
1 798 . 11 1 1 A 69 69 GLY CA C 69 45.160 44.634 0.526 1
1 799 . 11 1 1 A 69 69 GLY N N 69 109.796 109.909 -0.113 1
1 800 . 11 1 1 A 70 70 LYS H H 70 8.196 8.606 -0.410 1
1 801 . 11 1 1 A 70 70 LYS HA H 70 4.318 4.739 -0.421 1
1 810 . 11 1 1 A 70 70 LYS C C 70 176.642 175.123 1.519 1
1 811 . 11 1 1 A 70 70 LYS CA C 70 56.127 55.876 0.251 1
1 812 . 11 1 1 A 70 70 LYS CB C 70 33.272 33.633 -0.361 1
1 816 . 11 1 1 A 70 70 LYS N N 70 121.044 122.781 -1.737 1
1 817 . 11 1 1 A 71 71 LYS H H 71 8.348 8.503 -0.155 1
1 818 . 11 1 1 A 71 71 LYS HA H 71 4.273 5.305 -1.032 1
1 827 . 11 1 1 A 71 71 LYS C C 71 176.548 174.250 2.298 1
1 828 . 11 1 1 A 71 71 LYS CA C 71 56.285 54.732 1.553 1
1 829 . 11 1 1 A 71 71 LYS CB C 71 33.270 36.203 -2.933 1
1 833 . 11 1 1 A 71 71 LYS N N 71 123.152 125.905 -2.753 1
1 834 . 11 1 1 A 72 72 LYS H H 72 8.405 8.909 -0.504 1
1 835 . 11 1 1 A 72 72 LYS HA H 72 4.273 5.098 -0.825 1
1 836 . 11 1 1 A 72 72 LYS C C 72 176.499 175.623 0.876 1
1 837 . 11 1 1 A 72 72 LYS CA C 72 56.356 54.537 1.819 1
1 838 . 11 1 1 A 72 72 LYS CB C 72 33.146 36.362 -3.216 1
1 1 . 12 1 1 A 7 7 GLY HA2 H 7 4.042 3.914 0.128 1
1 2 . 12 1 1 A 7 7 GLY HA3 H 7 4.042 3.914 0.128 1
1 3 . 12 1 1 A 7 7 GLY C C 7 174.377 173.670 0.707 1
1 4 . 12 1 1 A 7 7 GLY CA C 7 45.425 47.117 -1.692 1
1 5 . 12 1 1 A 8 8 THR H H 8 8.131 7.788 0.343 1
1 6 . 12 1 1 A 8 8 THR HA H 8 4.448 4.825 -0.377 1
1 11 . 12 1 1 A 8 8 THR C C 8 174.773 172.047 2.726 1
1 12 . 12 1 1 A 8 8 THR CA C 8 61.787 60.585 1.202 1
1 13 . 12 1 1 A 8 8 THR CB C 8 69.913 71.026 -1.113 1
1 15 . 12 1 1 A 8 8 THR N N 8 113.630 112.689 0.941 1
1 16 . 12 1 1 A 9 9 THR H H 9 8.180 8.744 -0.564 1
1 17 . 12 1 1 A 9 9 THR HA H 9 4.355 5.145 -0.790 1
1 22 . 12 1 1 A 9 9 THR C C 9 174.203 172.335 1.868 1
1 23 . 12 1 1 A 9 9 THR CA C 9 61.892 60.045 1.847 1
1 24 . 12 1 1 A 9 9 THR CB C 9 69.891 71.978 -2.087 1
1 26 . 12 1 1 A 9 9 THR N N 9 116.604 120.061 -3.457 1
1 27 . 12 1 1 A 10 10 ALA H H 10 8.405 8.364 0.041 1
1 28 . 12 1 1 A 10 10 ALA HA H 10 4.376 4.790 -0.414 1
1 32 . 12 1 1 A 10 10 ALA C C 10 177.430 177.484 -0.054 1
1 33 . 12 1 1 A 10 10 ALA CA C 10 52.317 50.054 2.263 1
1 34 . 12 1 1 A 10 10 ALA CB C 10 19.506 21.951 -2.445 1
1 35 . 12 1 1 A 10 10 ALA N N 10 126.934 129.834 -2.900 1
1 36 . 12 1 1 A 11 11 LYS H H 11 8.462 9.176 -0.714 1
1 37 . 12 1 1 A 11 11 LYS HA H 11 4.575 4.106 0.469 1
1 46 . 12 1 1 A 11 11 LYS C C 11 174.921 176.375 -1.454 1
1 47 . 12 1 1 A 11 11 LYS CA C 11 55.122 61.465 -6.343 1
1 48 . 12 1 1 A 11 11 LYS CB C 11 31.910 30.645 1.265 1
1 52 . 12 1 1 A 11 11 LYS N N 11 121.526 120.786 0.740 1
1 53 . 12 1 1 A 12 12 PRO HA H 12 4.363 4.416 -0.053 1
1 60 . 12 1 1 A 12 12 PRO C C 12 178.290 178.162 0.128 1
1 61 . 12 1 1 A 12 12 PRO CA C 12 64.502 65.045 -0.543 1
1 62 . 12 1 1 A 12 12 PRO CB C 12 31.992 31.355 0.637 1
1 65 . 12 1 1 A 13 13 GLN H H 13 8.665 8.361 0.304 1
1 66 . 12 1 1 A 13 13 GLN HA H 13 4.158 4.186 -0.028 1
1 73 . 12 1 1 A 13 13 GLN C C 13 177.727 178.294 -0.567 1
1 74 . 12 1 1 A 13 13 GLN CA C 13 58.366 58.897 -0.531 1
1 75 . 12 1 1 A 13 13 GLN CB C 13 28.584 29.390 -0.806 1
1 77 . 12 1 1 A 13 13 GLN N N 13 119.964 116.690 3.274 1
1 79 . 12 1 1 A 14 14 GLN H H 14 8.376 8.305 0.071 1
1 80 . 12 1 1 A 14 14 GLN HA H 14 4.217 4.085 0.132 1
1 87 . 12 1 1 A 14 14 GLN C C 14 178.304 178.331 -0.027 1
1 88 . 12 1 1 A 14 14 GLN CA C 14 58.190 58.580 -0.390 1
1 89 . 12 1 1 A 14 14 GLN CB C 14 28.639 28.587 0.052 1
1 91 . 12 1 1 A 14 14 GLN N N 14 120.039 117.838 2.201 1
1 93 . 12 1 1 A 15 15 ILE H H 15 7.802 7.768 0.034 1
1 94 . 12 1 1 A 15 15 ILE HA H 15 3.654 3.649 0.005 1
1 104 . 12 1 1 A 15 15 ILE C C 15 177.183 178.063 -0.880 1
1 105 . 12 1 1 A 15 15 ILE CA C 15 64.643 64.900 -0.257 1
1 106 . 12 1 1 A 15 15 ILE CB C 15 37.828 37.667 0.161 1
1 110 . 12 1 1 A 15 15 ILE N N 15 119.981 121.594 -1.613 1
1 111 . 12 1 1 A 16 16 GLN H H 16 8.159 8.166 -0.007 1
1 112 . 12 1 1 A 16 16 GLN HA H 16 3.958 3.954 0.004 1
1 119 . 12 1 1 A 16 16 GLN C C 16 177.647 177.990 -0.343 1
1 120 . 12 1 1 A 16 16 GLN CA C 16 58.648 59.013 -0.365 1
1 121 . 12 1 1 A 16 16 GLN CB C 16 28.531 28.593 -0.062 1
1 123 . 12 1 1 A 16 16 GLN N N 16 119.695 120.014 -0.319 1
1 125 . 12 1 1 A 17 17 ALA H H 17 7.946 7.780 0.166 1
1 126 . 12 1 1 A 17 17 ALA HA H 17 4.239 4.021 0.218 1
1 130 . 12 1 1 A 17 17 ALA C C 17 180.910 179.789 1.121 1
1 131 . 12 1 1 A 17 17 ALA CA C 17 55.106 55.003 0.103 1
1 132 . 12 1 1 A 17 17 ALA CB C 17 17.990 18.289 -0.299 1
1 133 . 12 1 1 A 17 17 ALA N N 17 120.227 121.858 -1.631 1
1 134 . 12 1 1 A 18 18 LEU H H 18 7.682 8.534 -0.852 1
1 135 . 12 1 1 A 18 18 LEU HA H 18 4.187 3.875 0.312 1
1 145 . 12 1 1 A 18 18 LEU C C 18 178.977 178.761 0.216 1
1 146 . 12 1 1 A 18 18 LEU CA C 18 57.890 58.020 -0.130 1
1 147 . 12 1 1 A 18 18 LEU CB C 18 43.361 42.079 1.282 1
1 151 . 12 1 1 A 18 18 LEU N N 18 119.764 118.874 0.890 1
1 152 . 12 1 1 A 19 19 MET H H 19 8.699 8.530 0.169 1
1 153 . 12 1 1 A 19 19 MET HA H 19 3.965 4.031 -0.066 1
1 161 . 12 1 1 A 19 19 MET C C 19 179.207 178.202 1.005 1
1 162 . 12 1 1 A 19 19 MET CA C 19 59.794 59.005 0.789 1
1 163 . 12 1 1 A 19 19 MET CB C 19 32.445 32.162 0.283 1
1 166 . 12 1 1 A 19 19 MET N N 19 119.982 116.731 3.251 1
1 167 . 12 1 1 A 20 20 ASP H H 20 8.435 7.799 0.636 1
1 168 . 12 1 1 A 20 20 ASP HA H 20 4.453 4.299 0.154 1
1 171 . 12 1 1 A 20 20 ASP C C 20 179.127 178.378 0.749 1
1 172 . 12 1 1 A 20 20 ASP CA C 20 57.449 57.455 -0.006 1
1 173 . 12 1 1 A 20 20 ASP CB C 20 39.986 41.687 -1.701 1
1 174 . 12 1 1 A 20 20 ASP N N 20 120.434 120.569 -0.135 1
1 175 . 12 1 1 A 21 21 GLU H H 21 8.150 7.830 0.320 1
1 176 . 12 1 1 A 21 21 GLU HA H 21 4.168 4.006 0.162 1
1 181 . 12 1 1 A 21 21 GLU C C 21 179.405 179.487 -0.082 1
1 182 . 12 1 1 A 21 21 GLU CA C 21 59.477 59.542 -0.065 1
1 183 . 12 1 1 A 21 21 GLU CB C 21 29.441 29.237 0.204 1
1 185 . 12 1 1 A 21 21 GLU N N 21 122.159 118.659 3.500 1
1 186 . 12 1 1 A 22 22 VAL H H 22 8.754 7.996 0.758 1
1 187 . 12 1 1 A 22 22 VAL HA H 22 3.484 3.555 -0.071 1
1 195 . 12 1 1 A 22 22 VAL C C 22 179.177 177.736 1.441 1
1 196 . 12 1 1 A 22 22 VAL CA C 22 67.545 66.684 0.861 1
1 197 . 12 1 1 A 22 22 VAL CB C 22 31.712 31.670 0.042 1
1 200 . 12 1 1 A 22 22 VAL N N 22 121.967 120.231 1.736 1
1 201 . 12 1 1 A 23 23 THR H H 23 8.410 8.230 0.180 1
1 202 . 12 1 1 A 23 23 THR HA H 23 3.888 3.863 0.025 1
1 207 . 12 1 1 A 23 23 THR C C 23 176.515 176.395 0.120 1
1 208 . 12 1 1 A 23 23 THR CA C 23 66.706 66.933 -0.227 1
1 209 . 12 1 1 A 23 23 THR CB C 23 68.646 68.491 0.155 1
1 211 . 12 1 1 A 23 23 THR N N 23 119.619 115.990 3.629 1
1 212 . 12 1 1 A 24 24 LYS H H 24 8.179 8.305 -0.126 1
1 213 . 12 1 1 A 24 24 LYS HA H 24 4.055 3.966 0.089 1
1 219 . 12 1 1 A 24 24 LYS C C 24 179.223 178.403 0.820 1
1 220 . 12 1 1 A 24 24 LYS CA C 24 59.865 59.429 0.436 1
1 221 . 12 1 1 A 24 24 LYS CB C 24 32.733 32.052 0.681 1
1 225 . 12 1 1 A 24 24 LYS N N 24 122.464 121.730 0.734 1
1 226 . 12 1 1 A 25 25 GLN H H 25 8.791 8.294 0.497 1
1 227 . 12 1 1 A 25 25 GLN HA H 25 4.266 3.994 0.272 1
1 234 . 12 1 1 A 25 25 GLN C C 25 178.359 178.818 -0.459 1
1 235 . 12 1 1 A 25 25 GLN CA C 25 57.273 59.403 -2.130 1
1 236 . 12 1 1 A 25 25 GLN CB C 25 26.830 28.562 -1.732 1
1 238 . 12 1 1 A 25 25 GLN N N 25 120.181 118.299 1.882 1
1 240 . 12 1 1 A 26 26 GLY H H 26 8.828 8.759 0.069 1
1 241 . 12 1 1 A 26 26 GLY HA2 H 26 4.099 3.811 0.288 1
1 242 . 12 1 1 A 26 26 GLY HA3 H 26 3.788 3.811 -0.023 1
1 243 . 12 1 1 A 26 26 GLY C C 26 176.618 176.092 0.526 1
1 244 . 12 1 1 A 26 26 GLY CA C 26 47.161 47.339 -0.178 1
1 245 . 12 1 1 A 26 26 GLY N N 26 108.597 107.594 1.003 1
1 246 . 12 1 1 A 27 27 ASN H H 27 7.910 7.445 0.465 1
1 247 . 12 1 1 A 27 27 ASN HA H 27 4.582 4.448 0.134 1
1 252 . 12 1 1 A 27 27 ASN C C 27 177.317 178.174 -0.857 1
1 253 . 12 1 1 A 27 27 ASN CA C 27 56.074 55.628 0.446 1
1 254 . 12 1 1 A 27 27 ASN CB C 27 37.729 38.363 -0.634 1
1 255 . 12 1 1 A 27 27 ASN N N 27 121.818 120.028 1.790 1
1 257 . 12 1 1 A 28 28 ILE H H 28 7.811 7.834 -0.023 1
1 258 . 12 1 1 A 28 28 ILE HA H 28 3.789 3.748 0.041 1
1 268 . 12 1 1 A 28 28 ILE C C 28 178.445 177.941 0.504 1
1 269 . 12 1 1 A 28 28 ILE CA C 28 65.117 65.319 -0.202 1
1 270 . 12 1 1 A 28 28 ILE CB C 28 37.914 37.817 0.097 1
1 274 . 12 1 1 A 28 28 ILE N N 28 123.083 120.329 2.754 1
1 275 . 12 1 1 A 29 29 VAL H H 29 8.018 8.428 -0.410 1
1 276 . 12 1 1 A 29 29 VAL HA H 29 3.399 3.703 -0.304 1
1 284 . 12 1 1 A 29 29 VAL C C 29 176.953 178.051 -1.098 1
1 285 . 12 1 1 A 29 29 VAL CA C 29 67.541 67.014 0.527 1
1 286 . 12 1 1 A 29 29 VAL CB C 29 32.013 31.508 0.505 1
1 289 . 12 1 1 A 29 29 VAL N N 29 119.117 120.689 -1.572 1
1 290 . 12 1 1 A 30 30 ARG H H 30 7.965 7.828 0.137 1
1 291 . 12 1 1 A 30 30 ARG HA H 30 3.928 3.951 -0.023 1
1 298 . 12 1 1 A 30 30 ARG C C 30 179.609 178.290 1.319 1
1 299 . 12 1 1 A 30 30 ARG CA C 30 60.006 59.951 0.055 1
1 300 . 12 1 1 A 30 30 ARG CB C 30 30.302 29.995 0.307 1
1 303 . 12 1 1 A 30 30 ARG N N 30 118.510 119.810 -1.300 1
1 304 . 12 1 1 A 31 31 GLU H H 31 8.211 8.089 0.122 1
1 305 . 12 1 1 A 31 31 GLU HA H 31 4.167 4.074 0.093 1
1 310 . 12 1 1 A 31 31 GLU C C 31 178.910 179.086 -0.176 1
1 311 . 12 1 1 A 31 31 GLU CA C 31 59.195 59.108 0.087 1
1 312 . 12 1 1 A 31 31 GLU CB C 31 29.437 29.436 0.001 1
1 314 . 12 1 1 A 31 31 GLU N N 31 120.110 117.392 2.718 1
1 315 . 12 1 1 A 32 32 LEU H H 32 8.287 8.095 0.192 1
1 316 . 12 1 1 A 32 32 LEU HA H 32 4.021 3.887 0.134 1
1 326 . 12 1 1 A 32 32 LEU C C 32 179.931 179.457 0.474 1
1 327 . 12 1 1 A 32 32 LEU CA C 32 57.979 57.717 0.262 1
1 328 . 12 1 1 A 32 32 LEU CB C 32 42.524 41.328 1.196 1
1 332 . 12 1 1 A 32 32 LEU N N 32 120.148 121.111 -0.963 1
1 333 . 12 1 1 A 33 33 LYS H H 33 8.205 7.768 0.437 1
1 334 . 12 1 1 A 33 33 LYS HA H 33 4.048 4.067 -0.019 1
1 343 . 12 1 1 A 33 33 LYS C C 33 180.739 179.476 1.263 1
1 344 . 12 1 1 A 33 33 LYS CA C 33 59.883 59.577 0.306 1
1 345 . 12 1 1 A 33 33 LYS CB C 33 32.569 32.254 0.315 1
1 349 . 12 1 1 A 33 33 LYS N N 33 117.234 117.478 -0.244 1
1 350 . 12 1 1 A 34 34 ALA H H 34 8.101 7.929 0.172 1
1 351 . 12 1 1 A 34 34 ALA HA H 34 4.185 4.098 0.087 1
1 355 . 12 1 1 A 34 34 ALA C C 34 179.304 178.750 0.554 1
1 356 . 12 1 1 A 34 34 ALA CA C 34 54.734 54.799 -0.065 1
1 357 . 12 1 1 A 34 34 ALA CB C 34 18.190 18.684 -0.494 1
1 358 . 12 1 1 A 34 34 ALA N N 34 123.540 121.779 1.761 1
1 359 . 12 1 1 A 35 35 GLN H H 35 7.815 8.284 -0.469 1
1 360 . 12 1 1 A 35 35 GLN HA H 35 4.299 4.217 0.082 1
1 367 . 12 1 1 A 35 35 GLN C C 35 175.344 175.544 -0.200 1
1 368 . 12 1 1 A 35 35 GLN CA C 35 55.342 54.816 0.526 1
1 369 . 12 1 1 A 35 35 GLN CB C 35 28.819 27.489 1.330 1
1 371 . 12 1 1 A 35 35 GLN N N 35 115.126 112.829 2.297 1
1 373 . 12 1 1 A 36 36 LYS H H 36 7.948 7.789 0.159 1
1 374 . 12 1 1 A 36 36 LYS HA H 36 3.963 3.802 0.161 1
1 382 . 12 1 1 A 36 36 LYS C C 36 175.883 175.630 0.253 1
1 383 . 12 1 1 A 36 36 LYS CA C 36 56.872 57.175 -0.303 1
1 384 . 12 1 1 A 36 36 LYS CB C 36 28.917 29.805 -0.888 1
1 388 . 12 1 1 A 36 36 LYS N N 36 117.310 114.727 2.583 1
1 389 . 12 1 1 A 37 37 ALA H H 37 7.646 7.670 -0.024 1
1 390 . 12 1 1 A 37 37 ALA HA H 37 4.226 4.233 -0.007 1
1 394 . 12 1 1 A 37 37 ALA C C 37 176.094 176.304 -0.210 1
1 395 . 12 1 1 A 37 37 ALA CA C 37 52.143 52.623 -0.480 1
1 396 . 12 1 1 A 37 37 ALA CB C 37 20.742 20.033 0.709 1
1 397 . 12 1 1 A 37 37 ALA N N 37 120.112 119.170 0.942 1
1 398 . 12 1 1 A 38 38 ASP H H 38 8.474 8.318 0.156 1
1 399 . 12 1 1 A 38 38 ASP HA H 38 4.387 4.644 -0.257 1
1 402 . 12 1 1 A 38 38 ASP C C 38 177.481 176.934 0.547 1
1 403 . 12 1 1 A 38 38 ASP CA C 38 54.992 54.185 0.807 1
1 404 . 12 1 1 A 38 38 ASP CB C 38 43.156 42.266 0.890 1
1 405 . 12 1 1 A 38 38 ASP N N 38 119.141 120.721 -1.580 1
1 406 . 12 1 1 A 39 39 LYS H H 39 8.703 9.055 -0.352 1
1 407 . 12 1 1 A 39 39 LYS HA H 39 3.967 3.844 0.123 1
1 414 . 12 1 1 A 39 39 LYS C C 39 178.806 178.167 0.639 1
1 415 . 12 1 1 A 39 39 LYS CA C 39 59.547 60.684 -1.137 1
1 416 . 12 1 1 A 39 39 LYS CB C 39 32.222 32.497 -0.275 1
1 420 . 12 1 1 A 39 39 LYS N N 39 124.290 127.664 -3.374 1
1 421 . 12 1 1 A 40 40 ASN H H 40 8.873 8.240 0.633 1
1 422 . 12 1 1 A 40 40 ASN HA H 40 4.571 4.456 0.115 1
1 427 . 12 1 1 A 40 40 ASN C C 40 178.014 178.304 -0.290 1
1 428 . 12 1 1 A 40 40 ASN CA C 40 56.091 56.532 -0.441 1
1 429 . 12 1 1 A 40 40 ASN CB C 40 37.900 37.925 -0.025 1
1 430 . 12 1 1 A 40 40 ASN N N 40 119.722 117.875 1.847 1
1 432 . 12 1 1 A 41 41 GLU H H 41 7.881 8.041 -0.160 1
1 433 . 12 1 1 A 41 41 GLU HA H 41 4.192 3.992 0.200 1
1 438 . 12 1 1 A 41 41 GLU C C 41 178.917 179.549 -0.632 1
1 439 . 12 1 1 A 41 41 GLU CA C 41 59.213 59.456 -0.243 1
1 440 . 12 1 1 A 41 41 GLU CB C 41 29.520 29.255 0.265 1
1 442 . 12 1 1 A 41 41 GLU N N 41 124.025 119.692 4.333 1
1 443 . 12 1 1 A 42 42 VAL H H 42 8.061 8.403 -0.342 1
1 444 . 12 1 1 A 42 42 VAL HA H 42 3.397 3.600 -0.203 1
1 452 . 12 1 1 A 42 42 VAL C C 42 177.701 177.947 -0.246 1
1 453 . 12 1 1 A 42 42 VAL CA C 42 67.341 66.288 1.053 1
1 454 . 12 1 1 A 42 42 VAL CB C 42 32.075 31.755 0.320 1
1 457 . 12 1 1 A 42 42 VAL N N 42 117.921 121.111 -3.190 1
1 458 . 12 1 1 A 43 43 ALA H H 43 8.136 8.561 -0.425 1
1 459 . 12 1 1 A 43 43 ALA HA H 43 4.101 3.950 0.151 1
1 463 . 12 1 1 A 43 43 ALA C C 43 180.808 179.653 1.155 1
1 464 . 12 1 1 A 43 43 ALA CA C 43 55.404 55.598 -0.194 1
1 465 . 12 1 1 A 43 43 ALA CB C 43 17.722 18.327 -0.605 1
1 466 . 12 1 1 A 43 43 ALA N N 43 119.833 122.121 -2.288 1
1 467 . 12 1 1 A 44 44 ALA H H 44 7.664 7.919 -0.255 1
1 468 . 12 1 1 A 44 44 ALA HA H 44 4.234 3.981 0.253 1
1 472 . 12 1 1 A 44 44 ALA C C 44 180.953 180.402 0.551 1
1 473 . 12 1 1 A 44 44 ALA CA C 44 55.122 55.456 -0.334 1
1 474 . 12 1 1 A 44 44 ALA CB C 44 18.229 18.239 -0.010 1
1 475 . 12 1 1 A 44 44 ALA N N 44 121.026 120.033 0.993 1
1 476 . 12 1 1 A 45 45 GLU H H 45 7.837 8.045 -0.208 1
1 477 . 12 1 1 A 45 45 GLU HA H 45 4.447 4.018 0.429 1
1 482 . 12 1 1 A 45 45 GLU C C 45 180.357 179.694 0.663 1
1 483 . 12 1 1 A 45 45 GLU CA C 45 57.467 59.389 -1.922 1
1 484 . 12 1 1 A 45 45 GLU CB C 45 28.255 29.162 -0.907 1
1 486 . 12 1 1 A 45 45 GLU N N 45 118.409 118.236 0.173 1
1 487 . 12 1 1 A 46 46 VAL H H 46 9.024 8.118 0.906 1
1 488 . 12 1 1 A 46 46 VAL HA H 46 3.638 3.604 0.034 1
1 496 . 12 1 1 A 46 46 VAL C C 46 177.712 177.939 -0.227 1
1 497 . 12 1 1 A 46 46 VAL CA C 46 66.961 66.348 0.613 1
1 498 . 12 1 1 A 46 46 VAL CB C 46 31.910 31.620 0.290 1
1 501 . 12 1 1 A 46 46 VAL N N 46 124.975 121.725 3.250 1
1 502 . 12 1 1 A 47 47 ALA H H 47 8.130 8.485 -0.355 1
1 503 . 12 1 1 A 47 47 ALA HA H 47 4.093 3.988 0.105 1
1 507 . 12 1 1 A 47 47 ALA C C 47 180.853 179.664 1.189 1
1 508 . 12 1 1 A 47 47 ALA CA C 47 55.545 55.604 -0.059 1
1 509 . 12 1 1 A 47 47 ALA CB C 47 17.683 18.294 -0.611 1
1 510 . 12 1 1 A 47 47 ALA N N 47 122.493 122.448 0.045 1
1 511 . 12 1 1 A 48 48 LYS H H 48 7.442 7.765 -0.323 1
1 512 . 12 1 1 A 48 48 LYS HA H 48 4.183 4.076 0.107 1
1 521 . 12 1 1 A 48 48 LYS C C 48 178.698 178.673 0.025 1
1 522 . 12 1 1 A 48 48 LYS CA C 48 59.389 59.159 0.230 1
1 523 . 12 1 1 A 48 48 LYS CB C 48 32.610 32.101 0.509 1
1 527 . 12 1 1 A 48 48 LYS N N 48 118.186 117.161 1.025 1
1 528 . 12 1 1 A 49 49 LEU H H 49 7.822 7.799 0.023 1
1 529 . 12 1 1 A 49 49 LEU HA H 49 4.012 3.963 0.049 1
1 539 . 12 1 1 A 49 49 LEU C C 49 177.582 178.654 -1.072 1
1 540 . 12 1 1 A 49 49 LEU CA C 49 58.490 58.372 0.118 1
1 541 . 12 1 1 A 49 49 LEU CB C 49 42.119 42.108 0.011 1
1 545 . 12 1 1 A 49 49 LEU N N 49 120.499 121.178 -0.679 1
1 546 . 12 1 1 A 50 50 LEU H H 50 8.565 8.317 0.248 1
1 547 . 12 1 1 A 50 50 LEU HA H 50 3.994 3.918 0.076 1
1 557 . 12 1 1 A 50 50 LEU C C 50 180.128 179.400 0.728 1
1 558 . 12 1 1 A 50 50 LEU CA C 50 58.330 57.961 0.369 1
1 559 . 12 1 1 A 50 50 LEU CB C 50 41.060 41.743 -0.683 1
1 563 . 12 1 1 A 50 50 LEU N N 50 118.622 119.505 -0.883 1
1 564 . 12 1 1 A 51 51 ASP H H 51 7.962 7.747 0.215 1
1 565 . 12 1 1 A 51 51 ASP HA H 51 4.480 4.446 0.034 1
1 568 . 12 1 1 A 51 51 ASP C C 51 178.808 178.582 0.226 1
1 569 . 12 1 1 A 51 51 ASP CA C 51 57.802 57.073 0.729 1
1 570 . 12 1 1 A 51 51 ASP CB C 51 41.435 41.150 0.285 1
1 571 . 12 1 1 A 51 51 ASP N N 51 120.483 120.006 0.477 1
1 572 . 12 1 1 A 52 52 LEU H H 52 8.228 8.490 -0.262 1
1 573 . 12 1 1 A 52 52 LEU HA H 52 4.006 3.909 0.097 1
1 583 . 12 1 1 A 52 52 LEU C C 52 179.173 179.387 -0.214 1
1 584 . 12 1 1 A 52 52 LEU CA C 52 58.190 57.945 0.245 1
1 585 . 12 1 1 A 52 52 LEU CB C 52 43.222 41.580 1.642 1
1 589 . 12 1 1 A 52 52 LEU N N 52 121.105 119.747 1.358 1
1 590 . 12 1 1 A 53 53 LYS H H 53 8.531 8.155 0.376 1
1 591 . 12 1 1 A 53 53 LYS HA H 53 3.872 3.827 0.045 1
1 600 . 12 1 1 A 53 53 LYS C C 53 179.984 179.066 0.918 1
1 601 . 12 1 1 A 53 53 LYS CA C 53 60.699 60.388 0.311 1
1 602 . 12 1 1 A 53 53 LYS CB C 53 32.239 32.199 0.040 1
1 606 . 12 1 1 A 53 53 LYS N N 53 118.013 118.515 -0.502 1
1 607 . 12 1 1 A 54 54 LYS H H 54 8.090 7.837 0.253 1
1 608 . 12 1 1 A 54 54 LYS HA H 54 4.165 4.074 0.091 1
1 616 . 12 1 1 A 54 54 LYS C C 54 178.638 179.016 -0.378 1
1 617 . 12 1 1 A 54 54 LYS CA C 54 59.847 59.152 0.695 1
1 618 . 12 1 1 A 54 54 LYS CB C 54 32.116 32.006 0.110 1
1 622 . 12 1 1 A 54 54 LYS N N 54 122.616 118.493 4.123 1
1 623 . 12 1 1 A 55 55 GLN H H 55 8.214 7.689 0.525 1
1 624 . 12 1 1 A 55 55 GLN HA H 55 3.976 4.072 -0.096 1
1 631 . 12 1 1 A 55 55 GLN C C 55 179.696 177.978 1.718 1
1 632 . 12 1 1 A 55 55 GLN CA C 55 59.177 58.630 0.547 1
1 633 . 12 1 1 A 55 55 GLN CB C 55 29.400 28.464 0.936 1
1 635 . 12 1 1 A 55 55 GLN N N 55 119.132 119.507 -0.375 1
1 637 . 12 1 1 A 56 56 LEU H H 56 8.506 8.551 -0.045 1
1 638 . 12 1 1 A 56 56 LEU HA H 56 4.116 4.048 0.068 1
1 648 . 12 1 1 A 56 56 LEU C C 56 176.782 178.180 -1.398 1
1 649 . 12 1 1 A 56 56 LEU CA C 56 57.925 58.370 -0.445 1
1 650 . 12 1 1 A 56 56 LEU CB C 56 41.465 41.606 -0.141 1
1 654 . 12 1 1 A 56 56 LEU N N 56 122.033 122.314 -0.281 1
1 655 . 12 1 1 A 57 57 ALA H H 57 7.896 7.790 0.106 1
1 656 . 12 1 1 A 57 57 ALA HA H 57 4.232 4.034 0.198 1
1 660 . 12 1 1 A 57 57 ALA C C 57 180.928 179.712 1.216 1
1 661 . 12 1 1 A 57 57 ALA CA C 57 55.246 55.371 -0.125 1
1 662 . 12 1 1 A 57 57 ALA CB C 57 17.776 18.551 -0.775 1
1 663 . 12 1 1 A 57 57 ALA N N 57 121.379 120.835 0.544 1
1 664 . 12 1 1 A 58 58 VAL H H 58 7.973 7.945 0.028 1
1 665 . 12 1 1 A 58 58 VAL HA H 58 3.761 3.669 0.092 1
1 673 . 12 1 1 A 58 58 VAL C C 58 179.410 177.873 1.537 1
1 674 . 12 1 1 A 58 58 VAL CA C 58 65.807 66.768 -0.961 1
1 675 . 12 1 1 A 58 58 VAL CB C 58 31.978 31.555 0.423 1
1 678 . 12 1 1 A 58 58 VAL N N 58 117.592 117.879 -0.287 1
1 679 . 12 1 1 A 59 59 ALA H H 59 8.024 8.623 -0.599 1
1 680 . 12 1 1 A 59 59 ALA HA H 59 4.133 4.012 0.121 1
1 684 . 12 1 1 A 59 59 ALA C C 59 179.359 179.924 -0.565 1
1 685 . 12 1 1 A 59 59 ALA CA C 59 54.805 55.687 -0.882 1
1 686 . 12 1 1 A 59 59 ALA CB C 59 18.513 18.457 0.056 1
1 687 . 12 1 1 A 59 59 ALA N N 59 124.023 121.575 2.448 1
1 688 . 12 1 1 A 60 60 GLU H H 60 8.334 7.639 0.695 1
1 689 . 12 1 1 A 60 60 GLU HA H 60 4.143 4.090 0.053 1
1 694 . 12 1 1 A 60 60 GLU C C 60 177.391 176.499 0.892 1
1 695 . 12 1 1 A 60 60 GLU CA C 60 57.915 58.280 -0.365 1
1 696 . 12 1 1 A 60 60 GLU CB C 60 30.962 30.174 0.788 1
1 698 . 12 1 1 A 60 60 GLU N N 60 115.335 116.874 -1.539 1
1 699 . 12 1 1 A 61 61 GLY H H 61 7.845 7.729 0.116 1
1 700 . 12 1 1 A 61 61 GLY HA2 H 61 3.958 4.029 -0.071 1
1 701 . 12 1 1 A 61 61 GLY HA3 H 61 3.958 4.029 -0.071 1
1 702 . 12 1 1 A 61 61 GLY C C 61 174.090 174.814 -0.724 1
1 703 . 12 1 1 A 61 61 GLY CA C 61 45.654 45.454 0.200 1
1 704 . 12 1 1 A 61 61 GLY N N 61 107.486 107.245 0.241 1
1 705 . 12 1 1 A 62 62 LYS H H 62 8.068 7.827 0.241 1
1 706 . 12 1 1 A 62 62 LYS HA H 62 4.612 4.315 0.297 1
1 715 . 12 1 1 A 62 62 LYS C C 62 174.023 174.594 -0.571 1
1 716 . 12 1 1 A 62 62 LYS CA C 62 54.147 55.211 -1.064 1
1 717 . 12 1 1 A 62 62 LYS CB C 62 32.651 31.988 0.663 1
1 721 . 12 1 1 A 62 62 LYS N N 62 121.672 121.294 0.378 1
1 722 . 12 1 1 A 63 63 PRO HA H 63 4.692 4.677 0.015 1
1 729 . 12 1 1 A 63 63 PRO CA C 63 61.351 61.464 -0.113 1
1 730 . 12 1 1 A 63 63 PRO CB C 63 30.892 31.285 -0.393 1
1 733 . 12 1 1 A 64 64 PRO HA H 64 4.408 4.535 -0.127 1
1 740 . 12 1 1 A 64 64 PRO C C 64 176.775 177.216 -0.441 1
1 741 . 12 1 1 A 64 64 PRO CA C 64 62.926 62.282 0.644 1
1 742 . 12 1 1 A 64 64 PRO CB C 64 32.074 33.104 -1.030 1
1 745 . 12 1 1 A 65 65 GLU H H 65 8.396 8.731 -0.335 1
1 746 . 12 1 1 A 65 65 GLU HA H 65 4.243 3.975 0.268 1
1 751 . 12 1 1 A 65 65 GLU C C 65 175.888 176.677 -0.789 1
1 752 . 12 1 1 A 65 65 GLU CA C 65 56.083 60.072 -3.989 1
1 753 . 12 1 1 A 65 65 GLU CB C 65 30.722 29.630 1.092 1
1 755 . 12 1 1 A 65 65 GLU N N 65 121.093 121.023 0.070 1
1 756 . 12 1 1 A 66 66 ALA H H 66 8.434 7.893 0.541 1
1 757 . 12 1 1 A 66 66 ALA HA H 66 4.583 3.857 0.726 1
1 761 . 12 1 1 A 66 66 ALA C C 66 175.504 175.878 -0.374 1
1 762 . 12 1 1 A 66 66 ALA CA C 66 50.482 52.853 -2.371 1
1 763 . 12 1 1 A 66 66 ALA CB C 66 18.108 17.214 0.894 1
1 764 . 12 1 1 A 66 66 ALA N N 66 127.348 120.100 7.248 1
1 765 . 12 1 1 A 67 67 PRO HA H 67 4.408 4.573 -0.165 1
1 772 . 12 1 1 A 67 67 PRO C C 67 177.111 176.303 0.808 1
1 773 . 12 1 1 A 67 67 PRO CA C 67 63.056 62.528 0.528 1
1 774 . 12 1 1 A 67 67 PRO CB C 67 32.074 32.568 -0.494 1
1 777 . 12 1 1 A 68 68 LYS H H 68 8.479 8.363 0.116 1
1 778 . 12 1 1 A 68 68 LYS HA H 68 4.291 3.919 0.372 1
1 787 . 12 1 1 A 68 68 LYS C C 68 177.292 177.272 0.020 1
1 788 . 12 1 1 A 68 68 LYS CA C 68 56.322 58.062 -1.740 1
1 789 . 12 1 1 A 68 68 LYS CB C 68 33.146 32.375 0.771 1
1 793 . 12 1 1 A 68 68 LYS N N 68 121.836 121.992 -0.156 1
1 794 . 12 1 1 A 69 69 GLY H H 69 8.387 8.746 -0.359 1
1 795 . 12 1 1 A 69 69 GLY HA2 H 69 3.948 3.988 -0.040 1
1 796 . 12 1 1 A 69 69 GLY HA3 H 69 3.948 3.988 -0.040 1
1 797 . 12 1 1 A 69 69 GLY C C 69 173.940 174.251 -0.311 1
1 798 . 12 1 1 A 69 69 GLY CA C 69 45.160 45.394 -0.234 1
1 799 . 12 1 1 A 69 69 GLY N N 69 109.796 112.527 -2.731 1
1 800 . 12 1 1 A 70 70 LYS H H 70 8.196 7.747 0.449 1
1 801 . 12 1 1 A 70 70 LYS HA H 70 4.318 4.609 -0.291 1
1 810 . 12 1 1 A 70 70 LYS C C 70 176.642 175.410 1.232 1
1 811 . 12 1 1 A 70 70 LYS CA C 70 56.127 54.697 1.430 1
1 812 . 12 1 1 A 70 70 LYS CB C 70 33.272 34.147 -0.875 1
1 816 . 12 1 1 A 70 70 LYS N N 70 121.044 122.056 -1.012 1
1 817 . 12 1 1 A 71 71 LYS H H 71 8.348 8.444 -0.096 1
1 818 . 12 1 1 A 71 71 LYS HA H 71 4.273 4.387 -0.114 1
1 827 . 12 1 1 A 71 71 LYS C C 71 176.548 176.311 0.237 1
1 828 . 12 1 1 A 71 71 LYS CA C 71 56.285 56.019 0.266 1
1 829 . 12 1 1 A 71 71 LYS CB C 71 33.270 31.195 2.075 1
1 833 . 12 1 1 A 71 71 LYS N N 71 123.152 126.847 -3.695 1
1 834 . 12 1 1 A 72 72 LYS H H 72 8.405 8.185 0.220 1
1 835 . 12 1 1 A 72 72 LYS HA H 72 4.273 4.302 -0.029 1
1 836 . 12 1 1 A 72 72 LYS C C 72 176.499 176.086 0.413 1
1 837 . 12 1 1 A 72 72 LYS CA C 72 56.356 56.385 -0.029 1
1 838 . 12 1 1 A 72 72 LYS CB C 72 33.146 32.610 0.536 1
1 1 . 13 1 1 A 7 7 GLY HA2 H 7 4.042 4.076 -0.034 1
1 2 . 13 1 1 A 7 7 GLY HA3 H 7 4.042 4.076 -0.034 1
1 3 . 13 1 1 A 7 7 GLY C C 7 174.377 175.170 -0.793 1
1 4 . 13 1 1 A 7 7 GLY CA C 7 45.425 45.556 -0.131 1
1 5 . 13 1 1 A 8 8 THR H H 8 8.131 8.279 -0.148 1
1 6 . 13 1 1 A 8 8 THR HA H 8 4.448 4.593 -0.145 1
1 11 . 13 1 1 A 8 8 THR C C 8 174.773 174.870 -0.097 1
1 12 . 13 1 1 A 8 8 THR CA C 8 61.787 61.042 0.745 1
1 13 . 13 1 1 A 8 8 THR CB C 8 69.913 68.641 1.272 1
1 15 . 13 1 1 A 8 8 THR N N 8 113.630 112.030 1.600 1
1 16 . 13 1 1 A 9 9 THR H H 9 8.180 7.596 0.584 1
1 17 . 13 1 1 A 9 9 THR HA H 9 4.355 5.017 -0.662 1
1 22 . 13 1 1 A 9 9 THR C C 9 174.203 173.633 0.570 1
1 23 . 13 1 1 A 9 9 THR CA C 9 61.892 60.620 1.272 1
1 24 . 13 1 1 A 9 9 THR CB C 9 69.891 70.049 -0.158 1
1 26 . 13 1 1 A 9 9 THR N N 9 116.604 114.575 2.029 1
1 27 . 13 1 1 A 10 10 ALA H H 10 8.405 8.390 0.015 1
1 28 . 13 1 1 A 10 10 ALA HA H 10 4.376 4.689 -0.313 1
1 32 . 13 1 1 A 10 10 ALA C C 10 177.430 177.419 0.011 1
1 33 . 13 1 1 A 10 10 ALA CA C 10 52.317 51.650 0.667 1
1 34 . 13 1 1 A 10 10 ALA CB C 10 19.506 22.582 -3.076 1
1 35 . 13 1 1 A 10 10 ALA N N 10 126.934 126.208 0.726 1
1 36 . 13 1 1 A 11 11 LYS H H 11 8.462 9.102 -0.640 1
1 37 . 13 1 1 A 11 11 LYS HA H 11 4.575 4.295 0.280 1
1 46 . 13 1 1 A 11 11 LYS C C 11 174.921 176.446 -1.525 1
1 47 . 13 1 1 A 11 11 LYS CA C 11 55.122 61.440 -6.318 1
1 48 . 13 1 1 A 11 11 LYS CB C 11 31.910 30.375 1.535 1
1 52 . 13 1 1 A 11 11 LYS N N 11 121.526 123.119 -1.593 1
1 53 . 13 1 1 A 12 12 PRO HA H 12 4.363 4.420 -0.057 1
1 60 . 13 1 1 A 12 12 PRO C C 12 178.290 178.662 -0.372 1
1 61 . 13 1 1 A 12 12 PRO CA C 12 64.502 64.830 -0.328 1
1 62 . 13 1 1 A 12 12 PRO CB C 12 31.992 31.381 0.611 1
1 65 . 13 1 1 A 13 13 GLN H H 13 8.665 8.205 0.460 1
1 66 . 13 1 1 A 13 13 GLN HA H 13 4.158 4.239 -0.081 1
1 73 . 13 1 1 A 13 13 GLN C C 13 177.727 177.778 -0.051 1
1 74 . 13 1 1 A 13 13 GLN CA C 13 58.366 58.556 -0.190 1
1 75 . 13 1 1 A 13 13 GLN CB C 13 28.584 29.309 -0.725 1
1 77 . 13 1 1 A 13 13 GLN N N 13 119.964 117.681 2.283 1
1 79 . 13 1 1 A 14 14 GLN H H 14 8.376 8.551 -0.175 1
1 80 . 13 1 1 A 14 14 GLN HA H 14 4.217 4.091 0.126 1
1 87 . 13 1 1 A 14 14 GLN C C 14 178.304 178.139 0.165 1
1 88 . 13 1 1 A 14 14 GLN CA C 14 58.190 58.377 -0.187 1
1 89 . 13 1 1 A 14 14 GLN CB C 14 28.639 28.632 0.007 1
1 91 . 13 1 1 A 14 14 GLN N N 14 120.039 117.291 2.748 1
1 93 . 13 1 1 A 15 15 ILE H H 15 7.802 7.678 0.124 1
1 94 . 13 1 1 A 15 15 ILE HA H 15 3.654 3.653 0.001 1
1 104 . 13 1 1 A 15 15 ILE C C 15 177.183 178.085 -0.902 1
1 105 . 13 1 1 A 15 15 ILE CA C 15 64.643 65.008 -0.365 1
1 106 . 13 1 1 A 15 15 ILE CB C 15 37.828 37.665 0.163 1
1 110 . 13 1 1 A 15 15 ILE N N 15 119.981 121.687 -1.706 1
1 111 . 13 1 1 A 16 16 GLN H H 16 8.159 7.804 0.355 1
1 112 . 13 1 1 A 16 16 GLN HA H 16 3.958 3.973 -0.015 1
1 119 . 13 1 1 A 16 16 GLN C C 16 177.647 177.869 -0.222 1
1 120 . 13 1 1 A 16 16 GLN CA C 16 58.648 59.020 -0.372 1
1 121 . 13 1 1 A 16 16 GLN CB C 16 28.531 28.734 -0.203 1
1 123 . 13 1 1 A 16 16 GLN N N 16 119.695 119.902 -0.207 1
1 125 . 13 1 1 A 17 17 ALA H H 17 7.946 7.699 0.247 1
1 126 . 13 1 1 A 17 17 ALA HA H 17 4.239 4.036 0.203 1
1 130 . 13 1 1 A 17 17 ALA C C 17 180.910 179.949 0.961 1
1 131 . 13 1 1 A 17 17 ALA CA C 17 55.106 55.203 -0.097 1
1 132 . 13 1 1 A 17 17 ALA CB C 17 17.990 18.637 -0.647 1
1 133 . 13 1 1 A 17 17 ALA N N 17 120.227 122.005 -1.778 1
1 134 . 13 1 1 A 18 18 LEU H H 18 7.682 8.647 -0.965 1
1 135 . 13 1 1 A 18 18 LEU HA H 18 4.187 3.919 0.268 1
1 145 . 13 1 1 A 18 18 LEU C C 18 178.977 178.894 0.083 1
1 146 . 13 1 1 A 18 18 LEU CA C 18 57.890 58.019 -0.129 1
1 147 . 13 1 1 A 18 18 LEU CB C 18 43.361 41.806 1.555 1
1 151 . 13 1 1 A 18 18 LEU N N 18 119.764 118.401 1.363 1
1 152 . 13 1 1 A 19 19 MET H H 19 8.699 8.450 0.249 1
1 153 . 13 1 1 A 19 19 MET HA H 19 3.965 4.001 -0.036 1
1 161 . 13 1 1 A 19 19 MET C C 19 179.207 178.283 0.924 1
1 162 . 13 1 1 A 19 19 MET CA C 19 59.794 58.896 0.898 1
1 163 . 13 1 1 A 19 19 MET CB C 19 32.445 32.145 0.300 1
1 166 . 13 1 1 A 19 19 MET N N 19 119.982 116.645 3.337 1
1 167 . 13 1 1 A 20 20 ASP H H 20 8.435 7.771 0.664 1
1 168 . 13 1 1 A 20 20 ASP HA H 20 4.453 4.305 0.148 1
1 171 . 13 1 1 A 20 20 ASP C C 20 179.127 178.673 0.454 1
1 172 . 13 1 1 A 20 20 ASP CA C 20 57.449 57.798 -0.349 1
1 173 . 13 1 1 A 20 20 ASP CB C 20 39.986 41.995 -2.009 1
1 174 . 13 1 1 A 20 20 ASP N N 20 120.434 120.526 -0.092 1
1 175 . 13 1 1 A 21 21 GLU H H 21 8.150 8.196 -0.046 1
1 176 . 13 1 1 A 21 21 GLU HA H 21 4.168 4.050 0.118 1
1 181 . 13 1 1 A 21 21 GLU C C 21 179.405 179.537 -0.132 1
1 182 . 13 1 1 A 21 21 GLU CA C 21 59.477 59.408 0.069 1
1 183 . 13 1 1 A 21 21 GLU CB C 21 29.441 29.443 -0.002 1
1 185 . 13 1 1 A 21 21 GLU N N 21 122.159 118.903 3.256 1
1 186 . 13 1 1 A 22 22 VAL H H 22 8.754 8.010 0.744 1
1 187 . 13 1 1 A 22 22 VAL HA H 22 3.484 3.676 -0.192 1
1 195 . 13 1 1 A 22 22 VAL C C 22 179.177 178.751 0.426 1
1 196 . 13 1 1 A 22 22 VAL CA C 22 67.545 66.223 1.322 1
1 197 . 13 1 1 A 22 22 VAL CB C 22 31.712 31.603 0.109 1
1 200 . 13 1 1 A 22 22 VAL N N 22 121.967 120.414 1.553 1
1 201 . 13 1 1 A 23 23 THR H H 23 8.410 8.189 0.221 1
1 202 . 13 1 1 A 23 23 THR HA H 23 3.888 3.867 0.021 1
1 207 . 13 1 1 A 23 23 THR C C 23 176.515 176.107 0.408 1
1 208 . 13 1 1 A 23 23 THR CA C 23 66.706 67.043 -0.337 1
1 209 . 13 1 1 A 23 23 THR CB C 23 68.646 68.767 -0.121 1
1 211 . 13 1 1 A 23 23 THR N N 23 119.619 117.047 2.572 1
1 212 . 13 1 1 A 24 24 LYS H H 24 8.179 8.444 -0.265 1
1 213 . 13 1 1 A 24 24 LYS HA H 24 4.055 3.880 0.175 1
1 219 . 13 1 1 A 24 24 LYS C C 24 179.223 178.312 0.911 1
1 220 . 13 1 1 A 24 24 LYS CA C 24 59.865 59.743 0.122 1
1 221 . 13 1 1 A 24 24 LYS CB C 24 32.733 32.225 0.508 1
1 225 . 13 1 1 A 24 24 LYS N N 24 122.464 121.346 1.118 1
1 226 . 13 1 1 A 25 25 GLN H H 25 8.791 8.435 0.356 1
1 227 . 13 1 1 A 25 25 GLN HA H 25 4.266 3.996 0.270 1
1 234 . 13 1 1 A 25 25 GLN C C 25 178.359 178.741 -0.382 1
1 235 . 13 1 1 A 25 25 GLN CA C 25 57.273 59.483 -2.210 1
1 236 . 13 1 1 A 25 25 GLN CB C 25 26.830 28.694 -1.864 1
1 238 . 13 1 1 A 25 25 GLN N N 25 120.181 118.638 1.543 1
1 240 . 13 1 1 A 26 26 GLY H H 26 8.828 8.112 0.716 1
1 241 . 13 1 1 A 26 26 GLY HA2 H 26 4.099 3.798 0.301 1
1 242 . 13 1 1 A 26 26 GLY HA3 H 26 3.788 3.798 -0.010 1
1 243 . 13 1 1 A 26 26 GLY C C 26 176.618 176.314 0.304 1
1 244 . 13 1 1 A 26 26 GLY CA C 26 47.161 47.382 -0.221 1
1 245 . 13 1 1 A 26 26 GLY N N 26 108.597 107.491 1.106 1
1 246 . 13 1 1 A 27 27 ASN H H 27 7.910 7.983 -0.073 1
1 247 . 13 1 1 A 27 27 ASN HA H 27 4.582 4.418 0.164 1
1 252 . 13 1 1 A 27 27 ASN C C 27 177.317 178.005 -0.688 1
1 253 . 13 1 1 A 27 27 ASN CA C 27 56.074 55.611 0.463 1
1 254 . 13 1 1 A 27 27 ASN CB C 27 37.729 38.673 -0.944 1
1 255 . 13 1 1 A 27 27 ASN N N 27 121.818 120.039 1.779 1
1 257 . 13 1 1 A 28 28 ILE H H 28 7.811 8.143 -0.332 1
1 258 . 13 1 1 A 28 28 ILE HA H 28 3.789 3.663 0.126 1
1 268 . 13 1 1 A 28 28 ILE C C 28 178.445 178.535 -0.090 1
1 269 . 13 1 1 A 28 28 ILE CA C 28 65.117 65.192 -0.075 1
1 270 . 13 1 1 A 28 28 ILE CB C 28 37.914 37.941 -0.027 1
1 274 . 13 1 1 A 28 28 ILE N N 28 123.083 120.381 2.702 1
1 275 . 13 1 1 A 29 29 VAL H H 29 8.018 8.063 -0.045 1
1 276 . 13 1 1 A 29 29 VAL HA H 29 3.399 3.575 -0.176 1
1 284 . 13 1 1 A 29 29 VAL C C 29 176.953 177.934 -0.981 1
1 285 . 13 1 1 A 29 29 VAL CA C 29 67.541 66.637 0.904 1
1 286 . 13 1 1 A 29 29 VAL CB C 29 32.013 31.441 0.572 1
1 289 . 13 1 1 A 29 29 VAL N N 29 119.117 120.131 -1.014 1
1 290 . 13 1 1 A 30 30 ARG H H 30 7.965 7.613 0.352 1
1 291 . 13 1 1 A 30 30 ARG HA H 30 3.928 3.946 -0.018 1
1 298 . 13 1 1 A 30 30 ARG C C 30 179.609 178.300 1.309 1
1 299 . 13 1 1 A 30 30 ARG CA C 30 60.006 59.947 0.059 1
1 300 . 13 1 1 A 30 30 ARG CB C 30 30.302 29.983 0.319 1
1 303 . 13 1 1 A 30 30 ARG N N 30 118.510 119.758 -1.248 1
1 304 . 13 1 1 A 31 31 GLU H H 31 8.211 8.217 -0.006 1
1 305 . 13 1 1 A 31 31 GLU HA H 31 4.167 4.092 0.075 1
1 310 . 13 1 1 A 31 31 GLU C C 31 178.910 179.095 -0.185 1
1 311 . 13 1 1 A 31 31 GLU CA C 31 59.195 59.154 0.041 1
1 312 . 13 1 1 A 31 31 GLU CB C 31 29.437 29.372 0.065 1
1 314 . 13 1 1 A 31 31 GLU N N 31 120.110 117.475 2.635 1
1 315 . 13 1 1 A 32 32 LEU H H 32 8.287 8.326 -0.039 1
1 316 . 13 1 1 A 32 32 LEU HA H 32 4.021 3.939 0.082 1
1 326 . 13 1 1 A 32 32 LEU C C 32 179.931 178.951 0.980 1
1 327 . 13 1 1 A 32 32 LEU CA C 32 57.979 57.580 0.399 1
1 328 . 13 1 1 A 32 32 LEU CB C 32 42.524 41.700 0.824 1
1 332 . 13 1 1 A 32 32 LEU N N 32 120.148 121.631 -1.483 1
1 333 . 13 1 1 A 33 33 LYS H H 33 8.205 7.903 0.302 1
1 334 . 13 1 1 A 33 33 LYS HA H 33 4.048 3.899 0.149 1
1 343 . 13 1 1 A 33 33 LYS C C 33 180.739 179.637 1.102 1
1 344 . 13 1 1 A 33 33 LYS CA C 33 59.883 60.169 -0.286 1
1 345 . 13 1 1 A 33 33 LYS CB C 33 32.569 32.346 0.223 1
1 349 . 13 1 1 A 33 33 LYS N N 33 117.234 117.329 -0.095 1
1 350 . 13 1 1 A 34 34 ALA H H 34 8.101 7.701 0.400 1
1 351 . 13 1 1 A 34 34 ALA HA H 34 4.185 4.049 0.136 1
1 355 . 13 1 1 A 34 34 ALA C C 34 179.304 179.089 0.215 1
1 356 . 13 1 1 A 34 34 ALA CA C 34 54.734 54.587 0.147 1
1 357 . 13 1 1 A 34 34 ALA CB C 34 18.190 18.098 0.092 1
1 358 . 13 1 1 A 34 34 ALA N N 34 123.540 121.391 2.149 1
1 359 . 13 1 1 A 35 35 GLN H H 35 7.815 7.689 0.126 1
1 360 . 13 1 1 A 35 35 GLN HA H 35 4.299 4.438 -0.139 1
1 367 . 13 1 1 A 35 35 GLN C C 35 175.344 174.450 0.894 1
1 368 . 13 1 1 A 35 35 GLN CA C 35 55.342 55.378 -0.036 1
1 369 . 13 1 1 A 35 35 GLN CB C 35 28.819 28.493 0.326 1
1 371 . 13 1 1 A 35 35 GLN N N 35 115.126 114.814 0.312 1
1 373 . 13 1 1 A 36 36 LYS H H 36 7.948 7.630 0.318 1
1 374 . 13 1 1 A 36 36 LYS HA H 36 3.963 3.799 0.164 1
1 382 . 13 1 1 A 36 36 LYS C C 36 175.883 175.524 0.359 1
1 383 . 13 1 1 A 36 36 LYS CA C 36 56.872 57.203 -0.331 1
1 384 . 13 1 1 A 36 36 LYS CB C 36 28.917 29.651 -0.734 1
1 388 . 13 1 1 A 36 36 LYS N N 36 117.310 115.713 1.597 1
1 389 . 13 1 1 A 37 37 ALA H H 37 7.646 7.444 0.202 1
1 390 . 13 1 1 A 37 37 ALA HA H 37 4.226 4.301 -0.075 1
1 394 . 13 1 1 A 37 37 ALA C C 37 176.094 176.515 -0.421 1
1 395 . 13 1 1 A 37 37 ALA CA C 37 52.143 52.458 -0.315 1
1 396 . 13 1 1 A 37 37 ALA CB C 37 20.742 19.647 1.095 1
1 397 . 13 1 1 A 37 37 ALA N N 37 120.112 119.533 0.579 1
1 398 . 13 1 1 A 38 38 ASP H H 38 8.474 8.525 -0.051 1
1 399 . 13 1 1 A 38 38 ASP HA H 38 4.387 4.397 -0.010 1
1 402 . 13 1 1 A 38 38 ASP C C 38 177.481 177.431 0.050 1
1 403 . 13 1 1 A 38 38 ASP CA C 38 54.992 54.519 0.473 1
1 404 . 13 1 1 A 38 38 ASP CB C 38 43.156 43.135 0.021 1
1 405 . 13 1 1 A 38 38 ASP N N 38 119.141 121.530 -2.389 1
1 406 . 13 1 1 A 39 39 LYS H H 39 8.703 8.692 0.011 1
1 407 . 13 1 1 A 39 39 LYS HA H 39 3.967 4.053 -0.086 1
1 414 . 13 1 1 A 39 39 LYS C C 39 178.806 178.467 0.339 1
1 415 . 13 1 1 A 39 39 LYS CA C 39 59.547 59.431 0.116 1
1 416 . 13 1 1 A 39 39 LYS CB C 39 32.222 31.888 0.334 1
1 420 . 13 1 1 A 39 39 LYS N N 39 124.290 124.582 -0.292 1
1 421 . 13 1 1 A 40 40 ASN H H 40 8.873 8.064 0.809 1
1 422 . 13 1 1 A 40 40 ASN HA H 40 4.571 4.407 0.164 1
1 427 . 13 1 1 A 40 40 ASN C C 40 178.014 177.942 0.072 1
1 428 . 13 1 1 A 40 40 ASN CA C 40 56.091 56.618 -0.527 1
1 429 . 13 1 1 A 40 40 ASN CB C 40 37.900 39.157 -1.257 1
1 430 . 13 1 1 A 40 40 ASN N N 40 119.722 118.501 1.221 1
1 432 . 13 1 1 A 41 41 GLU H H 41 7.881 7.811 0.070 1
1 433 . 13 1 1 A 41 41 GLU HA H 41 4.192 4.028 0.164 1
1 438 . 13 1 1 A 41 41 GLU C C 41 178.917 179.553 -0.636 1
1 439 . 13 1 1 A 41 41 GLU CA C 41 59.213 59.324 -0.111 1
1 440 . 13 1 1 A 41 41 GLU CB C 41 29.520 29.584 -0.064 1
1 442 . 13 1 1 A 41 41 GLU N N 41 124.025 118.441 5.584 1
1 443 . 13 1 1 A 42 42 VAL H H 42 8.061 7.875 0.186 1
1 444 . 13 1 1 A 42 42 VAL HA H 42 3.397 3.578 -0.181 1
1 452 . 13 1 1 A 42 42 VAL C C 42 177.701 177.874 -0.173 1
1 453 . 13 1 1 A 42 42 VAL CA C 42 67.341 66.228 1.113 1
1 454 . 13 1 1 A 42 42 VAL CB C 42 32.075 31.578 0.497 1
1 457 . 13 1 1 A 42 42 VAL N N 42 117.921 121.002 -3.081 1
1 458 . 13 1 1 A 43 43 ALA H H 43 8.136 8.486 -0.350 1
1 459 . 13 1 1 A 43 43 ALA HA H 43 4.101 3.949 0.152 1
1 463 . 13 1 1 A 43 43 ALA C C 43 180.808 179.626 1.182 1
1 464 . 13 1 1 A 43 43 ALA CA C 43 55.404 55.591 -0.187 1
1 465 . 13 1 1 A 43 43 ALA CB C 43 17.722 18.533 -0.811 1
1 466 . 13 1 1 A 43 43 ALA N N 43 119.833 122.249 -2.416 1
1 467 . 13 1 1 A 44 44 ALA H H 44 7.664 8.044 -0.380 1
1 468 . 13 1 1 A 44 44 ALA HA H 44 4.234 4.015 0.219 1
1 472 . 13 1 1 A 44 44 ALA C C 44 180.953 180.402 0.551 1
1 473 . 13 1 1 A 44 44 ALA CA C 44 55.122 55.403 -0.281 1
1 474 . 13 1 1 A 44 44 ALA CB C 44 18.229 18.456 -0.227 1
1 475 . 13 1 1 A 44 44 ALA N N 44 121.026 119.609 1.417 1
1 476 . 13 1 1 A 45 45 GLU H H 45 7.837 7.648 0.189 1
1 477 . 13 1 1 A 45 45 GLU HA H 45 4.447 4.032 0.415 1
1 482 . 13 1 1 A 45 45 GLU C C 45 180.357 179.663 0.694 1
1 483 . 13 1 1 A 45 45 GLU CA C 45 57.467 59.510 -2.043 1
1 484 . 13 1 1 A 45 45 GLU CB C 45 28.255 29.460 -1.205 1
1 486 . 13 1 1 A 45 45 GLU N N 45 118.409 118.261 0.148 1
1 487 . 13 1 1 A 46 46 VAL H H 46 9.024 8.362 0.662 1
1 488 . 13 1 1 A 46 46 VAL HA H 46 3.638 3.615 0.023 1
1 496 . 13 1 1 A 46 46 VAL C C 46 177.712 178.016 -0.304 1
1 497 . 13 1 1 A 46 46 VAL CA C 46 66.961 66.293 0.668 1
1 498 . 13 1 1 A 46 46 VAL CB C 46 31.910 31.678 0.232 1
1 501 . 13 1 1 A 46 46 VAL N N 46 124.975 121.230 3.745 1
1 502 . 13 1 1 A 47 47 ALA H H 47 8.130 8.694 -0.564 1
1 503 . 13 1 1 A 47 47 ALA HA H 47 4.093 4.008 0.085 1
1 507 . 13 1 1 A 47 47 ALA C C 47 180.853 179.682 1.171 1
1 508 . 13 1 1 A 47 47 ALA CA C 47 55.545 55.479 0.066 1
1 509 . 13 1 1 A 47 47 ALA CB C 47 17.683 18.308 -0.625 1
1 510 . 13 1 1 A 47 47 ALA N N 47 122.493 122.067 0.426 1
1 511 . 13 1 1 A 48 48 LYS H H 48 7.442 7.860 -0.418 1
1 512 . 13 1 1 A 48 48 LYS HA H 48 4.183 4.078 0.105 1
1 521 . 13 1 1 A 48 48 LYS C C 48 178.698 178.756 -0.058 1
1 522 . 13 1 1 A 48 48 LYS CA C 48 59.389 59.157 0.232 1
1 523 . 13 1 1 A 48 48 LYS CB C 48 32.610 32.120 0.490 1
1 527 . 13 1 1 A 48 48 LYS N N 48 118.186 117.128 1.058 1
1 528 . 13 1 1 A 49 49 LEU H H 49 7.822 7.955 -0.133 1
1 529 . 13 1 1 A 49 49 LEU HA H 49 4.012 4.057 -0.045 1
1 539 . 13 1 1 A 49 49 LEU C C 49 177.582 178.264 -0.682 1
1 540 . 13 1 1 A 49 49 LEU CA C 49 58.490 57.932 0.558 1
1 541 . 13 1 1 A 49 49 LEU CB C 49 42.119 41.468 0.651 1
1 545 . 13 1 1 A 49 49 LEU N N 49 120.499 121.312 -0.813 1
1 546 . 13 1 1 A 50 50 LEU H H 50 8.565 8.206 0.359 1
1 547 . 13 1 1 A 50 50 LEU HA H 50 3.994 3.908 0.086 1
1 557 . 13 1 1 A 50 50 LEU C C 50 180.128 178.789 1.339 1
1 558 . 13 1 1 A 50 50 LEU CA C 50 58.330 57.981 0.349 1
1 559 . 13 1 1 A 50 50 LEU CB C 50 41.060 41.371 -0.311 1
1 563 . 13 1 1 A 50 50 LEU N N 50 118.622 118.253 0.369 1
1 564 . 13 1 1 A 51 51 ASP H H 51 7.962 7.688 0.274 1
1 565 . 13 1 1 A 51 51 ASP HA H 51 4.480 4.399 0.081 1
1 568 . 13 1 1 A 51 51 ASP C C 51 178.808 179.327 -0.519 1
1 569 . 13 1 1 A 51 51 ASP CA C 51 57.802 57.190 0.612 1
1 570 . 13 1 1 A 51 51 ASP CB C 51 41.435 40.535 0.900 1
1 571 . 13 1 1 A 51 51 ASP N N 51 120.483 119.209 1.274 1
1 572 . 13 1 1 A 52 52 LEU H H 52 8.228 8.207 0.021 1
1 573 . 13 1 1 A 52 52 LEU HA H 52 4.006 4.029 -0.023 1
1 583 . 13 1 1 A 52 52 LEU C C 52 179.173 179.588 -0.415 1
1 584 . 13 1 1 A 52 52 LEU CA C 52 58.190 57.612 0.578 1
1 585 . 13 1 1 A 52 52 LEU CB C 52 43.222 40.787 2.435 1
1 589 . 13 1 1 A 52 52 LEU N N 52 121.105 121.119 -0.014 1
1 590 . 13 1 1 A 53 53 LYS H H 53 8.531 7.833 0.698 1
1 591 . 13 1 1 A 53 53 LYS HA H 53 3.872 4.001 -0.129 1
1 600 . 13 1 1 A 53 53 LYS C C 53 179.984 178.998 0.986 1
1 601 . 13 1 1 A 53 53 LYS CA C 53 60.699 59.857 0.842 1
1 602 . 13 1 1 A 53 53 LYS CB C 53 32.239 32.141 0.098 1
1 606 . 13 1 1 A 53 53 LYS N N 53 118.013 118.845 -0.832 1
1 607 . 13 1 1 A 54 54 LYS H H 54 8.090 7.607 0.483 1
1 608 . 13 1 1 A 54 54 LYS HA H 54 4.165 4.134 0.031 1
1 616 . 13 1 1 A 54 54 LYS C C 54 178.638 179.156 -0.518 1
1 617 . 13 1 1 A 54 54 LYS CA C 54 59.847 59.062 0.785 1
1 618 . 13 1 1 A 54 54 LYS CB C 54 32.116 32.279 -0.163 1
1 622 . 13 1 1 A 54 54 LYS N N 54 122.616 118.637 3.979 1
1 623 . 13 1 1 A 55 55 GLN H H 55 8.214 8.353 -0.139 1
1 624 . 13 1 1 A 55 55 GLN HA H 55 3.976 4.044 -0.068 1
1 631 . 13 1 1 A 55 55 GLN C C 55 179.696 178.326 1.370 1
1 632 . 13 1 1 A 55 55 GLN CA C 55 59.177 58.730 0.447 1
1 633 . 13 1 1 A 55 55 GLN CB C 55 29.400 28.076 1.324 1
1 635 . 13 1 1 A 55 55 GLN N N 55 119.132 119.350 -0.218 1
1 637 . 13 1 1 A 56 56 LEU H H 56 8.506 7.810 0.696 1
1 638 . 13 1 1 A 56 56 LEU HA H 56 4.116 4.068 0.048 1
1 648 . 13 1 1 A 56 56 LEU C C 56 176.782 178.080 -1.298 1
1 649 . 13 1 1 A 56 56 LEU CA C 56 57.925 58.292 -0.367 1
1 650 . 13 1 1 A 56 56 LEU CB C 56 41.465 41.886 -0.421 1
1 654 . 13 1 1 A 56 56 LEU N N 56 122.033 121.917 0.116 1
1 655 . 13 1 1 A 57 57 ALA H H 57 7.896 8.271 -0.375 1
1 656 . 13 1 1 A 57 57 ALA HA H 57 4.232 4.056 0.176 1
1 660 . 13 1 1 A 57 57 ALA C C 57 180.928 179.850 1.078 1
1 661 . 13 1 1 A 57 57 ALA CA C 57 55.246 55.415 -0.169 1
1 662 . 13 1 1 A 57 57 ALA CB C 57 17.776 18.635 -0.859 1
1 663 . 13 1 1 A 57 57 ALA N N 57 121.379 120.408 0.971 1
1 664 . 13 1 1 A 58 58 VAL H H 58 7.973 8.208 -0.235 1
1 665 . 13 1 1 A 58 58 VAL HA H 58 3.761 3.578 0.183 1
1 673 . 13 1 1 A 58 58 VAL C C 58 179.410 177.817 1.593 1
1 674 . 13 1 1 A 58 58 VAL CA C 58 65.807 66.774 -0.967 1
1 675 . 13 1 1 A 58 58 VAL CB C 58 31.978 31.566 0.412 1
1 678 . 13 1 1 A 58 58 VAL N N 58 117.592 118.020 -0.428 1
1 679 . 13 1 1 A 59 59 ALA H H 59 8.024 8.109 -0.085 1
1 680 . 13 1 1 A 59 59 ALA HA H 59 4.133 4.020 0.113 1
1 684 . 13 1 1 A 59 59 ALA C C 59 179.359 180.275 -0.916 1
1 685 . 13 1 1 A 59 59 ALA CA C 59 54.805 55.550 -0.745 1
1 686 . 13 1 1 A 59 59 ALA CB C 59 18.513 18.470 0.043 1
1 687 . 13 1 1 A 59 59 ALA N N 59 124.023 121.598 2.425 1
1 688 . 13 1 1 A 60 60 GLU H H 60 8.334 7.703 0.631 1
1 689 . 13 1 1 A 60 60 GLU HA H 60 4.143 4.118 0.025 1
1 694 . 13 1 1 A 60 60 GLU C C 60 177.391 177.103 0.288 1
1 695 . 13 1 1 A 60 60 GLU CA C 60 57.915 56.904 1.011 1
1 696 . 13 1 1 A 60 60 GLU CB C 60 30.962 29.691 1.271 1
1 698 . 13 1 1 A 60 60 GLU N N 60 115.335 115.390 -0.055 1
1 699 . 13 1 1 A 61 61 GLY H H 61 7.845 8.425 -0.580 1
1 700 . 13 1 1 A 61 61 GLY HA2 H 61 3.958 3.935 0.023 1
1 701 . 13 1 1 A 61 61 GLY HA3 H 61 3.958 3.935 0.023 1
1 702 . 13 1 1 A 61 61 GLY C C 61 174.090 174.248 -0.158 1
1 703 . 13 1 1 A 61 61 GLY CA C 61 45.654 45.585 0.069 1
1 704 . 13 1 1 A 61 61 GLY N N 61 107.486 107.972 -0.486 1
1 705 . 13 1 1 A 62 62 LYS H H 62 8.068 7.567 0.501 1
1 706 . 13 1 1 A 62 62 LYS HA H 62 4.612 4.748 -0.136 1
1 715 . 13 1 1 A 62 62 LYS C C 62 174.023 174.468 -0.445 1
1 716 . 13 1 1 A 62 62 LYS CA C 62 54.147 53.274 0.873 1
1 717 . 13 1 1 A 62 62 LYS CB C 62 32.651 32.754 -0.103 1
1 721 . 13 1 1 A 62 62 LYS N N 62 121.672 120.035 1.637 1
1 722 . 13 1 1 A 63 63 PRO HA H 63 4.692 4.666 0.026 1
1 729 . 13 1 1 A 63 63 PRO CA C 63 61.351 62.703 -1.352 1
1 730 . 13 1 1 A 63 63 PRO CB C 63 30.892 31.568 -0.676 1
1 733 . 13 1 1 A 64 64 PRO HA H 64 4.408 4.456 -0.048 1
1 740 . 13 1 1 A 64 64 PRO C C 64 176.775 177.060 -0.285 1
1 741 . 13 1 1 A 64 64 PRO CA C 64 62.926 63.115 -0.189 1
1 742 . 13 1 1 A 64 64 PRO CB C 64 32.074 31.250 0.824 1
1 745 . 13 1 1 A 65 65 GLU H H 65 8.396 8.780 -0.384 1
1 746 . 13 1 1 A 65 65 GLU HA H 65 4.243 4.086 0.157 1
1 751 . 13 1 1 A 65 65 GLU C C 65 175.888 176.603 -0.715 1
1 752 . 13 1 1 A 65 65 GLU CA C 65 56.083 57.503 -1.420 1
1 753 . 13 1 1 A 65 65 GLU CB C 65 30.722 27.212 3.510 1
1 755 . 13 1 1 A 65 65 GLU N N 65 121.093 117.150 3.943 1
1 756 . 13 1 1 A 66 66 ALA H H 66 8.434 7.867 0.567 1
1 757 . 13 1 1 A 66 66 ALA HA H 66 4.583 4.095 0.488 1
1 761 . 13 1 1 A 66 66 ALA C C 66 175.504 176.205 -0.701 1
1 762 . 13 1 1 A 66 66 ALA CA C 66 50.482 56.836 -6.354 1
1 763 . 13 1 1 A 66 66 ALA CB C 66 18.108 18.231 -0.123 1
1 764 . 13 1 1 A 66 66 ALA N N 66 127.348 119.990 7.358 1
1 765 . 13 1 1 A 67 67 PRO HA H 67 4.408 4.297 0.111 1
1 772 . 13 1 1 A 67 67 PRO C C 67 177.111 175.956 1.155 1
1 773 . 13 1 1 A 67 67 PRO CA C 67 63.056 65.068 -2.012 1
1 774 . 13 1 1 A 67 67 PRO CB C 67 32.074 31.901 0.173 1
1 777 . 13 1 1 A 68 68 LYS H H 68 8.479 7.730 0.749 1
1 778 . 13 1 1 A 68 68 LYS HA H 68 4.291 4.863 -0.572 1
1 787 . 13 1 1 A 68 68 LYS C C 68 177.292 175.160 2.132 1
1 788 . 13 1 1 A 68 68 LYS CA C 68 56.322 54.758 1.564 1
1 789 . 13 1 1 A 68 68 LYS CB C 68 33.146 36.004 -2.858 1
1 793 . 13 1 1 A 68 68 LYS N N 68 121.836 112.403 9.433 1
1 794 . 13 1 1 A 69 69 GLY H H 69 8.387 8.407 -0.020 1
1 795 . 13 1 1 A 69 69 GLY HA2 H 69 3.948 4.237 -0.289 1
1 796 . 13 1 1 A 69 69 GLY HA3 H 69 3.948 4.237 -0.289 1
1 797 . 13 1 1 A 69 69 GLY C C 69 173.940 173.182 0.758 1
1 798 . 13 1 1 A 69 69 GLY CA C 69 45.160 45.147 0.013 1
1 799 . 13 1 1 A 69 69 GLY N N 69 109.796 107.153 2.643 1
1 800 . 13 1 1 A 70 70 LYS H H 70 8.196 8.204 -0.008 1
1 801 . 13 1 1 A 70 70 LYS HA H 70 4.318 4.203 0.115 1
1 810 . 13 1 1 A 70 70 LYS C C 70 176.642 175.493 1.149 1
1 811 . 13 1 1 A 70 70 LYS CA C 70 56.127 56.493 -0.366 1
1 812 . 13 1 1 A 70 70 LYS CB C 70 33.272 32.711 0.561 1
1 816 . 13 1 1 A 70 70 LYS N N 70 121.044 119.565 1.479 1
1 817 . 13 1 1 A 71 71 LYS H H 71 8.348 8.574 -0.226 1
1 818 . 13 1 1 A 71 71 LYS HA H 71 4.273 5.037 -0.764 1
1 827 . 13 1 1 A 71 71 LYS C C 71 176.548 175.372 1.176 1
1 828 . 13 1 1 A 71 71 LYS CA C 71 56.285 54.803 1.482 1
1 829 . 13 1 1 A 71 71 LYS CB C 71 33.270 34.492 -1.222 1
1 833 . 13 1 1 A 71 71 LYS N N 71 123.152 122.973 0.179 1
1 834 . 13 1 1 A 72 72 LYS H H 72 8.405 8.744 -0.339 1
1 835 . 13 1 1 A 72 72 LYS HA H 72 4.273 5.027 -0.754 1
1 836 . 13 1 1 A 72 72 LYS C C 72 176.499 174.939 1.560 1
1 837 . 13 1 1 A 72 72 LYS CA C 72 56.356 54.788 1.568 1
1 838 . 13 1 1 A 72 72 LYS CB C 72 33.146 35.523 -2.377 1
1 1 . 14 1 1 A 7 7 GLY HA2 H 7 4.042 4.362 -0.320 1
1 2 . 14 1 1 A 7 7 GLY HA3 H 7 4.042 4.362 -0.320 1
1 3 . 14 1 1 A 7 7 GLY C C 7 174.377 171.892 2.485 1
1 4 . 14 1 1 A 7 7 GLY CA C 7 45.425 45.190 0.235 1
1 5 . 14 1 1 A 8 8 THR H H 8 8.131 8.880 -0.749 1
1 6 . 14 1 1 A 8 8 THR HA H 8 4.448 5.044 -0.596 1
1 11 . 14 1 1 A 8 8 THR C C 8 174.773 172.700 2.073 1
1 12 . 14 1 1 A 8 8 THR CA C 8 61.787 61.386 0.401 1
1 13 . 14 1 1 A 8 8 THR CB C 8 69.913 70.929 -1.016 1
1 15 . 14 1 1 A 8 8 THR N N 8 113.630 119.195 -5.565 1
1 16 . 14 1 1 A 9 9 THR H H 9 8.180 9.202 -1.022 1
1 17 . 14 1 1 A 9 9 THR HA H 9 4.355 4.875 -0.520 1
1 22 . 14 1 1 A 9 9 THR C C 9 174.203 173.450 0.753 1
1 23 . 14 1 1 A 9 9 THR CA C 9 61.892 60.647 1.245 1
1 24 . 14 1 1 A 9 9 THR CB C 9 69.891 70.911 -1.020 1
1 26 . 14 1 1 A 9 9 THR N N 9 116.604 123.342 -6.738 1
1 27 . 14 1 1 A 10 10 ALA H H 10 8.405 8.435 -0.030 1
1 28 . 14 1 1 A 10 10 ALA HA H 10 4.376 4.792 -0.416 1
1 32 . 14 1 1 A 10 10 ALA C C 10 177.430 177.350 0.080 1
1 33 . 14 1 1 A 10 10 ALA CA C 10 52.317 50.077 2.240 1
1 34 . 14 1 1 A 10 10 ALA CB C 10 19.506 22.767 -3.261 1
1 35 . 14 1 1 A 10 10 ALA N N 10 126.934 131.579 -4.645 1
1 36 . 14 1 1 A 11 11 LYS H H 11 8.462 9.279 -0.817 1
1 37 . 14 1 1 A 11 11 LYS HA H 11 4.575 3.984 0.591 1
1 46 . 14 1 1 A 11 11 LYS C C 11 174.921 176.435 -1.514 1
1 47 . 14 1 1 A 11 11 LYS CA C 11 55.122 61.446 -6.324 1
1 48 . 14 1 1 A 11 11 LYS CB C 11 31.910 30.510 1.400 1
1 52 . 14 1 1 A 11 11 LYS N N 11 121.526 119.843 1.683 1
1 53 . 14 1 1 A 12 12 PRO HA H 12 4.363 4.421 -0.058 1
1 60 . 14 1 1 A 12 12 PRO C C 12 178.290 178.628 -0.338 1
1 61 . 14 1 1 A 12 12 PRO CA C 12 64.502 64.712 -0.210 1
1 62 . 14 1 1 A 12 12 PRO CB C 12 31.992 31.379 0.613 1
1 65 . 14 1 1 A 13 13 GLN H H 13 8.665 8.278 0.387 1
1 66 . 14 1 1 A 13 13 GLN HA H 13 4.158 4.228 -0.070 1
1 73 . 14 1 1 A 13 13 GLN C C 13 177.727 177.711 0.016 1
1 74 . 14 1 1 A 13 13 GLN CA C 13 58.366 58.597 -0.231 1
1 75 . 14 1 1 A 13 13 GLN CB C 13 28.584 29.100 -0.516 1
1 77 . 14 1 1 A 13 13 GLN N N 13 119.964 117.735 2.229 1
1 79 . 14 1 1 A 14 14 GLN H H 14 8.376 8.144 0.232 1
1 80 . 14 1 1 A 14 14 GLN HA H 14 4.217 4.069 0.148 1
1 87 . 14 1 1 A 14 14 GLN C C 14 178.304 178.230 0.074 1
1 88 . 14 1 1 A 14 14 GLN CA C 14 58.190 58.457 -0.267 1
1 89 . 14 1 1 A 14 14 GLN CB C 14 28.639 28.091 0.548 1
1 91 . 14 1 1 A 14 14 GLN N N 14 120.039 117.117 2.922 1
1 93 . 14 1 1 A 15 15 ILE H H 15 7.802 7.766 0.036 1
1 94 . 14 1 1 A 15 15 ILE HA H 15 3.654 3.642 0.012 1
1 104 . 14 1 1 A 15 15 ILE C C 15 177.183 177.938 -0.755 1
1 105 . 14 1 1 A 15 15 ILE CA C 15 64.643 64.686 -0.043 1
1 106 . 14 1 1 A 15 15 ILE CB C 15 37.828 37.898 -0.070 1
1 110 . 14 1 1 A 15 15 ILE N N 15 119.981 121.311 -1.330 1
1 111 . 14 1 1 A 16 16 GLN H H 16 8.159 8.091 0.068 1
1 112 . 14 1 1 A 16 16 GLN HA H 16 3.958 3.989 -0.031 1
1 119 . 14 1 1 A 16 16 GLN C C 16 177.647 177.990 -0.343 1
1 120 . 14 1 1 A 16 16 GLN CA C 16 58.648 59.104 -0.456 1
1 121 . 14 1 1 A 16 16 GLN CB C 16 28.531 28.320 0.211 1
1 123 . 14 1 1 A 16 16 GLN N N 16 119.695 119.885 -0.190 1
1 125 . 14 1 1 A 17 17 ALA H H 17 7.946 7.642 0.304 1
1 126 . 14 1 1 A 17 17 ALA HA H 17 4.239 4.062 0.177 1
1 130 . 14 1 1 A 17 17 ALA C C 17 180.910 179.845 1.065 1
1 131 . 14 1 1 A 17 17 ALA CA C 17 55.106 54.928 0.178 1
1 132 . 14 1 1 A 17 17 ALA CB C 17 17.990 17.982 0.008 1
1 133 . 14 1 1 A 17 17 ALA N N 17 120.227 121.751 -1.524 1
1 134 . 14 1 1 A 18 18 LEU H H 18 7.682 8.353 -0.671 1
1 135 . 14 1 1 A 18 18 LEU HA H 18 4.187 3.883 0.304 1
1 145 . 14 1 1 A 18 18 LEU C C 18 178.977 179.274 -0.297 1
1 146 . 14 1 1 A 18 18 LEU CA C 18 57.890 58.064 -0.174 1
1 147 . 14 1 1 A 18 18 LEU CB C 18 43.361 41.513 1.848 1
1 151 . 14 1 1 A 18 18 LEU N N 18 119.764 119.000 0.764 1
1 152 . 14 1 1 A 19 19 MET H H 19 8.699 8.207 0.492 1
1 153 . 14 1 1 A 19 19 MET HA H 19 3.965 4.131 -0.166 1
1 161 . 14 1 1 A 19 19 MET C C 19 179.207 178.147 1.060 1
1 162 . 14 1 1 A 19 19 MET CA C 19 59.794 58.659 1.135 1
1 163 . 14 1 1 A 19 19 MET CB C 19 32.445 32.631 -0.186 1
1 166 . 14 1 1 A 19 19 MET N N 19 119.982 116.975 3.007 1
1 167 . 14 1 1 A 20 20 ASP H H 20 8.435 7.829 0.606 1
1 168 . 14 1 1 A 20 20 ASP HA H 20 4.453 4.288 0.165 1
1 171 . 14 1 1 A 20 20 ASP C C 20 179.127 178.200 0.927 1
1 172 . 14 1 1 A 20 20 ASP CA C 20 57.449 57.500 -0.051 1
1 173 . 14 1 1 A 20 20 ASP CB C 20 39.986 41.461 -1.475 1
1 174 . 14 1 1 A 20 20 ASP N N 20 120.434 120.557 -0.123 1
1 175 . 14 1 1 A 21 21 GLU H H 21 8.150 7.914 0.236 1
1 176 . 14 1 1 A 21 21 GLU HA H 21 4.168 4.014 0.154 1
1 181 . 14 1 1 A 21 21 GLU C C 21 179.405 179.001 0.404 1
1 182 . 14 1 1 A 21 21 GLU CA C 21 59.477 59.578 -0.101 1
1 183 . 14 1 1 A 21 21 GLU CB C 21 29.441 29.386 0.055 1
1 185 . 14 1 1 A 21 21 GLU N N 21 122.159 118.523 3.636 1
1 186 . 14 1 1 A 22 22 VAL H H 22 8.754 7.730 1.024 1
1 187 . 14 1 1 A 22 22 VAL HA H 22 3.484 3.607 -0.123 1
1 195 . 14 1 1 A 22 22 VAL C C 22 179.177 178.565 0.612 1
1 196 . 14 1 1 A 22 22 VAL CA C 22 67.545 66.366 1.179 1
1 197 . 14 1 1 A 22 22 VAL CB C 22 31.712 31.688 0.024 1
1 200 . 14 1 1 A 22 22 VAL N N 22 121.967 120.415 1.552 1
1 201 . 14 1 1 A 23 23 THR H H 23 8.410 8.042 0.368 1
1 202 . 14 1 1 A 23 23 THR HA H 23 3.888 3.769 0.119 1
1 207 . 14 1 1 A 23 23 THR C C 23 176.515 176.071 0.444 1
1 208 . 14 1 1 A 23 23 THR CA C 23 66.706 66.604 0.102 1
1 209 . 14 1 1 A 23 23 THR CB C 23 68.646 68.585 0.061 1
1 211 . 14 1 1 A 23 23 THR N N 23 119.619 116.903 2.716 1
1 212 . 14 1 1 A 24 24 LYS H H 24 8.179 7.750 0.429 1
1 213 . 14 1 1 A 24 24 LYS HA H 24 4.055 3.894 0.161 1
1 219 . 14 1 1 A 24 24 LYS C C 24 179.223 178.647 0.576 1
1 220 . 14 1 1 A 24 24 LYS CA C 24 59.865 59.762 0.103 1
1 221 . 14 1 1 A 24 24 LYS CB C 24 32.733 32.486 0.247 1
1 225 . 14 1 1 A 24 24 LYS N N 24 122.464 120.725 1.739 1
1 226 . 14 1 1 A 25 25 GLN H H 25 8.791 8.319 0.472 1
1 227 . 14 1 1 A 25 25 GLN HA H 25 4.266 3.971 0.295 1
1 234 . 14 1 1 A 25 25 GLN C C 25 178.359 178.822 -0.463 1
1 235 . 14 1 1 A 25 25 GLN CA C 25 57.273 59.447 -2.174 1
1 236 . 14 1 1 A 25 25 GLN CB C 25 26.830 28.282 -1.452 1
1 238 . 14 1 1 A 25 25 GLN N N 25 120.181 118.410 1.771 1
1 240 . 14 1 1 A 26 26 GLY H H 26 8.828 8.659 0.169 1
1 241 . 14 1 1 A 26 26 GLY HA2 H 26 4.099 3.782 0.317 1
1 242 . 14 1 1 A 26 26 GLY HA3 H 26 3.788 3.782 0.006 1
1 243 . 14 1 1 A 26 26 GLY C C 26 176.618 176.009 0.609 1
1 244 . 14 1 1 A 26 26 GLY CA C 26 47.161 47.472 -0.311 1
1 245 . 14 1 1 A 26 26 GLY N N 26 108.597 107.722 0.875 1
1 246 . 14 1 1 A 27 27 ASN H H 27 7.910 7.709 0.201 1
1 247 . 14 1 1 A 27 27 ASN HA H 27 4.582 4.422 0.160 1
1 252 . 14 1 1 A 27 27 ASN C C 27 177.317 177.802 -0.485 1
1 253 . 14 1 1 A 27 27 ASN CA C 27 56.074 55.713 0.361 1
1 254 . 14 1 1 A 27 27 ASN CB C 27 37.729 38.507 -0.778 1
1 255 . 14 1 1 A 27 27 ASN N N 27 121.818 119.468 2.350 1
1 257 . 14 1 1 A 28 28 ILE H H 28 7.811 8.064 -0.253 1
1 258 . 14 1 1 A 28 28 ILE HA H 28 3.789 3.704 0.085 1
1 268 . 14 1 1 A 28 28 ILE C C 28 178.445 178.148 0.297 1
1 269 . 14 1 1 A 28 28 ILE CA C 28 65.117 65.316 -0.199 1
1 270 . 14 1 1 A 28 28 ILE CB C 28 37.914 38.028 -0.114 1
1 274 . 14 1 1 A 28 28 ILE N N 28 123.083 120.119 2.964 1
1 275 . 14 1 1 A 29 29 VAL H H 29 8.018 7.844 0.174 1
1 276 . 14 1 1 A 29 29 VAL HA H 29 3.399 3.452 -0.053 1
1 284 . 14 1 1 A 29 29 VAL C C 29 176.953 177.918 -0.965 1
1 285 . 14 1 1 A 29 29 VAL CA C 29 67.541 67.229 0.312 1
1 286 . 14 1 1 A 29 29 VAL CB C 29 32.013 31.519 0.494 1
1 289 . 14 1 1 A 29 29 VAL N N 29 119.117 120.046 -0.929 1
1 290 . 14 1 1 A 30 30 ARG H H 30 7.965 7.904 0.061 1
1 291 . 14 1 1 A 30 30 ARG HA H 30 3.928 3.938 -0.010 1
1 298 . 14 1 1 A 30 30 ARG C C 30 179.609 178.891 0.718 1
1 299 . 14 1 1 A 30 30 ARG CA C 30 60.006 59.714 0.292 1
1 300 . 14 1 1 A 30 30 ARG CB C 30 30.302 29.982 0.320 1
1 303 . 14 1 1 A 30 30 ARG N N 30 118.510 120.081 -1.571 1
1 304 . 14 1 1 A 31 31 GLU H H 31 8.211 7.921 0.290 1
1 305 . 14 1 1 A 31 31 GLU HA H 31 4.167 4.059 0.108 1
1 310 . 14 1 1 A 31 31 GLU C C 31 178.910 179.135 -0.225 1
1 311 . 14 1 1 A 31 31 GLU CA C 31 59.195 58.737 0.458 1
1 312 . 14 1 1 A 31 31 GLU CB C 31 29.437 29.728 -0.291 1
1 314 . 14 1 1 A 31 31 GLU N N 31 120.110 119.110 1.000 1
1 315 . 14 1 1 A 32 32 LEU H H 32 8.287 8.157 0.130 1
1 316 . 14 1 1 A 32 32 LEU HA H 32 4.021 3.944 0.077 1
1 326 . 14 1 1 A 32 32 LEU C C 32 179.931 179.040 0.891 1
1 327 . 14 1 1 A 32 32 LEU CA C 32 57.979 57.605 0.374 1
1 328 . 14 1 1 A 32 32 LEU CB C 32 42.524 41.743 0.781 1
1 332 . 14 1 1 A 32 32 LEU N N 32 120.148 120.880 -0.732 1
1 333 . 14 1 1 A 33 33 LYS H H 33 8.205 7.931 0.274 1
1 334 . 14 1 1 A 33 33 LYS HA H 33 4.048 4.202 -0.154 1
1 343 . 14 1 1 A 33 33 LYS C C 33 180.739 177.898 2.841 1
1 344 . 14 1 1 A 33 33 LYS CA C 33 59.883 58.415 1.468 1
1 345 . 14 1 1 A 33 33 LYS CB C 33 32.569 32.335 0.234 1
1 349 . 14 1 1 A 33 33 LYS N N 33 117.234 117.285 -0.051 1
1 350 . 14 1 1 A 34 34 ALA H H 34 8.101 7.454 0.647 1
1 351 . 14 1 1 A 34 34 ALA HA H 34 4.185 4.238 -0.053 1
1 355 . 14 1 1 A 34 34 ALA C C 34 179.304 177.811 1.493 1
1 356 . 14 1 1 A 34 34 ALA CA C 34 54.734 53.556 1.178 1
1 357 . 14 1 1 A 34 34 ALA CB C 34 18.190 19.094 -0.904 1
1 358 . 14 1 1 A 34 34 ALA N N 34 123.540 122.123 1.417 1
1 359 . 14 1 1 A 35 35 GLN H H 35 7.815 8.071 -0.256 1
1 360 . 14 1 1 A 35 35 GLN HA H 35 4.299 4.319 -0.020 1
1 367 . 14 1 1 A 35 35 GLN C C 35 175.344 175.237 0.107 1
1 368 . 14 1 1 A 35 35 GLN CA C 35 55.342 54.643 0.699 1
1 369 . 14 1 1 A 35 35 GLN CB C 35 28.819 27.859 0.960 1
1 371 . 14 1 1 A 35 35 GLN N N 35 115.126 113.985 1.141 1
1 373 . 14 1 1 A 36 36 LYS H H 36 7.948 7.917 0.031 1
1 374 . 14 1 1 A 36 36 LYS HA H 36 3.963 3.806 0.157 1
1 382 . 14 1 1 A 36 36 LYS C C 36 175.883 175.726 0.157 1
1 383 . 14 1 1 A 36 36 LYS CA C 36 56.872 57.129 -0.257 1
1 384 . 14 1 1 A 36 36 LYS CB C 36 28.917 29.635 -0.718 1
1 388 . 14 1 1 A 36 36 LYS N N 36 117.310 114.888 2.422 1
1 389 . 14 1 1 A 37 37 ALA H H 37 7.646 7.562 0.084 1
1 390 . 14 1 1 A 37 37 ALA HA H 37 4.226 4.238 -0.012 1
1 394 . 14 1 1 A 37 37 ALA C C 37 176.094 176.543 -0.449 1
1 395 . 14 1 1 A 37 37 ALA CA C 37 52.143 52.598 -0.455 1
1 396 . 14 1 1 A 37 37 ALA CB C 37 20.742 19.713 1.029 1
1 397 . 14 1 1 A 37 37 ALA N N 37 120.112 119.046 1.066 1
1 398 . 14 1 1 A 38 38 ASP H H 38 8.474 8.440 0.034 1
1 399 . 14 1 1 A 38 38 ASP HA H 38 4.387 4.415 -0.028 1
1 402 . 14 1 1 A 38 38 ASP C C 38 177.481 177.637 -0.156 1
1 403 . 14 1 1 A 38 38 ASP CA C 38 54.992 54.629 0.363 1
1 404 . 14 1 1 A 38 38 ASP CB C 38 43.156 42.876 0.280 1
1 405 . 14 1 1 A 38 38 ASP N N 38 119.141 121.241 -2.100 1
1 406 . 14 1 1 A 39 39 LYS H H 39 8.703 8.616 0.087 1
1 407 . 14 1 1 A 39 39 LYS HA H 39 3.967 3.951 0.016 1
1 414 . 14 1 1 A 39 39 LYS C C 39 178.806 178.521 0.285 1
1 415 . 14 1 1 A 39 39 LYS CA C 39 59.547 60.090 -0.543 1
1 416 . 14 1 1 A 39 39 LYS CB C 39 32.222 32.240 -0.018 1
1 420 . 14 1 1 A 39 39 LYS N N 39 124.290 125.858 -1.568 1
1 421 . 14 1 1 A 40 40 ASN H H 40 8.873 8.169 0.704 1
1 422 . 14 1 1 A 40 40 ASN HA H 40 4.571 4.449 0.122 1
1 427 . 14 1 1 A 40 40 ASN C C 40 178.014 177.695 0.319 1
1 428 . 14 1 1 A 40 40 ASN CA C 40 56.091 56.883 -0.792 1
1 429 . 14 1 1 A 40 40 ASN CB C 40 37.900 39.096 -1.196 1
1 430 . 14 1 1 A 40 40 ASN N N 40 119.722 118.240 1.482 1
1 432 . 14 1 1 A 41 41 GLU H H 41 7.881 7.842 0.039 1
1 433 . 14 1 1 A 41 41 GLU HA H 41 4.192 4.056 0.136 1
1 438 . 14 1 1 A 41 41 GLU C C 41 178.917 179.788 -0.871 1
1 439 . 14 1 1 A 41 41 GLU CA C 41 59.213 59.262 -0.049 1
1 440 . 14 1 1 A 41 41 GLU CB C 41 29.520 29.770 -0.250 1
1 442 . 14 1 1 A 41 41 GLU N N 41 124.025 118.995 5.030 1
1 443 . 14 1 1 A 42 42 VAL H H 42 8.061 8.434 -0.373 1
1 444 . 14 1 1 A 42 42 VAL HA H 42 3.397 3.572 -0.175 1
1 452 . 14 1 1 A 42 42 VAL C C 42 177.701 177.864 -0.163 1
1 453 . 14 1 1 A 42 42 VAL CA C 42 67.341 66.438 0.903 1
1 454 . 14 1 1 A 42 42 VAL CB C 42 32.075 31.702 0.373 1
1 457 . 14 1 1 A 42 42 VAL N N 42 117.921 121.063 -3.142 1
1 458 . 14 1 1 A 43 43 ALA H H 43 8.136 8.471 -0.335 1
1 459 . 14 1 1 A 43 43 ALA HA H 43 4.101 3.883 0.218 1
1 463 . 14 1 1 A 43 43 ALA C C 43 180.808 179.589 1.219 1
1 464 . 14 1 1 A 43 43 ALA CA C 43 55.404 55.466 -0.062 1
1 465 . 14 1 1 A 43 43 ALA CB C 43 17.722 18.415 -0.693 1
1 466 . 14 1 1 A 43 43 ALA N N 43 119.833 121.974 -2.141 1
1 467 . 14 1 1 A 44 44 ALA H H 44 7.664 8.245 -0.581 1
1 468 . 14 1 1 A 44 44 ALA HA H 44 4.234 4.048 0.186 1
1 472 . 14 1 1 A 44 44 ALA C C 44 180.953 179.906 1.047 1
1 473 . 14 1 1 A 44 44 ALA CA C 44 55.122 55.415 -0.293 1
1 474 . 14 1 1 A 44 44 ALA CB C 44 18.229 18.737 -0.508 1
1 475 . 14 1 1 A 44 44 ALA N N 44 121.026 119.460 1.566 1
1 476 . 14 1 1 A 45 45 GLU H H 45 7.837 7.487 0.350 1
1 477 . 14 1 1 A 45 45 GLU HA H 45 4.447 4.149 0.298 1
1 482 . 14 1 1 A 45 45 GLU C C 45 180.357 179.144 1.213 1
1 483 . 14 1 1 A 45 45 GLU CA C 45 57.467 59.372 -1.905 1
1 484 . 14 1 1 A 45 45 GLU CB C 45 28.255 30.177 -1.922 1
1 486 . 14 1 1 A 45 45 GLU N N 45 118.409 118.330 0.079 1
1 487 . 14 1 1 A 46 46 VAL H H 46 9.024 8.003 1.021 1
1 488 . 14 1 1 A 46 46 VAL HA H 46 3.638 3.533 0.105 1
1 496 . 14 1 1 A 46 46 VAL C C 46 177.712 177.952 -0.240 1
1 497 . 14 1 1 A 46 46 VAL CA C 46 66.961 66.676 0.285 1
1 498 . 14 1 1 A 46 46 VAL CB C 46 31.910 31.476 0.434 1
1 501 . 14 1 1 A 46 46 VAL N N 46 124.975 120.375 4.600 1
1 502 . 14 1 1 A 47 47 ALA H H 47 8.130 8.604 -0.474 1
1 503 . 14 1 1 A 47 47 ALA HA H 47 4.093 4.046 0.047 1
1 507 . 14 1 1 A 47 47 ALA C C 47 180.853 179.281 1.572 1
1 508 . 14 1 1 A 47 47 ALA CA C 47 55.545 55.336 0.209 1
1 509 . 14 1 1 A 47 47 ALA CB C 47 17.683 18.537 -0.854 1
1 510 . 14 1 1 A 47 47 ALA N N 47 122.493 121.963 0.530 1
1 511 . 14 1 1 A 48 48 LYS H H 48 7.442 8.280 -0.838 1
1 512 . 14 1 1 A 48 48 LYS HA H 48 4.183 3.933 0.250 1
1 521 . 14 1 1 A 48 48 LYS C C 48 178.698 178.399 0.299 1
1 522 . 14 1 1 A 48 48 LYS CA C 48 59.389 60.088 -0.699 1
1 523 . 14 1 1 A 48 48 LYS CB C 48 32.610 32.449 0.161 1
1 527 . 14 1 1 A 48 48 LYS N N 48 118.186 118.728 -0.542 1
1 528 . 14 1 1 A 49 49 LEU H H 49 7.822 8.319 -0.497 1
1 529 . 14 1 1 A 49 49 LEU HA H 49 4.012 3.958 0.054 1
1 539 . 14 1 1 A 49 49 LEU C C 49 177.582 178.283 -0.701 1
1 540 . 14 1 1 A 49 49 LEU CA C 49 58.490 58.559 -0.069 1
1 541 . 14 1 1 A 49 49 LEU CB C 49 42.119 41.701 0.418 1
1 545 . 14 1 1 A 49 49 LEU N N 49 120.499 120.527 -0.028 1
1 546 . 14 1 1 A 50 50 LEU H H 50 8.565 8.203 0.362 1
1 547 . 14 1 1 A 50 50 LEU HA H 50 3.994 3.978 0.016 1
1 557 . 14 1 1 A 50 50 LEU C C 50 180.128 179.120 1.008 1
1 558 . 14 1 1 A 50 50 LEU CA C 50 58.330 57.562 0.768 1
1 559 . 14 1 1 A 50 50 LEU CB C 50 41.060 41.250 -0.190 1
1 563 . 14 1 1 A 50 50 LEU N N 50 118.622 118.891 -0.269 1
1 564 . 14 1 1 A 51 51 ASP H H 51 7.962 8.143 -0.181 1
1 565 . 14 1 1 A 51 51 ASP HA H 51 4.480 4.482 -0.002 1
1 568 . 14 1 1 A 51 51 ASP C C 51 178.808 178.810 -0.002 1
1 569 . 14 1 1 A 51 51 ASP CA C 51 57.802 56.866 0.936 1
1 570 . 14 1 1 A 51 51 ASP CB C 51 41.435 40.404 1.031 1
1 571 . 14 1 1 A 51 51 ASP N N 51 120.483 119.927 0.556 1
1 572 . 14 1 1 A 52 52 LEU H H 52 8.228 7.966 0.262 1
1 573 . 14 1 1 A 52 52 LEU HA H 52 4.006 4.063 -0.057 1
1 583 . 14 1 1 A 52 52 LEU C C 52 179.173 179.673 -0.500 1
1 584 . 14 1 1 A 52 52 LEU CA C 52 58.190 56.766 1.424 1
1 585 . 14 1 1 A 52 52 LEU CB C 52 43.222 41.397 1.825 1
1 589 . 14 1 1 A 52 52 LEU N N 52 121.105 120.131 0.974 1
1 590 . 14 1 1 A 53 53 LYS H H 53 8.531 7.699 0.832 1
1 591 . 14 1 1 A 53 53 LYS HA H 53 3.872 4.070 -0.198 1
1 600 . 14 1 1 A 53 53 LYS C C 53 179.984 178.953 1.031 1
1 601 . 14 1 1 A 53 53 LYS CA C 53 60.699 59.535 1.164 1
1 602 . 14 1 1 A 53 53 LYS CB C 53 32.239 32.294 -0.055 1
1 606 . 14 1 1 A 53 53 LYS N N 53 118.013 119.944 -1.931 1
1 607 . 14 1 1 A 54 54 LYS H H 54 8.090 8.089 0.001 1
1 608 . 14 1 1 A 54 54 LYS HA H 54 4.165 4.114 0.051 1
1 616 . 14 1 1 A 54 54 LYS C C 54 178.638 178.756 -0.118 1
1 617 . 14 1 1 A 54 54 LYS CA C 54 59.847 59.008 0.839 1
1 618 . 14 1 1 A 54 54 LYS CB C 54 32.116 32.519 -0.403 1
1 622 . 14 1 1 A 54 54 LYS N N 54 122.616 118.878 3.738 1
1 623 . 14 1 1 A 55 55 GLN H H 55 8.214 8.053 0.161 1
1 624 . 14 1 1 A 55 55 GLN HA H 55 3.976 4.040 -0.064 1
1 631 . 14 1 1 A 55 55 GLN C C 55 179.696 178.526 1.170 1
1 632 . 14 1 1 A 55 55 GLN CA C 55 59.177 58.550 0.627 1
1 633 . 14 1 1 A 55 55 GLN CB C 55 29.400 28.166 1.234 1
1 635 . 14 1 1 A 55 55 GLN N N 55 119.132 119.205 -0.073 1
1 637 . 14 1 1 A 56 56 LEU H H 56 8.506 7.587 0.919 1
1 638 . 14 1 1 A 56 56 LEU HA H 56 4.116 4.035 0.081 1
1 648 . 14 1 1 A 56 56 LEU C C 56 176.782 178.430 -1.648 1
1 649 . 14 1 1 A 56 56 LEU CA C 56 57.925 58.145 -0.220 1
1 650 . 14 1 1 A 56 56 LEU CB C 56 41.465 41.951 -0.486 1
1 654 . 14 1 1 A 56 56 LEU N N 56 122.033 122.380 -0.347 1
1 655 . 14 1 1 A 57 57 ALA H H 57 7.896 7.816 0.080 1
1 656 . 14 1 1 A 57 57 ALA HA H 57 4.232 4.045 0.187 1
1 660 . 14 1 1 A 57 57 ALA C C 57 180.928 180.251 0.677 1
1 661 . 14 1 1 A 57 57 ALA CA C 57 55.246 55.519 -0.273 1
1 662 . 14 1 1 A 57 57 ALA CB C 57 17.776 18.472 -0.696 1
1 663 . 14 1 1 A 57 57 ALA N N 57 121.379 120.500 0.879 1
1 664 . 14 1 1 A 58 58 VAL H H 58 7.973 7.821 0.152 1
1 665 . 14 1 1 A 58 58 VAL HA H 58 3.761 3.653 0.108 1
1 673 . 14 1 1 A 58 58 VAL C C 58 179.410 178.214 1.196 1
1 674 . 14 1 1 A 58 58 VAL CA C 58 65.807 66.582 -0.775 1
1 675 . 14 1 1 A 58 58 VAL CB C 58 31.978 31.724 0.254 1
1 678 . 14 1 1 A 58 58 VAL N N 58 117.592 117.752 -0.160 1
1 679 . 14 1 1 A 59 59 ALA H H 59 8.024 8.346 -0.322 1
1 680 . 14 1 1 A 59 59 ALA HA H 59 4.133 3.999 0.134 1
1 684 . 14 1 1 A 59 59 ALA C C 59 179.359 180.226 -0.867 1
1 685 . 14 1 1 A 59 59 ALA CA C 59 54.805 55.668 -0.863 1
1 686 . 14 1 1 A 59 59 ALA CB C 59 18.513 18.290 0.223 1
1 687 . 14 1 1 A 59 59 ALA N N 59 124.023 122.454 1.569 1
1 688 . 14 1 1 A 60 60 GLU H H 60 8.334 8.047 0.287 1
1 689 . 14 1 1 A 60 60 GLU HA H 60 4.143 4.134 0.009 1
1 694 . 14 1 1 A 60 60 GLU C C 60 177.391 176.965 0.426 1
1 695 . 14 1 1 A 60 60 GLU CA C 60 57.915 57.283 0.632 1
1 696 . 14 1 1 A 60 60 GLU CB C 60 30.962 29.931 1.031 1
1 698 . 14 1 1 A 60 60 GLU N N 60 115.335 116.796 -1.461 1
1 699 . 14 1 1 A 61 61 GLY H H 61 7.845 8.157 -0.312 1
1 700 . 14 1 1 A 61 61 GLY HA2 H 61 3.958 3.987 -0.029 1
1 701 . 14 1 1 A 61 61 GLY HA3 H 61 3.958 3.987 -0.029 1
1 702 . 14 1 1 A 61 61 GLY C C 61 174.090 174.237 -0.147 1
1 703 . 14 1 1 A 61 61 GLY CA C 61 45.654 45.317 0.337 1
1 704 . 14 1 1 A 61 61 GLY N N 61 107.486 107.163 0.323 1
1 705 . 14 1 1 A 62 62 LYS H H 62 8.068 7.280 0.788 1
1 706 . 14 1 1 A 62 62 LYS HA H 62 4.612 4.519 0.093 1
1 715 . 14 1 1 A 62 62 LYS C C 62 174.023 174.461 -0.438 1
1 716 . 14 1 1 A 62 62 LYS CA C 62 54.147 53.777 0.370 1
1 717 . 14 1 1 A 62 62 LYS CB C 62 32.651 32.069 0.582 1
1 721 . 14 1 1 A 62 62 LYS N N 62 121.672 120.497 1.175 1
1 722 . 14 1 1 A 63 63 PRO HA H 63 4.692 4.666 0.026 1
1 729 . 14 1 1 A 63 63 PRO CA C 63 61.351 62.628 -1.277 1
1 730 . 14 1 1 A 63 63 PRO CB C 63 30.892 31.531 -0.639 1
1 733 . 14 1 1 A 64 64 PRO HA H 64 4.408 4.437 -0.029 1
1 740 . 14 1 1 A 64 64 PRO C C 64 176.775 177.449 -0.674 1
1 741 . 14 1 1 A 64 64 PRO CA C 64 62.926 63.206 -0.280 1
1 742 . 14 1 1 A 64 64 PRO CB C 64 32.074 31.286 0.788 1
1 745 . 14 1 1 A 65 65 GLU H H 65 8.396 8.989 -0.593 1
1 746 . 14 1 1 A 65 65 GLU HA H 65 4.243 4.042 0.201 1
1 751 . 14 1 1 A 65 65 GLU C C 65 175.888 176.640 -0.752 1
1 752 . 14 1 1 A 65 65 GLU CA C 65 56.083 57.479 -1.396 1
1 753 . 14 1 1 A 65 65 GLU CB C 65 30.722 29.180 1.542 1
1 755 . 14 1 1 A 65 65 GLU N N 65 121.093 123.108 -2.015 1
1 756 . 14 1 1 A 66 66 ALA H H 66 8.434 7.909 0.525 1
1 757 . 14 1 1 A 66 66 ALA HA H 66 4.583 4.107 0.476 1
1 761 . 14 1 1 A 66 66 ALA C C 66 175.504 176.104 -0.600 1
1 762 . 14 1 1 A 66 66 ALA CA C 66 50.482 56.725 -6.243 1
1 763 . 14 1 1 A 66 66 ALA CB C 66 18.108 18.585 -0.477 1
1 764 . 14 1 1 A 66 66 ALA N N 66 127.348 121.205 6.143 1
1 765 . 14 1 1 A 67 67 PRO HA H 67 4.408 4.396 0.012 1
1 772 . 14 1 1 A 67 67 PRO C C 67 177.111 178.475 -1.364 1
1 773 . 14 1 1 A 67 67 PRO CA C 67 63.056 64.493 -1.437 1
1 774 . 14 1 1 A 67 67 PRO CB C 67 32.074 31.492 0.582 1
1 777 . 14 1 1 A 68 68 LYS H H 68 8.479 8.081 0.398 1
1 778 . 14 1 1 A 68 68 LYS HA H 68 4.291 4.047 0.244 1
1 787 . 14 1 1 A 68 68 LYS C C 68 177.292 177.838 -0.546 1
1 788 . 14 1 1 A 68 68 LYS CA C 68 56.322 59.298 -2.976 1
1 789 . 14 1 1 A 68 68 LYS CB C 68 33.146 32.898 0.248 1
1 793 . 14 1 1 A 68 68 LYS N N 68 121.836 118.507 3.329 1
1 794 . 14 1 1 A 69 69 GLY H H 69 8.387 7.753 0.634 1
1 795 . 14 1 1 A 69 69 GLY HA2 H 69 3.948 4.074 -0.126 1
1 796 . 14 1 1 A 69 69 GLY HA3 H 69 3.948 4.074 -0.126 1
1 797 . 14 1 1 A 69 69 GLY C C 69 173.940 174.373 -0.433 1
1 798 . 14 1 1 A 69 69 GLY CA C 69 45.160 45.980 -0.820 1
1 799 . 14 1 1 A 69 69 GLY N N 69 109.796 106.275 3.521 1
1 800 . 14 1 1 A 70 70 LYS H H 70 8.196 7.746 0.450 1
1 801 . 14 1 1 A 70 70 LYS HA H 70 4.318 4.280 0.038 1
1 810 . 14 1 1 A 70 70 LYS C C 70 176.642 175.704 0.938 1
1 811 . 14 1 1 A 70 70 LYS CA C 70 56.127 56.978 -0.851 1
1 812 . 14 1 1 A 70 70 LYS CB C 70 33.272 33.956 -0.684 1
1 816 . 14 1 1 A 70 70 LYS N N 70 121.044 120.594 0.450 1
1 817 . 14 1 1 A 71 71 LYS H H 71 8.348 8.753 -0.405 1
1 818 . 14 1 1 A 71 71 LYS HA H 71 4.273 4.528 -0.255 1
1 827 . 14 1 1 A 71 71 LYS C C 71 176.548 175.405 1.143 1
1 828 . 14 1 1 A 71 71 LYS CA C 71 56.285 56.039 0.246 1
1 829 . 14 1 1 A 71 71 LYS CB C 71 33.270 35.367 -2.097 1
1 833 . 14 1 1 A 71 71 LYS N N 71 123.152 122.776 0.376 1
1 834 . 14 1 1 A 72 72 LYS H H 72 8.405 8.681 -0.276 1
1 835 . 14 1 1 A 72 72 LYS HA H 72 4.273 3.758 0.515 1
1 836 . 14 1 1 A 72 72 LYS C C 72 176.499 174.930 1.569 1
1 837 . 14 1 1 A 72 72 LYS CA C 72 56.356 57.183 -0.827 1
1 838 . 14 1 1 A 72 72 LYS CB C 72 33.146 29.692 3.454 1
1 1 . 15 1 1 A 7 7 GLY HA2 H 7 4.042 4.172 -0.130 1
1 2 . 15 1 1 A 7 7 GLY HA3 H 7 4.042 4.172 -0.130 1
1 3 . 15 1 1 A 7 7 GLY C C 7 174.377 174.371 0.006 1
1 4 . 15 1 1 A 7 7 GLY CA C 7 45.425 44.667 0.758 1
1 5 . 15 1 1 A 8 8 THR H H 8 8.131 8.720 -0.589 1
1 6 . 15 1 1 A 8 8 THR HA H 8 4.448 4.397 0.051 1
1 11 . 15 1 1 A 8 8 THR C C 8 174.773 174.216 0.557 1
1 12 . 15 1 1 A 8 8 THR CA C 8 61.787 62.005 -0.218 1
1 13 . 15 1 1 A 8 8 THR CB C 8 69.913 70.364 -0.451 1
1 15 . 15 1 1 A 8 8 THR N N 8 113.630 116.092 -2.462 1
1 16 . 15 1 1 A 9 9 THR H H 9 8.180 8.590 -0.410 1
1 17 . 15 1 1 A 9 9 THR HA H 9 4.355 4.404 -0.049 1
1 22 . 15 1 1 A 9 9 THR C C 9 174.203 174.190 0.013 1
1 23 . 15 1 1 A 9 9 THR CA C 9 61.892 61.637 0.255 1
1 24 . 15 1 1 A 9 9 THR CB C 9 69.891 68.082 1.809 1
1 26 . 15 1 1 A 9 9 THR N N 9 116.604 114.353 2.251 1
1 27 . 15 1 1 A 10 10 ALA H H 10 8.405 7.792 0.613 1
1 28 . 15 1 1 A 10 10 ALA HA H 10 4.376 4.698 -0.322 1
1 32 . 15 1 1 A 10 10 ALA C C 10 177.430 177.391 0.039 1
1 33 . 15 1 1 A 10 10 ALA CA C 10 52.317 50.422 1.895 1
1 34 . 15 1 1 A 10 10 ALA CB C 10 19.506 20.907 -1.401 1
1 35 . 15 1 1 A 10 10 ALA N N 10 126.934 128.872 -1.938 1
1 36 . 15 1 1 A 11 11 LYS H H 11 8.462 9.158 -0.696 1
1 37 . 15 1 1 A 11 11 LYS HA H 11 4.575 3.981 0.594 1
1 46 . 15 1 1 A 11 11 LYS C C 11 174.921 176.464 -1.543 1
1 47 . 15 1 1 A 11 11 LYS CA C 11 55.122 61.462 -6.340 1
1 48 . 15 1 1 A 11 11 LYS CB C 11 31.910 30.685 1.225 1
1 52 . 15 1 1 A 11 11 LYS N N 11 121.526 122.771 -1.245 1
1 53 . 15 1 1 A 12 12 PRO HA H 12 4.363 4.419 -0.056 1
1 60 . 15 1 1 A 12 12 PRO C C 12 178.290 177.869 0.421 1
1 61 . 15 1 1 A 12 12 PRO CA C 12 64.502 64.641 -0.139 1
1 62 . 15 1 1 A 12 12 PRO CB C 12 31.992 31.410 0.582 1
1 65 . 15 1 1 A 13 13 GLN H H 13 8.665 8.169 0.496 1
1 66 . 15 1 1 A 13 13 GLN HA H 13 4.158 4.320 -0.162 1
1 73 . 15 1 1 A 13 13 GLN C C 13 177.727 177.937 -0.210 1
1 74 . 15 1 1 A 13 13 GLN CA C 13 58.366 58.636 -0.270 1
1 75 . 15 1 1 A 13 13 GLN CB C 13 28.584 29.777 -1.193 1
1 77 . 15 1 1 A 13 13 GLN N N 13 119.964 116.267 3.697 1
1 79 . 15 1 1 A 14 14 GLN H H 14 8.376 7.953 0.423 1
1 80 . 15 1 1 A 14 14 GLN HA H 14 4.217 4.103 0.114 1
1 87 . 15 1 1 A 14 14 GLN C C 14 178.304 178.125 0.179 1
1 88 . 15 1 1 A 14 14 GLN CA C 14 58.190 58.222 -0.032 1
1 89 . 15 1 1 A 14 14 GLN CB C 14 28.639 28.602 0.037 1
1 91 . 15 1 1 A 14 14 GLN N N 14 120.039 117.726 2.313 1
1 93 . 15 1 1 A 15 15 ILE H H 15 7.802 7.578 0.224 1
1 94 . 15 1 1 A 15 15 ILE HA H 15 3.654 3.639 0.015 1
1 104 . 15 1 1 A 15 15 ILE C C 15 177.183 177.906 -0.723 1
1 105 . 15 1 1 A 15 15 ILE CA C 15 64.643 64.906 -0.263 1
1 106 . 15 1 1 A 15 15 ILE CB C 15 37.828 37.718 0.110 1
1 110 . 15 1 1 A 15 15 ILE N N 15 119.981 121.592 -1.611 1
1 111 . 15 1 1 A 16 16 GLN H H 16 8.159 8.014 0.145 1
1 112 . 15 1 1 A 16 16 GLN HA H 16 3.958 4.015 -0.057 1
1 119 . 15 1 1 A 16 16 GLN C C 16 177.647 178.032 -0.385 1
1 120 . 15 1 1 A 16 16 GLN CA C 16 58.648 59.117 -0.469 1
1 121 . 15 1 1 A 16 16 GLN CB C 16 28.531 28.548 -0.017 1
1 123 . 15 1 1 A 16 16 GLN N N 16 119.695 120.048 -0.353 1
1 125 . 15 1 1 A 17 17 ALA H H 17 7.946 7.515 0.431 1
1 126 . 15 1 1 A 17 17 ALA HA H 17 4.239 4.125 0.114 1
1 130 . 15 1 1 A 17 17 ALA C C 17 180.910 179.876 1.034 1
1 131 . 15 1 1 A 17 17 ALA CA C 17 55.106 55.176 -0.070 1
1 132 . 15 1 1 A 17 17 ALA CB C 17 17.990 18.579 -0.589 1
1 133 . 15 1 1 A 17 17 ALA N N 17 120.227 121.126 -0.899 1
1 134 . 15 1 1 A 18 18 LEU H H 18 7.682 8.377 -0.695 1
1 135 . 15 1 1 A 18 18 LEU HA H 18 4.187 3.884 0.303 1
1 145 . 15 1 1 A 18 18 LEU C C 18 178.977 179.032 -0.055 1
1 146 . 15 1 1 A 18 18 LEU CA C 18 57.890 57.980 -0.090 1
1 147 . 15 1 1 A 18 18 LEU CB C 18 43.361 41.732 1.629 1
1 151 . 15 1 1 A 18 18 LEU N N 18 119.764 118.083 1.681 1
1 152 . 15 1 1 A 19 19 MET H H 19 8.699 8.621 0.078 1
1 153 . 15 1 1 A 19 19 MET HA H 19 3.965 4.013 -0.048 1
1 161 . 15 1 1 A 19 19 MET C C 19 179.207 178.201 1.006 1
1 162 . 15 1 1 A 19 19 MET CA C 19 59.794 58.931 0.863 1
1 163 . 15 1 1 A 19 19 MET CB C 19 32.445 32.311 0.134 1
1 166 . 15 1 1 A 19 19 MET N N 19 119.982 116.606 3.376 1
1 167 . 15 1 1 A 20 20 ASP H H 20 8.435 8.010 0.425 1
1 168 . 15 1 1 A 20 20 ASP HA H 20 4.453 4.371 0.082 1
1 171 . 15 1 1 A 20 20 ASP C C 20 179.127 178.511 0.616 1
1 172 . 15 1 1 A 20 20 ASP CA C 20 57.449 57.670 -0.221 1
1 173 . 15 1 1 A 20 20 ASP CB C 20 39.986 42.334 -2.348 1
1 174 . 15 1 1 A 20 20 ASP N N 20 120.434 120.557 -0.123 1
1 175 . 15 1 1 A 21 21 GLU H H 21 8.150 8.036 0.114 1
1 176 . 15 1 1 A 21 21 GLU HA H 21 4.168 4.085 0.083 1
1 181 . 15 1 1 A 21 21 GLU C C 21 179.405 179.313 0.092 1
1 182 . 15 1 1 A 21 21 GLU CA C 21 59.477 59.430 0.047 1
1 183 . 15 1 1 A 21 21 GLU CB C 21 29.441 29.518 -0.077 1
1 185 . 15 1 1 A 21 21 GLU N N 21 122.159 119.054 3.105 1
1 186 . 15 1 1 A 22 22 VAL H H 22 8.754 7.863 0.891 1
1 187 . 15 1 1 A 22 22 VAL HA H 22 3.484 3.628 -0.144 1
1 195 . 15 1 1 A 22 22 VAL C C 22 179.177 178.710 0.467 1
1 196 . 15 1 1 A 22 22 VAL CA C 22 67.545 66.460 1.085 1
1 197 . 15 1 1 A 22 22 VAL CB C 22 31.712 31.768 -0.056 1
1 200 . 15 1 1 A 22 22 VAL N N 22 121.967 120.604 1.363 1
1 201 . 15 1 1 A 23 23 THR H H 23 8.410 7.993 0.417 1
1 202 . 15 1 1 A 23 23 THR HA H 23 3.888 3.879 0.009 1
1 207 . 15 1 1 A 23 23 THR C C 23 176.515 176.131 0.384 1
1 208 . 15 1 1 A 23 23 THR CA C 23 66.706 67.075 -0.369 1
1 209 . 15 1 1 A 23 23 THR CB C 23 68.646 68.774 -0.128 1
1 211 . 15 1 1 A 23 23 THR N N 23 119.619 116.623 2.996 1
1 212 . 15 1 1 A 24 24 LYS H H 24 8.179 8.471 -0.292 1
1 213 . 15 1 1 A 24 24 LYS HA H 24 4.055 3.895 0.160 1
1 219 . 15 1 1 A 24 24 LYS C C 24 179.223 178.691 0.532 1
1 220 . 15 1 1 A 24 24 LYS CA C 24 59.865 59.758 0.107 1
1 221 . 15 1 1 A 24 24 LYS CB C 24 32.733 32.552 0.181 1
1 225 . 15 1 1 A 24 24 LYS N N 24 122.464 121.374 1.090 1
1 226 . 15 1 1 A 25 25 GLN H H 25 8.791 8.484 0.307 1
1 227 . 15 1 1 A 25 25 GLN HA H 25 4.266 3.991 0.275 1
1 234 . 15 1 1 A 25 25 GLN C C 25 178.359 178.790 -0.431 1
1 235 . 15 1 1 A 25 25 GLN CA C 25 57.273 59.491 -2.218 1
1 236 . 15 1 1 A 25 25 GLN CB C 25 26.830 28.206 -1.376 1
1 238 . 15 1 1 A 25 25 GLN N N 25 120.181 118.382 1.799 1
1 240 . 15 1 1 A 26 26 GLY H H 26 8.828 8.601 0.227 1
1 241 . 15 1 1 A 26 26 GLY HA2 H 26 4.099 3.775 0.324 1
1 242 . 15 1 1 A 26 26 GLY HA3 H 26 3.788 3.775 0.013 1
1 243 . 15 1 1 A 26 26 GLY C C 26 176.618 176.011 0.607 1
1 244 . 15 1 1 A 26 26 GLY CA C 26 47.161 47.372 -0.211 1
1 245 . 15 1 1 A 26 26 GLY N N 26 108.597 107.745 0.852 1
1 246 . 15 1 1 A 27 27 ASN H H 27 7.910 7.650 0.260 1
1 247 . 15 1 1 A 27 27 ASN HA H 27 4.582 4.424 0.158 1
1 252 . 15 1 1 A 27 27 ASN C C 27 177.317 177.935 -0.618 1
1 253 . 15 1 1 A 27 27 ASN CA C 27 56.074 55.668 0.406 1
1 254 . 15 1 1 A 27 27 ASN CB C 27 37.729 38.646 -0.917 1
1 255 . 15 1 1 A 27 27 ASN N N 27 121.818 119.779 2.039 1
1 257 . 15 1 1 A 28 28 ILE H H 28 7.811 7.816 -0.005 1
1 258 . 15 1 1 A 28 28 ILE HA H 28 3.789 3.681 0.108 1
1 268 . 15 1 1 A 28 28 ILE C C 28 178.445 178.463 -0.018 1
1 269 . 15 1 1 A 28 28 ILE CA C 28 65.117 65.118 -0.001 1
1 270 . 15 1 1 A 28 28 ILE CB C 28 37.914 37.753 0.161 1
1 274 . 15 1 1 A 28 28 ILE N N 28 123.083 120.554 2.529 1
1 275 . 15 1 1 A 29 29 VAL H H 29 8.018 8.559 -0.541 1
1 276 . 15 1 1 A 29 29 VAL HA H 29 3.399 3.689 -0.290 1
1 284 . 15 1 1 A 29 29 VAL C C 29 176.953 178.313 -1.360 1
1 285 . 15 1 1 A 29 29 VAL CA C 29 67.541 66.850 0.691 1
1 286 . 15 1 1 A 29 29 VAL CB C 29 32.013 31.506 0.507 1
1 289 . 15 1 1 A 29 29 VAL N N 29 119.117 120.563 -1.446 1
1 290 . 15 1 1 A 30 30 ARG H H 30 7.965 7.958 0.007 1
1 291 . 15 1 1 A 30 30 ARG HA H 30 3.928 3.950 -0.022 1
1 298 . 15 1 1 A 30 30 ARG C C 30 179.609 178.430 1.179 1
1 299 . 15 1 1 A 30 30 ARG CA C 30 60.006 59.920 0.086 1
1 300 . 15 1 1 A 30 30 ARG CB C 30 30.302 29.806 0.496 1
1 303 . 15 1 1 A 30 30 ARG N N 30 118.510 119.886 -1.376 1
1 304 . 15 1 1 A 31 31 GLU H H 31 8.211 8.524 -0.313 1
1 305 . 15 1 1 A 31 31 GLU HA H 31 4.167 4.096 0.071 1
1 310 . 15 1 1 A 31 31 GLU C C 31 178.910 179.258 -0.348 1
1 311 . 15 1 1 A 31 31 GLU CA C 31 59.195 59.136 0.059 1
1 312 . 15 1 1 A 31 31 GLU CB C 31 29.437 29.203 0.234 1
1 314 . 15 1 1 A 31 31 GLU N N 31 120.110 117.533 2.577 1
1 315 . 15 1 1 A 32 32 LEU H H 32 8.287 8.283 0.004 1
1 316 . 15 1 1 A 32 32 LEU HA H 32 4.021 3.889 0.132 1
1 326 . 15 1 1 A 32 32 LEU C C 32 179.931 179.450 0.481 1
1 327 . 15 1 1 A 32 32 LEU CA C 32 57.979 57.626 0.353 1
1 328 . 15 1 1 A 32 32 LEU CB C 32 42.524 41.630 0.894 1
1 332 . 15 1 1 A 32 32 LEU N N 32 120.148 121.636 -1.488 1
1 333 . 15 1 1 A 33 33 LYS H H 33 8.205 7.740 0.465 1
1 334 . 15 1 1 A 33 33 LYS HA H 33 4.048 4.070 -0.022 1
1 343 . 15 1 1 A 33 33 LYS C C 33 180.739 179.680 1.059 1
1 344 . 15 1 1 A 33 33 LYS CA C 33 59.883 59.542 0.341 1
1 345 . 15 1 1 A 33 33 LYS CB C 33 32.569 32.195 0.374 1
1 349 . 15 1 1 A 33 33 LYS N N 33 117.234 117.621 -0.387 1
1 350 . 15 1 1 A 34 34 ALA H H 34 8.101 8.000 0.101 1
1 351 . 15 1 1 A 34 34 ALA HA H 34 4.185 4.089 0.096 1
1 355 . 15 1 1 A 34 34 ALA C C 34 179.304 178.994 0.310 1
1 356 . 15 1 1 A 34 34 ALA CA C 34 54.734 54.730 0.004 1
1 357 . 15 1 1 A 34 34 ALA CB C 34 18.190 18.262 -0.072 1
1 358 . 15 1 1 A 34 34 ALA N N 34 123.540 121.570 1.970 1
1 359 . 15 1 1 A 35 35 GLN H H 35 7.815 7.914 -0.099 1
1 360 . 15 1 1 A 35 35 GLN HA H 35 4.299 4.436 -0.137 1
1 367 . 15 1 1 A 35 35 GLN C C 35 175.344 175.258 0.086 1
1 368 . 15 1 1 A 35 35 GLN CA C 35 55.342 55.420 -0.078 1
1 369 . 15 1 1 A 35 35 GLN CB C 35 28.819 28.543 0.276 1
1 371 . 15 1 1 A 35 35 GLN N N 35 115.126 114.506 0.620 1
1 373 . 15 1 1 A 36 36 LYS H H 36 7.948 7.853 0.095 1
1 374 . 15 1 1 A 36 36 LYS HA H 36 3.963 3.995 -0.032 1
1 382 . 15 1 1 A 36 36 LYS C C 36 175.883 175.797 0.086 1
1 383 . 15 1 1 A 36 36 LYS CA C 36 56.872 57.101 -0.229 1
1 384 . 15 1 1 A 36 36 LYS CB C 36 28.917 30.253 -1.336 1
1 388 . 15 1 1 A 36 36 LYS N N 36 117.310 117.577 -0.267 1
1 389 . 15 1 1 A 37 37 ALA H H 37 7.646 7.487 0.159 1
1 390 . 15 1 1 A 37 37 ALA HA H 37 4.226 4.310 -0.084 1
1 394 . 15 1 1 A 37 37 ALA C C 37 176.094 176.552 -0.458 1
1 395 . 15 1 1 A 37 37 ALA CA C 37 52.143 52.111 0.032 1
1 396 . 15 1 1 A 37 37 ALA CB C 37 20.742 20.020 0.722 1
1 397 . 15 1 1 A 37 37 ALA N N 37 120.112 122.971 -2.859 1
1 398 . 15 1 1 A 38 38 ASP H H 38 8.474 8.379 0.095 1
1 399 . 15 1 1 A 38 38 ASP HA H 38 4.387 4.444 -0.057 1
1 402 . 15 1 1 A 38 38 ASP C C 38 177.481 177.559 -0.078 1
1 403 . 15 1 1 A 38 38 ASP CA C 38 54.992 54.634 0.358 1
1 404 . 15 1 1 A 38 38 ASP CB C 38 43.156 42.939 0.217 1
1 405 . 15 1 1 A 38 38 ASP N N 38 119.141 120.518 -1.377 1
1 406 . 15 1 1 A 39 39 LYS H H 39 8.703 8.571 0.132 1
1 407 . 15 1 1 A 39 39 LYS HA H 39 3.967 3.929 0.038 1
1 414 . 15 1 1 A 39 39 LYS C C 39 178.806 178.278 0.528 1
1 415 . 15 1 1 A 39 39 LYS CA C 39 59.547 59.903 -0.356 1
1 416 . 15 1 1 A 39 39 LYS CB C 39 32.222 32.075 0.147 1
1 420 . 15 1 1 A 39 39 LYS N N 39 124.290 126.339 -2.049 1
1 421 . 15 1 1 A 40 40 ASN H H 40 8.873 8.130 0.743 1
1 422 . 15 1 1 A 40 40 ASN HA H 40 4.571 4.457 0.114 1
1 427 . 15 1 1 A 40 40 ASN C C 40 178.014 178.210 -0.196 1
1 428 . 15 1 1 A 40 40 ASN CA C 40 56.091 56.480 -0.389 1
1 429 . 15 1 1 A 40 40 ASN CB C 40 37.900 38.162 -0.262 1
1 430 . 15 1 1 A 40 40 ASN N N 40 119.722 117.960 1.762 1
1 432 . 15 1 1 A 41 41 GLU H H 41 7.881 8.059 -0.178 1
1 433 . 15 1 1 A 41 41 GLU HA H 41 4.192 4.021 0.171 1
1 438 . 15 1 1 A 41 41 GLU C C 41 178.917 179.375 -0.458 1
1 439 . 15 1 1 A 41 41 GLU CA C 41 59.213 59.419 -0.206 1
1 440 . 15 1 1 A 41 41 GLU CB C 41 29.520 29.437 0.083 1
1 442 . 15 1 1 A 41 41 GLU N N 41 124.025 119.773 4.252 1
1 443 . 15 1 1 A 42 42 VAL H H 42 8.061 8.198 -0.137 1
1 444 . 15 1 1 A 42 42 VAL HA H 42 3.397 3.590 -0.193 1
1 452 . 15 1 1 A 42 42 VAL C C 42 177.701 178.076 -0.375 1
1 453 . 15 1 1 A 42 42 VAL CA C 42 67.341 66.349 0.992 1
1 454 . 15 1 1 A 42 42 VAL CB C 42 32.075 31.499 0.576 1
1 457 . 15 1 1 A 42 42 VAL N N 42 117.921 121.247 -3.326 1
1 458 . 15 1 1 A 43 43 ALA H H 43 8.136 8.513 -0.377 1
1 459 . 15 1 1 A 43 43 ALA HA H 43 4.101 3.885 0.216 1
1 463 . 15 1 1 A 43 43 ALA C C 43 180.808 179.674 1.134 1
1 464 . 15 1 1 A 43 43 ALA CA C 43 55.404 55.453 -0.049 1
1 465 . 15 1 1 A 43 43 ALA CB C 43 17.722 18.433 -0.711 1
1 466 . 15 1 1 A 43 43 ALA N N 43 119.833 121.759 -1.926 1
1 467 . 15 1 1 A 44 44 ALA H H 44 7.664 8.224 -0.560 1
1 468 . 15 1 1 A 44 44 ALA HA H 44 4.234 4.036 0.198 1
1 472 . 15 1 1 A 44 44 ALA C C 44 180.953 180.141 0.812 1
1 473 . 15 1 1 A 44 44 ALA CA C 44 55.122 55.450 -0.328 1
1 474 . 15 1 1 A 44 44 ALA CB C 44 18.229 18.797 -0.568 1
1 475 . 15 1 1 A 44 44 ALA N N 44 121.026 119.685 1.341 1
1 476 . 15 1 1 A 45 45 GLU H H 45 7.837 7.494 0.343 1
1 477 . 15 1 1 A 45 45 GLU HA H 45 4.447 4.022 0.425 1
1 482 . 15 1 1 A 45 45 GLU C C 45 180.357 179.340 1.017 1
1 483 . 15 1 1 A 45 45 GLU CA C 45 57.467 59.395 -1.928 1
1 484 . 15 1 1 A 45 45 GLU CB C 45 28.255 30.038 -1.783 1
1 486 . 15 1 1 A 45 45 GLU N N 45 118.409 117.911 0.498 1
1 487 . 15 1 1 A 46 46 VAL H H 46 9.024 7.945 1.079 1
1 488 . 15 1 1 A 46 46 VAL HA H 46 3.638 3.545 0.093 1
1 496 . 15 1 1 A 46 46 VAL C C 46 177.712 177.948 -0.236 1
1 497 . 15 1 1 A 46 46 VAL CA C 46 66.961 66.656 0.305 1
1 498 . 15 1 1 A 46 46 VAL CB C 46 31.910 31.440 0.470 1
1 501 . 15 1 1 A 46 46 VAL N N 46 124.975 120.640 4.335 1
1 502 . 15 1 1 A 47 47 ALA H H 47 8.130 8.117 0.013 1
1 503 . 15 1 1 A 47 47 ALA HA H 47 4.093 4.045 0.048 1
1 507 . 15 1 1 A 47 47 ALA C C 47 180.853 179.329 1.524 1
1 508 . 15 1 1 A 47 47 ALA CA C 47 55.545 55.374 0.171 1
1 509 . 15 1 1 A 47 47 ALA CB C 47 17.683 18.539 -0.856 1
1 510 . 15 1 1 A 47 47 ALA N N 47 122.493 121.638 0.855 1
1 511 . 15 1 1 A 48 48 LYS H H 48 7.442 7.707 -0.265 1
1 512 . 15 1 1 A 48 48 LYS HA H 48 4.183 3.916 0.267 1
1 521 . 15 1 1 A 48 48 LYS C C 48 178.698 178.438 0.260 1
1 522 . 15 1 1 A 48 48 LYS CA C 48 59.389 59.802 -0.413 1
1 523 . 15 1 1 A 48 48 LYS CB C 48 32.610 32.559 0.051 1
1 527 . 15 1 1 A 48 48 LYS N N 48 118.186 118.721 -0.535 1
1 528 . 15 1 1 A 49 49 LEU H H 49 7.822 8.341 -0.519 1
1 529 . 15 1 1 A 49 49 LEU HA H 49 4.012 3.971 0.041 1
1 539 . 15 1 1 A 49 49 LEU C C 49 177.582 178.224 -0.642 1
1 540 . 15 1 1 A 49 49 LEU CA C 49 58.490 58.783 -0.293 1
1 541 . 15 1 1 A 49 49 LEU CB C 49 42.119 41.952 0.167 1
1 545 . 15 1 1 A 49 49 LEU N N 49 120.499 120.209 0.290 1
1 546 . 15 1 1 A 50 50 LEU H H 50 8.565 8.390 0.175 1
1 547 . 15 1 1 A 50 50 LEU HA H 50 3.994 3.919 0.075 1
1 557 . 15 1 1 A 50 50 LEU C C 50 180.128 179.012 1.116 1
1 558 . 15 1 1 A 50 50 LEU CA C 50 58.330 57.858 0.472 1
1 559 . 15 1 1 A 50 50 LEU CB C 50 41.060 41.740 -0.680 1
1 563 . 15 1 1 A 50 50 LEU N N 50 118.622 119.363 -0.741 1
1 564 . 15 1 1 A 51 51 ASP H H 51 7.962 8.145 -0.183 1
1 565 . 15 1 1 A 51 51 ASP HA H 51 4.480 4.448 0.032 1
1 568 . 15 1 1 A 51 51 ASP C C 51 178.808 178.700 0.108 1
1 569 . 15 1 1 A 51 51 ASP CA C 51 57.802 57.041 0.761 1
1 570 . 15 1 1 A 51 51 ASP CB C 51 41.435 40.945 0.490 1
1 571 . 15 1 1 A 51 51 ASP N N 51 120.483 119.832 0.651 1
1 572 . 15 1 1 A 52 52 LEU H H 52 8.228 8.341 -0.113 1
1 573 . 15 1 1 A 52 52 LEU HA H 52 4.006 4.116 -0.110 1
1 583 . 15 1 1 A 52 52 LEU C C 52 179.173 178.038 1.135 1
1 584 . 15 1 1 A 52 52 LEU CA C 52 58.190 56.634 1.556 1
1 585 . 15 1 1 A 52 52 LEU CB C 52 43.222 41.500 1.722 1
1 589 . 15 1 1 A 52 52 LEU N N 52 121.105 120.749 0.356 1
1 590 . 15 1 1 A 53 53 LYS H H 53 8.531 7.388 1.143 1
1 591 . 15 1 1 A 53 53 LYS HA H 53 3.872 4.297 -0.425 1
1 600 . 15 1 1 A 53 53 LYS C C 53 179.984 178.329 1.655 1
1 601 . 15 1 1 A 53 53 LYS CA C 53 60.699 57.583 3.116 1
1 602 . 15 1 1 A 53 53 LYS CB C 53 32.239 33.036 -0.797 1
1 606 . 15 1 1 A 53 53 LYS N N 53 118.013 119.185 -1.172 1
1 607 . 15 1 1 A 54 54 LYS H H 54 8.090 7.899 0.191 1
1 608 . 15 1 1 A 54 54 LYS HA H 54 4.165 4.123 0.042 1
1 616 . 15 1 1 A 54 54 LYS C C 54 178.638 178.822 -0.184 1
1 617 . 15 1 1 A 54 54 LYS CA C 54 59.847 58.962 0.885 1
1 618 . 15 1 1 A 54 54 LYS CB C 54 32.116 32.571 -0.455 1
1 622 . 15 1 1 A 54 54 LYS N N 54 122.616 118.509 4.107 1
1 623 . 15 1 1 A 55 55 GLN H H 55 8.214 8.348 -0.134 1
1 624 . 15 1 1 A 55 55 GLN HA H 55 3.976 4.055 -0.079 1
1 631 . 15 1 1 A 55 55 GLN C C 55 179.696 178.379 1.317 1
1 632 . 15 1 1 A 55 55 GLN CA C 55 59.177 58.666 0.511 1
1 633 . 15 1 1 A 55 55 GLN CB C 55 29.400 28.128 1.272 1
1 635 . 15 1 1 A 55 55 GLN N N 55 119.132 119.299 -0.167 1
1 637 . 15 1 1 A 56 56 LEU H H 56 8.506 7.996 0.510 1
1 638 . 15 1 1 A 56 56 LEU HA H 56 4.116 3.978 0.138 1
1 648 . 15 1 1 A 56 56 LEU C C 56 176.782 178.094 -1.312 1
1 649 . 15 1 1 A 56 56 LEU CA C 56 57.925 58.478 -0.553 1
1 650 . 15 1 1 A 56 56 LEU CB C 56 41.465 41.988 -0.523 1
1 654 . 15 1 1 A 56 56 LEU N N 56 122.033 122.158 -0.125 1
1 655 . 15 1 1 A 57 57 ALA H H 57 7.896 8.344 -0.448 1
1 656 . 15 1 1 A 57 57 ALA HA H 57 4.232 4.183 0.049 1
1 660 . 15 1 1 A 57 57 ALA C C 57 180.928 180.048 0.880 1
1 661 . 15 1 1 A 57 57 ALA CA C 57 55.246 55.412 -0.166 1
1 662 . 15 1 1 A 57 57 ALA CB C 57 17.776 18.392 -0.616 1
1 663 . 15 1 1 A 57 57 ALA N N 57 121.379 120.247 1.132 1
1 664 . 15 1 1 A 58 58 VAL H H 58 7.973 8.001 -0.028 1
1 665 . 15 1 1 A 58 58 VAL HA H 58 3.761 3.557 0.204 1
1 673 . 15 1 1 A 58 58 VAL C C 58 179.410 177.970 1.440 1
1 674 . 15 1 1 A 58 58 VAL CA C 58 65.807 66.812 -1.005 1
1 675 . 15 1 1 A 58 58 VAL CB C 58 31.978 31.502 0.476 1
1 678 . 15 1 1 A 58 58 VAL N N 58 117.592 118.291 -0.699 1
1 679 . 15 1 1 A 59 59 ALA H H 59 8.024 8.211 -0.187 1
1 680 . 15 1 1 A 59 59 ALA HA H 59 4.133 3.921 0.212 1
1 684 . 15 1 1 A 59 59 ALA C C 59 179.359 180.195 -0.836 1
1 685 . 15 1 1 A 59 59 ALA CA C 59 54.805 55.856 -1.051 1
1 686 . 15 1 1 A 59 59 ALA CB C 59 18.513 18.206 0.307 1
1 687 . 15 1 1 A 59 59 ALA N N 59 124.023 121.370 2.653 1
1 688 . 15 1 1 A 60 60 GLU H H 60 8.334 7.893 0.441 1
1 689 . 15 1 1 A 60 60 GLU HA H 60 4.143 4.091 0.052 1
1 694 . 15 1 1 A 60 60 GLU C C 60 177.391 177.049 0.342 1
1 695 . 15 1 1 A 60 60 GLU CA C 60 57.915 57.503 0.412 1
1 696 . 15 1 1 A 60 60 GLU CB C 60 30.962 29.975 0.987 1
1 698 . 15 1 1 A 60 60 GLU N N 60 115.335 114.974 0.361 1
1 699 . 15 1 1 A 61 61 GLY H H 61 7.845 8.223 -0.378 1
1 700 . 15 1 1 A 61 61 GLY HA2 H 61 3.958 3.990 -0.032 1
1 701 . 15 1 1 A 61 61 GLY HA3 H 61 3.958 3.990 -0.032 1
1 702 . 15 1 1 A 61 61 GLY C C 61 174.090 173.996 0.094 1
1 703 . 15 1 1 A 61 61 GLY CA C 61 45.654 45.477 0.177 1
1 704 . 15 1 1 A 61 61 GLY N N 61 107.486 107.766 -0.280 1
1 705 . 15 1 1 A 62 62 LYS H H 62 8.068 7.592 0.476 1
1 706 . 15 1 1 A 62 62 LYS HA H 62 4.612 4.792 -0.180 1
1 715 . 15 1 1 A 62 62 LYS C C 62 174.023 174.236 -0.213 1
1 716 . 15 1 1 A 62 62 LYS CA C 62 54.147 53.110 1.037 1
1 717 . 15 1 1 A 62 62 LYS CB C 62 32.651 33.405 -0.754 1
1 721 . 15 1 1 A 62 62 LYS N N 62 121.672 120.306 1.366 1
1 722 . 15 1 1 A 63 63 PRO HA H 63 4.692 4.623 0.069 1
1 729 . 15 1 1 A 63 63 PRO CA C 63 61.351 62.174 -0.823 1
1 730 . 15 1 1 A 63 63 PRO CB C 63 30.892 32.151 -1.259 1
1 733 . 15 1 1 A 64 64 PRO HA H 64 4.408 4.589 -0.181 1
1 740 . 15 1 1 A 64 64 PRO C C 64 176.775 177.203 -0.428 1
1 741 . 15 1 1 A 64 64 PRO CA C 64 62.926 62.338 0.588 1
1 742 . 15 1 1 A 64 64 PRO CB C 64 32.074 33.113 -1.039 1
1 745 . 15 1 1 A 65 65 GLU H H 65 8.396 9.112 -0.716 1
1 746 . 15 1 1 A 65 65 GLU HA H 65 4.243 4.014 0.229 1
1 751 . 15 1 1 A 65 65 GLU C C 65 175.888 176.170 -0.282 1
1 752 . 15 1 1 A 65 65 GLU CA C 65 56.083 59.580 -3.497 1
1 753 . 15 1 1 A 65 65 GLU CB C 65 30.722 29.615 1.107 1
1 755 . 15 1 1 A 65 65 GLU N N 65 121.093 121.705 -0.612 1
1 756 . 15 1 1 A 66 66 ALA H H 66 8.434 7.855 0.579 1
1 757 . 15 1 1 A 66 66 ALA HA H 66 4.583 3.918 0.665 1
1 761 . 15 1 1 A 66 66 ALA C C 66 175.504 175.890 -0.386 1
1 762 . 15 1 1 A 66 66 ALA CA C 66 50.482 52.804 -2.322 1
1 763 . 15 1 1 A 66 66 ALA CB C 66 18.108 17.269 0.839 1
1 764 . 15 1 1 A 66 66 ALA N N 66 127.348 121.512 5.836 1
1 765 . 15 1 1 A 67 67 PRO HA H 67 4.408 4.535 -0.127 1
1 772 . 15 1 1 A 67 67 PRO C C 67 177.111 177.162 -0.051 1
1 773 . 15 1 1 A 67 67 PRO CA C 67 63.056 62.852 0.204 1
1 774 . 15 1 1 A 67 67 PRO CB C 67 32.074 32.041 0.033 1
1 777 . 15 1 1 A 68 68 LYS H H 68 8.479 8.482 -0.003 1
1 778 . 15 1 1 A 68 68 LYS HA H 68 4.291 4.373 -0.082 1
1 787 . 15 1 1 A 68 68 LYS C C 68 177.292 176.589 0.703 1
1 788 . 15 1 1 A 68 68 LYS CA C 68 56.322 57.290 -0.968 1
1 789 . 15 1 1 A 68 68 LYS CB C 68 33.146 33.272 -0.126 1
1 793 . 15 1 1 A 68 68 LYS N N 68 121.836 122.748 -0.912 1
1 794 . 15 1 1 A 69 69 GLY H H 69 8.387 8.604 -0.217 1
1 795 . 15 1 1 A 69 69 GLY HA2 H 69 3.948 4.185 -0.237 1
1 796 . 15 1 1 A 69 69 GLY HA3 H 69 3.948 4.185 -0.237 1
1 797 . 15 1 1 A 69 69 GLY C C 69 173.940 173.333 0.607 1
1 798 . 15 1 1 A 69 69 GLY CA C 69 45.160 44.882 0.278 1
1 799 . 15 1 1 A 69 69 GLY N N 69 109.796 109.038 0.758 1
1 800 . 15 1 1 A 70 70 LYS H H 70 8.196 8.440 -0.244 1
1 801 . 15 1 1 A 70 70 LYS HA H 70 4.318 4.223 0.095 1
1 810 . 15 1 1 A 70 70 LYS C C 70 176.642 176.268 0.374 1
1 811 . 15 1 1 A 70 70 LYS CA C 70 56.127 56.589 -0.462 1
1 812 . 15 1 1 A 70 70 LYS CB C 70 33.272 32.787 0.485 1
1 816 . 15 1 1 A 70 70 LYS N N 70 121.044 121.866 -0.822 1
1 817 . 15 1 1 A 71 71 LYS H H 71 8.348 8.607 -0.259 1
1 818 . 15 1 1 A 71 71 LYS HA H 71 4.273 5.144 -0.871 1
1 827 . 15 1 1 A 71 71 LYS C C 71 176.548 174.456 2.092 1
1 828 . 15 1 1 A 71 71 LYS CA C 71 56.285 55.195 1.090 1
1 829 . 15 1 1 A 71 71 LYS CB C 71 33.270 36.093 -2.823 1
1 833 . 15 1 1 A 71 71 LYS N N 71 123.152 119.981 3.171 1
1 834 . 15 1 1 A 72 72 LYS H H 72 8.405 8.764 -0.359 1
1 835 . 15 1 1 A 72 72 LYS HA H 72 4.273 5.000 -0.727 1
1 836 . 15 1 1 A 72 72 LYS C C 72 176.499 176.038 0.461 1
1 837 . 15 1 1 A 72 72 LYS CA C 72 56.356 54.755 1.601 1
1 838 . 15 1 1 A 72 72 LYS CB C 72 33.146 35.232 -2.086 1
1 1 . 16 1 1 A 7 7 GLY HA2 H 7 4.042 4.137 -0.095 1
1 2 . 16 1 1 A 7 7 GLY HA3 H 7 4.042 4.137 -0.095 1
1 3 . 16 1 1 A 7 7 GLY C C 7 174.377 173.323 1.054 1
1 4 . 16 1 1 A 7 7 GLY CA C 7 45.425 46.057 -0.632 1
1 5 . 16 1 1 A 8 8 THR H H 8 8.131 7.962 0.169 1
1 6 . 16 1 1 A 8 8 THR HA H 8 4.448 4.403 0.045 1
1 11 . 16 1 1 A 8 8 THR C C 8 174.773 174.067 0.706 1
1 12 . 16 1 1 A 8 8 THR CA C 8 61.787 61.927 -0.140 1
1 13 . 16 1 1 A 8 8 THR CB C 8 69.913 68.734 1.179 1
1 15 . 16 1 1 A 8 8 THR N N 8 113.630 115.095 -1.465 1
1 16 . 16 1 1 A 9 9 THR H H 9 8.180 8.467 -0.287 1
1 17 . 16 1 1 A 9 9 THR HA H 9 4.355 4.223 0.132 1
1 22 . 16 1 1 A 9 9 THR C C 9 174.203 173.404 0.799 1
1 23 . 16 1 1 A 9 9 THR CA C 9 61.892 63.170 -1.278 1
1 24 . 16 1 1 A 9 9 THR CB C 9 69.891 69.190 0.701 1
1 26 . 16 1 1 A 9 9 THR N N 9 116.604 120.452 -3.848 1
1 27 . 16 1 1 A 10 10 ALA H H 10 8.405 8.608 -0.203 1
1 28 . 16 1 1 A 10 10 ALA HA H 10 4.376 4.932 -0.556 1
1 32 . 16 1 1 A 10 10 ALA C C 10 177.430 177.673 -0.243 1
1 33 . 16 1 1 A 10 10 ALA CA C 10 52.317 51.162 1.155 1
1 34 . 16 1 1 A 10 10 ALA CB C 10 19.506 22.198 -2.692 1
1 35 . 16 1 1 A 10 10 ALA N N 10 126.934 130.960 -4.026 1
1 36 . 16 1 1 A 11 11 LYS H H 11 8.462 8.817 -0.355 1
1 37 . 16 1 1 A 11 11 LYS HA H 11 4.575 3.982 0.593 1
1 46 . 16 1 1 A 11 11 LYS C C 11 174.921 175.769 -0.848 1
1 47 . 16 1 1 A 11 11 LYS CA C 11 55.122 61.328 -6.206 1
1 48 . 16 1 1 A 11 11 LYS CB C 11 31.910 30.763 1.147 1
1 52 . 16 1 1 A 11 11 LYS N N 11 121.526 123.380 -1.854 1
1 53 . 16 1 1 A 12 12 PRO HA H 12 4.363 4.420 -0.057 1
1 60 . 16 1 1 A 12 12 PRO C C 12 178.290 178.679 -0.389 1
1 61 . 16 1 1 A 12 12 PRO CA C 12 64.502 64.642 -0.140 1
1 62 . 16 1 1 A 12 12 PRO CB C 12 31.992 31.424 0.568 1
1 65 . 16 1 1 A 13 13 GLN H H 13 8.665 8.222 0.443 1
1 66 . 16 1 1 A 13 13 GLN HA H 13 4.158 4.237 -0.079 1
1 73 . 16 1 1 A 13 13 GLN C C 13 177.727 177.619 0.108 1
1 74 . 16 1 1 A 13 13 GLN CA C 13 58.366 58.571 -0.205 1
1 75 . 16 1 1 A 13 13 GLN CB C 13 28.584 29.218 -0.634 1
1 77 . 16 1 1 A 13 13 GLN N N 13 119.964 117.853 2.111 1
1 79 . 16 1 1 A 14 14 GLN H H 14 8.376 8.154 0.222 1
1 80 . 16 1 1 A 14 14 GLN HA H 14 4.217 4.103 0.114 1
1 87 . 16 1 1 A 14 14 GLN C C 14 178.304 178.039 0.265 1
1 88 . 16 1 1 A 14 14 GLN CA C 14 58.190 58.194 -0.004 1
1 89 . 16 1 1 A 14 14 GLN CB C 14 28.639 28.617 0.022 1
1 91 . 16 1 1 A 14 14 GLN N N 14 120.039 117.277 2.762 1
1 93 . 16 1 1 A 15 15 ILE H H 15 7.802 7.580 0.222 1
1 94 . 16 1 1 A 15 15 ILE HA H 15 3.654 3.650 0.004 1
1 104 . 16 1 1 A 15 15 ILE C C 15 177.183 178.044 -0.861 1
1 105 . 16 1 1 A 15 15 ILE CA C 15 64.643 65.237 -0.594 1
1 106 . 16 1 1 A 15 15 ILE CB C 15 37.828 37.759 0.069 1
1 110 . 16 1 1 A 15 15 ILE N N 15 119.981 121.413 -1.432 1
1 111 . 16 1 1 A 16 16 GLN H H 16 8.159 7.935 0.224 1
1 112 . 16 1 1 A 16 16 GLN HA H 16 3.958 3.952 0.006 1
1 119 . 16 1 1 A 16 16 GLN C C 16 177.647 177.928 -0.281 1
1 120 . 16 1 1 A 16 16 GLN CA C 16 58.648 58.847 -0.199 1
1 121 . 16 1 1 A 16 16 GLN CB C 16 28.531 28.825 -0.294 1
1 123 . 16 1 1 A 16 16 GLN N N 16 119.695 119.954 -0.259 1
1 125 . 16 1 1 A 17 17 ALA H H 17 7.946 7.533 0.413 1
1 126 . 16 1 1 A 17 17 ALA HA H 17 4.239 4.103 0.136 1
1 130 . 16 1 1 A 17 17 ALA C C 17 180.910 180.139 0.771 1
1 131 . 16 1 1 A 17 17 ALA CA C 17 55.106 55.163 -0.057 1
1 132 . 16 1 1 A 17 17 ALA CB C 17 17.990 18.068 -0.078 1
1 133 . 16 1 1 A 17 17 ALA N N 17 120.227 121.776 -1.549 1
1 134 . 16 1 1 A 18 18 LEU H H 18 7.682 8.458 -0.776 1
1 135 . 16 1 1 A 18 18 LEU HA H 18 4.187 3.888 0.299 1
1 145 . 16 1 1 A 18 18 LEU C C 18 178.977 179.081 -0.104 1
1 146 . 16 1 1 A 18 18 LEU CA C 18 57.890 58.062 -0.172 1
1 147 . 16 1 1 A 18 18 LEU CB C 18 43.361 41.785 1.576 1
1 151 . 16 1 1 A 18 18 LEU N N 18 119.764 118.670 1.094 1
1 152 . 16 1 1 A 19 19 MET H H 19 8.699 8.462 0.237 1
1 153 . 16 1 1 A 19 19 MET HA H 19 3.965 4.101 -0.136 1
1 161 . 16 1 1 A 19 19 MET C C 19 179.207 178.058 1.149 1
1 162 . 16 1 1 A 19 19 MET CA C 19 59.794 58.862 0.932 1
1 163 . 16 1 1 A 19 19 MET CB C 19 32.445 32.034 0.411 1
1 166 . 16 1 1 A 19 19 MET N N 19 119.982 116.705 3.277 1
1 167 . 16 1 1 A 20 20 ASP H H 20 8.435 8.025 0.410 1
1 168 . 16 1 1 A 20 20 ASP HA H 20 4.453 4.335 0.118 1
1 171 . 16 1 1 A 20 20 ASP C C 20 179.127 177.927 1.200 1
1 172 . 16 1 1 A 20 20 ASP CA C 20 57.449 57.237 0.212 1
1 173 . 16 1 1 A 20 20 ASP CB C 20 39.986 41.022 -1.036 1
1 174 . 16 1 1 A 20 20 ASP N N 20 120.434 120.529 -0.095 1
1 175 . 16 1 1 A 21 21 GLU H H 21 8.150 8.107 0.043 1
1 176 . 16 1 1 A 21 21 GLU HA H 21 4.168 4.090 0.078 1
1 181 . 16 1 1 A 21 21 GLU C C 21 179.405 178.962 0.443 1
1 182 . 16 1 1 A 21 21 GLU CA C 21 59.477 59.210 0.267 1
1 183 . 16 1 1 A 21 21 GLU CB C 21 29.441 29.309 0.132 1
1 185 . 16 1 1 A 21 21 GLU N N 21 122.159 117.784 4.375 1
1 186 . 16 1 1 A 22 22 VAL H H 22 8.754 8.373 0.381 1
1 187 . 16 1 1 A 22 22 VAL HA H 22 3.484 3.611 -0.127 1
1 195 . 16 1 1 A 22 22 VAL C C 22 179.177 178.228 0.949 1
1 196 . 16 1 1 A 22 22 VAL CA C 22 67.545 66.590 0.955 1
1 197 . 16 1 1 A 22 22 VAL CB C 22 31.712 31.698 0.014 1
1 200 . 16 1 1 A 22 22 VAL N N 22 121.967 121.012 0.955 1
1 201 . 16 1 1 A 23 23 THR H H 23 8.410 8.030 0.380 1
1 202 . 16 1 1 A 23 23 THR HA H 23 3.888 3.775 0.113 1
1 207 . 16 1 1 A 23 23 THR C C 23 176.515 176.024 0.491 1
1 208 . 16 1 1 A 23 23 THR CA C 23 66.706 66.711 -0.005 1
1 209 . 16 1 1 A 23 23 THR CB C 23 68.646 68.501 0.145 1
1 211 . 16 1 1 A 23 23 THR N N 23 119.619 115.802 3.817 1
1 212 . 16 1 1 A 24 24 LYS H H 24 8.179 8.094 0.085 1
1 213 . 16 1 1 A 24 24 LYS HA H 24 4.055 3.914 0.141 1
1 219 . 16 1 1 A 24 24 LYS C C 24 179.223 178.749 0.474 1
1 220 . 16 1 1 A 24 24 LYS CA C 24 59.865 59.827 0.038 1
1 221 . 16 1 1 A 24 24 LYS CB C 24 32.733 32.380 0.353 1
1 225 . 16 1 1 A 24 24 LYS N N 24 122.464 121.055 1.409 1
1 226 . 16 1 1 A 25 25 GLN H H 25 8.791 7.903 0.888 1
1 227 . 16 1 1 A 25 25 GLN HA H 25 4.266 3.994 0.272 1
1 234 . 16 1 1 A 25 25 GLN C C 25 178.359 178.722 -0.363 1
1 235 . 16 1 1 A 25 25 GLN CA C 25 57.273 59.355 -2.082 1
1 236 . 16 1 1 A 25 25 GLN CB C 25 26.830 28.577 -1.747 1
1 238 . 16 1 1 A 25 25 GLN N N 25 120.181 118.736 1.445 1
1 240 . 16 1 1 A 26 26 GLY H H 26 8.828 8.183 0.645 1
1 241 . 16 1 1 A 26 26 GLY HA2 H 26 4.099 3.798 0.301 1
1 242 . 16 1 1 A 26 26 GLY HA3 H 26 3.788 3.798 -0.010 1
1 243 . 16 1 1 A 26 26 GLY C C 26 176.618 176.107 0.511 1
1 244 . 16 1 1 A 26 26 GLY CA C 26 47.161 47.435 -0.274 1
1 245 . 16 1 1 A 26 26 GLY N N 26 108.597 107.496 1.101 1
1 246 . 16 1 1 A 27 27 ASN H H 27 7.910 7.589 0.321 1
1 247 . 16 1 1 A 27 27 ASN HA H 27 4.582 4.429 0.153 1
1 252 . 16 1 1 A 27 27 ASN C C 27 177.317 177.711 -0.394 1
1 253 . 16 1 1 A 27 27 ASN CA C 27 56.074 55.829 0.245 1
1 254 . 16 1 1 A 27 27 ASN CB C 27 37.729 38.572 -0.843 1
1 255 . 16 1 1 A 27 27 ASN N N 27 121.818 119.603 2.215 1
1 257 . 16 1 1 A 28 28 ILE H H 28 7.811 8.108 -0.297 1
1 258 . 16 1 1 A 28 28 ILE HA H 28 3.789 3.667 0.122 1
1 268 . 16 1 1 A 28 28 ILE C C 28 178.445 178.283 0.162 1
1 269 . 16 1 1 A 28 28 ILE CA C 28 65.117 65.447 -0.330 1
1 270 . 16 1 1 A 28 28 ILE CB C 28 37.914 37.941 -0.027 1
1 274 . 16 1 1 A 28 28 ILE N N 28 123.083 120.194 2.889 1
1 275 . 16 1 1 A 29 29 VAL H H 29 8.018 7.985 0.033 1
1 276 . 16 1 1 A 29 29 VAL HA H 29 3.399 3.448 -0.049 1
1 284 . 16 1 1 A 29 29 VAL C C 29 176.953 178.031 -1.078 1
1 285 . 16 1 1 A 29 29 VAL CA C 29 67.541 67.006 0.535 1
1 286 . 16 1 1 A 29 29 VAL CB C 29 32.013 31.443 0.570 1
1 289 . 16 1 1 A 29 29 VAL N N 29 119.117 120.032 -0.915 1
1 290 . 16 1 1 A 30 30 ARG H H 30 7.965 7.631 0.334 1
1 291 . 16 1 1 A 30 30 ARG HA H 30 3.928 3.933 -0.005 1
1 298 . 16 1 1 A 30 30 ARG C C 30 179.609 178.755 0.854 1
1 299 . 16 1 1 A 30 30 ARG CA C 30 60.006 59.547 0.459 1
1 300 . 16 1 1 A 30 30 ARG CB C 30 30.302 29.717 0.585 1
1 303 . 16 1 1 A 30 30 ARG N N 30 118.510 119.699 -1.189 1
1 304 . 16 1 1 A 31 31 GLU H H 31 8.211 8.032 0.179 1
1 305 . 16 1 1 A 31 31 GLU HA H 31 4.167 4.041 0.126 1
1 310 . 16 1 1 A 31 31 GLU C C 31 178.910 179.247 -0.337 1
1 311 . 16 1 1 A 31 31 GLU CA C 31 59.195 58.846 0.349 1
1 312 . 16 1 1 A 31 31 GLU CB C 31 29.437 29.647 -0.210 1
1 314 . 16 1 1 A 31 31 GLU N N 31 120.110 119.142 0.968 1
1 315 . 16 1 1 A 32 32 LEU H H 32 8.287 8.185 0.102 1
1 316 . 16 1 1 A 32 32 LEU HA H 32 4.021 3.936 0.085 1
1 326 . 16 1 1 A 32 32 LEU C C 32 179.931 178.856 1.075 1
1 327 . 16 1 1 A 32 32 LEU CA C 32 57.979 57.606 0.373 1
1 328 . 16 1 1 A 32 32 LEU CB C 32 42.524 41.691 0.833 1
1 332 . 16 1 1 A 32 32 LEU N N 32 120.148 120.705 -0.557 1
1 333 . 16 1 1 A 33 33 LYS H H 33 8.205 8.064 0.141 1
1 334 . 16 1 1 A 33 33 LYS HA H 33 4.048 4.000 0.048 1
1 343 . 16 1 1 A 33 33 LYS C C 33 180.739 179.066 1.673 1
1 344 . 16 1 1 A 33 33 LYS CA C 33 59.883 59.421 0.462 1
1 345 . 16 1 1 A 33 33 LYS CB C 33 32.569 32.226 0.343 1
1 349 . 16 1 1 A 33 33 LYS N N 33 117.234 117.345 -0.111 1
1 350 . 16 1 1 A 34 34 ALA H H 34 8.101 7.580 0.521 1
1 351 . 16 1 1 A 34 34 ALA HA H 34 4.185 4.155 0.030 1
1 355 . 16 1 1 A 34 34 ALA C C 34 179.304 178.767 0.537 1
1 356 . 16 1 1 A 34 34 ALA CA C 34 54.734 54.622 0.112 1
1 357 . 16 1 1 A 34 34 ALA CB C 34 18.190 18.216 -0.026 1
1 358 . 16 1 1 A 34 34 ALA N N 34 123.540 120.960 2.580 1
1 359 . 16 1 1 A 35 35 GLN H H 35 7.815 7.971 -0.156 1
1 360 . 16 1 1 A 35 35 GLN HA H 35 4.299 4.429 -0.130 1
1 367 . 16 1 1 A 35 35 GLN C C 35 175.344 174.511 0.833 1
1 368 . 16 1 1 A 35 35 GLN CA C 35 55.342 55.250 0.092 1
1 369 . 16 1 1 A 35 35 GLN CB C 35 28.819 28.658 0.161 1
1 371 . 16 1 1 A 35 35 GLN N N 35 115.126 114.545 0.581 1
1 373 . 16 1 1 A 36 36 LYS H H 36 7.948 7.906 0.042 1
1 374 . 16 1 1 A 36 36 LYS HA H 36 3.963 3.801 0.162 1
1 382 . 16 1 1 A 36 36 LYS C C 36 175.883 175.712 0.171 1
1 383 . 16 1 1 A 36 36 LYS CA C 36 56.872 57.275 -0.403 1
1 384 . 16 1 1 A 36 36 LYS CB C 36 28.917 29.880 -0.963 1
1 388 . 16 1 1 A 36 36 LYS N N 36 117.310 115.757 1.553 1
1 389 . 16 1 1 A 37 37 ALA H H 37 7.646 7.667 -0.021 1
1 390 . 16 1 1 A 37 37 ALA HA H 37 4.226 4.255 -0.029 1
1 394 . 16 1 1 A 37 37 ALA C C 37 176.094 176.152 -0.058 1
1 395 . 16 1 1 A 37 37 ALA CA C 37 52.143 52.448 -0.305 1
1 396 . 16 1 1 A 37 37 ALA CB C 37 20.742 20.019 0.723 1
1 397 . 16 1 1 A 37 37 ALA N N 37 120.112 119.042 1.070 1
1 398 . 16 1 1 A 38 38 ASP H H 38 8.474 8.375 0.099 1
1 399 . 16 1 1 A 38 38 ASP HA H 38 4.387 4.605 -0.218 1
1 402 . 16 1 1 A 38 38 ASP C C 38 177.481 177.491 -0.010 1
1 403 . 16 1 1 A 38 38 ASP CA C 38 54.992 54.377 0.615 1
1 404 . 16 1 1 A 38 38 ASP CB C 38 43.156 42.602 0.554 1
1 405 . 16 1 1 A 38 38 ASP N N 38 119.141 120.407 -1.266 1
1 406 . 16 1 1 A 39 39 LYS H H 39 8.703 8.521 0.182 1
1 407 . 16 1 1 A 39 39 LYS HA H 39 3.967 3.941 0.026 1
1 414 . 16 1 1 A 39 39 LYS C C 39 178.806 178.156 0.650 1
1 415 . 16 1 1 A 39 39 LYS CA C 39 59.547 60.156 -0.609 1
1 416 . 16 1 1 A 39 39 LYS CB C 39 32.222 32.279 -0.057 1
1 420 . 16 1 1 A 39 39 LYS N N 39 124.290 126.059 -1.769 1
1 421 . 16 1 1 A 40 40 ASN H H 40 8.873 8.307 0.566 1
1 422 . 16 1 1 A 40 40 ASN HA H 40 4.571 4.414 0.157 1
1 427 . 16 1 1 A 40 40 ASN C C 40 178.014 178.380 -0.366 1
1 428 . 16 1 1 A 40 40 ASN CA C 40 56.091 56.478 -0.387 1
1 429 . 16 1 1 A 40 40 ASN CB C 40 37.900 37.705 0.195 1
1 430 . 16 1 1 A 40 40 ASN N N 40 119.722 117.995 1.727 1
1 432 . 16 1 1 A 41 41 GLU H H 41 7.881 7.829 0.052 1
1 433 . 16 1 1 A 41 41 GLU HA H 41 4.192 4.044 0.148 1
1 438 . 16 1 1 A 41 41 GLU C C 41 178.917 179.434 -0.517 1
1 439 . 16 1 1 A 41 41 GLU CA C 41 59.213 59.407 -0.194 1
1 440 . 16 1 1 A 41 41 GLU CB C 41 29.520 29.412 0.108 1
1 442 . 16 1 1 A 41 41 GLU N N 41 124.025 119.505 4.520 1
1 443 . 16 1 1 A 42 42 VAL H H 42 8.061 8.152 -0.091 1
1 444 . 16 1 1 A 42 42 VAL HA H 42 3.397 3.649 -0.252 1
1 452 . 16 1 1 A 42 42 VAL C C 42 177.701 178.011 -0.310 1
1 453 . 16 1 1 A 42 42 VAL CA C 42 67.341 66.398 0.943 1
1 454 . 16 1 1 A 42 42 VAL CB C 42 32.075 31.575 0.500 1
1 457 . 16 1 1 A 42 42 VAL N N 42 117.921 120.176 -2.255 1
1 458 . 16 1 1 A 43 43 ALA H H 43 8.136 8.762 -0.626 1
1 459 . 16 1 1 A 43 43 ALA HA H 43 4.101 3.885 0.216 1
1 463 . 16 1 1 A 43 43 ALA C C 43 180.808 179.527 1.281 1
1 464 . 16 1 1 A 43 43 ALA CA C 43 55.404 55.546 -0.142 1
1 465 . 16 1 1 A 43 43 ALA CB C 43 17.722 18.338 -0.616 1
1 466 . 16 1 1 A 43 43 ALA N N 43 119.833 121.921 -2.088 1
1 467 . 16 1 1 A 44 44 ALA H H 44 7.664 7.925 -0.261 1
1 468 . 16 1 1 A 44 44 ALA HA H 44 4.234 3.972 0.262 1
1 472 . 16 1 1 A 44 44 ALA C C 44 180.953 180.200 0.753 1
1 473 . 16 1 1 A 44 44 ALA CA C 44 55.122 55.249 -0.127 1
1 474 . 16 1 1 A 44 44 ALA CB C 44 18.229 18.561 -0.332 1
1 475 . 16 1 1 A 44 44 ALA N N 44 121.026 119.303 1.723 1
1 476 . 16 1 1 A 45 45 GLU H H 45 7.837 7.628 0.209 1
1 477 . 16 1 1 A 45 45 GLU HA H 45 4.447 4.002 0.445 1
1 482 . 16 1 1 A 45 45 GLU C C 45 180.357 179.318 1.039 1
1 483 . 16 1 1 A 45 45 GLU CA C 45 57.467 59.609 -2.142 1
1 484 . 16 1 1 A 45 45 GLU CB C 45 28.255 29.617 -1.362 1
1 486 . 16 1 1 A 45 45 GLU N N 45 118.409 117.872 0.537 1
1 487 . 16 1 1 A 46 46 VAL H H 46 9.024 8.372 0.652 1
1 488 . 16 1 1 A 46 46 VAL HA H 46 3.638 3.576 0.062 1
1 496 . 16 1 1 A 46 46 VAL C C 46 177.712 177.894 -0.182 1
1 497 . 16 1 1 A 46 46 VAL CA C 46 66.961 66.733 0.228 1
1 498 . 16 1 1 A 46 46 VAL CB C 46 31.910 31.512 0.398 1
1 501 . 16 1 1 A 46 46 VAL N N 46 124.975 120.882 4.093 1
1 502 . 16 1 1 A 47 47 ALA H H 47 8.130 8.158 -0.028 1
1 503 . 16 1 1 A 47 47 ALA HA H 47 4.093 4.002 0.091 1
1 507 . 16 1 1 A 47 47 ALA C C 47 180.853 179.091 1.762 1
1 508 . 16 1 1 A 47 47 ALA CA C 47 55.545 55.584 -0.039 1
1 509 . 16 1 1 A 47 47 ALA CB C 47 17.683 18.340 -0.657 1
1 510 . 16 1 1 A 47 47 ALA N N 47 122.493 121.569 0.924 1
1 511 . 16 1 1 A 48 48 LYS H H 48 7.442 7.926 -0.484 1
1 512 . 16 1 1 A 48 48 LYS HA H 48 4.183 3.917 0.266 1
1 521 . 16 1 1 A 48 48 LYS C C 48 178.698 178.386 0.312 1
1 522 . 16 1 1 A 48 48 LYS CA C 48 59.389 59.958 -0.569 1
1 523 . 16 1 1 A 48 48 LYS CB C 48 32.610 32.400 0.210 1
1 527 . 16 1 1 A 48 48 LYS N N 48 118.186 118.446 -0.260 1
1 528 . 16 1 1 A 49 49 LEU H H 49 7.822 8.579 -0.757 1
1 529 . 16 1 1 A 49 49 LEU HA H 49 4.012 3.963 0.049 1
1 539 . 16 1 1 A 49 49 LEU C C 49 177.582 178.436 -0.854 1
1 540 . 16 1 1 A 49 49 LEU CA C 49 58.490 58.496 -0.006 1
1 541 . 16 1 1 A 49 49 LEU CB C 49 42.119 41.908 0.211 1
1 545 . 16 1 1 A 49 49 LEU N N 49 120.499 120.557 -0.058 1
1 546 . 16 1 1 A 50 50 LEU H H 50 8.565 7.968 0.597 1
1 547 . 16 1 1 A 50 50 LEU HA H 50 3.994 3.904 0.090 1
1 557 . 16 1 1 A 50 50 LEU C C 50 180.128 178.782 1.346 1
1 558 . 16 1 1 A 50 50 LEU CA C 50 58.330 58.162 0.168 1
1 559 . 16 1 1 A 50 50 LEU CB C 50 41.060 41.593 -0.533 1
1 563 . 16 1 1 A 50 50 LEU N N 50 118.622 119.227 -0.605 1
1 564 . 16 1 1 A 51 51 ASP H H 51 7.962 7.700 0.262 1
1 565 . 16 1 1 A 51 51 ASP HA H 51 4.480 4.361 0.119 1
1 568 . 16 1 1 A 51 51 ASP C C 51 178.808 178.020 0.788 1
1 569 . 16 1 1 A 51 51 ASP CA C 51 57.802 57.241 0.561 1
1 570 . 16 1 1 A 51 51 ASP CB C 51 41.435 42.364 -0.929 1
1 571 . 16 1 1 A 51 51 ASP N N 51 120.483 118.369 2.114 1
1 572 . 16 1 1 A 52 52 LEU H H 52 8.228 7.905 0.323 1
1 573 . 16 1 1 A 52 52 LEU HA H 52 4.006 4.089 -0.083 1
1 583 . 16 1 1 A 52 52 LEU C C 52 179.173 179.660 -0.487 1
1 584 . 16 1 1 A 52 52 LEU CA C 52 58.190 57.477 0.713 1
1 585 . 16 1 1 A 52 52 LEU CB C 52 43.222 41.508 1.714 1
1 589 . 16 1 1 A 52 52 LEU N N 52 121.105 119.265 1.840 1
1 590 . 16 1 1 A 53 53 LYS H H 53 8.531 8.441 0.090 1
1 591 . 16 1 1 A 53 53 LYS HA H 53 3.872 4.076 -0.204 1
1 600 . 16 1 1 A 53 53 LYS C C 53 179.984 178.973 1.011 1
1 601 . 16 1 1 A 53 53 LYS CA C 53 60.699 59.555 1.144 1
1 602 . 16 1 1 A 53 53 LYS CB C 53 32.239 32.276 -0.037 1
1 606 . 16 1 1 A 53 53 LYS N N 53 118.013 118.700 -0.687 1
1 607 . 16 1 1 A 54 54 LYS H H 54 8.090 8.234 -0.144 1
1 608 . 16 1 1 A 54 54 LYS HA H 54 4.165 4.103 0.062 1
1 616 . 16 1 1 A 54 54 LYS C C 54 178.638 178.801 -0.163 1
1 617 . 16 1 1 A 54 54 LYS CA C 54 59.847 59.100 0.747 1
1 618 . 16 1 1 A 54 54 LYS CB C 54 32.116 32.274 -0.158 1
1 622 . 16 1 1 A 54 54 LYS N N 54 122.616 118.969 3.647 1
1 623 . 16 1 1 A 55 55 GLN H H 55 8.214 8.038 0.176 1
1 624 . 16 1 1 A 55 55 GLN HA H 55 3.976 4.062 -0.086 1
1 631 . 16 1 1 A 55 55 GLN C C 55 179.696 178.266 1.430 1
1 632 . 16 1 1 A 55 55 GLN CA C 55 59.177 58.594 0.583 1
1 633 . 16 1 1 A 55 55 GLN CB C 55 29.400 28.424 0.976 1
1 635 . 16 1 1 A 55 55 GLN N N 55 119.132 119.200 -0.068 1
1 637 . 16 1 1 A 56 56 LEU H H 56 8.506 7.990 0.516 1
1 638 . 16 1 1 A 56 56 LEU HA H 56 4.116 3.998 0.118 1
1 648 . 16 1 1 A 56 56 LEU C C 56 176.782 178.195 -1.413 1
1 649 . 16 1 1 A 56 56 LEU CA C 56 57.925 58.545 -0.620 1
1 650 . 16 1 1 A 56 56 LEU CB C 56 41.465 41.902 -0.437 1
1 654 . 16 1 1 A 56 56 LEU N N 56 122.033 122.139 -0.106 1
1 655 . 16 1 1 A 57 57 ALA H H 57 7.896 8.316 -0.420 1
1 656 . 16 1 1 A 57 57 ALA HA H 57 4.232 4.036 0.196 1
1 660 . 16 1 1 A 57 57 ALA C C 57 180.928 180.101 0.827 1
1 661 . 16 1 1 A 57 57 ALA CA C 57 55.246 55.548 -0.302 1
1 662 . 16 1 1 A 57 57 ALA CB C 57 17.776 18.413 -0.637 1
1 663 . 16 1 1 A 57 57 ALA N N 57 121.379 120.098 1.281 1
1 664 . 16 1 1 A 58 58 VAL H H 58 7.973 7.781 0.192 1
1 665 . 16 1 1 A 58 58 VAL HA H 58 3.761 3.922 -0.161 1
1 673 . 16 1 1 A 58 58 VAL C C 58 179.410 178.018 1.392 1
1 674 . 16 1 1 A 58 58 VAL CA C 58 65.807 66.750 -0.943 1
1 675 . 16 1 1 A 58 58 VAL CB C 58 31.978 31.525 0.453 1
1 678 . 16 1 1 A 58 58 VAL N N 58 117.592 117.997 -0.405 1
1 679 . 16 1 1 A 59 59 ALA H H 59 8.024 8.288 -0.264 1
1 680 . 16 1 1 A 59 59 ALA HA H 59 4.133 3.964 0.169 1
1 684 . 16 1 1 A 59 59 ALA C C 59 179.359 179.922 -0.563 1
1 685 . 16 1 1 A 59 59 ALA CA C 59 54.805 55.869 -1.064 1
1 686 . 16 1 1 A 59 59 ALA CB C 59 18.513 18.363 0.150 1
1 687 . 16 1 1 A 59 59 ALA N N 59 124.023 121.461 2.562 1
1 688 . 16 1 1 A 60 60 GLU H H 60 8.334 7.922 0.412 1
1 689 . 16 1 1 A 60 60 GLU HA H 60 4.143 4.092 0.051 1
1 694 . 16 1 1 A 60 60 GLU C C 60 177.391 176.377 1.014 1
1 695 . 16 1 1 A 60 60 GLU CA C 60 57.915 58.361 -0.446 1
1 696 . 16 1 1 A 60 60 GLU CB C 60 30.962 30.180 0.782 1
1 698 . 16 1 1 A 60 60 GLU N N 60 115.335 117.102 -1.767 1
1 699 . 16 1 1 A 61 61 GLY H H 61 7.845 8.089 -0.244 1
1 700 . 16 1 1 A 61 61 GLY HA2 H 61 3.958 4.031 -0.073 1
1 701 . 16 1 1 A 61 61 GLY HA3 H 61 3.958 4.031 -0.073 1
1 702 . 16 1 1 A 61 61 GLY C C 61 174.090 174.865 -0.775 1
1 703 . 16 1 1 A 61 61 GLY CA C 61 45.654 45.475 0.179 1
1 704 . 16 1 1 A 61 61 GLY N N 61 107.486 106.997 0.489 1
1 705 . 16 1 1 A 62 62 LYS H H 62 8.068 7.795 0.273 1
1 706 . 16 1 1 A 62 62 LYS HA H 62 4.612 4.317 0.295 1
1 715 . 16 1 1 A 62 62 LYS C C 62 174.023 174.485 -0.462 1
1 716 . 16 1 1 A 62 62 LYS CA C 62 54.147 55.021 -0.874 1
1 717 . 16 1 1 A 62 62 LYS CB C 62 32.651 31.946 0.705 1
1 721 . 16 1 1 A 62 62 LYS N N 62 121.672 121.399 0.273 1
1 722 . 16 1 1 A 63 63 PRO HA H 63 4.692 4.682 0.010 1
1 729 . 16 1 1 A 63 63 PRO CA C 63 61.351 61.520 -0.169 1
1 730 . 16 1 1 A 63 63 PRO CB C 63 30.892 31.582 -0.690 1
1 733 . 16 1 1 A 64 64 PRO HA H 64 4.408 4.567 -0.159 1
1 740 . 16 1 1 A 64 64 PRO C C 64 176.775 176.526 0.249 1
1 741 . 16 1 1 A 64 64 PRO CA C 64 62.926 62.281 0.645 1
1 742 . 16 1 1 A 64 64 PRO CB C 64 32.074 33.332 -1.258 1
1 745 . 16 1 1 A 65 65 GLU H H 65 8.396 8.721 -0.325 1
1 746 . 16 1 1 A 65 65 GLU HA H 65 4.243 4.474 -0.231 1
1 751 . 16 1 1 A 65 65 GLU C C 65 175.888 176.079 -0.191 1
1 752 . 16 1 1 A 65 65 GLU CA C 65 56.083 56.079 0.004 1
1 753 . 16 1 1 A 65 65 GLU CB C 65 30.722 28.981 1.741 1
1 755 . 16 1 1 A 65 65 GLU N N 65 121.093 120.077 1.016 1
1 756 . 16 1 1 A 66 66 ALA H H 66 8.434 7.542 0.892 1
1 757 . 16 1 1 A 66 66 ALA HA H 66 4.583 4.195 0.388 1
1 761 . 16 1 1 A 66 66 ALA C C 66 175.504 175.888 -0.384 1
1 762 . 16 1 1 A 66 66 ALA CA C 66 50.482 50.680 -0.198 1
1 763 . 16 1 1 A 66 66 ALA CB C 66 18.108 19.342 -1.234 1
1 764 . 16 1 1 A 66 66 ALA N N 66 127.348 123.418 3.930 1
1 765 . 16 1 1 A 67 67 PRO HA H 67 4.408 4.599 -0.191 1
1 772 . 16 1 1 A 67 67 PRO C C 67 177.111 175.802 1.309 1
1 773 . 16 1 1 A 67 67 PRO CA C 67 63.056 62.582 0.474 1
1 774 . 16 1 1 A 67 67 PRO CB C 67 32.074 32.538 -0.464 1
1 777 . 16 1 1 A 68 68 LYS H H 68 8.479 8.422 0.057 1
1 778 . 16 1 1 A 68 68 LYS HA H 68 4.291 4.625 -0.334 1
1 787 . 16 1 1 A 68 68 LYS C C 68 177.292 176.110 1.182 1
1 788 . 16 1 1 A 68 68 LYS CA C 68 56.322 54.985 1.337 1
1 789 . 16 1 1 A 68 68 LYS CB C 68 33.146 33.626 -0.480 1
1 793 . 16 1 1 A 68 68 LYS N N 68 121.836 121.515 0.321 1
1 794 . 16 1 1 A 69 69 GLY H H 69 8.387 8.291 0.096 1
1 795 . 16 1 1 A 69 69 GLY HA2 H 69 3.948 4.107 -0.159 1
1 796 . 16 1 1 A 69 69 GLY HA3 H 69 3.948 4.107 -0.159 1
1 797 . 16 1 1 A 69 69 GLY C C 69 173.940 173.650 0.290 1
1 798 . 16 1 1 A 69 69 GLY CA C 69 45.160 45.391 -0.231 1
1 799 . 16 1 1 A 69 69 GLY N N 69 109.796 112.976 -3.180 1
1 800 . 16 1 1 A 70 70 LYS H H 70 8.196 8.333 -0.137 1
1 801 . 16 1 1 A 70 70 LYS HA H 70 4.318 4.966 -0.648 1
1 810 . 16 1 1 A 70 70 LYS C C 70 176.642 175.403 1.239 1
1 811 . 16 1 1 A 70 70 LYS CA C 70 56.127 54.032 2.095 1
1 812 . 16 1 1 A 70 70 LYS CB C 70 33.272 36.262 -2.990 1
1 816 . 16 1 1 A 70 70 LYS N N 70 121.044 120.176 0.868 1
1 817 . 16 1 1 A 71 71 LYS H H 71 8.348 8.277 0.071 1
1 818 . 16 1 1 A 71 71 LYS HA H 71 4.273 4.166 0.107 1
1 827 . 16 1 1 A 71 71 LYS C C 71 176.548 176.141 0.407 1
1 828 . 16 1 1 A 71 71 LYS CA C 71 56.285 56.649 -0.364 1
1 829 . 16 1 1 A 71 71 LYS CB C 71 33.270 32.601 0.669 1
1 833 . 16 1 1 A 71 71 LYS N N 71 123.152 118.704 4.448 1
1 834 . 16 1 1 A 72 72 LYS H H 72 8.405 8.409 -0.004 1
1 835 . 16 1 1 A 72 72 LYS HA H 72 4.273 4.139 0.134 1
1 836 . 16 1 1 A 72 72 LYS C C 72 176.499 176.140 0.359 1
1 837 . 16 1 1 A 72 72 LYS CA C 72 56.356 56.766 -0.410 1
1 838 . 16 1 1 A 72 72 LYS CB C 72 33.146 32.644 0.502 1
1 1 . 17 1 1 A 7 7 GLY HA2 H 7 4.042 4.020 0.022 1
1 2 . 17 1 1 A 7 7 GLY HA3 H 7 4.042 4.020 0.022 1
1 3 . 17 1 1 A 7 7 GLY C C 7 174.377 172.227 2.150 1
1 4 . 17 1 1 A 7 7 GLY CA C 7 45.425 44.344 1.081 1
1 5 . 17 1 1 A 8 8 THR H H 8 8.131 8.622 -0.491 1
1 6 . 17 1 1 A 8 8 THR HA H 8 4.448 4.821 -0.373 1
1 11 . 17 1 1 A 8 8 THR C C 8 174.773 173.208 1.565 1
1 12 . 17 1 1 A 8 8 THR CA C 8 61.787 61.655 0.132 1
1 13 . 17 1 1 A 8 8 THR CB C 8 69.913 68.234 1.679 1
1 15 . 17 1 1 A 8 8 THR N N 8 113.630 118.035 -4.405 1
1 16 . 17 1 1 A 9 9 THR H H 9 8.180 8.400 -0.220 1
1 17 . 17 1 1 A 9 9 THR HA H 9 4.355 4.752 -0.397 1
1 22 . 17 1 1 A 9 9 THR C C 9 174.203 172.250 1.953 1
1 23 . 17 1 1 A 9 9 THR CA C 9 61.892 62.051 -0.159 1
1 24 . 17 1 1 A 9 9 THR CB C 9 69.891 71.074 -1.183 1
1 26 . 17 1 1 A 9 9 THR N N 9 116.604 119.663 -3.059 1
1 27 . 17 1 1 A 10 10 ALA H H 10 8.405 8.310 0.095 1
1 28 . 17 1 1 A 10 10 ALA HA H 10 4.376 4.654 -0.278 1
1 32 . 17 1 1 A 10 10 ALA C C 10 177.430 177.269 0.161 1
1 33 . 17 1 1 A 10 10 ALA CA C 10 52.317 51.123 1.194 1
1 34 . 17 1 1 A 10 10 ALA CB C 10 19.506 22.414 -2.908 1
1 35 . 17 1 1 A 10 10 ALA N N 10 126.934 128.459 -1.525 1
1 36 . 17 1 1 A 11 11 LYS H H 11 8.462 8.707 -0.245 1
1 37 . 17 1 1 A 11 11 LYS HA H 11 4.575 3.935 0.640 1
1 46 . 17 1 1 A 11 11 LYS C C 11 174.921 175.666 -0.745 1
1 47 . 17 1 1 A 11 11 LYS CA C 11 55.122 61.310 -6.188 1
1 48 . 17 1 1 A 11 11 LYS CB C 11 31.910 31.098 0.812 1
1 52 . 17 1 1 A 11 11 LYS N N 11 121.526 119.572 1.954 1
1 53 . 17 1 1 A 12 12 PRO HA H 12 4.363 4.418 -0.055 1
1 60 . 17 1 1 A 12 12 PRO C C 12 178.290 178.867 -0.577 1
1 61 . 17 1 1 A 12 12 PRO CA C 12 64.502 64.987 -0.485 1
1 62 . 17 1 1 A 12 12 PRO CB C 12 31.992 31.361 0.631 1
1 65 . 17 1 1 A 13 13 GLN H H 13 8.665 8.145 0.520 1
1 66 . 17 1 1 A 13 13 GLN HA H 13 4.158 4.161 -0.003 1
1 73 . 17 1 1 A 13 13 GLN C C 13 177.727 178.056 -0.329 1
1 74 . 17 1 1 A 13 13 GLN CA C 13 58.366 58.939 -0.573 1
1 75 . 17 1 1 A 13 13 GLN CB C 13 28.584 28.941 -0.357 1
1 77 . 17 1 1 A 13 13 GLN N N 13 119.964 117.787 2.177 1
1 79 . 17 1 1 A 14 14 GLN H H 14 8.376 8.576 -0.200 1
1 80 . 17 1 1 A 14 14 GLN HA H 14 4.217 4.109 0.108 1
1 87 . 17 1 1 A 14 14 GLN C C 14 178.304 177.890 0.414 1
1 88 . 17 1 1 A 14 14 GLN CA C 14 58.190 58.045 0.145 1
1 89 . 17 1 1 A 14 14 GLN CB C 14 28.639 27.884 0.755 1
1 91 . 17 1 1 A 14 14 GLN N N 14 120.039 117.106 2.933 1
1 93 . 17 1 1 A 15 15 ILE H H 15 7.802 7.943 -0.141 1
1 94 . 17 1 1 A 15 15 ILE HA H 15 3.654 3.652 0.002 1
1 104 . 17 1 1 A 15 15 ILE C C 15 177.183 177.852 -0.669 1
1 105 . 17 1 1 A 15 15 ILE CA C 15 64.643 64.750 -0.107 1
1 106 . 17 1 1 A 15 15 ILE CB C 15 37.828 37.949 -0.121 1
1 110 . 17 1 1 A 15 15 ILE N N 15 119.981 121.706 -1.725 1
1 111 . 17 1 1 A 16 16 GLN H H 16 8.159 8.064 0.095 1
1 112 . 17 1 1 A 16 16 GLN HA H 16 3.958 3.921 0.037 1
1 119 . 17 1 1 A 16 16 GLN C C 16 177.647 177.770 -0.123 1
1 120 . 17 1 1 A 16 16 GLN CA C 16 58.648 58.891 -0.243 1
1 121 . 17 1 1 A 16 16 GLN CB C 16 28.531 28.720 -0.189 1
1 123 . 17 1 1 A 16 16 GLN N N 16 119.695 119.911 -0.216 1
1 125 . 17 1 1 A 17 17 ALA H H 17 7.946 7.828 0.118 1
1 126 . 17 1 1 A 17 17 ALA HA H 17 4.239 4.100 0.139 1
1 130 . 17 1 1 A 17 17 ALA C C 17 180.910 180.032 0.878 1
1 131 . 17 1 1 A 17 17 ALA CA C 17 55.106 55.178 -0.072 1
1 132 . 17 1 1 A 17 17 ALA CB C 17 17.990 18.133 -0.143 1
1 133 . 17 1 1 A 17 17 ALA N N 17 120.227 121.745 -1.518 1
1 134 . 17 1 1 A 18 18 LEU H H 18 7.682 8.391 -0.709 1
1 135 . 17 1 1 A 18 18 LEU HA H 18 4.187 3.919 0.268 1
1 145 . 17 1 1 A 18 18 LEU C C 18 178.977 179.051 -0.074 1
1 146 . 17 1 1 A 18 18 LEU CA C 18 57.890 58.019 -0.129 1
1 147 . 17 1 1 A 18 18 LEU CB C 18 43.361 41.848 1.513 1
1 151 . 17 1 1 A 18 18 LEU N N 18 119.764 118.656 1.108 1
1 152 . 17 1 1 A 19 19 MET H H 19 8.699 8.214 0.485 1
1 153 . 17 1 1 A 19 19 MET HA H 19 3.965 4.034 -0.069 1
1 161 . 17 1 1 A 19 19 MET C C 19 179.207 178.031 1.176 1
1 162 . 17 1 1 A 19 19 MET CA C 19 59.794 59.251 0.543 1
1 163 . 17 1 1 A 19 19 MET CB C 19 32.445 32.527 -0.082 1
1 166 . 17 1 1 A 19 19 MET N N 19 119.982 116.759 3.223 1
1 167 . 17 1 1 A 20 20 ASP H H 20 8.435 7.984 0.451 1
1 168 . 17 1 1 A 20 20 ASP HA H 20 4.453 4.328 0.125 1
1 171 . 17 1 1 A 20 20 ASP C C 20 179.127 178.448 0.679 1
1 172 . 17 1 1 A 20 20 ASP CA C 20 57.449 57.525 -0.076 1
1 173 . 17 1 1 A 20 20 ASP CB C 20 39.986 41.276 -1.290 1
1 174 . 17 1 1 A 20 20 ASP N N 20 120.434 120.546 -0.112 1
1 175 . 17 1 1 A 21 21 GLU H H 21 8.150 8.148 0.002 1
1 176 . 17 1 1 A 21 21 GLU HA H 21 4.168 4.077 0.091 1
1 181 . 17 1 1 A 21 21 GLU C C 21 179.405 179.474 -0.069 1
1 182 . 17 1 1 A 21 21 GLU CA C 21 59.477 59.385 0.092 1
1 183 . 17 1 1 A 21 21 GLU CB C 21 29.441 29.530 -0.089 1
1 185 . 17 1 1 A 21 21 GLU N N 21 122.159 119.080 3.079 1
1 186 . 17 1 1 A 22 22 VAL H H 22 8.754 7.976 0.778 1
1 187 . 17 1 1 A 22 22 VAL HA H 22 3.484 3.676 -0.192 1
1 195 . 17 1 1 A 22 22 VAL C C 22 179.177 178.756 0.421 1
1 196 . 17 1 1 A 22 22 VAL CA C 22 67.545 66.226 1.319 1
1 197 . 17 1 1 A 22 22 VAL CB C 22 31.712 31.602 0.110 1
1 200 . 17 1 1 A 22 22 VAL N N 22 121.967 120.576 1.391 1
1 201 . 17 1 1 A 23 23 THR H H 23 8.410 7.963 0.447 1
1 202 . 17 1 1 A 23 23 THR HA H 23 3.888 3.876 0.012 1
1 207 . 17 1 1 A 23 23 THR C C 23 176.515 176.109 0.406 1
1 208 . 17 1 1 A 23 23 THR CA C 23 66.706 67.062 -0.356 1
1 209 . 17 1 1 A 23 23 THR CB C 23 68.646 68.725 -0.079 1
1 211 . 17 1 1 A 23 23 THR N N 23 119.619 117.052 2.567 1
1 212 . 17 1 1 A 24 24 LYS H H 24 8.179 8.210 -0.031 1
1 213 . 17 1 1 A 24 24 LYS HA H 24 4.055 3.880 0.175 1
1 219 . 17 1 1 A 24 24 LYS C C 24 179.223 178.252 0.971 1
1 220 . 17 1 1 A 24 24 LYS CA C 24 59.865 59.654 0.211 1
1 221 . 17 1 1 A 24 24 LYS CB C 24 32.733 32.213 0.520 1
1 225 . 17 1 1 A 24 24 LYS N N 24 122.464 121.110 1.354 1
1 226 . 17 1 1 A 25 25 GLN H H 25 8.791 8.393 0.398 1
1 227 . 17 1 1 A 25 25 GLN HA H 25 4.266 3.998 0.268 1
1 234 . 17 1 1 A 25 25 GLN C C 25 178.359 178.634 -0.275 1
1 235 . 17 1 1 A 25 25 GLN CA C 25 57.273 59.508 -2.235 1
1 236 . 17 1 1 A 25 25 GLN CB C 25 26.830 28.758 -1.928 1
1 238 . 17 1 1 A 25 25 GLN N N 25 120.181 118.637 1.544 1
1 240 . 17 1 1 A 26 26 GLY H H 26 8.828 8.154 0.674 1
1 241 . 17 1 1 A 26 26 GLY HA2 H 26 4.099 3.773 0.326 1
1 242 . 17 1 1 A 26 26 GLY HA3 H 26 3.788 3.773 0.015 1
1 243 . 17 1 1 A 26 26 GLY C C 26 176.618 176.125 0.493 1
1 244 . 17 1 1 A 26 26 GLY CA C 26 47.161 47.379 -0.218 1
1 245 . 17 1 1 A 26 26 GLY N N 26 108.597 107.511 1.086 1
1 246 . 17 1 1 A 27 27 ASN H H 27 7.910 7.770 0.140 1
1 247 . 17 1 1 A 27 27 ASN HA H 27 4.582 4.419 0.163 1
1 252 . 17 1 1 A 27 27 ASN C C 27 177.317 177.794 -0.477 1
1 253 . 17 1 1 A 27 27 ASN CA C 27 56.074 55.825 0.249 1
1 254 . 17 1 1 A 27 27 ASN CB C 27 37.729 38.138 -0.409 1
1 255 . 17 1 1 A 27 27 ASN N N 27 121.818 119.097 2.721 1
1 257 . 17 1 1 A 28 28 ILE H H 28 7.811 8.009 -0.198 1
1 258 . 17 1 1 A 28 28 ILE HA H 28 3.789 3.674 0.115 1
1 268 . 17 1 1 A 28 28 ILE C C 28 178.445 178.588 -0.143 1
1 269 . 17 1 1 A 28 28 ILE CA C 28 65.117 65.212 -0.095 1
1 270 . 17 1 1 A 28 28 ILE CB C 28 37.914 37.957 -0.043 1
1 274 . 17 1 1 A 28 28 ILE N N 28 123.083 120.037 3.046 1
1 275 . 17 1 1 A 29 29 VAL H H 29 8.018 8.207 -0.189 1
1 276 . 17 1 1 A 29 29 VAL HA H 29 3.399 3.588 -0.189 1
1 284 . 17 1 1 A 29 29 VAL C C 29 176.953 177.809 -0.856 1
1 285 . 17 1 1 A 29 29 VAL CA C 29 67.541 66.445 1.096 1
1 286 . 17 1 1 A 29 29 VAL CB C 29 32.013 31.424 0.589 1
1 289 . 17 1 1 A 29 29 VAL N N 29 119.117 120.301 -1.184 1
1 290 . 17 1 1 A 30 30 ARG H H 30 7.965 8.188 -0.223 1
1 291 . 17 1 1 A 30 30 ARG HA H 30 3.928 3.905 0.023 1
1 298 . 17 1 1 A 30 30 ARG C C 30 179.609 178.413 1.196 1
1 299 . 17 1 1 A 30 30 ARG CA C 30 60.006 60.003 0.003 1
1 300 . 17 1 1 A 30 30 ARG CB C 30 30.302 30.132 0.170 1
1 303 . 17 1 1 A 30 30 ARG N N 30 118.510 119.813 -1.303 1
1 304 . 17 1 1 A 31 31 GLU H H 31 8.211 8.345 -0.134 1
1 305 . 17 1 1 A 31 31 GLU HA H 31 4.167 4.099 0.068 1
1 310 . 17 1 1 A 31 31 GLU C C 31 178.910 179.101 -0.191 1
1 311 . 17 1 1 A 31 31 GLU CA C 31 59.195 59.089 0.106 1
1 312 . 17 1 1 A 31 31 GLU CB C 31 29.437 29.150 0.287 1
1 314 . 17 1 1 A 31 31 GLU N N 31 120.110 117.504 2.606 1
1 315 . 17 1 1 A 32 32 LEU H H 32 8.287 8.272 0.015 1
1 316 . 17 1 1 A 32 32 LEU HA H 32 4.021 3.905 0.116 1
1 326 . 17 1 1 A 32 32 LEU C C 32 179.931 179.205 0.726 1
1 327 . 17 1 1 A 32 32 LEU CA C 32 57.979 57.683 0.296 1
1 328 . 17 1 1 A 32 32 LEU CB C 32 42.524 41.720 0.804 1
1 332 . 17 1 1 A 32 32 LEU N N 32 120.148 121.689 -1.541 1
1 333 . 17 1 1 A 33 33 LYS H H 33 8.205 7.945 0.260 1
1 334 . 17 1 1 A 33 33 LYS HA H 33 4.048 4.001 0.047 1
1 343 . 17 1 1 A 33 33 LYS C C 33 180.739 179.796 0.943 1
1 344 . 17 1 1 A 33 33 LYS CA C 33 59.883 59.953 -0.070 1
1 345 . 17 1 1 A 33 33 LYS CB C 33 32.569 32.263 0.306 1
1 349 . 17 1 1 A 33 33 LYS N N 33 117.234 117.302 -0.068 1
1 350 . 17 1 1 A 34 34 ALA H H 34 8.101 7.731 0.370 1
1 351 . 17 1 1 A 34 34 ALA HA H 34 4.185 4.056 0.129 1
1 355 . 17 1 1 A 34 34 ALA C C 34 179.304 179.007 0.297 1
1 356 . 17 1 1 A 34 34 ALA CA C 34 54.734 54.645 0.089 1
1 357 . 17 1 1 A 34 34 ALA CB C 34 18.190 18.198 -0.008 1
1 358 . 17 1 1 A 34 34 ALA N N 34 123.540 121.365 2.175 1
1 359 . 17 1 1 A 35 35 GLN H H 35 7.815 7.775 0.040 1
1 360 . 17 1 1 A 35 35 GLN HA H 35 4.299 4.439 -0.140 1
1 367 . 17 1 1 A 35 35 GLN C C 35 175.344 174.501 0.843 1
1 368 . 17 1 1 A 35 35 GLN CA C 35 55.342 55.378 -0.036 1
1 369 . 17 1 1 A 35 35 GLN CB C 35 28.819 28.518 0.301 1
1 371 . 17 1 1 A 35 35 GLN N N 35 115.126 114.731 0.395 1
1 373 . 17 1 1 A 36 36 LYS H H 36 7.948 7.666 0.282 1
1 374 . 17 1 1 A 36 36 LYS HA H 36 3.963 3.814 0.149 1
1 382 . 17 1 1 A 36 36 LYS C C 36 175.883 175.706 0.177 1
1 383 . 17 1 1 A 36 36 LYS CA C 36 56.872 57.301 -0.429 1
1 384 . 17 1 1 A 36 36 LYS CB C 36 28.917 29.892 -0.975 1
1 388 . 17 1 1 A 36 36 LYS N N 36 117.310 115.747 1.563 1
1 389 . 17 1 1 A 37 37 ALA H H 37 7.646 7.406 0.240 1
1 390 . 17 1 1 A 37 37 ALA HA H 37 4.226 4.267 -0.041 1
1 394 . 17 1 1 A 37 37 ALA C C 37 176.094 176.404 -0.310 1
1 395 . 17 1 1 A 37 37 ALA CA C 37 52.143 52.467 -0.324 1
1 396 . 17 1 1 A 37 37 ALA CB C 37 20.742 19.389 1.353 1
1 397 . 17 1 1 A 37 37 ALA N N 37 120.112 119.384 0.728 1
1 398 . 17 1 1 A 38 38 ASP H H 38 8.474 8.532 -0.058 1
1 399 . 17 1 1 A 38 38 ASP HA H 38 4.387 4.455 -0.068 1
1 402 . 17 1 1 A 38 38 ASP C C 38 177.481 177.346 0.135 1
1 403 . 17 1 1 A 38 38 ASP CA C 38 54.992 54.506 0.486 1
1 404 . 17 1 1 A 38 38 ASP CB C 38 43.156 43.198 -0.042 1
1 405 . 17 1 1 A 38 38 ASP N N 38 119.141 121.831 -2.690 1
1 406 . 17 1 1 A 39 39 LYS H H 39 8.703 8.677 0.026 1
1 407 . 17 1 1 A 39 39 LYS HA H 39 3.967 4.051 -0.084 1
1 414 . 17 1 1 A 39 39 LYS C C 39 178.806 178.457 0.349 1
1 415 . 17 1 1 A 39 39 LYS CA C 39 59.547 59.367 0.180 1
1 416 . 17 1 1 A 39 39 LYS CB C 39 32.222 32.013 0.209 1
1 420 . 17 1 1 A 39 39 LYS N N 39 124.290 124.876 -0.586 1
1 421 . 17 1 1 A 40 40 ASN H H 40 8.873 8.236 0.637 1
1 422 . 17 1 1 A 40 40 ASN HA H 40 4.571 4.371 0.200 1
1 427 . 17 1 1 A 40 40 ASN C C 40 178.014 177.996 0.018 1
1 428 . 17 1 1 A 40 40 ASN CA C 40 56.091 56.614 -0.523 1
1 429 . 17 1 1 A 40 40 ASN CB C 40 37.900 39.577 -1.677 1
1 430 . 17 1 1 A 40 40 ASN N N 40 119.722 118.247 1.475 1
1 432 . 17 1 1 A 41 41 GLU H H 41 7.881 8.088 -0.207 1
1 433 . 17 1 1 A 41 41 GLU HA H 41 4.192 4.040 0.152 1
1 438 . 17 1 1 A 41 41 GLU C C 41 178.917 179.547 -0.630 1
1 439 . 17 1 1 A 41 41 GLU CA C 41 59.213 59.317 -0.104 1
1 440 . 17 1 1 A 41 41 GLU CB C 41 29.520 29.715 -0.195 1
1 442 . 17 1 1 A 41 41 GLU N N 41 124.025 118.310 5.715 1
1 443 . 17 1 1 A 42 42 VAL H H 42 8.061 8.287 -0.226 1
1 444 . 17 1 1 A 42 42 VAL HA H 42 3.397 3.593 -0.196 1
1 452 . 17 1 1 A 42 42 VAL C C 42 177.701 177.873 -0.172 1
1 453 . 17 1 1 A 42 42 VAL CA C 42 67.341 66.381 0.960 1
1 454 . 17 1 1 A 42 42 VAL CB C 42 32.075 31.736 0.339 1
1 457 . 17 1 1 A 42 42 VAL N N 42 117.921 121.227 -3.306 1
1 458 . 17 1 1 A 43 43 ALA H H 43 8.136 8.505 -0.369 1
1 459 . 17 1 1 A 43 43 ALA HA H 43 4.101 3.935 0.166 1
1 463 . 17 1 1 A 43 43 ALA C C 43 180.808 179.469 1.339 1
1 464 . 17 1 1 A 43 43 ALA CA C 43 55.404 55.626 -0.222 1
1 465 . 17 1 1 A 43 43 ALA CB C 43 17.722 18.506 -0.784 1
1 466 . 17 1 1 A 43 43 ALA N N 43 119.833 122.218 -2.385 1
1 467 . 17 1 1 A 44 44 ALA H H 44 7.664 7.874 -0.210 1
1 468 . 17 1 1 A 44 44 ALA HA H 44 4.234 4.033 0.201 1
1 472 . 17 1 1 A 44 44 ALA C C 44 180.953 180.091 0.862 1
1 473 . 17 1 1 A 44 44 ALA CA C 44 55.122 55.415 -0.293 1
1 474 . 17 1 1 A 44 44 ALA CB C 44 18.229 18.675 -0.446 1
1 475 . 17 1 1 A 44 44 ALA N N 44 121.026 119.508 1.518 1
1 476 . 17 1 1 A 45 45 GLU H H 45 7.837 7.857 -0.020 1
1 477 . 17 1 1 A 45 45 GLU HA H 45 4.447 3.999 0.448 1
1 482 . 17 1 1 A 45 45 GLU C C 45 180.357 179.625 0.732 1
1 483 . 17 1 1 A 45 45 GLU CA C 45 57.467 59.641 -2.174 1
1 484 . 17 1 1 A 45 45 GLU CB C 45 28.255 29.403 -1.148 1
1 486 . 17 1 1 A 45 45 GLU N N 45 118.409 118.039 0.370 1
1 487 . 17 1 1 A 46 46 VAL H H 46 9.024 8.095 0.929 1
1 488 . 17 1 1 A 46 46 VAL HA H 46 3.638 3.697 -0.059 1
1 496 . 17 1 1 A 46 46 VAL C C 46 177.712 178.235 -0.523 1
1 497 . 17 1 1 A 46 46 VAL CA C 46 66.961 66.155 0.806 1
1 498 . 17 1 1 A 46 46 VAL CB C 46 31.910 31.404 0.506 1
1 501 . 17 1 1 A 46 46 VAL N N 46 124.975 121.131 3.844 1
1 502 . 17 1 1 A 47 47 ALA H H 47 8.130 8.624 -0.494 1
1 503 . 17 1 1 A 47 47 ALA HA H 47 4.093 3.946 0.147 1
1 507 . 17 1 1 A 47 47 ALA C C 47 180.853 179.473 1.380 1
1 508 . 17 1 1 A 47 47 ALA CA C 47 55.545 55.754 -0.209 1
1 509 . 17 1 1 A 47 47 ALA CB C 47 17.683 18.138 -0.455 1
1 510 . 17 1 1 A 47 47 ALA N N 47 122.493 122.308 0.185 1
1 511 . 17 1 1 A 48 48 LYS H H 48 7.442 7.584 -0.142 1
1 512 . 17 1 1 A 48 48 LYS HA H 48 4.183 4.093 0.090 1
1 521 . 17 1 1 A 48 48 LYS C C 48 178.698 178.659 0.039 1
1 522 . 17 1 1 A 48 48 LYS CA C 48 59.389 59.099 0.290 1
1 523 . 17 1 1 A 48 48 LYS CB C 48 32.610 31.736 0.874 1
1 527 . 17 1 1 A 48 48 LYS N N 48 118.186 116.668 1.518 1
1 528 . 17 1 1 A 49 49 LEU H H 49 7.822 7.840 -0.018 1
1 529 . 17 1 1 A 49 49 LEU HA H 49 4.012 4.020 -0.008 1
1 539 . 17 1 1 A 49 49 LEU C C 49 177.582 178.674 -1.092 1
1 540 . 17 1 1 A 49 49 LEU CA C 49 58.490 57.972 0.518 1
1 541 . 17 1 1 A 49 49 LEU CB C 49 42.119 41.792 0.327 1
1 545 . 17 1 1 A 49 49 LEU N N 49 120.499 121.273 -0.774 1
1 546 . 17 1 1 A 50 50 LEU H H 50 8.565 8.602 -0.037 1
1 547 . 17 1 1 A 50 50 LEU HA H 50 3.994 3.875 0.119 1
1 557 . 17 1 1 A 50 50 LEU C C 50 180.128 178.947 1.181 1
1 558 . 17 1 1 A 50 50 LEU CA C 50 58.330 58.035 0.295 1
1 559 . 17 1 1 A 50 50 LEU CB C 50 41.060 41.434 -0.374 1
1 563 . 17 1 1 A 50 50 LEU N N 50 118.622 119.163 -0.541 1
1 564 . 17 1 1 A 51 51 ASP H H 51 7.962 7.895 0.067 1
1 565 . 17 1 1 A 51 51 ASP HA H 51 4.480 4.342 0.138 1
1 568 . 17 1 1 A 51 51 ASP C C 51 178.808 178.163 0.645 1
1 569 . 17 1 1 A 51 51 ASP CA C 51 57.802 57.643 0.159 1
1 570 . 17 1 1 A 51 51 ASP CB C 51 41.435 41.447 -0.012 1
1 571 . 17 1 1 A 51 51 ASP N N 51 120.483 119.265 1.218 1
1 572 . 17 1 1 A 52 52 LEU H H 52 8.228 8.188 0.040 1
1 573 . 17 1 1 A 52 52 LEU HA H 52 4.006 3.896 0.110 1
1 583 . 17 1 1 A 52 52 LEU C C 52 179.173 179.533 -0.360 1
1 584 . 17 1 1 A 52 52 LEU CA C 52 58.190 57.958 0.232 1
1 585 . 17 1 1 A 52 52 LEU CB C 52 43.222 41.563 1.659 1
1 589 . 17 1 1 A 52 52 LEU N N 52 121.105 119.850 1.255 1
1 590 . 17 1 1 A 53 53 LYS H H 53 8.531 7.990 0.541 1
1 591 . 17 1 1 A 53 53 LYS HA H 53 3.872 3.911 -0.039 1
1 600 . 17 1 1 A 53 53 LYS C C 53 179.984 179.254 0.730 1
1 601 . 17 1 1 A 53 53 LYS CA C 53 60.699 60.264 0.435 1
1 602 . 17 1 1 A 53 53 LYS CB C 53 32.239 32.090 0.149 1
1 606 . 17 1 1 A 53 53 LYS N N 53 118.013 118.527 -0.514 1
1 607 . 17 1 1 A 54 54 LYS H H 54 8.090 8.446 -0.356 1
1 608 . 17 1 1 A 54 54 LYS HA H 54 4.165 4.080 0.085 1
1 616 . 17 1 1 A 54 54 LYS C C 54 178.638 178.915 -0.277 1
1 617 . 17 1 1 A 54 54 LYS CA C 54 59.847 59.178 0.669 1
1 618 . 17 1 1 A 54 54 LYS CB C 54 32.116 32.124 -0.008 1
1 622 . 17 1 1 A 54 54 LYS N N 54 122.616 119.046 3.570 1
1 623 . 17 1 1 A 55 55 GLN H H 55 8.214 8.075 0.139 1
1 624 . 17 1 1 A 55 55 GLN HA H 55 3.976 4.010 -0.034 1
1 631 . 17 1 1 A 55 55 GLN C C 55 179.696 178.189 1.507 1
1 632 . 17 1 1 A 55 55 GLN CA C 55 59.177 58.856 0.321 1
1 633 . 17 1 1 A 55 55 GLN CB C 55 29.400 28.221 1.179 1
1 635 . 17 1 1 A 55 55 GLN N N 55 119.132 119.223 -0.091 1
1 637 . 17 1 1 A 56 56 LEU H H 56 8.506 8.200 0.306 1
1 638 . 17 1 1 A 56 56 LEU HA H 56 4.116 3.976 0.140 1
1 648 . 17 1 1 A 56 56 LEU C C 56 176.782 178.297 -1.515 1
1 649 . 17 1 1 A 56 56 LEU CA C 56 57.925 58.475 -0.550 1
1 650 . 17 1 1 A 56 56 LEU CB C 56 41.465 41.996 -0.531 1
1 654 . 17 1 1 A 56 56 LEU N N 56 122.033 122.155 -0.122 1
1 655 . 17 1 1 A 57 57 ALA H H 57 7.896 7.810 0.086 1
1 656 . 17 1 1 A 57 57 ALA HA H 57 4.232 4.017 0.215 1
1 660 . 17 1 1 A 57 57 ALA C C 57 180.928 180.115 0.813 1
1 661 . 17 1 1 A 57 57 ALA CA C 57 55.246 55.440 -0.194 1
1 662 . 17 1 1 A 57 57 ALA CB C 57 17.776 18.586 -0.810 1
1 663 . 17 1 1 A 57 57 ALA N N 57 121.379 120.069 1.310 1
1 664 . 17 1 1 A 58 58 VAL H H 58 7.973 8.106 -0.133 1
1 665 . 17 1 1 A 58 58 VAL HA H 58 3.761 3.581 0.180 1
1 673 . 17 1 1 A 58 58 VAL C C 58 179.410 178.035 1.375 1
1 674 . 17 1 1 A 58 58 VAL CA C 58 65.807 66.739 -0.932 1
1 675 . 17 1 1 A 58 58 VAL CB C 58 31.978 31.522 0.456 1
1 678 . 17 1 1 A 58 58 VAL N N 58 117.592 117.768 -0.176 1
1 679 . 17 1 1 A 59 59 ALA H H 59 8.024 8.707 -0.683 1
1 680 . 17 1 1 A 59 59 ALA HA H 59 4.133 4.021 0.112 1
1 684 . 17 1 1 A 59 59 ALA C C 59 179.359 180.321 -0.962 1
1 685 . 17 1 1 A 59 59 ALA CA C 59 54.805 55.540 -0.735 1
1 686 . 17 1 1 A 59 59 ALA CB C 59 18.513 18.661 -0.148 1
1 687 . 17 1 1 A 59 59 ALA N N 59 124.023 121.735 2.288 1
1 688 . 17 1 1 A 60 60 GLU H H 60 8.334 8.104 0.230 1
1 689 . 17 1 1 A 60 60 GLU HA H 60 4.143 4.105 0.038 1
1 694 . 17 1 1 A 60 60 GLU C C 60 177.391 177.000 0.391 1
1 695 . 17 1 1 A 60 60 GLU CA C 60 57.915 57.806 0.109 1
1 696 . 17 1 1 A 60 60 GLU CB C 60 30.962 30.081 0.881 1
1 698 . 17 1 1 A 60 60 GLU N N 60 115.335 116.823 -1.488 1
1 699 . 17 1 1 A 61 61 GLY H H 61 7.845 7.967 -0.122 1
1 700 . 17 1 1 A 61 61 GLY HA2 H 61 3.958 4.005 -0.047 1
1 701 . 17 1 1 A 61 61 GLY HA3 H 61 3.958 4.005 -0.047 1
1 702 . 17 1 1 A 61 61 GLY C C 61 174.090 173.992 0.098 1
1 703 . 17 1 1 A 61 61 GLY CA C 61 45.654 45.387 0.267 1
1 704 . 17 1 1 A 61 61 GLY N N 61 107.486 107.731 -0.245 1
1 705 . 17 1 1 A 62 62 LYS H H 62 8.068 7.580 0.488 1
1 706 . 17 1 1 A 62 62 LYS HA H 62 4.612 4.768 -0.156 1
1 715 . 17 1 1 A 62 62 LYS C C 62 174.023 174.017 0.006 1
1 716 . 17 1 1 A 62 62 LYS CA C 62 54.147 53.256 0.891 1
1 717 . 17 1 1 A 62 62 LYS CB C 62 32.651 32.736 -0.085 1
1 721 . 17 1 1 A 62 62 LYS N N 62 121.672 120.349 1.323 1
1 722 . 17 1 1 A 63 63 PRO HA H 63 4.692 4.619 0.073 1
1 729 . 17 1 1 A 63 63 PRO CA C 63 61.351 61.706 -0.355 1
1 730 . 17 1 1 A 63 63 PRO CB C 63 30.892 31.777 -0.885 1
1 733 . 17 1 1 A 64 64 PRO HA H 64 4.408 4.611 -0.203 1
1 740 . 17 1 1 A 64 64 PRO C C 64 176.775 176.457 0.318 1
1 741 . 17 1 1 A 64 64 PRO CA C 64 62.926 62.270 0.656 1
1 742 . 17 1 1 A 64 64 PRO CB C 64 32.074 33.333 -1.259 1
1 745 . 17 1 1 A 65 65 GLU H H 65 8.396 8.721 -0.325 1
1 746 . 17 1 1 A 65 65 GLU HA H 65 4.243 4.474 -0.231 1
1 751 . 17 1 1 A 65 65 GLU C C 65 175.888 176.078 -0.190 1
1 752 . 17 1 1 A 65 65 GLU CA C 65 56.083 56.074 0.009 1
1 753 . 17 1 1 A 65 65 GLU CB C 65 30.722 28.965 1.757 1
1 755 . 17 1 1 A 65 65 GLU N N 65 121.093 120.081 1.012 1
1 756 . 17 1 1 A 66 66 ALA H H 66 8.434 7.456 0.978 1
1 757 . 17 1 1 A 66 66 ALA HA H 66 4.583 4.163 0.420 1
1 761 . 17 1 1 A 66 66 ALA C C 66 175.504 177.519 -2.015 1
1 762 . 17 1 1 A 66 66 ALA CA C 66 50.482 50.370 0.112 1
1 763 . 17 1 1 A 66 66 ALA CB C 66 18.108 19.425 -1.317 1
1 764 . 17 1 1 A 66 66 ALA N N 66 127.348 123.283 4.065 1
1 765 . 17 1 1 A 67 67 PRO HA H 67 4.408 4.436 -0.028 1
1 772 . 17 1 1 A 67 67 PRO C C 67 177.111 174.906 2.205 1
1 773 . 17 1 1 A 67 67 PRO CA C 67 63.056 63.793 -0.737 1
1 774 . 17 1 1 A 67 67 PRO CB C 67 32.074 31.446 0.628 1
1 777 . 17 1 1 A 68 68 LYS H H 68 8.479 7.383 1.096 1
1 778 . 17 1 1 A 68 68 LYS HA H 68 4.291 4.904 -0.613 1
1 787 . 17 1 1 A 68 68 LYS C C 68 177.292 176.398 0.894 1
1 788 . 17 1 1 A 68 68 LYS CA C 68 56.322 54.538 1.784 1
1 789 . 17 1 1 A 68 68 LYS CB C 68 33.146 35.576 -2.430 1
1 793 . 17 1 1 A 68 68 LYS N N 68 121.836 114.401 7.435 1
1 794 . 17 1 1 A 69 69 GLY H H 69 8.387 8.427 -0.040 1
1 795 . 17 1 1 A 69 69 GLY HA2 H 69 3.948 4.083 -0.135 1
1 796 . 17 1 1 A 69 69 GLY HA3 H 69 3.948 4.083 -0.135 1
1 797 . 17 1 1 A 69 69 GLY C C 69 173.940 174.121 -0.181 1
1 798 . 17 1 1 A 69 69 GLY CA C 69 45.160 44.617 0.543 1
1 799 . 17 1 1 A 69 69 GLY N N 69 109.796 107.135 2.661 1
1 800 . 17 1 1 A 70 70 LYS H H 70 8.196 8.446 -0.250 1
1 801 . 17 1 1 A 70 70 LYS HA H 70 4.318 4.695 -0.377 1
1 810 . 17 1 1 A 70 70 LYS C C 70 176.642 177.293 -0.651 1
1 811 . 17 1 1 A 70 70 LYS CA C 70 56.127 55.123 1.004 1
1 812 . 17 1 1 A 70 70 LYS CB C 70 33.272 32.066 1.206 1
1 816 . 17 1 1 A 70 70 LYS N N 70 121.044 118.609 2.435 1
1 817 . 17 1 1 A 71 71 LYS H H 71 8.348 8.098 0.250 1
1 818 . 17 1 1 A 71 71 LYS HA H 71 4.273 3.929 0.344 1
1 827 . 17 1 1 A 71 71 LYS C C 71 176.548 176.350 0.198 1
1 828 . 17 1 1 A 71 71 LYS CA C 71 56.285 59.621 -3.336 1
1 829 . 17 1 1 A 71 71 LYS CB C 71 33.270 32.554 0.716 1
1 833 . 17 1 1 A 71 71 LYS N N 71 123.152 121.967 1.185 1
1 834 . 17 1 1 A 72 72 LYS H H 72 8.405 7.775 0.630 1
1 835 . 17 1 1 A 72 72 LYS HA H 72 4.273 4.893 -0.620 1
1 836 . 17 1 1 A 72 72 LYS C C 72 176.499 175.654 0.845 1
1 837 . 17 1 1 A 72 72 LYS CA C 72 56.356 54.623 1.733 1
1 838 . 17 1 1 A 72 72 LYS CB C 72 33.146 35.353 -2.207 1
1 1 . 18 1 1 A 7 7 GLY HA2 H 7 4.042 4.104 -0.062 1
1 2 . 18 1 1 A 7 7 GLY HA3 H 7 4.042 4.104 -0.062 1
1 3 . 18 1 1 A 7 7 GLY C C 7 174.377 173.618 0.759 1
1 4 . 18 1 1 A 7 7 GLY CA C 7 45.425 45.779 -0.354 1
1 5 . 18 1 1 A 8 8 THR H H 8 8.131 7.777 0.354 1
1 6 . 18 1 1 A 8 8 THR HA H 8 4.448 4.749 -0.301 1
1 11 . 18 1 1 A 8 8 THR C C 8 174.773 174.267 0.506 1
1 12 . 18 1 1 A 8 8 THR CA C 8 61.787 61.365 0.422 1
1 13 . 18 1 1 A 8 8 THR CB C 8 69.913 71.012 -1.099 1
1 15 . 18 1 1 A 8 8 THR N N 8 113.630 113.505 0.125 1
1 16 . 18 1 1 A 9 9 THR H H 9 8.180 8.641 -0.461 1
1 17 . 18 1 1 A 9 9 THR HA H 9 4.355 4.422 -0.067 1
1 22 . 18 1 1 A 9 9 THR C C 9 174.203 174.116 0.087 1
1 23 . 18 1 1 A 9 9 THR CA C 9 61.892 63.195 -1.303 1
1 24 . 18 1 1 A 9 9 THR CB C 9 69.891 68.995 0.896 1
1 26 . 18 1 1 A 9 9 THR N N 9 116.604 120.251 -3.647 1
1 27 . 18 1 1 A 10 10 ALA H H 10 8.405 8.657 -0.252 1
1 28 . 18 1 1 A 10 10 ALA HA H 10 4.376 4.497 -0.121 1
1 32 . 18 1 1 A 10 10 ALA C C 10 177.430 177.688 -0.258 1
1 33 . 18 1 1 A 10 10 ALA CA C 10 52.317 51.499 0.818 1
1 34 . 18 1 1 A 10 10 ALA CB C 10 19.506 19.573 -0.067 1
1 35 . 18 1 1 A 10 10 ALA N N 10 126.934 130.334 -3.400 1
1 36 . 18 1 1 A 11 11 LYS H H 11 8.462 9.016 -0.554 1
1 37 . 18 1 1 A 11 11 LYS HA H 11 4.575 4.006 0.569 1
1 46 . 18 1 1 A 11 11 LYS C C 11 174.921 176.696 -1.775 1
1 47 . 18 1 1 A 11 11 LYS CA C 11 55.122 61.463 -6.341 1
1 48 . 18 1 1 A 11 11 LYS CB C 11 31.910 30.738 1.172 1
1 52 . 18 1 1 A 11 11 LYS N N 11 121.526 125.273 -3.747 1
1 53 . 18 1 1 A 12 12 PRO HA H 12 4.363 4.420 -0.057 1
1 60 . 18 1 1 A 12 12 PRO C C 12 178.290 178.337 -0.047 1
1 61 . 18 1 1 A 12 12 PRO CA C 12 64.502 64.653 -0.151 1
1 62 . 18 1 1 A 12 12 PRO CB C 12 31.992 31.419 0.573 1
1 65 . 18 1 1 A 13 13 GLN H H 13 8.665 8.209 0.456 1
1 66 . 18 1 1 A 13 13 GLN HA H 13 4.158 4.462 -0.304 1
1 73 . 18 1 1 A 13 13 GLN C C 13 177.727 177.559 0.168 1
1 74 . 18 1 1 A 13 13 GLN CA C 13 58.366 57.863 0.503 1
1 75 . 18 1 1 A 13 13 GLN CB C 13 28.584 30.230 -1.646 1
1 77 . 18 1 1 A 13 13 GLN N N 13 119.964 117.841 2.123 1
1 79 . 18 1 1 A 14 14 GLN H H 14 8.376 8.184 0.192 1
1 80 . 18 1 1 A 14 14 GLN HA H 14 4.217 4.074 0.143 1
1 87 . 18 1 1 A 14 14 GLN C C 14 178.304 178.401 -0.097 1
1 88 . 18 1 1 A 14 14 GLN CA C 14 58.190 58.462 -0.272 1
1 89 . 18 1 1 A 14 14 GLN CB C 14 28.639 28.674 -0.035 1
1 91 . 18 1 1 A 14 14 GLN N N 14 120.039 117.160 2.879 1
1 93 . 18 1 1 A 15 15 ILE H H 15 7.802 7.733 0.069 1
1 94 . 18 1 1 A 15 15 ILE HA H 15 3.654 3.652 0.002 1
1 104 . 18 1 1 A 15 15 ILE C C 15 177.183 178.092 -0.909 1
1 105 . 18 1 1 A 15 15 ILE CA C 15 64.643 64.988 -0.345 1
1 106 . 18 1 1 A 15 15 ILE CB C 15 37.828 37.662 0.166 1
1 110 . 18 1 1 A 15 15 ILE N N 15 119.981 121.699 -1.718 1
1 111 . 18 1 1 A 16 16 GLN H H 16 8.159 8.112 0.047 1
1 112 . 18 1 1 A 16 16 GLN HA H 16 3.958 3.988 -0.030 1
1 119 . 18 1 1 A 16 16 GLN C C 16 177.647 178.006 -0.359 1
1 120 . 18 1 1 A 16 16 GLN CA C 16 58.648 59.018 -0.370 1
1 121 . 18 1 1 A 16 16 GLN CB C 16 28.531 28.372 0.159 1
1 123 . 18 1 1 A 16 16 GLN N N 16 119.695 119.830 -0.135 1
1 125 . 18 1 1 A 17 17 ALA H H 17 7.946 7.557 0.389 1
1 126 . 18 1 1 A 17 17 ALA HA H 17 4.239 4.076 0.163 1
1 130 . 18 1 1 A 17 17 ALA C C 17 180.910 179.839 1.071 1
1 131 . 18 1 1 A 17 17 ALA CA C 17 55.106 55.212 -0.106 1
1 132 . 18 1 1 A 17 17 ALA CB C 17 17.990 18.749 -0.759 1
1 133 . 18 1 1 A 17 17 ALA N N 17 120.227 121.806 -1.579 1
1 134 . 18 1 1 A 18 18 LEU H H 18 7.682 8.486 -0.804 1
1 135 . 18 1 1 A 18 18 LEU HA H 18 4.187 3.913 0.274 1
1 145 . 18 1 1 A 18 18 LEU C C 18 178.977 178.977 0.000 1
1 146 . 18 1 1 A 18 18 LEU CA C 18 57.890 57.965 -0.075 1
1 147 . 18 1 1 A 18 18 LEU CB C 18 43.361 41.729 1.632 1
1 151 . 18 1 1 A 18 18 LEU N N 18 119.764 117.974 1.790 1
1 152 . 18 1 1 A 19 19 MET H H 19 8.699 8.581 0.118 1
1 153 . 18 1 1 A 19 19 MET HA H 19 3.965 4.008 -0.043 1
1 161 . 18 1 1 A 19 19 MET C C 19 179.207 178.276 0.931 1
1 162 . 18 1 1 A 19 19 MET CA C 19 59.794 58.930 0.864 1
1 163 . 18 1 1 A 19 19 MET CB C 19 32.445 32.338 0.107 1
1 166 . 18 1 1 A 19 19 MET N N 19 119.982 116.599 3.383 1
1 167 . 18 1 1 A 20 20 ASP H H 20 8.435 7.963 0.472 1
1 168 . 18 1 1 A 20 20 ASP HA H 20 4.453 4.309 0.144 1
1 171 . 18 1 1 A 20 20 ASP C C 20 179.127 178.531 0.596 1
1 172 . 18 1 1 A 20 20 ASP CA C 20 57.449 57.593 -0.144 1
1 173 . 18 1 1 A 20 20 ASP CB C 20 39.986 42.165 -2.179 1
1 174 . 18 1 1 A 20 20 ASP N N 20 120.434 120.760 -0.326 1
1 175 . 18 1 1 A 21 21 GLU H H 21 8.150 7.769 0.381 1
1 176 . 18 1 1 A 21 21 GLU HA H 21 4.168 4.022 0.146 1
1 181 . 18 1 1 A 21 21 GLU C C 21 179.405 179.283 0.122 1
1 182 . 18 1 1 A 21 21 GLU CA C 21 59.477 59.435 0.042 1
1 183 . 18 1 1 A 21 21 GLU CB C 21 29.441 29.472 -0.031 1
1 185 . 18 1 1 A 21 21 GLU N N 21 122.159 119.016 3.143 1
1 186 . 18 1 1 A 22 22 VAL H H 22 8.754 8.126 0.628 1
1 187 . 18 1 1 A 22 22 VAL HA H 22 3.484 3.656 -0.172 1
1 195 . 18 1 1 A 22 22 VAL C C 22 179.177 178.701 0.476 1
1 196 . 18 1 1 A 22 22 VAL CA C 22 67.545 66.292 1.253 1
1 197 . 18 1 1 A 22 22 VAL CB C 22 31.712 31.684 0.028 1
1 200 . 18 1 1 A 22 22 VAL N N 22 121.967 120.689 1.278 1
1 201 . 18 1 1 A 23 23 THR H H 23 8.410 7.953 0.457 1
1 202 . 18 1 1 A 23 23 THR HA H 23 3.888 3.861 0.027 1
1 207 . 18 1 1 A 23 23 THR C C 23 176.515 176.011 0.504 1
1 208 . 18 1 1 A 23 23 THR CA C 23 66.706 67.054 -0.348 1
1 209 . 18 1 1 A 23 23 THR CB C 23 68.646 68.713 -0.067 1
1 211 . 18 1 1 A 23 23 THR N N 23 119.619 116.868 2.751 1
1 212 . 18 1 1 A 24 24 LYS H H 24 8.179 8.241 -0.062 1
1 213 . 18 1 1 A 24 24 LYS HA H 24 4.055 3.886 0.169 1
1 219 . 18 1 1 A 24 24 LYS C C 24 179.223 178.604 0.619 1
1 220 . 18 1 1 A 24 24 LYS CA C 24 59.865 59.804 0.061 1
1 221 . 18 1 1 A 24 24 LYS CB C 24 32.733 32.401 0.332 1
1 225 . 18 1 1 A 24 24 LYS N N 24 122.464 121.070 1.394 1
1 226 . 18 1 1 A 25 25 GLN H H 25 8.791 8.316 0.475 1
1 227 . 18 1 1 A 25 25 GLN HA H 25 4.266 3.980 0.286 1
1 234 . 18 1 1 A 25 25 GLN C C 25 178.359 178.732 -0.373 1
1 235 . 18 1 1 A 25 25 GLN CA C 25 57.273 59.450 -2.177 1
1 236 . 18 1 1 A 25 25 GLN CB C 25 26.830 28.779 -1.949 1
1 238 . 18 1 1 A 25 25 GLN N N 25 120.181 118.313 1.868 1
1 240 . 18 1 1 A 26 26 GLY H H 26 8.828 8.064 0.764 1
1 241 . 18 1 1 A 26 26 GLY HA2 H 26 4.099 3.823 0.276 1
1 242 . 18 1 1 A 26 26 GLY HA3 H 26 3.788 3.823 -0.035 1
1 243 . 18 1 1 A 26 26 GLY C C 26 176.618 176.296 0.322 1
1 244 . 18 1 1 A 26 26 GLY CA C 26 47.161 47.317 -0.156 1
1 245 . 18 1 1 A 26 26 GLY N N 26 108.597 107.566 1.031 1
1 246 . 18 1 1 A 27 27 ASN H H 27 7.910 7.733 0.177 1
1 247 . 18 1 1 A 27 27 ASN HA H 27 4.582 4.439 0.143 1
1 252 . 18 1 1 A 27 27 ASN C C 27 177.317 178.144 -0.827 1
1 253 . 18 1 1 A 27 27 ASN CA C 27 56.074 55.671 0.403 1
1 254 . 18 1 1 A 27 27 ASN CB C 27 37.729 38.399 -0.670 1
1 255 . 18 1 1 A 27 27 ASN N N 27 121.818 120.031 1.787 1
1 257 . 18 1 1 A 28 28 ILE H H 28 7.811 8.119 -0.308 1
1 258 . 18 1 1 A 28 28 ILE HA H 28 3.789 3.680 0.109 1
1 268 . 18 1 1 A 28 28 ILE C C 28 178.445 178.520 -0.075 1
1 269 . 18 1 1 A 28 28 ILE CA C 28 65.117 65.165 -0.048 1
1 270 . 18 1 1 A 28 28 ILE CB C 28 37.914 38.047 -0.133 1
1 274 . 18 1 1 A 28 28 ILE N N 28 123.083 120.743 2.340 1
1 275 . 18 1 1 A 29 29 VAL H H 29 8.018 8.260 -0.242 1
1 276 . 18 1 1 A 29 29 VAL HA H 29 3.399 3.611 -0.212 1
1 284 . 18 1 1 A 29 29 VAL C C 29 176.953 177.924 -0.971 1
1 285 . 18 1 1 A 29 29 VAL CA C 29 67.541 66.594 0.947 1
1 286 . 18 1 1 A 29 29 VAL CB C 29 32.013 31.465 0.548 1
1 289 . 18 1 1 A 29 29 VAL N N 29 119.117 120.259 -1.142 1
1 290 . 18 1 1 A 30 30 ARG H H 30 7.965 7.737 0.228 1
1 291 . 18 1 1 A 30 30 ARG HA H 30 3.928 3.918 0.010 1
1 298 . 18 1 1 A 30 30 ARG C C 30 179.609 178.377 1.232 1
1 299 . 18 1 1 A 30 30 ARG CA C 30 60.006 59.966 0.040 1
1 300 . 18 1 1 A 30 30 ARG CB C 30 30.302 30.035 0.267 1
1 303 . 18 1 1 A 30 30 ARG N N 30 118.510 119.707 -1.197 1
1 304 . 18 1 1 A 31 31 GLU H H 31 8.211 8.225 -0.014 1
1 305 . 18 1 1 A 31 31 GLU HA H 31 4.167 4.086 0.081 1
1 310 . 18 1 1 A 31 31 GLU C C 31 178.910 179.113 -0.203 1
1 311 . 18 1 1 A 31 31 GLU CA C 31 59.195 59.105 0.090 1
1 312 . 18 1 1 A 31 31 GLU CB C 31 29.437 29.253 0.184 1
1 314 . 18 1 1 A 31 31 GLU N N 31 120.110 117.518 2.592 1
1 315 . 18 1 1 A 32 32 LEU H H 32 8.287 8.338 -0.051 1
1 316 . 18 1 1 A 32 32 LEU HA H 32 4.021 3.884 0.137 1
1 326 . 18 1 1 A 32 32 LEU C C 32 179.931 179.519 0.412 1
1 327 . 18 1 1 A 32 32 LEU CA C 32 57.979 57.850 0.129 1
1 328 . 18 1 1 A 32 32 LEU CB C 32 42.524 41.297 1.227 1
1 332 . 18 1 1 A 32 32 LEU N N 32 120.148 121.077 -0.929 1
1 333 . 18 1 1 A 33 33 LYS H H 33 8.205 7.828 0.377 1
1 334 . 18 1 1 A 33 33 LYS HA H 33 4.048 4.087 -0.039 1
1 343 . 18 1 1 A 33 33 LYS C C 33 180.739 179.889 0.850 1
1 344 . 18 1 1 A 33 33 LYS CA C 33 59.883 59.547 0.336 1
1 345 . 18 1 1 A 33 33 LYS CB C 33 32.569 32.162 0.407 1
1 349 . 18 1 1 A 33 33 LYS N N 33 117.234 117.734 -0.500 1
1 350 . 18 1 1 A 34 34 ALA H H 34 8.101 7.889 0.212 1
1 351 . 18 1 1 A 34 34 ALA HA H 34 4.185 4.057 0.128 1
1 355 . 18 1 1 A 34 34 ALA C C 34 179.304 179.077 0.227 1
1 356 . 18 1 1 A 34 34 ALA CA C 34 54.734 54.597 0.137 1
1 357 . 18 1 1 A 34 34 ALA CB C 34 18.190 18.114 0.076 1
1 358 . 18 1 1 A 34 34 ALA N N 34 123.540 121.418 2.122 1
1 359 . 18 1 1 A 35 35 GLN H H 35 7.815 7.769 0.046 1
1 360 . 18 1 1 A 35 35 GLN HA H 35 4.299 4.439 -0.140 1
1 367 . 18 1 1 A 35 35 GLN C C 35 175.344 174.448 0.896 1
1 368 . 18 1 1 A 35 35 GLN CA C 35 55.342 55.417 -0.075 1
1 369 . 18 1 1 A 35 35 GLN CB C 35 28.819 28.522 0.297 1
1 371 . 18 1 1 A 35 35 GLN N N 35 115.126 115.037 0.089 1
1 373 . 18 1 1 A 36 36 LYS H H 36 7.948 7.671 0.277 1
1 374 . 18 1 1 A 36 36 LYS HA H 36 3.963 3.790 0.173 1
1 382 . 18 1 1 A 36 36 LYS C C 36 175.883 175.780 0.103 1
1 383 . 18 1 1 A 36 36 LYS CA C 36 56.872 57.240 -0.368 1
1 384 . 18 1 1 A 36 36 LYS CB C 36 28.917 29.764 -0.847 1
1 388 . 18 1 1 A 36 36 LYS N N 36 117.310 115.726 1.584 1
1 389 . 18 1 1 A 37 37 ALA H H 37 7.646 7.442 0.204 1
1 390 . 18 1 1 A 37 37 ALA HA H 37 4.226 4.279 -0.053 1
1 394 . 18 1 1 A 37 37 ALA C C 37 176.094 176.585 -0.491 1
1 395 . 18 1 1 A 37 37 ALA CA C 37 52.143 52.414 -0.271 1
1 396 . 18 1 1 A 37 37 ALA CB C 37 20.742 19.466 1.276 1
1 397 . 18 1 1 A 37 37 ALA N N 37 120.112 119.425 0.687 1
1 398 . 18 1 1 A 38 38 ASP H H 38 8.474 8.468 0.006 1
1 399 . 18 1 1 A 38 38 ASP HA H 38 4.387 4.384 0.003 1
1 402 . 18 1 1 A 38 38 ASP C C 38 177.481 177.601 -0.120 1
1 403 . 18 1 1 A 38 38 ASP CA C 38 54.992 54.663 0.329 1
1 404 . 18 1 1 A 38 38 ASP CB C 38 43.156 42.332 0.824 1
1 405 . 18 1 1 A 38 38 ASP N N 38 119.141 121.594 -2.453 1
1 406 . 18 1 1 A 39 39 LYS H H 39 8.703 8.604 0.099 1
1 407 . 18 1 1 A 39 39 LYS HA H 39 3.967 3.896 0.071 1
1 414 . 18 1 1 A 39 39 LYS C C 39 178.806 178.165 0.641 1
1 415 . 18 1 1 A 39 39 LYS CA C 39 59.547 60.263 -0.716 1
1 416 . 18 1 1 A 39 39 LYS CB C 39 32.222 32.294 -0.072 1
1 420 . 18 1 1 A 39 39 LYS N N 39 124.290 126.223 -1.933 1
1 421 . 18 1 1 A 40 40 ASN H H 40 8.873 8.162 0.711 1
1 422 . 18 1 1 A 40 40 ASN HA H 40 4.571 4.454 0.117 1
1 427 . 18 1 1 A 40 40 ASN C C 40 178.014 177.997 0.017 1
1 428 . 18 1 1 A 40 40 ASN CA C 40 56.091 56.500 -0.409 1
1 429 . 18 1 1 A 40 40 ASN CB C 40 37.900 37.807 0.093 1
1 430 . 18 1 1 A 40 40 ASN N N 40 119.722 118.267 1.455 1
1 432 . 18 1 1 A 41 41 GLU H H 41 7.881 8.005 -0.124 1
1 433 . 18 1 1 A 41 41 GLU HA H 41 4.192 3.997 0.195 1
1 438 . 18 1 1 A 41 41 GLU C C 41 178.917 179.368 -0.451 1
1 439 . 18 1 1 A 41 41 GLU CA C 41 59.213 59.519 -0.306 1
1 440 . 18 1 1 A 41 41 GLU CB C 41 29.520 29.263 0.257 1
1 442 . 18 1 1 A 41 41 GLU N N 41 124.025 119.475 4.550 1
1 443 . 18 1 1 A 42 42 VAL H H 42 8.061 8.353 -0.292 1
1 444 . 18 1 1 A 42 42 VAL HA H 42 3.397 3.650 -0.253 1
1 452 . 18 1 1 A 42 42 VAL C C 42 177.701 178.158 -0.457 1
1 453 . 18 1 1 A 42 42 VAL CA C 42 67.341 66.367 0.974 1
1 454 . 18 1 1 A 42 42 VAL CB C 42 32.075 31.524 0.551 1
1 457 . 18 1 1 A 42 42 VAL N N 42 117.921 120.527 -2.606 1
1 458 . 18 1 1 A 43 43 ALA H H 43 8.136 8.489 -0.353 1
1 459 . 18 1 1 A 43 43 ALA HA H 43 4.101 3.916 0.185 1
1 463 . 18 1 1 A 43 43 ALA C C 43 180.808 179.432 1.376 1
1 464 . 18 1 1 A 43 43 ALA CA C 43 55.404 55.574 -0.170 1
1 465 . 18 1 1 A 43 43 ALA CB C 43 17.722 18.158 -0.436 1
1 466 . 18 1 1 A 43 43 ALA N N 43 119.833 122.060 -2.227 1
1 467 . 18 1 1 A 44 44 ALA H H 44 7.664 8.168 -0.504 1
1 468 . 18 1 1 A 44 44 ALA HA H 44 4.234 4.031 0.203 1
1 472 . 18 1 1 A 44 44 ALA C C 44 180.953 180.122 0.831 1
1 473 . 18 1 1 A 44 44 ALA CA C 44 55.122 55.473 -0.351 1
1 474 . 18 1 1 A 44 44 ALA CB C 44 18.229 18.748 -0.519 1
1 475 . 18 1 1 A 44 44 ALA N N 44 121.026 119.459 1.567 1
1 476 . 18 1 1 A 45 45 GLU H H 45 7.837 7.643 0.194 1
1 477 . 18 1 1 A 45 45 GLU HA H 45 4.447 4.035 0.412 1
1 482 . 18 1 1 A 45 45 GLU C C 45 180.357 179.228 1.129 1
1 483 . 18 1 1 A 45 45 GLU CA C 45 57.467 59.475 -2.008 1
1 484 . 18 1 1 A 45 45 GLU CB C 45 28.255 30.022 -1.767 1
1 486 . 18 1 1 A 45 45 GLU N N 45 118.409 117.877 0.532 1
1 487 . 18 1 1 A 46 46 VAL H H 46 9.024 7.850 1.174 1
1 488 . 18 1 1 A 46 46 VAL HA H 46 3.638 3.543 0.095 1
1 496 . 18 1 1 A 46 46 VAL C C 46 177.712 178.072 -0.360 1
1 497 . 18 1 1 A 46 46 VAL CA C 46 66.961 66.699 0.262 1
1 498 . 18 1 1 A 46 46 VAL CB C 46 31.910 31.523 0.387 1
1 501 . 18 1 1 A 46 46 VAL N N 46 124.975 120.810 4.165 1
1 502 . 18 1 1 A 47 47 ALA H H 47 8.130 8.166 -0.036 1
1 503 . 18 1 1 A 47 47 ALA HA H 47 4.093 4.037 0.056 1
1 507 . 18 1 1 A 47 47 ALA C C 47 180.853 179.293 1.560 1
1 508 . 18 1 1 A 47 47 ALA CA C 47 55.545 55.654 -0.109 1
1 509 . 18 1 1 A 47 47 ALA CB C 47 17.683 18.194 -0.511 1
1 510 . 18 1 1 A 47 47 ALA N N 47 122.493 121.658 0.835 1
1 511 . 18 1 1 A 48 48 LYS H H 48 7.442 7.804 -0.362 1
1 512 . 18 1 1 A 48 48 LYS HA H 48 4.183 3.930 0.253 1
1 521 . 18 1 1 A 48 48 LYS C C 48 178.698 178.551 0.147 1
1 522 . 18 1 1 A 48 48 LYS CA C 48 59.389 59.926 -0.537 1
1 523 . 18 1 1 A 48 48 LYS CB C 48 32.610 32.014 0.596 1
1 527 . 18 1 1 A 48 48 LYS N N 48 118.186 118.611 -0.425 1
1 528 . 18 1 1 A 49 49 LEU H H 49 7.822 8.503 -0.681 1
1 529 . 18 1 1 A 49 49 LEU HA H 49 4.012 4.002 0.010 1
1 539 . 18 1 1 A 49 49 LEU C C 49 177.582 178.357 -0.775 1
1 540 . 18 1 1 A 49 49 LEU CA C 49 58.490 58.266 0.224 1
1 541 . 18 1 1 A 49 49 LEU CB C 49 42.119 41.586 0.533 1
1 545 . 18 1 1 A 49 49 LEU N N 49 120.499 120.539 -0.040 1
1 546 . 18 1 1 A 50 50 LEU H H 50 8.565 7.987 0.578 1
1 547 . 18 1 1 A 50 50 LEU HA H 50 3.994 3.874 0.120 1
1 557 . 18 1 1 A 50 50 LEU C C 50 180.128 178.729 1.399 1
1 558 . 18 1 1 A 50 50 LEU CA C 50 58.330 58.001 0.329 1
1 559 . 18 1 1 A 50 50 LEU CB C 50 41.060 41.475 -0.415 1
1 563 . 18 1 1 A 50 50 LEU N N 50 118.622 119.184 -0.562 1
1 564 . 18 1 1 A 51 51 ASP H H 51 7.962 7.874 0.088 1
1 565 . 18 1 1 A 51 51 ASP HA H 51 4.480 4.280 0.200 1
1 568 . 18 1 1 A 51 51 ASP C C 51 178.808 178.560 0.248 1
1 569 . 18 1 1 A 51 51 ASP CA C 51 57.802 57.727 0.075 1
1 570 . 18 1 1 A 51 51 ASP CB C 51 41.435 41.432 0.003 1
1 571 . 18 1 1 A 51 51 ASP N N 51 120.483 119.446 1.037 1
1 572 . 18 1 1 A 52 52 LEU H H 52 8.228 8.172 0.056 1
1 573 . 18 1 1 A 52 52 LEU HA H 52 4.006 3.871 0.135 1
1 583 . 18 1 1 A 52 52 LEU C C 52 179.173 179.021 0.152 1
1 584 . 18 1 1 A 52 52 LEU CA C 52 58.190 57.964 0.226 1
1 585 . 18 1 1 A 52 52 LEU CB C 52 43.222 41.568 1.654 1
1 589 . 18 1 1 A 52 52 LEU N N 52 121.105 120.088 1.017 1
1 590 . 18 1 1 A 53 53 LYS H H 53 8.531 7.990 0.541 1
1 591 . 18 1 1 A 53 53 LYS HA H 53 3.872 3.926 -0.054 1
1 600 . 18 1 1 A 53 53 LYS C C 53 179.984 179.151 0.833 1
1 601 . 18 1 1 A 53 53 LYS CA C 53 60.699 60.357 0.342 1
1 602 . 18 1 1 A 53 53 LYS CB C 53 32.239 32.372 -0.133 1
1 606 . 18 1 1 A 53 53 LYS N N 53 118.013 116.954 1.059 1
1 607 . 18 1 1 A 54 54 LYS H H 54 8.090 7.770 0.320 1
1 608 . 18 1 1 A 54 54 LYS HA H 54 4.165 4.045 0.120 1
1 616 . 18 1 1 A 54 54 LYS C C 54 178.638 179.099 -0.461 1
1 617 . 18 1 1 A 54 54 LYS CA C 54 59.847 59.674 0.173 1
1 618 . 18 1 1 A 54 54 LYS CB C 54 32.116 32.370 -0.254 1
1 622 . 18 1 1 A 54 54 LYS N N 54 122.616 119.955 2.661 1
1 623 . 18 1 1 A 55 55 GLN H H 55 8.214 8.023 0.191 1
1 624 . 18 1 1 A 55 55 GLN HA H 55 3.976 4.022 -0.046 1
1 631 . 18 1 1 A 55 55 GLN C C 55 179.696 178.026 1.670 1
1 632 . 18 1 1 A 55 55 GLN CA C 55 59.177 58.631 0.546 1
1 633 . 18 1 1 A 55 55 GLN CB C 55 29.400 28.383 1.017 1
1 635 . 18 1 1 A 55 55 GLN N N 55 119.132 119.099 0.033 1
1 637 . 18 1 1 A 56 56 LEU H H 56 8.506 7.716 0.790 1
1 638 . 18 1 1 A 56 56 LEU HA H 56 4.116 4.153 -0.037 1
1 648 . 18 1 1 A 56 56 LEU C C 56 176.782 178.096 -1.314 1
1 649 . 18 1 1 A 56 56 LEU CA C 56 57.925 57.835 0.090 1
1 650 . 18 1 1 A 56 56 LEU CB C 56 41.465 42.038 -0.573 1
1 654 . 18 1 1 A 56 56 LEU N N 56 122.033 121.711 0.322 1
1 655 . 18 1 1 A 57 57 ALA H H 57 7.896 8.490 -0.594 1
1 656 . 18 1 1 A 57 57 ALA HA H 57 4.232 4.054 0.178 1
1 660 . 18 1 1 A 57 57 ALA C C 57 180.928 180.125 0.803 1
1 661 . 18 1 1 A 57 57 ALA CA C 57 55.246 55.425 -0.179 1
1 662 . 18 1 1 A 57 57 ALA CB C 57 17.776 18.596 -0.820 1
1 663 . 18 1 1 A 57 57 ALA N N 57 121.379 120.842 0.537 1
1 664 . 18 1 1 A 58 58 VAL H H 58 7.973 8.171 -0.198 1
1 665 . 18 1 1 A 58 58 VAL HA H 58 3.761 3.654 0.107 1
1 673 . 18 1 1 A 58 58 VAL C C 58 179.410 178.381 1.029 1
1 674 . 18 1 1 A 58 58 VAL CA C 58 65.807 66.110 -0.303 1
1 675 . 18 1 1 A 58 58 VAL CB C 58 31.978 31.477 0.501 1
1 678 . 18 1 1 A 58 58 VAL N N 58 117.592 117.955 -0.363 1
1 679 . 18 1 1 A 59 59 ALA H H 59 8.024 7.835 0.189 1
1 680 . 18 1 1 A 59 59 ALA HA H 59 4.133 4.108 0.025 1
1 684 . 18 1 1 A 59 59 ALA C C 59 179.359 179.088 0.271 1
1 685 . 18 1 1 A 59 59 ALA CA C 59 54.805 55.103 -0.298 1
1 686 . 18 1 1 A 59 59 ALA CB C 59 18.513 18.398 0.115 1
1 687 . 18 1 1 A 59 59 ALA N N 59 124.023 121.695 2.328 1
1 688 . 18 1 1 A 60 60 GLU H H 60 8.334 7.913 0.421 1
1 689 . 18 1 1 A 60 60 GLU HA H 60 4.143 4.386 -0.243 1
1 694 . 18 1 1 A 60 60 GLU C C 60 177.391 175.645 1.746 1
1 695 . 18 1 1 A 60 60 GLU CA C 60 57.915 56.139 1.776 1
1 696 . 18 1 1 A 60 60 GLU CB C 60 30.962 29.322 1.640 1
1 698 . 18 1 1 A 60 60 GLU N N 60 115.335 115.205 0.130 1
1 699 . 18 1 1 A 61 61 GLY H H 61 7.845 7.963 -0.118 1
1 700 . 18 1 1 A 61 61 GLY HA2 H 61 3.958 3.911 0.047 1
1 701 . 18 1 1 A 61 61 GLY HA3 H 61 3.958 3.911 0.047 1
1 702 . 18 1 1 A 61 61 GLY C C 61 174.090 174.696 -0.606 1
1 703 . 18 1 1 A 61 61 GLY CA C 61 45.654 47.143 -1.489 1
1 704 . 18 1 1 A 61 61 GLY N N 61 107.486 109.661 -2.175 1
1 705 . 18 1 1 A 62 62 LYS H H 62 8.068 7.999 0.069 1
1 706 . 18 1 1 A 62 62 LYS HA H 62 4.612 4.649 -0.037 1
1 715 . 18 1 1 A 62 62 LYS C C 62 174.023 174.116 -0.093 1
1 716 . 18 1 1 A 62 62 LYS CA C 62 54.147 53.342 0.805 1
1 717 . 18 1 1 A 62 62 LYS CB C 62 32.651 32.140 0.511 1
1 721 . 18 1 1 A 62 62 LYS N N 62 121.672 119.884 1.788 1
1 722 . 18 1 1 A 63 63 PRO HA H 63 4.692 4.623 0.069 1
1 729 . 18 1 1 A 63 63 PRO CA C 63 61.351 61.669 -0.318 1
1 730 . 18 1 1 A 63 63 PRO CB C 63 30.892 31.660 -0.768 1
1 733 . 18 1 1 A 64 64 PRO HA H 64 4.408 4.610 -0.202 1
1 740 . 18 1 1 A 64 64 PRO C C 64 176.775 176.460 0.315 1
1 741 . 18 1 1 A 64 64 PRO CA C 64 62.926 62.270 0.656 1
1 742 . 18 1 1 A 64 64 PRO CB C 64 32.074 33.330 -1.256 1
1 745 . 18 1 1 A 65 65 GLU H H 65 8.396 8.705 -0.309 1
1 746 . 18 1 1 A 65 65 GLU HA H 65 4.243 4.457 -0.214 1
1 751 . 18 1 1 A 65 65 GLU C C 65 175.888 175.945 -0.057 1
1 752 . 18 1 1 A 65 65 GLU CA C 65 56.083 56.029 0.054 1
1 753 . 18 1 1 A 65 65 GLU CB C 65 30.722 28.530 2.192 1
1 755 . 18 1 1 A 65 65 GLU N N 65 121.093 120.222 0.871 1
1 756 . 18 1 1 A 66 66 ALA H H 66 8.434 7.679 0.755 1
1 757 . 18 1 1 A 66 66 ALA HA H 66 4.583 4.195 0.388 1
1 761 . 18 1 1 A 66 66 ALA C C 66 175.504 176.005 -0.501 1
1 762 . 18 1 1 A 66 66 ALA CA C 66 50.482 50.680 -0.198 1
1 763 . 18 1 1 A 66 66 ALA CB C 66 18.108 19.342 -1.234 1
1 764 . 18 1 1 A 66 66 ALA N N 66 127.348 123.444 3.904 1
1 765 . 18 1 1 A 67 67 PRO HA H 67 4.408 4.532 -0.124 1
1 772 . 18 1 1 A 67 67 PRO C C 67 177.111 176.448 0.663 1
1 773 . 18 1 1 A 67 67 PRO CA C 67 63.056 62.356 0.700 1
1 774 . 18 1 1 A 67 67 PRO CB C 67 32.074 32.534 -0.460 1
1 777 . 18 1 1 A 68 68 LYS H H 68 8.479 8.351 0.128 1
1 778 . 18 1 1 A 68 68 LYS HA H 68 4.291 3.926 0.365 1
1 787 . 18 1 1 A 68 68 LYS C C 68 177.292 176.814 0.478 1
1 788 . 18 1 1 A 68 68 LYS CA C 68 56.322 58.249 -1.927 1
1 789 . 18 1 1 A 68 68 LYS CB C 68 33.146 32.356 0.790 1
1 793 . 18 1 1 A 68 68 LYS N N 68 121.836 122.407 -0.571 1
1 794 . 18 1 1 A 69 69 GLY H H 69 8.387 8.386 0.001 1
1 795 . 18 1 1 A 69 69 GLY HA2 H 69 3.948 4.236 -0.288 1
1 796 . 18 1 1 A 69 69 GLY HA3 H 69 3.948 4.236 -0.288 1
1 797 . 18 1 1 A 69 69 GLY C C 69 173.940 172.131 1.809 1
1 798 . 18 1 1 A 69 69 GLY CA C 69 45.160 46.175 -1.015 1
1 799 . 18 1 1 A 69 69 GLY N N 69 109.796 110.821 -1.025 1
1 800 . 18 1 1 A 70 70 LYS H H 70 8.196 8.479 -0.283 1
1 801 . 18 1 1 A 70 70 LYS HA H 70 4.318 5.016 -0.698 1
1 810 . 18 1 1 A 70 70 LYS C C 70 176.642 175.164 1.478 1
1 811 . 18 1 1 A 70 70 LYS CA C 70 56.127 54.680 1.447 1
1 812 . 18 1 1 A 70 70 LYS CB C 70 33.272 36.319 -3.047 1
1 816 . 18 1 1 A 70 70 LYS N N 70 121.044 118.355 2.689 1
1 817 . 18 1 1 A 71 71 LYS H H 71 8.348 8.319 0.029 1
1 818 . 18 1 1 A 71 71 LYS HA H 71 4.273 4.452 -0.179 1
1 827 . 18 1 1 A 71 71 LYS C C 71 176.548 175.644 0.904 1
1 828 . 18 1 1 A 71 71 LYS CA C 71 56.285 56.262 0.023 1
1 829 . 18 1 1 A 71 71 LYS CB C 71 33.270 33.220 0.050 1
1 833 . 18 1 1 A 71 71 LYS N N 71 123.152 120.627 2.525 1
1 834 . 18 1 1 A 72 72 LYS H H 72 8.405 8.729 -0.324 1
1 835 . 18 1 1 A 72 72 LYS HA H 72 4.273 4.817 -0.544 1
1 836 . 18 1 1 A 72 72 LYS C C 72 176.499 174.973 1.526 1
1 837 . 18 1 1 A 72 72 LYS CA C 72 56.356 55.116 1.240 1
1 838 . 18 1 1 A 72 72 LYS CB C 72 33.146 33.856 -0.710 1
1 1 . 19 1 1 A 7 7 GLY HA2 H 7 4.042 4.085 -0.043 1
1 2 . 19 1 1 A 7 7 GLY HA3 H 7 4.042 4.085 -0.043 1
1 3 . 19 1 1 A 7 7 GLY C C 7 174.377 172.265 2.112 1
1 4 . 19 1 1 A 7 7 GLY CA C 7 45.425 44.960 0.465 1
1 5 . 19 1 1 A 8 8 THR H H 8 8.131 8.639 -0.508 1
1 6 . 19 1 1 A 8 8 THR HA H 8 4.448 5.071 -0.623 1
1 11 . 19 1 1 A 8 8 THR C C 8 174.773 172.961 1.812 1
1 12 . 19 1 1 A 8 8 THR CA C 8 61.787 59.613 2.174 1
1 13 . 19 1 1 A 8 8 THR CB C 8 69.913 71.127 -1.214 1
1 15 . 19 1 1 A 8 8 THR N N 8 113.630 117.165 -3.535 1
1 16 . 19 1 1 A 9 9 THR H H 9 8.180 8.734 -0.554 1
1 17 . 19 1 1 A 9 9 THR HA H 9 4.355 4.593 -0.238 1
1 22 . 19 1 1 A 9 9 THR C C 9 174.203 174.013 0.190 1
1 23 . 19 1 1 A 9 9 THR CA C 9 61.892 62.367 -0.475 1
1 24 . 19 1 1 A 9 9 THR CB C 9 69.891 69.108 0.783 1
1 26 . 19 1 1 A 9 9 THR N N 9 116.604 122.472 -5.868 1
1 27 . 19 1 1 A 10 10 ALA H H 10 8.405 8.382 0.023 1
1 28 . 19 1 1 A 10 10 ALA HA H 10 4.376 4.707 -0.331 1
1 32 . 19 1 1 A 10 10 ALA C C 10 177.430 176.978 0.452 1
1 33 . 19 1 1 A 10 10 ALA CA C 10 52.317 50.029 2.288 1
1 34 . 19 1 1 A 10 10 ALA CB C 10 19.506 22.127 -2.621 1
1 35 . 19 1 1 A 10 10 ALA N N 10 126.934 130.884 -3.950 1
1 36 . 19 1 1 A 11 11 LYS H H 11 8.462 9.127 -0.665 1
1 37 . 19 1 1 A 11 11 LYS HA H 11 4.575 4.379 0.196 1
1 46 . 19 1 1 A 11 11 LYS C C 11 174.921 177.175 -2.254 1
1 47 . 19 1 1 A 11 11 LYS CA C 11 55.122 60.359 -5.237 1
1 48 . 19 1 1 A 11 11 LYS CB C 11 31.910 32.713 -0.803 1
1 52 . 19 1 1 A 11 11 LYS N N 11 121.526 120.784 0.742 1
1 53 . 19 1 1 A 12 12 PRO HA H 12 4.363 4.353 0.010 1
1 60 . 19 1 1 A 12 12 PRO C C 12 178.290 178.844 -0.554 1
1 61 . 19 1 1 A 12 12 PRO CA C 12 64.502 65.119 -0.617 1
1 62 . 19 1 1 A 12 12 PRO CB C 12 31.992 30.907 1.085 1
1 65 . 19 1 1 A 13 13 GLN H H 13 8.665 8.293 0.372 1
1 66 . 19 1 1 A 13 13 GLN HA H 13 4.158 4.074 0.084 1
1 73 . 19 1 1 A 13 13 GLN C C 13 177.727 178.459 -0.732 1
1 74 . 19 1 1 A 13 13 GLN CA C 13 58.366 59.040 -0.674 1
1 75 . 19 1 1 A 13 13 GLN CB C 13 28.584 28.449 0.135 1
1 77 . 19 1 1 A 13 13 GLN N N 13 119.964 117.605 2.359 1
1 79 . 19 1 1 A 14 14 GLN H H 14 8.376 8.211 0.165 1
1 80 . 19 1 1 A 14 14 GLN HA H 14 4.217 4.097 0.120 1
1 87 . 19 1 1 A 14 14 GLN C C 14 178.304 177.946 0.358 1
1 88 . 19 1 1 A 14 14 GLN CA C 14 58.190 58.064 0.126 1
1 89 . 19 1 1 A 14 14 GLN CB C 14 28.639 27.932 0.707 1
1 91 . 19 1 1 A 14 14 GLN N N 14 120.039 117.581 2.458 1
1 93 . 19 1 1 A 15 15 ILE H H 15 7.802 8.008 -0.206 1
1 94 . 19 1 1 A 15 15 ILE HA H 15 3.654 3.650 0.004 1
1 104 . 19 1 1 A 15 15 ILE C C 15 177.183 178.009 -0.826 1
1 105 . 19 1 1 A 15 15 ILE CA C 15 64.643 65.249 -0.606 1
1 106 . 19 1 1 A 15 15 ILE CB C 15 37.828 37.686 0.142 1
1 110 . 19 1 1 A 15 15 ILE N N 15 119.981 121.672 -1.691 1
1 111 . 19 1 1 A 16 16 GLN H H 16 8.159 8.102 0.057 1
1 112 . 19 1 1 A 16 16 GLN HA H 16 3.958 3.987 -0.029 1
1 119 . 19 1 1 A 16 16 GLN C C 16 177.647 177.820 -0.173 1
1 120 . 19 1 1 A 16 16 GLN CA C 16 58.648 58.904 -0.256 1
1 121 . 19 1 1 A 16 16 GLN CB C 16 28.531 28.545 -0.014 1
1 123 . 19 1 1 A 16 16 GLN N N 16 119.695 119.913 -0.218 1
1 125 . 19 1 1 A 17 17 ALA H H 17 7.946 7.951 -0.005 1
1 126 . 19 1 1 A 17 17 ALA HA H 17 4.239 4.031 0.208 1
1 130 . 19 1 1 A 17 17 ALA C C 17 180.910 179.833 1.077 1
1 131 . 19 1 1 A 17 17 ALA CA C 17 55.106 54.912 0.194 1
1 132 . 19 1 1 A 17 17 ALA CB C 17 17.990 18.378 -0.388 1
1 133 . 19 1 1 A 17 17 ALA N N 17 120.227 122.436 -2.209 1
1 134 . 19 1 1 A 18 18 LEU H H 18 7.682 8.201 -0.519 1
1 135 . 19 1 1 A 18 18 LEU HA H 18 4.187 3.857 0.330 1
1 145 . 19 1 1 A 18 18 LEU C C 18 178.977 178.840 0.137 1
1 146 . 19 1 1 A 18 18 LEU CA C 18 57.890 58.059 -0.169 1
1 147 . 19 1 1 A 18 18 LEU CB C 18 43.361 42.132 1.229 1
1 151 . 19 1 1 A 18 18 LEU N N 18 119.764 118.650 1.114 1
1 152 . 19 1 1 A 19 19 MET H H 19 8.699 8.451 0.248 1
1 153 . 19 1 1 A 19 19 MET HA H 19 3.965 4.001 -0.036 1
1 161 . 19 1 1 A 19 19 MET C C 19 179.207 178.315 0.892 1
1 162 . 19 1 1 A 19 19 MET CA C 19 59.794 58.896 0.898 1
1 163 . 19 1 1 A 19 19 MET CB C 19 32.445 32.144 0.301 1
1 166 . 19 1 1 A 19 19 MET N N 19 119.982 116.623 3.359 1
1 167 . 19 1 1 A 20 20 ASP H H 20 8.435 7.721 0.714 1
1 168 . 19 1 1 A 20 20 ASP HA H 20 4.453 4.296 0.157 1
1 171 . 19 1 1 A 20 20 ASP C C 20 179.127 178.608 0.519 1
1 172 . 19 1 1 A 20 20 ASP CA C 20 57.449 57.783 -0.334 1
1 173 . 19 1 1 A 20 20 ASP CB C 20 39.986 41.750 -1.764 1
1 174 . 19 1 1 A 20 20 ASP N N 20 120.434 120.570 -0.136 1
1 175 . 19 1 1 A 21 21 GLU H H 21 8.150 8.032 0.118 1
1 176 . 19 1 1 A 21 21 GLU HA H 21 4.168 3.985 0.183 1
1 181 . 19 1 1 A 21 21 GLU C C 21 179.405 179.429 -0.024 1
1 182 . 19 1 1 A 21 21 GLU CA C 21 59.477 59.521 -0.044 1
1 183 . 19 1 1 A 21 21 GLU CB C 21 29.441 29.248 0.193 1
1 185 . 19 1 1 A 21 21 GLU N N 21 122.159 118.394 3.765 1
1 186 . 19 1 1 A 22 22 VAL H H 22 8.754 7.802 0.952 1
1 187 . 19 1 1 A 22 22 VAL HA H 22 3.484 3.699 -0.215 1
1 195 . 19 1 1 A 22 22 VAL C C 22 179.177 178.494 0.683 1
1 196 . 19 1 1 A 22 22 VAL CA C 22 67.545 65.815 1.730 1
1 197 . 19 1 1 A 22 22 VAL CB C 22 31.712 31.660 0.052 1
1 200 . 19 1 1 A 22 22 VAL N N 22 121.967 120.101 1.866 1
1 201 . 19 1 1 A 23 23 THR H H 23 8.410 7.968 0.442 1
1 202 . 19 1 1 A 23 23 THR HA H 23 3.888 3.988 -0.100 1
1 207 . 19 1 1 A 23 23 THR C C 23 176.515 176.027 0.488 1
1 208 . 19 1 1 A 23 23 THR CA C 23 66.706 66.815 -0.109 1
1 209 . 19 1 1 A 23 23 THR CB C 23 68.646 68.809 -0.163 1
1 211 . 19 1 1 A 23 23 THR N N 23 119.619 116.397 3.222 1
1 212 . 19 1 1 A 24 24 LYS H H 24 8.179 8.303 -0.124 1
1 213 . 19 1 1 A 24 24 LYS HA H 24 4.055 3.882 0.173 1
1 219 . 19 1 1 A 24 24 LYS C C 24 179.223 178.391 0.832 1
1 220 . 19 1 1 A 24 24 LYS CA C 24 59.865 59.749 0.116 1
1 221 . 19 1 1 A 24 24 LYS CB C 24 32.733 32.553 0.180 1
1 225 . 19 1 1 A 24 24 LYS N N 24 122.464 121.103 1.361 1
1 226 . 19 1 1 A 25 25 GLN H H 25 8.791 8.159 0.632 1
1 227 . 19 1 1 A 25 25 GLN HA H 25 4.266 3.997 0.269 1
1 234 . 19 1 1 A 25 25 GLN C C 25 178.359 178.819 -0.460 1
1 235 . 19 1 1 A 25 25 GLN CA C 25 57.273 59.491 -2.218 1
1 236 . 19 1 1 A 25 25 GLN CB C 25 26.830 28.430 -1.600 1
1 238 . 19 1 1 A 25 25 GLN N N 25 120.181 118.616 1.565 1
1 240 . 19 1 1 A 26 26 GLY H H 26 8.828 8.531 0.297 1
1 241 . 19 1 1 A 26 26 GLY HA2 H 26 4.099 3.781 0.318 1
1 242 . 19 1 1 A 26 26 GLY HA3 H 26 3.788 3.781 0.007 1
1 243 . 19 1 1 A 26 26 GLY C C 26 176.618 175.948 0.670 1
1 244 . 19 1 1 A 26 26 GLY CA C 26 47.161 47.295 -0.134 1
1 245 . 19 1 1 A 26 26 GLY N N 26 108.597 107.491 1.106 1
1 246 . 19 1 1 A 27 27 ASN H H 27 7.910 7.771 0.139 1
1 247 . 19 1 1 A 27 27 ASN HA H 27 4.582 4.436 0.146 1
1 252 . 19 1 1 A 27 27 ASN C C 27 177.317 177.968 -0.651 1
1 253 . 19 1 1 A 27 27 ASN CA C 27 56.074 55.720 0.354 1
1 254 . 19 1 1 A 27 27 ASN CB C 27 37.729 38.340 -0.611 1
1 255 . 19 1 1 A 27 27 ASN N N 27 121.818 119.322 2.496 1
1 257 . 19 1 1 A 28 28 ILE H H 28 7.811 8.019 -0.208 1
1 258 . 19 1 1 A 28 28 ILE HA H 28 3.789 3.682 0.107 1
1 268 . 19 1 1 A 28 28 ILE C C 28 178.445 177.758 0.687 1
1 269 . 19 1 1 A 28 28 ILE CA C 28 65.117 65.278 -0.161 1
1 270 . 19 1 1 A 28 28 ILE CB C 28 37.914 37.869 0.045 1
1 274 . 19 1 1 A 28 28 ILE N N 28 123.083 120.218 2.865 1
1 275 . 19 1 1 A 29 29 VAL H H 29 8.018 7.825 0.193 1
1 276 . 19 1 1 A 29 29 VAL HA H 29 3.399 3.443 -0.044 1
1 284 . 19 1 1 A 29 29 VAL C C 29 176.953 177.861 -0.908 1
1 285 . 19 1 1 A 29 29 VAL CA C 29 67.541 67.199 0.342 1
1 286 . 19 1 1 A 29 29 VAL CB C 29 32.013 31.472 0.541 1
1 289 . 19 1 1 A 29 29 VAL N N 29 119.117 119.817 -0.700 1
1 290 . 19 1 1 A 30 30 ARG H H 30 7.965 7.942 0.023 1
1 291 . 19 1 1 A 30 30 ARG HA H 30 3.928 3.945 -0.017 1
1 298 . 19 1 1 A 30 30 ARG C C 30 179.609 179.115 0.494 1
1 299 . 19 1 1 A 30 30 ARG CA C 30 60.006 59.973 0.033 1
1 300 . 19 1 1 A 30 30 ARG CB C 30 30.302 29.856 0.446 1
1 303 . 19 1 1 A 30 30 ARG N N 30 118.510 119.829 -1.319 1
1 304 . 19 1 1 A 31 31 GLU H H 31 8.211 8.020 0.191 1
1 305 . 19 1 1 A 31 31 GLU HA H 31 4.167 4.001 0.166 1
1 310 . 19 1 1 A 31 31 GLU C C 31 178.910 178.780 0.130 1
1 311 . 19 1 1 A 31 31 GLU CA C 31 59.195 58.518 0.677 1
1 312 . 19 1 1 A 31 31 GLU CB C 31 29.437 29.546 -0.109 1
1 314 . 19 1 1 A 31 31 GLU N N 31 120.110 118.341 1.769 1
1 315 . 19 1 1 A 32 32 LEU H H 32 8.287 8.157 0.130 1
1 316 . 19 1 1 A 32 32 LEU HA H 32 4.021 4.054 -0.033 1
1 326 . 19 1 1 A 32 32 LEU C C 32 179.931 179.721 0.210 1
1 327 . 19 1 1 A 32 32 LEU CA C 32 57.979 58.019 -0.040 1
1 328 . 19 1 1 A 32 32 LEU CB C 32 42.524 41.373 1.151 1
1 332 . 19 1 1 A 32 32 LEU N N 32 120.148 120.213 -0.065 1
1 333 . 19 1 1 A 33 33 LYS H H 33 8.205 8.390 -0.185 1
1 334 . 19 1 1 A 33 33 LYS HA H 33 4.048 4.183 -0.135 1
1 343 . 19 1 1 A 33 33 LYS C C 33 180.739 177.349 3.390 1
1 344 . 19 1 1 A 33 33 LYS CA C 33 59.883 58.855 1.028 1
1 345 . 19 1 1 A 33 33 LYS CB C 33 32.569 32.233 0.336 1
1 349 . 19 1 1 A 33 33 LYS N N 33 117.234 117.401 -0.167 1
1 350 . 19 1 1 A 34 34 ALA H H 34 8.101 7.803 0.298 1
1 351 . 19 1 1 A 34 34 ALA HA H 34 4.185 4.237 -0.052 1
1 355 . 19 1 1 A 34 34 ALA C C 34 179.304 177.894 1.410 1
1 356 . 19 1 1 A 34 34 ALA CA C 34 54.734 52.726 2.008 1
1 357 . 19 1 1 A 34 34 ALA CB C 34 18.190 19.428 -1.238 1
1 358 . 19 1 1 A 34 34 ALA N N 34 123.540 121.413 2.127 1
1 359 . 19 1 1 A 35 35 GLN H H 35 7.815 7.426 0.389 1
1 360 . 19 1 1 A 35 35 GLN HA H 35 4.299 4.473 -0.174 1
1 367 . 19 1 1 A 35 35 GLN C C 35 175.344 174.552 0.792 1
1 368 . 19 1 1 A 35 35 GLN CA C 35 55.342 55.148 0.194 1
1 369 . 19 1 1 A 35 35 GLN CB C 35 28.819 28.684 0.135 1
1 371 . 19 1 1 A 35 35 GLN N N 35 115.126 116.270 -1.144 1
1 373 . 19 1 1 A 36 36 LYS H H 36 7.948 7.935 0.013 1
1 374 . 19 1 1 A 36 36 LYS HA H 36 3.963 3.841 0.122 1
1 382 . 19 1 1 A 36 36 LYS C C 36 175.883 175.675 0.208 1
1 383 . 19 1 1 A 36 36 LYS CA C 36 56.872 57.206 -0.334 1
1 384 . 19 1 1 A 36 36 LYS CB C 36 28.917 29.640 -0.723 1
1 388 . 19 1 1 A 36 36 LYS N N 36 117.310 116.356 0.954 1
1 389 . 19 1 1 A 37 37 ALA H H 37 7.646 7.362 0.284 1
1 390 . 19 1 1 A 37 37 ALA HA H 37 4.226 4.256 -0.030 1
1 394 . 19 1 1 A 37 37 ALA C C 37 176.094 176.641 -0.547 1
1 395 . 19 1 1 A 37 37 ALA CA C 37 52.143 52.708 -0.565 1
1 396 . 19 1 1 A 37 37 ALA CB C 37 20.742 19.874 0.868 1
1 397 . 19 1 1 A 37 37 ALA N N 37 120.112 120.481 -0.369 1
1 398 . 19 1 1 A 38 38 ASP H H 38 8.474 8.389 0.085 1
1 399 . 19 1 1 A 38 38 ASP HA H 38 4.387 4.388 -0.001 1
1 402 . 19 1 1 A 38 38 ASP C C 38 177.481 177.706 -0.225 1
1 403 . 19 1 1 A 38 38 ASP CA C 38 54.992 54.642 0.350 1
1 404 . 19 1 1 A 38 38 ASP CB C 38 43.156 42.672 0.484 1
1 405 . 19 1 1 A 38 38 ASP N N 38 119.141 121.096 -1.955 1
1 406 . 19 1 1 A 39 39 LYS H H 39 8.703 8.672 0.031 1
1 407 . 19 1 1 A 39 39 LYS HA H 39 3.967 3.917 0.050 1
1 414 . 19 1 1 A 39 39 LYS C C 39 178.806 178.889 -0.083 1
1 415 . 19 1 1 A 39 39 LYS CA C 39 59.547 59.971 -0.424 1
1 416 . 19 1 1 A 39 39 LYS CB C 39 32.222 32.070 0.152 1
1 420 . 19 1 1 A 39 39 LYS N N 39 124.290 126.064 -1.774 1
1 421 . 19 1 1 A 40 40 ASN H H 40 8.873 8.197 0.676 1
1 422 . 19 1 1 A 40 40 ASN HA H 40 4.571 4.380 0.191 1
1 427 . 19 1 1 A 40 40 ASN C C 40 178.014 177.802 0.212 1
1 428 . 19 1 1 A 40 40 ASN CA C 40 56.091 56.538 -0.447 1
1 429 . 19 1 1 A 40 40 ASN CB C 40 37.900 39.602 -1.702 1
1 430 . 19 1 1 A 40 40 ASN N N 40 119.722 117.898 1.824 1
1 432 . 19 1 1 A 41 41 GLU H H 41 7.881 8.025 -0.144 1
1 433 . 19 1 1 A 41 41 GLU HA H 41 4.192 4.012 0.180 1
1 438 . 19 1 1 A 41 41 GLU C C 41 178.917 179.435 -0.518 1
1 439 . 19 1 1 A 41 41 GLU CA C 41 59.213 59.461 -0.248 1
1 440 . 19 1 1 A 41 41 GLU CB C 41 29.520 29.419 0.101 1
1 442 . 19 1 1 A 41 41 GLU N N 41 124.025 118.277 5.748 1
1 443 . 19 1 1 A 42 42 VAL H H 42 8.061 8.319 -0.258 1
1 444 . 19 1 1 A 42 42 VAL HA H 42 3.397 3.575 -0.178 1
1 452 . 19 1 1 A 42 42 VAL C C 42 177.701 177.935 -0.234 1
1 453 . 19 1 1 A 42 42 VAL CA C 42 67.341 66.396 0.945 1
1 454 . 19 1 1 A 42 42 VAL CB C 42 32.075 31.477 0.598 1
1 457 . 19 1 1 A 42 42 VAL N N 42 117.921 120.411 -2.490 1
1 458 . 19 1 1 A 43 43 ALA H H 43 8.136 8.697 -0.561 1
1 459 . 19 1 1 A 43 43 ALA HA H 43 4.101 3.994 0.107 1
1 463 . 19 1 1 A 43 43 ALA C C 43 180.808 179.533 1.275 1
1 464 . 19 1 1 A 43 43 ALA CA C 43 55.404 55.587 -0.183 1
1 465 . 19 1 1 A 43 43 ALA CB C 43 17.722 18.654 -0.932 1
1 466 . 19 1 1 A 43 43 ALA N N 43 119.833 121.903 -2.070 1
1 467 . 19 1 1 A 44 44 ALA H H 44 7.664 7.811 -0.147 1
1 468 . 19 1 1 A 44 44 ALA HA H 44 4.234 4.026 0.208 1
1 472 . 19 1 1 A 44 44 ALA C C 44 180.953 180.190 0.763 1
1 473 . 19 1 1 A 44 44 ALA CA C 44 55.122 55.454 -0.332 1
1 474 . 19 1 1 A 44 44 ALA CB C 44 18.229 18.633 -0.404 1
1 475 . 19 1 1 A 44 44 ALA N N 44 121.026 119.552 1.474 1
1 476 . 19 1 1 A 45 45 GLU H H 45 7.837 7.977 -0.140 1
1 477 . 19 1 1 A 45 45 GLU HA H 45 4.447 3.997 0.450 1
1 482 . 19 1 1 A 45 45 GLU C C 45 180.357 179.549 0.808 1
1 483 . 19 1 1 A 45 45 GLU CA C 45 57.467 59.511 -2.044 1
1 484 . 19 1 1 A 45 45 GLU CB C 45 28.255 29.691 -1.436 1
1 486 . 19 1 1 A 45 45 GLU N N 45 118.409 117.948 0.461 1
1 487 . 19 1 1 A 46 46 VAL H H 46 9.024 8.359 0.665 1
1 488 . 19 1 1 A 46 46 VAL HA H 46 3.638 3.561 0.077 1
1 496 . 19 1 1 A 46 46 VAL C C 46 177.712 178.003 -0.291 1
1 497 . 19 1 1 A 46 46 VAL CA C 46 66.961 66.554 0.407 1
1 498 . 19 1 1 A 46 46 VAL CB C 46 31.910 31.521 0.389 1
1 501 . 19 1 1 A 46 46 VAL N N 46 124.975 120.904 4.071 1
1 502 . 19 1 1 A 47 47 ALA H H 47 8.130 8.387 -0.257 1
1 503 . 19 1 1 A 47 47 ALA HA H 47 4.093 4.069 0.024 1
1 507 . 19 1 1 A 47 47 ALA C C 47 180.853 179.257 1.596 1
1 508 . 19 1 1 A 47 47 ALA CA C 47 55.545 55.447 0.098 1
1 509 . 19 1 1 A 47 47 ALA CB C 47 17.683 18.464 -0.781 1
1 510 . 19 1 1 A 47 47 ALA N N 47 122.493 121.760 0.733 1
1 511 . 19 1 1 A 48 48 LYS H H 48 7.442 8.047 -0.605 1
1 512 . 19 1 1 A 48 48 LYS HA H 48 4.183 3.954 0.229 1
1 521 . 19 1 1 A 48 48 LYS C C 48 178.698 178.545 0.153 1
1 522 . 19 1 1 A 48 48 LYS CA C 48 59.389 59.731 -0.342 1
1 523 . 19 1 1 A 48 48 LYS CB C 48 32.610 32.236 0.374 1
1 527 . 19 1 1 A 48 48 LYS N N 48 118.186 118.873 -0.687 1
1 528 . 19 1 1 A 49 49 LEU H H 49 7.822 7.828 -0.006 1
1 529 . 19 1 1 A 49 49 LEU HA H 49 4.012 4.007 0.005 1
1 539 . 19 1 1 A 49 49 LEU C C 49 177.582 178.365 -0.783 1
1 540 . 19 1 1 A 49 49 LEU CA C 49 58.490 58.123 0.367 1
1 541 . 19 1 1 A 49 49 LEU CB C 49 42.119 41.902 0.217 1
1 545 . 19 1 1 A 49 49 LEU N N 49 120.499 120.878 -0.379 1
1 546 . 19 1 1 A 50 50 LEU H H 50 8.565 8.237 0.328 1
1 547 . 19 1 1 A 50 50 LEU HA H 50 3.994 4.005 -0.011 1
1 557 . 19 1 1 A 50 50 LEU C C 50 180.128 179.162 0.966 1
1 558 . 19 1 1 A 50 50 LEU CA C 50 58.330 57.279 1.051 1
1 559 . 19 1 1 A 50 50 LEU CB C 50 41.060 41.586 -0.526 1
1 563 . 19 1 1 A 50 50 LEU N N 50 118.622 119.511 -0.889 1
1 564 . 19 1 1 A 51 51 ASP H H 51 7.962 7.907 0.055 1
1 565 . 19 1 1 A 51 51 ASP HA H 51 4.480 4.583 -0.103 1
1 568 . 19 1 1 A 51 51 ASP C C 51 178.808 178.692 0.116 1
1 569 . 19 1 1 A 51 51 ASP CA C 51 57.802 56.447 1.355 1
1 570 . 19 1 1 A 51 51 ASP CB C 51 41.435 41.151 0.284 1
1 571 . 19 1 1 A 51 51 ASP N N 51 120.483 119.915 0.568 1
1 572 . 19 1 1 A 52 52 LEU H H 52 8.228 8.480 -0.252 1
1 573 . 19 1 1 A 52 52 LEU HA H 52 4.006 3.929 0.077 1
1 583 . 19 1 1 A 52 52 LEU C C 52 179.173 179.732 -0.559 1
1 584 . 19 1 1 A 52 52 LEU CA C 52 58.190 57.665 0.525 1
1 585 . 19 1 1 A 52 52 LEU CB C 52 43.222 41.624 1.598 1
1 589 . 19 1 1 A 52 52 LEU N N 52 121.105 120.024 1.081 1
1 590 . 19 1 1 A 53 53 LYS H H 53 8.531 7.811 0.720 1
1 591 . 19 1 1 A 53 53 LYS HA H 53 3.872 4.002 -0.130 1
1 600 . 19 1 1 A 53 53 LYS C C 53 179.984 179.217 0.767 1
1 601 . 19 1 1 A 53 53 LYS CA C 53 60.699 60.001 0.698 1
1 602 . 19 1 1 A 53 53 LYS CB C 53 32.239 32.071 0.168 1
1 606 . 19 1 1 A 53 53 LYS N N 53 118.013 119.118 -1.105 1
1 607 . 19 1 1 A 54 54 LYS H H 54 8.090 8.363 -0.273 1
1 608 . 19 1 1 A 54 54 LYS HA H 54 4.165 4.075 0.090 1
1 616 . 19 1 1 A 54 54 LYS C C 54 178.638 178.935 -0.297 1
1 617 . 19 1 1 A 54 54 LYS CA C 54 59.847 59.156 0.691 1
1 618 . 19 1 1 A 54 54 LYS CB C 54 32.116 32.122 -0.006 1
1 622 . 19 1 1 A 54 54 LYS N N 54 122.616 118.972 3.644 1
1 623 . 19 1 1 A 55 55 GLN H H 55 8.214 7.873 0.341 1
1 624 . 19 1 1 A 55 55 GLN HA H 55 3.976 4.045 -0.069 1
1 631 . 19 1 1 A 55 55 GLN C C 55 179.696 178.175 1.521 1
1 632 . 19 1 1 A 55 55 GLN CA C 55 59.177 58.669 0.508 1
1 633 . 19 1 1 A 55 55 GLN CB C 55 29.400 28.428 0.972 1
1 635 . 19 1 1 A 55 55 GLN N N 55 119.132 119.270 -0.138 1
1 637 . 19 1 1 A 56 56 LEU H H 56 8.506 8.314 0.192 1
1 638 . 19 1 1 A 56 56 LEU HA H 56 4.116 3.984 0.132 1
1 648 . 19 1 1 A 56 56 LEU C C 56 176.782 178.333 -1.551 1
1 649 . 19 1 1 A 56 56 LEU CA C 56 57.925 58.469 -0.544 1
1 650 . 19 1 1 A 56 56 LEU CB C 56 41.465 41.975 -0.510 1
1 654 . 19 1 1 A 56 56 LEU N N 56 122.033 122.171 -0.138 1
1 655 . 19 1 1 A 57 57 ALA H H 57 7.896 7.828 0.068 1
1 656 . 19 1 1 A 57 57 ALA HA H 57 4.232 4.404 -0.172 1
1 660 . 19 1 1 A 57 57 ALA C C 57 180.928 180.136 0.792 1
1 661 . 19 1 1 A 57 57 ALA CA C 57 55.246 55.492 -0.246 1
1 662 . 19 1 1 A 57 57 ALA CB C 57 17.776 18.569 -0.793 1
1 663 . 19 1 1 A 57 57 ALA N N 57 121.379 120.259 1.120 1
1 664 . 19 1 1 A 58 58 VAL H H 58 7.973 7.844 0.129 1
1 665 . 19 1 1 A 58 58 VAL HA H 58 3.761 3.600 0.161 1
1 673 . 19 1 1 A 58 58 VAL C C 58 179.410 177.671 1.739 1
1 674 . 19 1 1 A 58 58 VAL CA C 58 65.807 66.707 -0.900 1
1 675 . 19 1 1 A 58 58 VAL CB C 58 31.978 31.523 0.455 1
1 678 . 19 1 1 A 58 58 VAL N N 58 117.592 117.810 -0.218 1
1 679 . 19 1 1 A 59 59 ALA H H 59 8.024 8.207 -0.183 1
1 680 . 19 1 1 A 59 59 ALA HA H 59 4.133 4.049 0.084 1
1 684 . 19 1 1 A 59 59 ALA C C 59 179.359 179.857 -0.498 1
1 685 . 19 1 1 A 59 59 ALA CA C 59 54.805 55.572 -0.767 1
1 686 . 19 1 1 A 59 59 ALA CB C 59 18.513 18.634 -0.121 1
1 687 . 19 1 1 A 59 59 ALA N N 59 124.023 121.636 2.387 1
1 688 . 19 1 1 A 60 60 GLU H H 60 8.334 7.966 0.368 1
1 689 . 19 1 1 A 60 60 GLU HA H 60 4.143 4.236 -0.093 1
1 694 . 19 1 1 A 60 60 GLU C C 60 177.391 176.629 0.762 1
1 695 . 19 1 1 A 60 60 GLU CA C 60 57.915 56.878 1.037 1
1 696 . 19 1 1 A 60 60 GLU CB C 60 30.962 30.084 0.878 1
1 698 . 19 1 1 A 60 60 GLU N N 60 115.335 115.056 0.279 1
1 699 . 19 1 1 A 61 61 GLY H H 61 7.845 8.257 -0.412 1
1 700 . 19 1 1 A 61 61 GLY HA2 H 61 3.958 4.036 -0.078 1
1 701 . 19 1 1 A 61 61 GLY HA3 H 61 3.958 4.036 -0.078 1
1 702 . 19 1 1 A 61 61 GLY C C 61 174.090 174.090 0.000 1
1 703 . 19 1 1 A 61 61 GLY CA C 61 45.654 45.188 0.466 1
1 704 . 19 1 1 A 61 61 GLY N N 61 107.486 107.049 0.437 1
1 705 . 19 1 1 A 62 62 LYS H H 62 8.068 7.247 0.821 1
1 706 . 19 1 1 A 62 62 LYS HA H 62 4.612 4.937 -0.325 1
1 715 . 19 1 1 A 62 62 LYS C C 62 174.023 174.731 -0.708 1
1 716 . 19 1 1 A 62 62 LYS CA C 62 54.147 53.660 0.487 1
1 717 . 19 1 1 A 62 62 LYS CB C 62 32.651 34.317 -1.666 1
1 721 . 19 1 1 A 62 62 LYS N N 62 121.672 116.325 5.347 1
1 722 . 19 1 1 A 63 63 PRO HA H 63 4.692 4.608 0.084 1
1 729 . 19 1 1 A 63 63 PRO CA C 63 61.351 61.635 -0.284 1
1 730 . 19 1 1 A 63 63 PRO CB C 63 30.892 31.602 -0.710 1
1 733 . 19 1 1 A 64 64 PRO HA H 64 4.408 4.607 -0.199 1
1 740 . 19 1 1 A 64 64 PRO C C 64 176.775 176.448 0.327 1
1 741 . 19 1 1 A 64 64 PRO CA C 64 62.926 62.269 0.657 1
1 742 . 19 1 1 A 64 64 PRO CB C 64 32.074 33.327 -1.253 1
1 745 . 19 1 1 A 65 65 GLU H H 65 8.396 8.655 -0.259 1
1 746 . 19 1 1 A 65 65 GLU HA H 65 4.243 4.430 -0.187 1
1 751 . 19 1 1 A 65 65 GLU C C 65 175.888 176.552 -0.664 1
1 752 . 19 1 1 A 65 65 GLU CA C 65 56.083 55.966 0.117 1
1 753 . 19 1 1 A 65 65 GLU CB C 65 30.722 28.265 2.457 1
1 755 . 19 1 1 A 65 65 GLU N N 65 121.093 120.260 0.833 1
1 756 . 19 1 1 A 66 66 ALA H H 66 8.434 8.304 0.130 1
1 757 . 19 1 1 A 66 66 ALA HA H 66 4.583 4.129 0.454 1
1 761 . 19 1 1 A 66 66 ALA C C 66 175.504 175.588 -0.084 1
1 762 . 19 1 1 A 66 66 ALA CA C 66 50.482 56.897 -6.415 1
1 763 . 19 1 1 A 66 66 ALA CB C 66 18.108 17.482 0.626 1
1 764 . 19 1 1 A 66 66 ALA N N 66 127.348 124.354 2.994 1
1 765 . 19 1 1 A 67 67 PRO HA H 67 4.408 4.280 0.128 1
1 772 . 19 1 1 A 67 67 PRO C C 67 177.111 176.920 0.191 1
1 773 . 19 1 1 A 67 67 PRO CA C 67 63.056 66.164 -3.108 1
1 774 . 19 1 1 A 67 67 PRO CB C 67 32.074 30.724 1.350 1
1 777 . 19 1 1 A 68 68 LYS H H 68 8.479 7.710 0.769 1
1 778 . 19 1 1 A 68 68 LYS HA H 68 4.291 4.358 -0.067 1
1 787 . 19 1 1 A 68 68 LYS C C 68 177.292 176.545 0.747 1
1 788 . 19 1 1 A 68 68 LYS CA C 68 56.322 55.982 0.340 1
1 789 . 19 1 1 A 68 68 LYS CB C 68 33.146 30.521 2.625 1
1 793 . 19 1 1 A 68 68 LYS N N 68 121.836 116.823 5.013 1
1 794 . 19 1 1 A 69 69 GLY H H 69 8.387 8.268 0.119 1
1 795 . 19 1 1 A 69 69 GLY HA2 H 69 3.948 4.090 -0.142 1
1 796 . 19 1 1 A 69 69 GLY HA3 H 69 3.948 4.090 -0.142 1
1 797 . 19 1 1 A 69 69 GLY C C 69 173.940 174.941 -1.001 1
1 798 . 19 1 1 A 69 69 GLY CA C 69 45.160 45.531 -0.371 1
1 799 . 19 1 1 A 69 69 GLY N N 69 109.796 109.740 0.056 1
1 800 . 19 1 1 A 70 70 LYS H H 70 8.196 7.933 0.263 1
1 801 . 19 1 1 A 70 70 LYS HA H 70 4.318 4.322 -0.004 1
1 810 . 19 1 1 A 70 70 LYS C C 70 176.642 176.443 0.199 1
1 811 . 19 1 1 A 70 70 LYS CA C 70 56.127 56.206 -0.079 1
1 812 . 19 1 1 A 70 70 LYS CB C 70 33.272 32.593 0.679 1
1 816 . 19 1 1 A 70 70 LYS N N 70 121.044 118.115 2.929 1
1 817 . 19 1 1 A 71 71 LYS H H 71 8.348 8.755 -0.407 1
1 818 . 19 1 1 A 71 71 LYS HA H 71 4.273 5.120 -0.847 1
1 827 . 19 1 1 A 71 71 LYS C C 71 176.548 175.809 0.739 1
1 828 . 19 1 1 A 71 71 LYS CA C 71 56.285 54.952 1.333 1
1 829 . 19 1 1 A 71 71 LYS CB C 71 33.270 35.138 -1.868 1
1 833 . 19 1 1 A 71 71 LYS N N 71 123.152 122.519 0.633 1
1 834 . 19 1 1 A 72 72 LYS H H 72 8.405 8.749 -0.344 1
1 835 . 19 1 1 A 72 72 LYS HA H 72 4.273 5.235 -0.962 1
1 836 . 19 1 1 A 72 72 LYS C C 72 176.499 175.386 1.113 1
1 837 . 19 1 1 A 72 72 LYS CA C 72 56.356 54.644 1.712 1
1 838 . 19 1 1 A 72 72 LYS CB C 72 33.146 35.471 -2.325 1
1 1 . 20 1 1 A 7 7 GLY HA2 H 7 4.042 4.152 -0.110 1
1 2 . 20 1 1 A 7 7 GLY HA3 H 7 4.042 4.152 -0.110 1
1 3 . 20 1 1 A 7 7 GLY C C 7 174.377 173.848 0.529 1
1 4 . 20 1 1 A 7 7 GLY CA C 7 45.425 45.321 0.104 1
1 5 . 20 1 1 A 8 8 THR H H 8 8.131 8.786 -0.655 1
1 6 . 20 1 1 A 8 8 THR HA H 8 4.448 4.267 0.181 1
1 11 . 20 1 1 A 8 8 THR C C 8 174.773 173.887 0.886 1
1 12 . 20 1 1 A 8 8 THR CA C 8 61.787 62.439 -0.652 1
1 13 . 20 1 1 A 8 8 THR CB C 8 69.913 69.551 0.362 1
1 15 . 20 1 1 A 8 8 THR N N 8 113.630 121.600 -7.970 1
1 16 . 20 1 1 A 9 9 THR H H 9 8.180 8.633 -0.453 1
1 17 . 20 1 1 A 9 9 THR HA H 9 4.355 4.663 -0.308 1
1 22 . 20 1 1 A 9 9 THR C C 9 174.203 173.646 0.557 1
1 23 . 20 1 1 A 9 9 THR CA C 9 61.892 62.572 -0.680 1
1 24 . 20 1 1 A 9 9 THR CB C 9 69.891 69.687 0.204 1
1 26 . 20 1 1 A 9 9 THR N N 9 116.604 121.925 -5.321 1
1 27 . 20 1 1 A 10 10 ALA H H 10 8.405 8.482 -0.077 1
1 28 . 20 1 1 A 10 10 ALA HA H 10 4.376 4.719 -0.343 1
1 32 . 20 1 1 A 10 10 ALA C C 10 177.430 177.521 -0.091 1
1 33 . 20 1 1 A 10 10 ALA CA C 10 52.317 52.040 0.277 1
1 34 . 20 1 1 A 10 10 ALA CB C 10 19.506 21.578 -2.072 1
1 35 . 20 1 1 A 10 10 ALA N N 10 126.934 129.911 -2.977 1
1 36 . 20 1 1 A 11 11 LYS H H 11 8.462 8.818 -0.356 1
1 37 . 20 1 1 A 11 11 LYS HA H 11 4.575 4.006 0.569 1
1 46 . 20 1 1 A 11 11 LYS C C 11 174.921 175.509 -0.588 1
1 47 . 20 1 1 A 11 11 LYS CA C 11 55.122 61.224 -6.102 1
1 48 . 20 1 1 A 11 11 LYS CB C 11 31.910 30.892 1.018 1
1 52 . 20 1 1 A 11 11 LYS N N 11 121.526 124.763 -3.237 1
1 53 . 20 1 1 A 12 12 PRO HA H 12 4.363 4.420 -0.057 1
1 60 . 20 1 1 A 12 12 PRO C C 12 178.290 178.732 -0.442 1
1 61 . 20 1 1 A 12 12 PRO CA C 12 64.502 64.656 -0.154 1
1 62 . 20 1 1 A 12 12 PRO CB C 12 31.992 31.441 0.551 1
1 65 . 20 1 1 A 13 13 GLN H H 13 8.665 8.519 0.146 1
1 66 . 20 1 1 A 13 13 GLN HA H 13 4.158 4.346 -0.188 1
1 73 . 20 1 1 A 13 13 GLN C C 13 177.727 177.842 -0.115 1
1 74 . 20 1 1 A 13 13 GLN CA C 13 58.366 57.980 0.386 1
1 75 . 20 1 1 A 13 13 GLN CB C 13 28.584 29.769 -1.185 1
1 77 . 20 1 1 A 13 13 GLN N N 13 119.964 117.800 2.164 1
1 79 . 20 1 1 A 14 14 GLN H H 14 8.376 8.365 0.011 1
1 80 . 20 1 1 A 14 14 GLN HA H 14 4.217 4.116 0.101 1
1 87 . 20 1 1 A 14 14 GLN C C 14 178.304 177.957 0.347 1
1 88 . 20 1 1 A 14 14 GLN CA C 14 58.190 58.370 -0.180 1
1 89 . 20 1 1 A 14 14 GLN CB C 14 28.639 27.995 0.644 1
1 91 . 20 1 1 A 14 14 GLN N N 14 120.039 117.617 2.422 1
1 93 . 20 1 1 A 15 15 ILE H H 15 7.802 7.991 -0.189 1
1 94 . 20 1 1 A 15 15 ILE HA H 15 3.654 3.658 -0.004 1
1 104 . 20 1 1 A 15 15 ILE C C 15 177.183 177.927 -0.744 1
1 105 . 20 1 1 A 15 15 ILE CA C 15 64.643 64.438 0.205 1
1 106 . 20 1 1 A 15 15 ILE CB C 15 37.828 37.926 -0.098 1
1 110 . 20 1 1 A 15 15 ILE N N 15 119.981 121.613 -1.632 1
1 111 . 20 1 1 A 16 16 GLN H H 16 8.159 8.230 -0.071 1
1 112 . 20 1 1 A 16 16 GLN HA H 16 3.958 3.907 0.051 1
1 119 . 20 1 1 A 16 16 GLN C C 16 177.647 177.869 -0.222 1
1 120 . 20 1 1 A 16 16 GLN CA C 16 58.648 59.102 -0.454 1
1 121 . 20 1 1 A 16 16 GLN CB C 16 28.531 28.805 -0.274 1
1 123 . 20 1 1 A 16 16 GLN N N 16 119.695 120.002 -0.307 1
1 125 . 20 1 1 A 17 17 ALA H H 17 7.946 7.295 0.651 1
1 126 . 20 1 1 A 17 17 ALA HA H 17 4.239 4.045 0.194 1
1 130 . 20 1 1 A 17 17 ALA C C 17 180.910 179.992 0.918 1
1 131 . 20 1 1 A 17 17 ALA CA C 17 55.106 55.193 -0.087 1
1 132 . 20 1 1 A 17 17 ALA CB C 17 17.990 18.536 -0.546 1
1 133 . 20 1 1 A 17 17 ALA N N 17 120.227 122.050 -1.823 1
1 134 . 20 1 1 A 18 18 LEU H H 18 7.682 8.649 -0.967 1
1 135 . 20 1 1 A 18 18 LEU HA H 18 4.187 3.877 0.310 1
1 145 . 20 1 1 A 18 18 LEU C C 18 178.977 179.188 -0.211 1
1 146 . 20 1 1 A 18 18 LEU CA C 18 57.890 58.016 -0.126 1
1 147 . 20 1 1 A 18 18 LEU CB C 18 43.361 41.724 1.637 1
1 151 . 20 1 1 A 18 18 LEU N N 18 119.764 118.537 1.227 1
1 152 . 20 1 1 A 19 19 MET H H 19 8.699 8.287 0.412 1
1 153 . 20 1 1 A 19 19 MET HA H 19 3.965 4.015 -0.050 1
1 161 . 20 1 1 A 19 19 MET C C 19 179.207 178.226 0.981 1
1 162 . 20 1 1 A 19 19 MET CA C 19 59.794 58.960 0.834 1
1 163 . 20 1 1 A 19 19 MET CB C 19 32.445 32.534 -0.089 1
1 166 . 20 1 1 A 19 19 MET N N 19 119.982 116.436 3.546 1
1 167 . 20 1 1 A 20 20 ASP H H 20 8.435 7.883 0.552 1
1 168 . 20 1 1 A 20 20 ASP HA H 20 4.453 4.325 0.128 1
1 171 . 20 1 1 A 20 20 ASP C C 20 179.127 178.454 0.673 1
1 172 . 20 1 1 A 20 20 ASP CA C 20 57.449 57.536 -0.087 1
1 173 . 20 1 1 A 20 20 ASP CB C 20 39.986 41.852 -1.866 1
1 174 . 20 1 1 A 20 20 ASP N N 20 120.434 120.689 -0.255 1
1 175 . 20 1 1 A 21 21 GLU H H 21 8.150 7.749 0.401 1
1 176 . 20 1 1 A 21 21 GLU HA H 21 4.168 4.041 0.127 1
1 181 . 20 1 1 A 21 21 GLU C C 21 179.405 179.283 0.122 1
1 182 . 20 1 1 A 21 21 GLU CA C 21 59.477 59.370 0.107 1
1 183 . 20 1 1 A 21 21 GLU CB C 21 29.441 29.602 -0.161 1
1 185 . 20 1 1 A 21 21 GLU N N 21 122.159 118.906 3.253 1
1 186 . 20 1 1 A 22 22 VAL H H 22 8.754 8.067 0.687 1
1 187 . 20 1 1 A 22 22 VAL HA H 22 3.484 3.605 -0.121 1
1 195 . 20 1 1 A 22 22 VAL C C 22 179.177 178.531 0.646 1
1 196 . 20 1 1 A 22 22 VAL CA C 22 67.545 66.502 1.043 1
1 197 . 20 1 1 A 22 22 VAL CB C 22 31.712 31.746 -0.034 1
1 200 . 20 1 1 A 22 22 VAL N N 22 121.967 120.947 1.020 1
1 201 . 20 1 1 A 23 23 THR H H 23 8.410 8.008 0.402 1
1 202 . 20 1 1 A 23 23 THR HA H 23 3.888 3.813 0.075 1
1 207 . 20 1 1 A 23 23 THR C C 23 176.515 176.186 0.329 1
1 208 . 20 1 1 A 23 23 THR CA C 23 66.706 66.819 -0.113 1
1 209 . 20 1 1 A 23 23 THR CB C 23 68.646 68.707 -0.061 1
1 211 . 20 1 1 A 23 23 THR N N 23 119.619 116.493 3.126 1
1 212 . 20 1 1 A 24 24 LYS H H 24 8.179 8.174 0.005 1
1 213 . 20 1 1 A 24 24 LYS HA H 24 4.055 3.852 0.203 1
1 219 . 20 1 1 A 24 24 LYS C C 24 179.223 178.328 0.895 1
1 220 . 20 1 1 A 24 24 LYS CA C 24 59.865 59.752 0.113 1
1 221 . 20 1 1 A 24 24 LYS CB C 24 32.733 32.509 0.224 1
1 225 . 20 1 1 A 24 24 LYS N N 24 122.464 121.290 1.174 1
1 226 . 20 1 1 A 25 25 GLN H H 25 8.791 8.083 0.708 1
1 227 . 20 1 1 A 25 25 GLN HA H 25 4.266 4.004 0.262 1
1 234 . 20 1 1 A 25 25 GLN C C 25 178.359 178.885 -0.526 1
1 235 . 20 1 1 A 25 25 GLN CA C 25 57.273 59.448 -2.175 1
1 236 . 20 1 1 A 25 25 GLN CB C 25 26.830 28.430 -1.600 1
1 238 . 20 1 1 A 25 25 GLN N N 25 120.181 118.453 1.728 1
1 240 . 20 1 1 A 26 26 GLY H H 26 8.828 8.527 0.301 1
1 241 . 20 1 1 A 26 26 GLY HA2 H 26 4.099 3.833 0.266 1
1 242 . 20 1 1 A 26 26 GLY HA3 H 26 3.788 3.833 -0.045 1
1 243 . 20 1 1 A 26 26 GLY C C 26 176.618 176.631 -0.013 1
1 244 . 20 1 1 A 26 26 GLY CA C 26 47.161 47.278 -0.117 1
1 245 . 20 1 1 A 26 26 GLY N N 26 108.597 107.889 0.708 1
1 246 . 20 1 1 A 27 27 ASN H H 27 7.910 7.894 0.016 1
1 247 . 20 1 1 A 27 27 ASN HA H 27 4.582 4.517 0.065 1
1 252 . 20 1 1 A 27 27 ASN C C 27 177.317 177.888 -0.571 1
1 253 . 20 1 1 A 27 27 ASN CA C 27 56.074 55.733 0.341 1
1 254 . 20 1 1 A 27 27 ASN CB C 27 37.729 38.509 -0.780 1
1 255 . 20 1 1 A 27 27 ASN N N 27 121.818 120.047 1.771 1
1 257 . 20 1 1 A 28 28 ILE H H 28 7.811 8.348 -0.537 1
1 258 . 20 1 1 A 28 28 ILE HA H 28 3.789 3.762 0.027 1
1 268 . 20 1 1 A 28 28 ILE C C 28 178.445 178.684 -0.239 1
1 269 . 20 1 1 A 28 28 ILE CA C 28 65.117 65.160 -0.043 1
1 270 . 20 1 1 A 28 28 ILE CB C 28 37.914 37.599 0.315 1
1 274 . 20 1 1 A 28 28 ILE N N 28 123.083 120.126 2.957 1
1 275 . 20 1 1 A 29 29 VAL H H 29 8.018 8.411 -0.393 1
1 276 . 20 1 1 A 29 29 VAL HA H 29 3.399 3.630 -0.231 1
1 284 . 20 1 1 A 29 29 VAL C C 29 176.953 178.367 -1.414 1
1 285 . 20 1 1 A 29 29 VAL CA C 29 67.541 66.840 0.701 1
1 286 . 20 1 1 A 29 29 VAL CB C 29 32.013 31.547 0.466 1
1 289 . 20 1 1 A 29 29 VAL N N 29 119.117 121.417 -2.300 1
1 290 . 20 1 1 A 30 30 ARG H H 30 7.965 7.931 0.034 1
1 291 . 20 1 1 A 30 30 ARG HA H 30 3.928 3.943 -0.015 1
1 298 . 20 1 1 A 30 30 ARG C C 30 179.609 178.157 1.452 1
1 299 . 20 1 1 A 30 30 ARG CA C 30 60.006 59.833 0.173 1
1 300 . 20 1 1 A 30 30 ARG CB C 30 30.302 29.794 0.508 1
1 303 . 20 1 1 A 30 30 ARG N N 30 118.510 119.883 -1.373 1
1 304 . 20 1 1 A 31 31 GLU H H 31 8.211 8.434 -0.223 1
1 305 . 20 1 1 A 31 31 GLU HA H 31 4.167 4.105 0.062 1
1 310 . 20 1 1 A 31 31 GLU C C 31 178.910 179.115 -0.205 1
1 311 . 20 1 1 A 31 31 GLU CA C 31 59.195 59.071 0.124 1
1 312 . 20 1 1 A 31 31 GLU CB C 31 29.437 29.282 0.155 1
1 314 . 20 1 1 A 31 31 GLU N N 31 120.110 117.479 2.631 1
1 315 . 20 1 1 A 32 32 LEU H H 32 8.287 8.212 0.075 1
1 316 . 20 1 1 A 32 32 LEU HA H 32 4.021 3.883 0.138 1
1 326 . 20 1 1 A 32 32 LEU C C 32 179.931 179.356 0.575 1
1 327 . 20 1 1 A 32 32 LEU CA C 32 57.979 57.673 0.306 1
1 328 . 20 1 1 A 32 32 LEU CB C 32 42.524 41.663 0.861 1
1 332 . 20 1 1 A 32 32 LEU N N 32 120.148 121.383 -1.235 1
1 333 . 20 1 1 A 33 33 LYS H H 33 8.205 7.672 0.533 1
1 334 . 20 1 1 A 33 33 LYS HA H 33 4.048 4.118 -0.070 1
1 343 . 20 1 1 A 33 33 LYS C C 33 180.739 179.356 1.383 1
1 344 . 20 1 1 A 33 33 LYS CA C 33 59.883 59.460 0.423 1
1 345 . 20 1 1 A 33 33 LYS CB C 33 32.569 32.257 0.312 1
1 349 . 20 1 1 A 33 33 LYS N N 33 117.234 117.848 -0.614 1
1 350 . 20 1 1 A 34 34 ALA H H 34 8.101 8.043 0.058 1
1 351 . 20 1 1 A 34 34 ALA HA H 34 4.185 4.113 0.072 1
1 355 . 20 1 1 A 34 34 ALA C C 34 179.304 178.831 0.473 1
1 356 . 20 1 1 A 34 34 ALA CA C 34 54.734 54.837 -0.103 1
1 357 . 20 1 1 A 34 34 ALA CB C 34 18.190 18.817 -0.627 1
1 358 . 20 1 1 A 34 34 ALA N N 34 123.540 121.749 1.791 1
1 359 . 20 1 1 A 35 35 GLN H H 35 7.815 7.945 -0.130 1
1 360 . 20 1 1 A 35 35 GLN HA H 35 4.299 4.217 0.082 1
1 367 . 20 1 1 A 35 35 GLN C C 35 175.344 175.495 -0.151 1
1 368 . 20 1 1 A 35 35 GLN CA C 35 55.342 54.786 0.556 1
1 369 . 20 1 1 A 35 35 GLN CB C 35 28.819 27.454 1.365 1
1 371 . 20 1 1 A 35 35 GLN N N 35 115.126 112.822 2.304 1
1 373 . 20 1 1 A 36 36 LYS H H 36 7.948 7.861 0.087 1
1 374 . 20 1 1 A 36 36 LYS HA H 36 3.963 3.795 0.168 1
1 382 . 20 1 1 A 36 36 LYS C C 36 175.883 175.763 0.120 1
1 383 . 20 1 1 A 36 36 LYS CA C 36 56.872 57.172 -0.300 1
1 384 . 20 1 1 A 36 36 LYS CB C 36 28.917 29.793 -0.876 1
1 388 . 20 1 1 A 36 36 LYS N N 36 117.310 114.770 2.540 1
1 389 . 20 1 1 A 37 37 ALA H H 37 7.646 7.650 -0.004 1
1 390 . 20 1 1 A 37 37 ALA HA H 37 4.226 4.269 -0.043 1
1 394 . 20 1 1 A 37 37 ALA C C 37 176.094 176.255 -0.161 1
1 395 . 20 1 1 A 37 37 ALA CA C 37 52.143 52.302 -0.159 1
1 396 . 20 1 1 A 37 37 ALA CB C 37 20.742 19.864 0.878 1
1 397 . 20 1 1 A 37 37 ALA N N 37 120.112 119.226 0.886 1
1 398 . 20 1 1 A 38 38 ASP H H 38 8.474 8.387 0.087 1
1 399 . 20 1 1 A 38 38 ASP HA H 38 4.387 4.497 -0.110 1
1 402 . 20 1 1 A 38 38 ASP C C 38 177.481 177.522 -0.041 1
1 403 . 20 1 1 A 38 38 ASP CA C 38 54.992 54.378 0.614 1
1 404 . 20 1 1 A 38 38 ASP CB C 38 43.156 42.446 0.710 1
1 405 . 20 1 1 A 38 38 ASP N N 38 119.141 120.463 -1.322 1
1 406 . 20 1 1 A 39 39 LYS H H 39 8.703 8.545 0.158 1
1 407 . 20 1 1 A 39 39 LYS HA H 39 3.967 3.957 0.010 1
1 414 . 20 1 1 A 39 39 LYS C C 39 178.806 178.619 0.187 1
1 415 . 20 1 1 A 39 39 LYS CA C 39 59.547 60.211 -0.664 1
1 416 . 20 1 1 A 39 39 LYS CB C 39 32.222 32.320 -0.098 1
1 420 . 20 1 1 A 39 39 LYS N N 39 124.290 126.269 -1.979 1
1 421 . 20 1 1 A 40 40 ASN H H 40 8.873 8.186 0.687 1
1 422 . 20 1 1 A 40 40 ASN HA H 40 4.571 4.376 0.195 1
1 427 . 20 1 1 A 40 40 ASN C C 40 178.014 177.687 0.327 1
1 428 . 20 1 1 A 40 40 ASN CA C 40 56.091 56.619 -0.528 1
1 429 . 20 1 1 A 40 40 ASN CB C 40 37.900 39.432 -1.532 1
1 430 . 20 1 1 A 40 40 ASN N N 40 119.722 117.727 1.995 1
1 432 . 20 1 1 A 41 41 GLU H H 41 7.881 7.737 0.144 1
1 433 . 20 1 1 A 41 41 GLU HA H 41 4.192 4.007 0.185 1
1 438 . 20 1 1 A 41 41 GLU C C 41 178.917 179.440 -0.523 1
1 439 . 20 1 1 A 41 41 GLU CA C 41 59.213 59.535 -0.322 1
1 440 . 20 1 1 A 41 41 GLU CB C 41 29.520 29.288 0.232 1
1 442 . 20 1 1 A 41 41 GLU N N 41 124.025 118.466 5.559 1
1 443 . 20 1 1 A 42 42 VAL H H 42 8.061 8.252 -0.191 1
1 444 . 20 1 1 A 42 42 VAL HA H 42 3.397 3.573 -0.176 1
1 452 . 20 1 1 A 42 42 VAL C C 42 177.701 177.922 -0.221 1
1 453 . 20 1 1 A 42 42 VAL CA C 42 67.341 66.600 0.741 1
1 454 . 20 1 1 A 42 42 VAL CB C 42 32.075 31.473 0.602 1
1 457 . 20 1 1 A 42 42 VAL N N 42 117.921 120.398 -2.477 1
1 458 . 20 1 1 A 43 43 ALA H H 43 8.136 8.610 -0.474 1
1 459 . 20 1 1 A 43 43 ALA HA H 43 4.101 4.010 0.091 1
1 463 . 20 1 1 A 43 43 ALA C C 43 180.808 179.386 1.422 1
1 464 . 20 1 1 A 43 43 ALA CA C 43 55.404 55.596 -0.192 1
1 465 . 20 1 1 A 43 43 ALA CB C 43 17.722 18.707 -0.985 1
1 466 . 20 1 1 A 43 43 ALA N N 43 119.833 121.764 -1.931 1
1 467 . 20 1 1 A 44 44 ALA H H 44 7.664 7.977 -0.313 1
1 468 . 20 1 1 A 44 44 ALA HA H 44 4.234 4.028 0.206 1
1 472 . 20 1 1 A 44 44 ALA C C 44 180.953 180.386 0.567 1
1 473 . 20 1 1 A 44 44 ALA CA C 44 55.122 55.441 -0.319 1
1 474 . 20 1 1 A 44 44 ALA CB C 44 18.229 18.590 -0.361 1
1 475 . 20 1 1 A 44 44 ALA N N 44 121.026 119.844 1.182 1
1 476 . 20 1 1 A 45 45 GLU H H 45 7.837 7.781 0.056 1
1 477 . 20 1 1 A 45 45 GLU HA H 45 4.447 4.018 0.429 1
1 482 . 20 1 1 A 45 45 GLU C C 45 180.357 179.355 1.002 1
1 483 . 20 1 1 A 45 45 GLU CA C 45 57.467 59.521 -2.054 1
1 484 . 20 1 1 A 45 45 GLU CB C 45 28.255 29.277 -1.022 1
1 486 . 20 1 1 A 45 45 GLU N N 45 118.409 118.163 0.246 1
1 487 . 20 1 1 A 46 46 VAL H H 46 9.024 7.852 1.172 1
1 488 . 20 1 1 A 46 46 VAL HA H 46 3.638 3.697 -0.059 1
1 496 . 20 1 1 A 46 46 VAL C C 46 177.712 177.904 -0.192 1
1 497 . 20 1 1 A 46 46 VAL CA C 46 66.961 66.088 0.873 1
1 498 . 20 1 1 A 46 46 VAL CB C 46 31.910 31.513 0.397 1
1 501 . 20 1 1 A 46 46 VAL N N 46 124.975 121.892 3.083 1
1 502 . 20 1 1 A 47 47 ALA H H 47 8.130 8.548 -0.418 1
1 503 . 20 1 1 A 47 47 ALA HA H 47 4.093 3.963 0.130 1
1 507 . 20 1 1 A 47 47 ALA C C 47 180.853 179.441 1.412 1
1 508 . 20 1 1 A 47 47 ALA CA C 47 55.545 55.690 -0.145 1
1 509 . 20 1 1 A 47 47 ALA CB C 47 17.683 18.123 -0.440 1
1 510 . 20 1 1 A 47 47 ALA N N 47 122.493 122.138 0.355 1
1 511 . 20 1 1 A 48 48 LYS H H 48 7.442 8.193 -0.751 1
1 512 . 20 1 1 A 48 48 LYS HA H 48 4.183 4.100 0.083 1
1 521 . 20 1 1 A 48 48 LYS C C 48 178.698 178.828 -0.130 1
1 522 . 20 1 1 A 48 48 LYS CA C 48 59.389 59.120 0.269 1
1 523 . 20 1 1 A 48 48 LYS CB C 48 32.610 32.130 0.480 1
1 527 . 20 1 1 A 48 48 LYS N N 48 118.186 116.702 1.484 1
1 528 . 20 1 1 A 49 49 LEU H H 49 7.822 8.077 -0.255 1
1 529 . 20 1 1 A 49 49 LEU HA H 49 4.012 4.007 0.005 1
1 539 . 20 1 1 A 49 49 LEU C C 49 177.582 178.590 -1.008 1
1 540 . 20 1 1 A 49 49 LEU CA C 49 58.490 58.297 0.193 1
1 541 . 20 1 1 A 49 49 LEU CB C 49 42.119 41.743 0.376 1
1 545 . 20 1 1 A 49 49 LEU N N 49 120.499 121.210 -0.711 1
1 546 . 20 1 1 A 50 50 LEU H H 50 8.565 8.026 0.539 1
1 547 . 20 1 1 A 50 50 LEU HA H 50 3.994 3.900 0.094 1
1 557 . 20 1 1 A 50 50 LEU C C 50 180.128 179.124 1.004 1
1 558 . 20 1 1 A 50 50 LEU CA C 50 58.330 57.849 0.481 1
1 559 . 20 1 1 A 50 50 LEU CB C 50 41.060 41.610 -0.550 1
1 563 . 20 1 1 A 50 50 LEU N N 50 118.622 119.345 -0.723 1
1 564 . 20 1 1 A 51 51 ASP H H 51 7.962 7.638 0.324 1
1 565 . 20 1 1 A 51 51 ASP HA H 51 4.480 4.402 0.078 1
1 568 . 20 1 1 A 51 51 ASP C C 51 178.808 178.802 0.006 1
1 569 . 20 1 1 A 51 51 ASP CA C 51 57.802 56.986 0.816 1
1 570 . 20 1 1 A 51 51 ASP CB C 51 41.435 40.865 0.570 1
1 571 . 20 1 1 A 51 51 ASP N N 51 120.483 120.145 0.338 1
1 572 . 20 1 1 A 52 52 LEU H H 52 8.228 8.165 0.063 1
1 573 . 20 1 1 A 52 52 LEU HA H 52 4.006 3.866 0.140 1
1 583 . 20 1 1 A 52 52 LEU C C 52 179.173 179.149 0.024 1
1 584 . 20 1 1 A 52 52 LEU CA C 52 58.190 58.076 0.114 1
1 585 . 20 1 1 A 52 52 LEU CB C 52 43.222 41.446 1.776 1
1 589 . 20 1 1 A 52 52 LEU N N 52 121.105 120.539 0.566 1
1 590 . 20 1 1 A 53 53 LYS H H 53 8.531 7.986 0.545 1
1 591 . 20 1 1 A 53 53 LYS HA H 53 3.872 3.885 -0.013 1
1 600 . 20 1 1 A 53 53 LYS C C 53 179.984 179.069 0.915 1
1 601 . 20 1 1 A 53 53 LYS CA C 53 60.699 60.306 0.393 1
1 602 . 20 1 1 A 53 53 LYS CB C 53 32.239 32.505 -0.266 1
1 606 . 20 1 1 A 53 53 LYS N N 53 118.013 116.955 1.058 1
1 607 . 20 1 1 A 54 54 LYS H H 54 8.090 7.942 0.148 1
1 608 . 20 1 1 A 54 54 LYS HA H 54 4.165 4.091 0.074 1
1 616 . 20 1 1 A 54 54 LYS C C 54 178.638 179.083 -0.445 1
1 617 . 20 1 1 A 54 54 LYS CA C 54 59.847 59.633 0.214 1
1 618 . 20 1 1 A 54 54 LYS CB C 54 32.116 32.435 -0.319 1
1 622 . 20 1 1 A 54 54 LYS N N 54 122.616 120.122 2.494 1
1 623 . 20 1 1 A 55 55 GLN H H 55 8.214 7.952 0.262 1
1 624 . 20 1 1 A 55 55 GLN HA H 55 3.976 4.023 -0.047 1
1 631 . 20 1 1 A 55 55 GLN C C 55 179.696 177.976 1.720 1
1 632 . 20 1 1 A 55 55 GLN CA C 55 59.177 58.594 0.583 1
1 633 . 20 1 1 A 55 55 GLN CB C 55 29.400 28.355 1.045 1
1 635 . 20 1 1 A 55 55 GLN N N 55 119.132 119.052 0.080 1
1 637 . 20 1 1 A 56 56 LEU H H 56 8.506 7.677 0.829 1
1 638 . 20 1 1 A 56 56 LEU HA H 56 4.116 4.160 -0.044 1
1 648 . 20 1 1 A 56 56 LEU C C 56 176.782 178.072 -1.290 1
1 649 . 20 1 1 A 56 56 LEU CA C 56 57.925 57.807 0.118 1
1 650 . 20 1 1 A 56 56 LEU CB C 56 41.465 42.039 -0.574 1
1 654 . 20 1 1 A 56 56 LEU N N 56 122.033 121.645 0.388 1
1 655 . 20 1 1 A 57 57 ALA H H 57 7.896 8.441 -0.545 1
1 656 . 20 1 1 A 57 57 ALA HA H 57 4.232 4.063 0.169 1
1 660 . 20 1 1 A 57 57 ALA C C 57 180.928 179.837 1.091 1
1 661 . 20 1 1 A 57 57 ALA CA C 57 55.246 55.421 -0.175 1
1 662 . 20 1 1 A 57 57 ALA CB C 57 17.776 18.555 -0.779 1
1 663 . 20 1 1 A 57 57 ALA N N 57 121.379 120.854 0.525 1
1 664 . 20 1 1 A 58 58 VAL H H 58 7.973 8.599 -0.626 1
1 665 . 20 1 1 A 58 58 VAL HA H 58 3.761 3.563 0.198 1
1 673 . 20 1 1 A 58 58 VAL C C 58 179.410 177.794 1.616 1
1 674 . 20 1 1 A 58 58 VAL CA C 58 65.807 66.758 -0.951 1
1 675 . 20 1 1 A 58 58 VAL CB C 58 31.978 31.595 0.383 1
1 678 . 20 1 1 A 58 58 VAL N N 58 117.592 118.536 -0.944 1
1 679 . 20 1 1 A 59 59 ALA H H 59 8.024 8.321 -0.297 1
1 680 . 20 1 1 A 59 59 ALA HA H 59 4.133 4.036 0.097 1
1 684 . 20 1 1 A 59 59 ALA C C 59 179.359 180.029 -0.670 1
1 685 . 20 1 1 A 59 59 ALA CA C 59 54.805 55.650 -0.845 1
1 686 . 20 1 1 A 59 59 ALA CB C 59 18.513 18.616 -0.103 1
1 687 . 20 1 1 A 59 59 ALA N N 59 124.023 121.917 2.106 1
1 688 . 20 1 1 A 60 60 GLU H H 60 8.334 7.755 0.579 1
1 689 . 20 1 1 A 60 60 GLU HA H 60 4.143 4.103 0.040 1
1 694 . 20 1 1 A 60 60 GLU C C 60 177.391 176.502 0.889 1
1 695 . 20 1 1 A 60 60 GLU CA C 60 57.915 58.500 -0.585 1
1 696 . 20 1 1 A 60 60 GLU CB C 60 30.962 30.187 0.775 1
1 698 . 20 1 1 A 60 60 GLU N N 60 115.335 116.841 -1.506 1
1 699 . 20 1 1 A 61 61 GLY H H 61 7.845 7.739 0.106 1
1 700 . 20 1 1 A 61 61 GLY HA2 H 61 3.958 4.040 -0.082 1
1 701 . 20 1 1 A 61 61 GLY HA3 H 61 3.958 4.040 -0.082 1
1 702 . 20 1 1 A 61 61 GLY C C 61 174.090 174.840 -0.750 1
1 703 . 20 1 1 A 61 61 GLY CA C 61 45.654 45.468 0.186 1
1 704 . 20 1 1 A 61 61 GLY N N 61 107.486 107.050 0.436 1
1 705 . 20 1 1 A 62 62 LYS H H 62 8.068 7.792 0.276 1
1 706 . 20 1 1 A 62 62 LYS HA H 62 4.612 4.330 0.282 1
1 715 . 20 1 1 A 62 62 LYS C C 62 174.023 174.414 -0.391 1
1 716 . 20 1 1 A 62 62 LYS CA C 62 54.147 54.965 -0.818 1
1 717 . 20 1 1 A 62 62 LYS CB C 62 32.651 31.980 0.671 1
1 721 . 20 1 1 A 62 62 LYS N N 62 121.672 121.281 0.391 1
1 722 . 20 1 1 A 63 63 PRO HA H 63 4.692 4.645 0.047 1
1 729 . 20 1 1 A 63 63 PRO CA C 63 61.351 61.650 -0.299 1
1 730 . 20 1 1 A 63 63 PRO CB C 63 30.892 31.594 -0.702 1
1 733 . 20 1 1 A 64 64 PRO HA H 64 4.408 4.528 -0.120 1
1 740 . 20 1 1 A 64 64 PRO C C 64 176.775 177.228 -0.453 1
1 741 . 20 1 1 A 64 64 PRO CA C 64 62.926 62.367 0.559 1
1 742 . 20 1 1 A 64 64 PRO CB C 64 32.074 33.104 -1.030 1
1 745 . 20 1 1 A 65 65 GLU H H 65 8.396 9.099 -0.703 1
1 746 . 20 1 1 A 65 65 GLU HA H 65 4.243 4.014 0.229 1
1 751 . 20 1 1 A 65 65 GLU C C 65 175.888 176.126 -0.238 1
1 752 . 20 1 1 A 65 65 GLU CA C 65 56.083 59.583 -3.500 1
1 753 . 20 1 1 A 65 65 GLU CB C 65 30.722 29.616 1.106 1
1 755 . 20 1 1 A 65 65 GLU N N 65 121.093 121.751 -0.658 1
1 756 . 20 1 1 A 66 66 ALA H H 66 8.434 7.885 0.549 1
1 757 . 20 1 1 A 66 66 ALA HA H 66 4.583 3.910 0.673 1
1 761 . 20 1 1 A 66 66 ALA C C 66 175.504 176.107 -0.603 1
1 762 . 20 1 1 A 66 66 ALA CA C 66 50.482 52.815 -2.333 1
1 763 . 20 1 1 A 66 66 ALA CB C 66 18.108 17.296 0.812 1
1 764 . 20 1 1 A 66 66 ALA N N 66 127.348 121.506 5.842 1
1 765 . 20 1 1 A 67 67 PRO HA H 67 4.408 4.585 -0.177 1
1 772 . 20 1 1 A 67 67 PRO C C 67 177.111 176.353 0.758 1
1 773 . 20 1 1 A 67 67 PRO CA C 67 63.056 62.535 0.521 1
1 774 . 20 1 1 A 67 67 PRO CB C 67 32.074 30.349 1.725 1
1 777 . 20 1 1 A 68 68 LYS H H 68 8.479 8.236 0.243 1
1 778 . 20 1 1 A 68 68 LYS HA H 68 4.291 4.046 0.245 1
1 787 . 20 1 1 A 68 68 LYS C C 68 177.292 176.062 1.230 1
1 788 . 20 1 1 A 68 68 LYS CA C 68 56.322 58.284 -1.962 1
1 789 . 20 1 1 A 68 68 LYS CB C 68 33.146 32.565 0.581 1
1 793 . 20 1 1 A 68 68 LYS N N 68 121.836 123.127 -1.291 1
1 794 . 20 1 1 A 69 69 GLY H H 69 8.387 8.403 -0.016 1
1 795 . 20 1 1 A 69 69 GLY HA2 H 69 3.948 4.223 -0.275 1
1 796 . 20 1 1 A 69 69 GLY HA3 H 69 3.948 4.223 -0.275 1
1 797 . 20 1 1 A 69 69 GLY C C 69 173.940 171.229 2.711 1
1 798 . 20 1 1 A 69 69 GLY CA C 69 45.160 46.230 -1.070 1
1 799 . 20 1 1 A 69 69 GLY N N 69 109.796 112.133 -2.337 1
1 800 . 20 1 1 A 70 70 LYS H H 70 8.196 8.690 -0.494 1
1 801 . 20 1 1 A 70 70 LYS HA H 70 4.318 4.981 -0.663 1
1 810 . 20 1 1 A 70 70 LYS C C 70 176.642 175.173 1.469 1
1 811 . 20 1 1 A 70 70 LYS CA C 70 56.127 54.714 1.413 1
1 812 . 20 1 1 A 70 70 LYS CB C 70 33.272 35.856 -2.584 1
1 816 . 20 1 1 A 70 70 LYS N N 70 121.044 124.991 -3.947 1
1 817 . 20 1 1 A 71 71 LYS H H 71 8.348 8.437 -0.089 1
1 818 . 20 1 1 A 71 71 LYS HA H 71 4.273 4.444 -0.171 1
1 827 . 20 1 1 A 71 71 LYS C C 71 176.548 176.411 0.137 1
1 828 . 20 1 1 A 71 71 LYS CA C 71 56.285 56.173 0.112 1
1 829 . 20 1 1 A 71 71 LYS CB C 71 33.270 33.084 0.186 1
1 833 . 20 1 1 A 71 71 LYS N N 71 123.152 127.968 -4.816 1
1 834 . 20 1 1 A 72 72 LYS H H 72 8.405 8.404 0.001 1
1 835 . 20 1 1 A 72 72 LYS HA H 72 4.273 4.638 -0.365 1
1 836 . 20 1 1 A 72 72 LYS C C 72 176.499 176.098 0.401 1
1 837 . 20 1 1 A 72 72 LYS CA C 72 56.356 55.117 1.239 1
1 838 . 20 1 1 A 72 72 LYS CB C 72 33.146 33.812 -0.666 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 65 0.840 1
2 1 1 1 "RMS(OBS, PRED)" CA 66 1.449 1
3 1 1 1 "RMS(OBS, PRED)" CB 62 0.974 1
4 1 1 1 "RMS(OBS, PRED)" H 61 0.408 1
5 1 1 1 "RMS(OBS, PRED)" HA 70 0.216 1
6 1 1 1 "RMS(OBS, PRED)" N 60 2.306 1
7 1 2 1 "RMS(OBS, PRED)" C 65 0.875 1
8 1 2 1 "RMS(OBS, PRED)" CA 66 1.481 1
9 1 2 1 "RMS(OBS, PRED)" CB 62 0.976 1
10 1 2 1 "RMS(OBS, PRED)" H 61 0.422 1
11 1 2 1 "RMS(OBS, PRED)" HA 70 0.250 1
12 1 2 1 "RMS(OBS, PRED)" N 60 2.598 1
13 1 3 1 "RMS(OBS, PRED)" C 65 0.814 1
14 1 3 1 "RMS(OBS, PRED)" CA 66 1.402 1
15 1 3 1 "RMS(OBS, PRED)" CB 62 1.050 1
16 1 3 1 "RMS(OBS, PRED)" H 61 0.430 1
17 1 3 1 "RMS(OBS, PRED)" HA 70 0.206 1
18 1 3 1 "RMS(OBS, PRED)" N 60 2.290 1
19 1 4 1 "RMS(OBS, PRED)" C 65 0.815 1
20 1 4 1 "RMS(OBS, PRED)" CA 66 1.382 1
21 1 4 1 "RMS(OBS, PRED)" CB 62 1.002 1
22 1 4 1 "RMS(OBS, PRED)" H 61 0.392 1
23 1 4 1 "RMS(OBS, PRED)" HA 70 0.193 1
24 1 4 1 "RMS(OBS, PRED)" N 60 2.339 1
25 1 5 1 "RMS(OBS, PRED)" C 65 0.788 1
26 1 5 1 "RMS(OBS, PRED)" CA 66 1.263 1
27 1 5 1 "RMS(OBS, PRED)" CB 62 0.870 1
28 1 5 1 "RMS(OBS, PRED)" H 61 0.423 1
29 1 5 1 "RMS(OBS, PRED)" HA 70 0.207 1
30 1 5 1 "RMS(OBS, PRED)" N 60 2.076 1
31 1 6 1 "RMS(OBS, PRED)" C 65 0.846 1
32 1 6 1 "RMS(OBS, PRED)" CA 66 1.183 1
33 1 6 1 "RMS(OBS, PRED)" CB 62 0.961 1
34 1 6 1 "RMS(OBS, PRED)" H 61 0.419 1
35 1 6 1 "RMS(OBS, PRED)" HA 70 0.221 1
36 1 6 1 "RMS(OBS, PRED)" N 60 2.232 1
37 1 7 1 "RMS(OBS, PRED)" C 65 0.824 1
38 1 7 1 "RMS(OBS, PRED)" CA 66 1.175 1
39 1 7 1 "RMS(OBS, PRED)" CB 62 0.882 1
40 1 7 1 "RMS(OBS, PRED)" H 61 0.452 1
41 1 7 1 "RMS(OBS, PRED)" HA 70 0.202 1
42 1 7 1 "RMS(OBS, PRED)" N 60 2.523 1
43 1 8 1 "RMS(OBS, PRED)" C 65 0.852 1
44 1 8 1 "RMS(OBS, PRED)" CA 66 1.302 1
45 1 8 1 "RMS(OBS, PRED)" CB 62 0.957 1
46 1 8 1 "RMS(OBS, PRED)" H 61 0.383 1
47 1 8 1 "RMS(OBS, PRED)" HA 70 0.191 1
48 1 8 1 "RMS(OBS, PRED)" N 60 2.176 1
49 1 9 1 "RMS(OBS, PRED)" C 65 0.857 1
50 1 9 1 "RMS(OBS, PRED)" CA 66 1.512 1
51 1 9 1 "RMS(OBS, PRED)" CB 62 0.988 1
52 1 9 1 "RMS(OBS, PRED)" H 61 0.421 1
53 1 9 1 "RMS(OBS, PRED)" HA 70 0.205 1
54 1 9 1 "RMS(OBS, PRED)" N 60 2.355 1
55 1 10 1 "RMS(OBS, PRED)" C 65 0.888 1
56 1 10 1 "RMS(OBS, PRED)" CA 66 1.216 1
57 1 10 1 "RMS(OBS, PRED)" CB 62 1.091 1
58 1 10 1 "RMS(OBS, PRED)" H 61 0.426 1
59 1 10 1 "RMS(OBS, PRED)" HA 70 0.219 1
60 1 10 1 "RMS(OBS, PRED)" N 60 2.418 1
61 1 11 1 "RMS(OBS, PRED)" C 65 0.859 1
62 1 11 1 "RMS(OBS, PRED)" CA 66 1.184 1
63 1 11 1 "RMS(OBS, PRED)" CB 62 0.966 1
64 1 11 1 "RMS(OBS, PRED)" H 61 0.400 1
65 1 11 1 "RMS(OBS, PRED)" HA 70 0.255 1
66 1 11 1 "RMS(OBS, PRED)" N 60 2.265 1
67 1 12 1 "RMS(OBS, PRED)" C 65 0.874 1
68 1 12 1 "RMS(OBS, PRED)" CA 66 1.249 1
69 1 12 1 "RMS(OBS, PRED)" CB 62 0.873 1
70 1 12 1 "RMS(OBS, PRED)" H 61 0.378 1
71 1 12 1 "RMS(OBS, PRED)" HA 70 0.219 1
72 1 12 1 "RMS(OBS, PRED)" N 60 2.238 1
73 1 13 1 "RMS(OBS, PRED)" C 65 0.824 1
74 1 13 1 "RMS(OBS, PRED)" CA 66 1.361 1
75 1 13 1 "RMS(OBS, PRED)" CB 62 1.107 1
76 1 13 1 "RMS(OBS, PRED)" H 61 0.416 1
77 1 13 1 "RMS(OBS, PRED)" HA 70 0.230 1
78 1 13 1 "RMS(OBS, PRED)" N 60 2.483 1
79 1 14 1 "RMS(OBS, PRED)" C 65 0.953 1
80 1 14 1 "RMS(OBS, PRED)" CA 66 1.413 1
81 1 14 1 "RMS(OBS, PRED)" CB 62 1.032 1
82 1 14 1 "RMS(OBS, PRED)" H 61 0.482 1
83 1 14 1 "RMS(OBS, PRED)" HA 70 0.211 1
84 1 14 1 "RMS(OBS, PRED)" N 60 2.443 1
85 1 15 1 "RMS(OBS, PRED)" C 65 0.768 1
86 1 15 1 "RMS(OBS, PRED)" CA 66 1.240 1
87 1 15 1 "RMS(OBS, PRED)" CB 62 0.952 1
88 1 15 1 "RMS(OBS, PRED)" H 61 0.429 1
89 1 15 1 "RMS(OBS, PRED)" HA 70 0.235 1
90 1 15 1 "RMS(OBS, PRED)" N 60 2.082 1
91 1 16 1 "RMS(OBS, PRED)" C 65 0.815 1
92 1 16 1 "RMS(OBS, PRED)" CA 66 1.043 1
93 1 16 1 "RMS(OBS, PRED)" CB 62 0.898 1
94 1 16 1 "RMS(OBS, PRED)" H 61 0.371 1
95 1 16 1 "RMS(OBS, PRED)" HA 70 0.206 1
96 1 16 1 "RMS(OBS, PRED)" N 60 2.147 1
97 1 17 1 "RMS(OBS, PRED)" C 65 0.887 1
98 1 17 1 "RMS(OBS, PRED)" CA 66 1.118 1
99 1 17 1 "RMS(OBS, PRED)" CB 62 0.990 1
100 1 17 1 "RMS(OBS, PRED)" H 61 0.398 1
101 1 17 1 "RMS(OBS, PRED)" HA 70 0.218 1
102 1 17 1 "RMS(OBS, PRED)" N 60 2.326 1
103 1 18 1 "RMS(OBS, PRED)" C 65 0.828 1
104 1 18 1 "RMS(OBS, PRED)" CA 66 1.073 1
105 1 18 1 "RMS(OBS, PRED)" CB 62 0.962 1
106 1 18 1 "RMS(OBS, PRED)" H 61 0.408 1
107 1 18 1 "RMS(OBS, PRED)" HA 70 0.212 1
108 1 18 1 "RMS(OBS, PRED)" N 60 2.038 1
109 1 19 1 "RMS(OBS, PRED)" C 65 0.949 1
110 1 19 1 "RMS(OBS, PRED)" CA 66 1.384 1
111 1 19 1 "RMS(OBS, PRED)" CB 62 1.045 1
112 1 19 1 "RMS(OBS, PRED)" H 61 0.387 1
113 1 19 1 "RMS(OBS, PRED)" HA 70 0.237 1
114 1 19 1 "RMS(OBS, PRED)" N 60 2.349 1
115 1 20 1 "RMS(OBS, PRED)" C 65 0.842 1
116 1 20 1 "RMS(OBS, PRED)" CA 66 1.141 1
117 1 20 1 "RMS(OBS, PRED)" CB 62 0.904 1
118 1 20 1 "RMS(OBS, PRED)" H 61 0.442 1
119 1 20 1 "RMS(OBS, PRED)" HA 70 0.212 1
120 1 20 1 "RMS(OBS, PRED)" N 60 2.515 1
stop_
save_
save_delta_chem_shifts_average
_Entity_delta_chem_shifts.Sf_category delta_chem_shifts
_Entity_delta_chem_shifts.Sf_framecode delta_chem_shifts_average
_Entity_delta_chem_shifts.Conformer_type "average"
_Entity_delta_chem_shifts.ID 2
_Entity_delta_chem_shifts.Details
;
This saveframe contains the averaged SPARTA chemical shift over all the models used.
;
loop_
_Delta_CS.Assigned_chem_shift_list_ID
_Delta_CS.Atom_chem_shift_ID
_Delta_CS.Assembly_atom_ID
_Delta_CS.Entity_assembly_ID
_Delta_CS.Entity_ID
_Delta_CS.PDB_asym_ID
_Delta_CS.Comp_index_ID
_Delta_CS.Seq_ID
_Delta_CS.Comp_ID
_Delta_CS.Atom_ID
_Delta_CS.Atom_type
_Delta_CS.Auth_seq_ID
_Delta_CS.Original_CS_value
_Delta_CS.Sparta_CS_value
_Delta_CS.Delta_CS_value
_Delta_CS.Entity_delta_chem_shifts_ID
1 1 . 1 1 A 7 7 GLY HA2 H 7 4.042 4.112 -0.070 2
1 2 . 1 1 A 7 7 GLY HA3 H 7 4.042 4.112 -0.070 2
1 3 . 1 1 A 7 7 GLY C C 7 174.377 173.600 0.777 2
1 4 . 1 1 A 7 7 GLY CA C 7 45.425 45.430 -0.005 2
1 5 . 1 1 A 8 8 THR H H 8 8.131 8.279 -0.148 2
1 6 . 1 1 A 8 8 THR HA H 8 4.448 4.626 -0.178 2
1 11 . 1 1 A 8 8 THR C C 8 174.773 173.741 1.032 2
1 12 . 1 1 A 8 8 THR CA C 8 61.787 61.441 0.346 2
1 13 . 1 1 A 8 8 THR CB C 8 69.913 69.890 0.023 2
1 15 . 1 1 A 8 8 THR N N 8 113.630 115.578 -1.948 2
1 16 . 1 1 A 9 9 THR H H 9 8.180 8.473 -0.293 2
1 17 . 1 1 A 9 9 THR HA H 9 4.355 4.691 -0.336 2
1 22 . 1 1 A 9 9 THR C C 9 174.203 173.688 0.515 2
1 23 . 1 1 A 9 9 THR CA C 9 61.892 61.704 0.188 2
1 24 . 1 1 A 9 9 THR CB C 9 69.891 69.985 -0.094 2
1 26 . 1 1 A 9 9 THR N N 9 116.604 119.017 -2.413 2
1 27 . 1 1 A 10 10 ALA H H 10 8.405 8.347 0.058 2
1 28 . 1 1 A 10 10 ALA HA H 10 4.376 4.719 -0.343 2
1 32 . 1 1 A 10 10 ALA C C 10 177.430 177.393 0.037 2
1 33 . 1 1 A 10 10 ALA CA C 10 52.317 50.964 1.353 2
1 34 . 1 1 A 10 10 ALA CB C 10 19.506 22.055 -2.549 2
1 35 . 1 1 A 10 10 ALA N N 10 126.934 128.052 -1.118 2
1 36 . 1 1 A 11 11 LYS H H 11 8.462 9.031 -0.569 2
1 37 . 1 1 A 11 11 LYS HA H 11 4.575 4.023 0.552 2
1 46 . 1 1 A 11 11 LYS C C 11 174.921 176.288 -1.367 2
1 47 . 1 1 A 11 11 LYS CA C 11 55.122 61.355 -6.233 2
1 48 . 1 1 A 11 11 LYS CB C 11 31.910 30.818 1.092 2
1 52 . 1 1 A 11 11 LYS N N 11 121.526 121.275 0.251 2
1 53 . 1 1 A 12 12 PRO HA H 12 4.363 4.416 -0.053 2
1 60 . 1 1 A 12 12 PRO C C 12 178.290 178.385 -0.095 2
1 61 . 1 1 A 12 12 PRO CA C 12 64.502 64.790 -0.288 2
1 62 . 1 1 A 12 12 PRO CB C 12 31.992 31.374 0.618 2
1 65 . 1 1 A 13 13 GLN H H 13 8.665 8.254 0.411 2
1 66 . 1 1 A 13 13 GLN HA H 13 4.158 4.275 -0.117 2
1 73 . 1 1 A 13 13 GLN C C 13 177.727 177.938 -0.211 2
1 74 . 1 1 A 13 13 GLN CA C 13 58.366 58.465 -0.099 2
1 75 . 1 1 A 13 13 GLN CB C 13 28.584 29.434 -0.850 2
1 77 . 1 1 A 13 13 GLN N N 13 119.964 117.342 2.622 2
1 79 . 1 1 A 14 14 GLN H H 14 8.376 8.272 0.104 2
1 80 . 1 1 A 14 14 GLN HA H 14 4.217 4.096 0.121 2
1 87 . 1 1 A 14 14 GLN C C 14 178.304 178.102 0.202 2
1 88 . 1 1 A 14 14 GLN CA C 14 58.190 58.272 -0.082 2
1 89 . 1 1 A 14 14 GLN CB C 14 28.639 28.242 0.397 2
1 91 . 1 1 A 14 14 GLN N N 14 120.039 117.470 2.569 2
1 93 . 1 1 A 15 15 ILE H H 15 7.802 7.731 0.071 2
1 94 . 1 1 A 15 15 ILE HA H 15 3.654 3.648 0.006 2
1 104 . 1 1 A 15 15 ILE C C 15 177.183 177.977 -0.794 2
1 105 . 1 1 A 15 15 ILE CA C 15 64.643 64.850 -0.207 2
1 106 . 1 1 A 15 15 ILE CB C 15 37.828 37.797 0.030 2
1 110 . 1 1 A 15 15 ILE N N 15 119.981 121.559 -1.578 2
1 111 . 1 1 A 16 16 GLN H H 16 8.159 8.048 0.111 2
1 112 . 1 1 A 16 16 GLN HA H 16 3.958 3.972 -0.014 2
1 119 . 1 1 A 16 16 GLN C C 16 177.647 177.955 -0.308 2
1 120 . 1 1 A 16 16 GLN CA C 16 58.648 59.001 -0.353 2
1 121 . 1 1 A 16 16 GLN CB C 16 28.531 28.546 -0.015 2
1 123 . 1 1 A 16 16 GLN N N 16 119.695 119.988 -0.293 2
1 125 . 1 1 A 17 17 ALA H H 17 7.946 7.773 0.173 2
1 126 . 1 1 A 17 17 ALA HA H 17 4.239 4.068 0.171 2
1 130 . 1 1 A 17 17 ALA C C 17 180.910 179.958 0.952 2
1 131 . 1 1 A 17 17 ALA CA C 17 55.106 54.996 0.110 2
1 132 . 1 1 A 17 17 ALA CB C 17 17.990 18.373 -0.383 2
1 133 . 1 1 A 17 17 ALA N N 17 120.227 121.700 -1.473 2
1 134 . 1 1 A 18 18 LEU H H 18 7.682 8.364 -0.682 2
1 135 . 1 1 A 18 18 LEU HA H 18 4.187 3.918 0.269 2
1 145 . 1 1 A 18 18 LEU C C 18 178.977 179.024 -0.047 2
1 146 . 1 1 A 18 18 LEU CA C 18 57.890 58.024 -0.134 2
1 147 . 1 1 A 18 18 LEU CB C 18 43.361 41.885 1.476 2
1 151 . 1 1 A 18 18 LEU N N 18 119.764 118.913 0.851 2
1 152 . 1 1 A 19 19 MET H H 19 8.699 8.470 0.229 2
1 153 . 1 1 A 19 19 MET HA H 19 3.965 4.052 -0.087 2
1 161 . 1 1 A 19 19 MET C C 19 179.207 178.184 1.023 2
1 162 . 1 1 A 19 19 MET CA C 19 59.794 58.807 0.987 2
1 163 . 1 1 A 19 19 MET CB C 19 32.445 32.260 0.185 2
1 166 . 1 1 A 19 19 MET N N 19 119.982 116.573 3.409 2
1 167 . 1 1 A 20 20 ASP H H 20 8.435 7.953 0.482 2
1 168 . 1 1 A 20 20 ASP HA H 20 4.453 4.329 0.124 2
1 171 . 1 1 A 20 20 ASP C C 20 179.127 178.319 0.808 2
1 172 . 1 1 A 20 20 ASP CA C 20 57.449 57.436 0.013 2
1 173 . 1 1 A 20 20 ASP CB C 20 39.986 41.543 -1.557 2
1 174 . 1 1 A 20 20 ASP N N 20 120.434 120.459 -0.025 2
1 175 . 1 1 A 21 21 GLU H H 21 8.150 7.976 0.174 2
1 176 . 1 1 A 21 21 GLU HA H 21 4.168 4.059 0.109 2
1 181 . 1 1 A 21 21 GLU C C 21 179.405 179.191 0.214 2
1 182 . 1 1 A 21 21 GLU CA C 21 59.477 59.345 0.132 2
1 183 . 1 1 A 21 21 GLU CB C 21 29.441 29.372 0.069 2
1 185 . 1 1 A 21 21 GLU N N 21 122.159 118.434 3.725 2
1 186 . 1 1 A 22 22 VAL H H 22 8.754 8.083 0.671 2
1 187 . 1 1 A 22 22 VAL HA H 22 3.484 3.637 -0.153 2
1 195 . 1 1 A 22 22 VAL C C 22 179.177 178.511 0.666 2
1 196 . 1 1 A 22 22 VAL CA C 22 67.545 66.345 1.200 2
1 197 . 1 1 A 22 22 VAL CB C 22 31.712 31.659 0.053 2
1 200 . 1 1 A 22 22 VAL N N 22 121.967 120.808 1.159 2
1 201 . 1 1 A 23 23 THR H H 23 8.410 8.046 0.364 2
1 202 . 1 1 A 23 23 THR HA H 23 3.888 3.854 0.034 2
1 207 . 1 1 A 23 23 THR C C 23 176.515 176.120 0.395 2
1 208 . 1 1 A 23 23 THR CA C 23 66.706 66.913 -0.207 2
1 209 . 1 1 A 23 23 THR CB C 23 68.646 68.646 -0.000 2
1 211 . 1 1 A 23 23 THR N N 23 119.619 116.561 3.058 2
1 212 . 1 1 A 24 24 LYS H H 24 8.179 8.111 0.069 2
1 213 . 1 1 A 24 24 LYS HA H 24 4.055 3.886 0.169 2
1 219 . 1 1 A 24 24 LYS C C 24 179.223 178.542 0.681 2
1 220 . 1 1 A 24 24 LYS CA C 24 59.865 59.774 0.091 2
1 221 . 1 1 A 24 24 LYS CB C 24 32.733 32.396 0.337 2
1 225 . 1 1 A 24 24 LYS N N 24 122.464 121.252 1.211 2
1 226 . 1 1 A 25 25 GLN H H 25 8.791 8.219 0.572 2
1 227 . 1 1 A 25 25 GLN HA H 25 4.266 3.990 0.276 2
1 234 . 1 1 A 25 25 GLN C C 25 178.359 178.740 -0.381 2
1 235 . 1 1 A 25 25 GLN CA C 25 57.273 59.470 -2.197 2
1 236 . 1 1 A 25 25 GLN CB C 25 26.830 28.515 -1.685 2
1 238 . 1 1 A 25 25 GLN N N 25 120.181 118.540 1.641 2
1 240 . 1 1 A 26 26 GLY H H 26 8.828 8.267 0.561 2
1 241 . 1 1 A 26 26 GLY HA2 H 26 4.099 3.782 0.317 2
1 242 . 1 1 A 26 26 GLY HA3 H 26 3.788 3.782 0.006 2
1 243 . 1 1 A 26 26 GLY C C 26 176.618 176.149 0.469 2
1 244 . 1 1 A 26 26 GLY CA C 26 47.161 47.357 -0.196 2
1 245 . 1 1 A 26 26 GLY N N 26 108.597 107.560 1.037 2
1 246 . 1 1 A 27 27 ASN H H 27 7.910 7.790 0.120 2
1 247 . 1 1 A 27 27 ASN HA H 27 4.582 4.447 0.135 2
1 252 . 1 1 A 27 27 ASN C C 27 177.317 177.761 -0.444 2
1 253 . 1 1 A 27 27 ASN CA C 27 56.074 55.563 0.510 2
1 254 . 1 1 A 27 27 ASN CB C 27 37.729 38.300 -0.571 2
1 255 . 1 1 A 27 27 ASN N N 27 121.818 119.775 2.043 2
1 257 . 1 1 A 28 28 ILE H H 28 7.811 8.025 -0.214 2
1 258 . 1 1 A 28 28 ILE HA H 28 3.789 3.780 0.009 2
1 268 . 1 1 A 28 28 ILE C C 28 178.445 178.393 0.052 2
1 269 . 1 1 A 28 28 ILE CA C 28 65.117 65.027 0.090 2
1 270 . 1 1 A 28 28 ILE CB C 28 37.914 37.787 0.127 2
1 274 . 1 1 A 28 28 ILE N N 28 123.083 120.263 2.820 2
1 275 . 1 1 A 29 29 VAL H H 29 8.018 8.138 -0.120 2
1 276 . 1 1 A 29 29 VAL HA H 29 3.399 3.612 -0.213 2
1 284 . 1 1 A 29 29 VAL C C 29 176.953 178.073 -1.120 2
1 285 . 1 1 A 29 29 VAL CA C 29 67.541 66.817 0.724 2
1 286 . 1 1 A 29 29 VAL CB C 29 32.013 31.485 0.528 2
1 289 . 1 1 A 29 29 VAL N N 29 119.117 120.559 -1.442 2
1 290 . 1 1 A 30 30 ARG H H 30 7.965 7.888 0.077 2
1 291 . 1 1 A 30 30 ARG HA H 30 3.928 3.950 -0.022 2
1 298 . 1 1 A 30 30 ARG C C 30 179.609 178.410 1.199 2
1 299 . 1 1 A 30 30 ARG CA C 30 60.006 59.809 0.197 2
1 300 . 1 1 A 30 30 ARG CB C 30 30.302 29.889 0.413 2
1 303 . 1 1 A 30 30 ARG N N 30 118.510 119.875 -1.365 2
1 304 . 1 1 A 31 31 GLU H H 31 8.211 8.238 -0.027 2
1 305 . 1 1 A 31 31 GLU HA H 31 4.167 4.082 0.085 2
1 310 . 1 1 A 31 31 GLU C C 31 178.910 179.105 -0.195 2
1 311 . 1 1 A 31 31 GLU CA C 31 59.195 59.058 0.137 2
1 312 . 1 1 A 31 31 GLU CB C 31 29.437 29.306 0.131 2
1 314 . 1 1 A 31 31 GLU N N 31 120.110 117.800 2.310 2
1 315 . 1 1 A 32 32 LEU H H 32 8.287 8.215 0.072 2
1 316 . 1 1 A 32 32 LEU HA H 32 4.021 3.919 0.102 2
1 326 . 1 1 A 32 32 LEU C C 32 179.931 179.229 0.702 2
1 327 . 1 1 A 32 32 LEU CA C 32 57.979 57.705 0.274 2
1 328 . 1 1 A 32 32 LEU CB C 32 42.524 41.619 0.905 2
1 332 . 1 1 A 32 32 LEU N N 32 120.148 121.247 -1.099 2
1 333 . 1 1 A 33 33 LYS H H 33 8.205 7.900 0.305 2
1 334 . 1 1 A 33 33 LYS HA H 33 4.048 4.058 -0.010 2
1 343 . 1 1 A 33 33 LYS C C 33 180.739 179.394 1.345 2
1 344 . 1 1 A 33 33 LYS CA C 33 59.883 59.538 0.345 2
1 345 . 1 1 A 33 33 LYS CB C 33 32.569 32.192 0.377 2
1 349 . 1 1 A 33 33 LYS N N 33 117.234 117.515 -0.281 2
1 350 . 1 1 A 34 34 ALA H H 34 8.101 7.774 0.327 2
1 351 . 1 1 A 34 34 ALA HA H 34 4.185 4.115 0.070 2
1 355 . 1 1 A 34 34 ALA C C 34 179.304 178.633 0.671 2
1 356 . 1 1 A 34 34 ALA CA C 34 54.734 54.313 0.421 2
1 357 . 1 1 A 34 34 ALA CB C 34 18.190 18.396 -0.206 2
1 358 . 1 1 A 34 34 ALA N N 34 123.540 121.423 2.117 2
1 359 . 1 1 A 35 35 GLN H H 35 7.815 7.750 0.065 2
1 360 . 1 1 A 35 35 GLN HA H 35 4.299 4.379 -0.080 2
1 367 . 1 1 A 35 35 GLN C C 35 175.344 175.008 0.336 2
1 368 . 1 1 A 35 35 GLN CA C 35 55.342 55.118 0.224 2
1 369 . 1 1 A 35 35 GLN CB C 35 28.819 28.240 0.579 2
1 371 . 1 1 A 35 35 GLN N N 35 115.126 114.557 0.569 2
1 373 . 1 1 A 36 36 LYS H H 36 7.948 7.791 0.157 2
1 374 . 1 1 A 36 36 LYS HA H 36 3.963 3.849 0.115 2
1 382 . 1 1 A 36 36 LYS C C 36 175.883 175.724 0.159 2
1 383 . 1 1 A 36 36 LYS CA C 36 56.872 57.182 -0.310 2
1 384 . 1 1 A 36 36 LYS CB C 36 28.917 29.840 -0.923 2
1 388 . 1 1 A 36 36 LYS N N 36 117.310 115.908 1.402 2
1 389 . 1 1 A 37 37 ALA H H 37 7.646 7.459 0.187 2
1 390 . 1 1 A 37 37 ALA HA H 37 4.226 4.264 -0.038 2
1 394 . 1 1 A 37 37 ALA C C 37 176.094 176.445 -0.351 2
1 395 . 1 1 A 37 37 ALA CA C 37 52.143 52.493 -0.350 2
1 396 . 1 1 A 37 37 ALA CB C 37 20.742 19.720 1.022 2
1 397 . 1 1 A 37 37 ALA N N 37 120.112 120.303 -0.191 2
1 398 . 1 1 A 38 38 ASP H H 38 8.474 8.426 0.048 2
1 399 . 1 1 A 38 38 ASP HA H 38 4.387 4.472 -0.085 2
1 402 . 1 1 A 38 38 ASP C C 38 177.481 177.469 0.012 2
1 403 . 1 1 A 38 38 ASP CA C 38 54.992 54.519 0.473 2
1 404 . 1 1 A 38 38 ASP CB C 38 43.156 42.730 0.426 2
1 405 . 1 1 A 38 38 ASP N N 38 119.141 121.169 -2.028 2
1 406 . 1 1 A 39 39 LYS H H 39 8.703 8.697 0.006 2
1 407 . 1 1 A 39 39 LYS HA H 39 3.967 3.926 0.041 2
1 414 . 1 1 A 39 39 LYS C C 39 178.806 178.427 0.379 2
1 415 . 1 1 A 39 39 LYS CA C 39 59.547 60.078 -0.531 2
1 416 . 1 1 A 39 39 LYS CB C 39 32.222 32.173 0.049 2
1 420 . 1 1 A 39 39 LYS N N 39 124.290 126.266 -1.976 2
1 421 . 1 1 A 40 40 ASN H H 40 8.873 8.198 0.675 2
1 422 . 1 1 A 40 40 ASN HA H 40 4.571 4.430 0.141 2
1 427 . 1 1 A 40 40 ASN C C 40 178.014 178.033 -0.019 2
1 428 . 1 1 A 40 40 ASN CA C 40 56.091 56.551 -0.460 2
1 429 . 1 1 A 40 40 ASN CB C 40 37.900 38.500 -0.600 2
1 430 . 1 1 A 40 40 ASN N N 40 119.722 117.937 1.785 2
1 432 . 1 1 A 41 41 GLU H H 41 7.881 8.046 -0.165 2
1 433 . 1 1 A 41 41 GLU HA H 41 4.192 4.034 0.158 2
1 438 . 1 1 A 41 41 GLU C C 41 178.917 179.486 -0.569 2
1 439 . 1 1 A 41 41 GLU CA C 41 59.213 59.357 -0.144 2
1 440 . 1 1 A 41 41 GLU CB C 41 29.520 29.498 0.022 2
1 442 . 1 1 A 41 41 GLU N N 41 124.025 119.210 4.815 2
1 443 . 1 1 A 42 42 VAL H H 42 8.061 8.237 -0.176 2
1 444 . 1 1 A 42 42 VAL HA H 42 3.397 3.595 -0.198 2
1 452 . 1 1 A 42 42 VAL C C 42 177.701 177.927 -0.226 2
1 453 . 1 1 A 42 42 VAL CA C 42 67.341 66.406 0.935 2
1 454 . 1 1 A 42 42 VAL CB C 42 32.075 31.593 0.482 2
1 457 . 1 1 A 42 42 VAL N N 42 117.921 120.825 -2.904 2
1 458 . 1 1 A 43 43 ALA H H 43 8.136 8.552 -0.416 2
1 459 . 1 1 A 43 43 ALA HA H 43 4.101 3.945 0.156 2
1 463 . 1 1 A 43 43 ALA C C 43 180.808 179.519 1.289 2
1 464 . 1 1 A 43 43 ALA CA C 43 55.404 55.574 -0.170 2
1 465 . 1 1 A 43 43 ALA CB C 43 17.722 18.508 -0.786 2
1 466 . 1 1 A 43 43 ALA N N 43 119.833 121.972 -2.139 2
1 467 . 1 1 A 44 44 ALA H H 44 7.664 7.985 -0.321 2
1 468 . 1 1 A 44 44 ALA HA H 44 4.234 4.018 0.216 2
1 472 . 1 1 A 44 44 ALA C C 44 180.953 180.180 0.773 2
1 473 . 1 1 A 44 44 ALA CA C 44 55.122 55.439 -0.317 2
1 474 . 1 1 A 44 44 ALA CB C 44 18.229 18.590 -0.361 2
1 475 . 1 1 A 44 44 ALA N N 44 121.026 119.522 1.504 2
1 476 . 1 1 A 45 45 GLU H H 45 7.837 7.835 0.002 2
1 477 . 1 1 A 45 45 GLU HA H 45 4.447 4.030 0.417 2
1 482 . 1 1 A 45 45 GLU C C 45 180.357 179.411 0.946 2
1 483 . 1 1 A 45 45 GLU CA C 45 57.467 59.520 -2.053 2
1 484 . 1 1 A 45 45 GLU CB C 45 28.255 29.656 -1.401 2
1 486 . 1 1 A 45 45 GLU N N 45 118.409 118.056 0.353 2
1 487 . 1 1 A 46 46 VAL H H 46 9.024 8.092 0.932 2
1 488 . 1 1 A 46 46 VAL HA H 46 3.638 3.588 0.050 2
1 496 . 1 1 A 46 46 VAL C C 46 177.712 177.968 -0.256 2
1 497 . 1 1 A 46 46 VAL CA C 46 66.961 66.530 0.431 2
1 498 . 1 1 A 46 46 VAL CB C 46 31.910 31.520 0.390 2
1 501 . 1 1 A 46 46 VAL N N 46 124.975 120.938 4.037 2
1 502 . 1 1 A 47 47 ALA H H 47 8.130 8.433 -0.303 2
1 503 . 1 1 A 47 47 ALA HA H 47 4.093 3.999 0.093 2
1 507 . 1 1 A 47 47 ALA C C 47 180.853 179.346 1.507 2
1 508 . 1 1 A 47 47 ALA CA C 47 55.545 55.551 -0.006 2
1 509 . 1 1 A 47 47 ALA CB C 47 17.683 18.338 -0.655 2
1 510 . 1 1 A 47 47 ALA N N 47 122.493 121.787 0.706 2
1 511 . 1 1 A 48 48 LYS H H 48 7.442 7.856 -0.414 2
1 512 . 1 1 A 48 48 LYS HA H 48 4.183 3.993 0.190 2
1 521 . 1 1 A 48 48 LYS C C 48 178.698 178.526 0.172 2
1 522 . 1 1 A 48 48 LYS CA C 48 59.389 59.642 -0.253 2
1 523 . 1 1 A 48 48 LYS CB C 48 32.610 32.208 0.402 2
1 527 . 1 1 A 48 48 LYS N N 48 118.186 117.998 0.188 2
1 528 . 1 1 A 49 49 LEU H H 49 7.822 8.250 -0.428 2
1 529 . 1 1 A 49 49 LEU HA H 49 4.012 3.996 0.016 2
1 539 . 1 1 A 49 49 LEU C C 49 177.582 178.432 -0.850 2
1 540 . 1 1 A 49 49 LEU CA C 49 58.490 58.265 0.225 2
1 541 . 1 1 A 49 49 LEU CB C 49 42.119 41.746 0.373 2
1 545 . 1 1 A 49 49 LEU N N 49 120.499 120.768 -0.269 2
1 546 . 1 1 A 50 50 LEU H H 50 8.565 8.239 0.326 2
1 547 . 1 1 A 50 50 LEU HA H 50 3.994 3.917 0.077 2
1 557 . 1 1 A 50 50 LEU C C 50 180.128 179.029 1.099 2
1 558 . 1 1 A 50 50 LEU CA C 50 58.330 57.855 0.475 2
1 559 . 1 1 A 50 50 LEU CB C 50 41.060 41.492 -0.432 2
1 563 . 1 1 A 50 50 LEU N N 50 118.622 119.049 -0.427 2
1 564 . 1 1 A 51 51 ASP H H 51 7.962 7.927 0.035 2
1 565 . 1 1 A 51 51 ASP HA H 51 4.480 4.443 0.037 2
1 568 . 1 1 A 51 51 ASP C C 51 178.808 178.676 0.132 2
1 569 . 1 1 A 51 51 ASP CA C 51 57.802 57.024 0.778 2
1 570 . 1 1 A 51 51 ASP CB C 51 41.435 40.963 0.472 2
1 571 . 1 1 A 51 51 ASP N N 51 120.483 119.681 0.802 2
1 572 . 1 1 A 52 52 LEU H H 52 8.228 8.170 0.058 2
1 573 . 1 1 A 52 52 LEU HA H 52 4.006 3.975 0.031 2
1 583 . 1 1 A 52 52 LEU C C 52 179.173 179.330 -0.157 2
1 584 . 1 1 A 52 52 LEU CA C 52 58.190 57.500 0.690 2
1 585 . 1 1 A 52 52 LEU CB C 52 43.222 41.473 1.749 2
1 589 . 1 1 A 52 52 LEU N N 52 121.105 120.127 0.978 2
1 590 . 1 1 A 53 53 LYS H H 53 8.531 7.935 0.596 2
1 591 . 1 1 A 53 53 LYS HA H 53 3.872 3.979 -0.107 2
1 600 . 1 1 A 53 53 LYS C C 53 179.984 179.071 0.913 2
1 601 . 1 1 A 53 53 LYS CA C 53 60.699 59.862 0.837 2
1 602 . 1 1 A 53 53 LYS CB C 53 32.239 32.336 -0.097 2
1 606 . 1 1 A 53 53 LYS N N 53 118.013 118.565 -0.552 2
1 607 . 1 1 A 54 54 LYS H H 54 8.090 8.027 0.063 2
1 608 . 1 1 A 54 54 LYS HA H 54 4.165 4.096 0.069 2
1 616 . 1 1 A 54 54 LYS C C 54 178.638 178.988 -0.350 2
1 617 . 1 1 A 54 54 LYS CA C 54 59.847 59.245 0.602 2
1 618 . 1 1 A 54 54 LYS CB C 54 32.116 32.297 -0.181 2
1 622 . 1 1 A 54 54 LYS N N 54 122.616 119.099 3.517 2
1 623 . 1 1 A 55 55 GLN H H 55 8.214 8.006 0.208 2
1 624 . 1 1 A 55 55 GLN HA H 55 3.976 4.048 -0.072 2
1 631 . 1 1 A 55 55 GLN C C 55 179.696 178.254 1.442 2
1 632 . 1 1 A 55 55 GLN CA C 55 59.177 58.630 0.547 2
1 633 . 1 1 A 55 55 GLN CB C 55 29.400 28.288 1.112 2
1 635 . 1 1 A 55 55 GLN N N 55 119.132 119.175 -0.043 2
1 637 . 1 1 A 56 56 LEU H H 56 8.506 7.926 0.580 2
1 638 . 1 1 A 56 56 LEU HA H 56 4.116 4.074 0.042 2
1 648 . 1 1 A 56 56 LEU C C 56 176.782 178.188 -1.406 2
1 649 . 1 1 A 56 56 LEU CA C 56 57.925 58.155 -0.230 2
1 650 . 1 1 A 56 56 LEU CB C 56 41.465 41.937 -0.472 2
1 654 . 1 1 A 56 56 LEU N N 56 122.033 121.938 0.095 2
1 655 . 1 1 A 57 57 ALA H H 57 7.896 8.158 -0.262 2
1 656 . 1 1 A 57 57 ALA HA H 57 4.232 4.074 0.158 2
1 660 . 1 1 A 57 57 ALA C C 57 180.928 179.947 0.981 2
1 661 . 1 1 A 57 57 ALA CA C 57 55.246 55.422 -0.176 2
1 662 . 1 1 A 57 57 ALA CB C 57 17.776 18.527 -0.751 2
1 663 . 1 1 A 57 57 ALA N N 57 121.379 120.522 0.857 2
1 664 . 1 1 A 58 58 VAL H H 58 7.973 8.085 -0.112 2
1 665 . 1 1 A 58 58 VAL HA H 58 3.761 3.626 0.135 2
1 673 . 1 1 A 58 58 VAL C C 58 179.410 177.978 1.432 2
1 674 . 1 1 A 58 58 VAL CA C 58 65.807 66.607 -0.800 2
1 675 . 1 1 A 58 58 VAL CB C 58 31.978 31.575 0.403 2
1 678 . 1 1 A 58 58 VAL N N 58 117.592 118.001 -0.409 2
1 679 . 1 1 A 59 59 ALA H H 59 8.024 8.294 -0.270 2
1 680 . 1 1 A 59 59 ALA HA H 59 4.133 3.992 0.141 2
1 684 . 1 1 A 59 59 ALA C C 59 179.359 179.975 -0.616 2
1 685 . 1 1 A 59 59 ALA CA C 59 54.805 55.704 -0.899 2
1 686 . 1 1 A 59 59 ALA CB C 59 18.513 18.449 0.064 2
1 687 . 1 1 A 59 59 ALA N N 59 124.023 121.848 2.175 2
1 688 . 1 1 A 60 60 GLU H H 60 8.334 7.861 0.473 2
1 689 . 1 1 A 60 60 GLU HA H 60 4.143 4.154 -0.011 2
1 694 . 1 1 A 60 60 GLU C C 60 177.391 176.654 0.737 2
1 695 . 1 1 A 60 60 GLU CA C 60 57.915 57.562 0.353 2
1 696 . 1 1 A 60 60 GLU CB C 60 30.962 30.015 0.947 2
1 698 . 1 1 A 60 60 GLU N N 60 115.335 116.230 -0.895 2
1 699 . 1 1 A 61 61 GLY H H 61 7.845 8.032 -0.187 2
1 700 . 1 1 A 61 61 GLY HA2 H 61 3.958 4.004 -0.046 2
1 701 . 1 1 A 61 61 GLY HA3 H 61 3.958 4.004 -0.046 2
1 702 . 1 1 A 61 61 GLY C C 61 174.090 174.475 -0.385 2
1 703 . 1 1 A 61 61 GLY CA C 61 45.654 45.508 0.146 2
1 704 . 1 1 A 61 61 GLY N N 61 107.486 107.400 0.086 2
1 705 . 1 1 A 62 62 LYS H H 62 8.068 7.687 0.381 2
1 706 . 1 1 A 62 62 LYS HA H 62 4.612 4.553 0.059 2
1 715 . 1 1 A 62 62 LYS C C 62 174.023 174.446 -0.423 2
1 716 . 1 1 A 62 62 LYS CA C 62 54.147 54.117 0.030 2
1 717 . 1 1 A 62 62 LYS CB C 62 32.651 32.598 0.053 2
1 721 . 1 1 A 62 62 LYS N N 62 121.672 120.357 1.315 2
1 722 . 1 1 A 63 63 PRO HA H 63 4.692 4.644 0.048 2
1 729 . 1 1 A 63 63 PRO CA C 63 61.351 61.745 -0.394 2
1 730 . 1 1 A 63 63 PRO CB C 63 30.892 31.615 -0.723 2
1 733 . 1 1 A 64 64 PRO HA H 64 4.408 4.549 -0.141 2
1 740 . 1 1 A 64 64 PRO C C 64 176.775 176.941 -0.166 2
1 741 . 1 1 A 64 64 PRO CA C 64 62.926 62.471 0.455 2
1 742 . 1 1 A 64 64 PRO CB C 64 32.074 32.837 -0.763 2
1 745 . 1 1 A 65 65 GLU H H 65 8.396 8.791 -0.395 2
1 746 . 1 1 A 65 65 GLU HA H 65 4.243 4.135 0.108 2
1 751 . 1 1 A 65 65 GLU C C 65 175.888 176.436 -0.548 2
1 752 . 1 1 A 65 65 GLU CA C 65 56.083 57.995 -1.912 2
1 753 . 1 1 A 65 65 GLU CB C 65 30.722 28.808 1.914 2
1 755 . 1 1 A 65 65 GLU N N 65 121.093 120.469 0.624 2
1 756 . 1 1 A 66 66 ALA H H 66 8.434 7.908 0.526 2
1 757 . 1 1 A 66 66 ALA HA H 66 4.583 4.058 0.525 2
1 761 . 1 1 A 66 66 ALA C C 66 175.504 176.293 -0.789 2
1 762 . 1 1 A 66 66 ALA CA C 66 50.482 54.103 -3.621 2
1 763 . 1 1 A 66 66 ALA CB C 66 18.108 17.821 0.287 2
1 764 . 1 1 A 66 66 ALA N N 66 127.348 121.701 5.647 2
1 765 . 1 1 A 67 67 PRO HA H 67 4.408 4.433 -0.025 2
1 772 . 1 1 A 67 67 PRO C C 67 177.111 176.640 0.471 2
1 773 . 1 1 A 67 67 PRO CA C 67 63.056 64.193 -1.137 2
1 774 . 1 1 A 67 67 PRO CB C 67 32.074 31.687 0.387 2
1 777 . 1 1 A 68 68 LYS H H 68 8.479 8.054 0.425 2
1 778 . 1 1 A 68 68 LYS HA H 68 4.291 4.359 -0.068 2
1 787 . 1 1 A 68 68 LYS C C 68 177.292 176.410 0.882 2
1 788 . 1 1 A 68 68 LYS CA C 68 56.322 56.651 -0.329 2
1 789 . 1 1 A 68 68 LYS CB C 68 33.146 33.000 0.146 2
1 793 . 1 1 A 68 68 LYS N N 68 121.836 118.982 2.854 2
1 794 . 1 1 A 69 69 GLY H H 69 8.387 8.421 -0.034 2
1 795 . 1 1 A 69 69 GLY HA2 H 69 3.948 4.119 -0.171 2
1 796 . 1 1 A 69 69 GLY HA3 H 69 3.948 4.119 -0.171 2
1 797 . 1 1 A 69 69 GLY C C 69 173.940 173.404 0.537 2
1 798 . 1 1 A 69 69 GLY CA C 69 45.160 45.362 -0.202 2
1 799 . 1 1 A 69 69 GLY N N 69 109.796 110.581 -0.785 2
1 800 . 1 1 A 70 70 LYS H H 70 8.196 8.396 -0.200 2
1 801 . 1 1 A 70 70 LYS HA H 70 4.318 4.475 -0.157 2
1 810 . 1 1 A 70 70 LYS C C 70 176.642 175.995 0.647 2
1 811 . 1 1 A 70 70 LYS CA C 70 56.127 55.990 0.137 2
1 812 . 1 1 A 70 70 LYS CB C 70 33.272 33.600 -0.328 2
1 816 . 1 1 A 70 70 LYS N N 70 121.044 121.531 -0.487 2
1 817 . 1 1 A 71 71 LYS H H 71 8.348 8.349 -0.001 2
1 818 . 1 1 A 71 71 LYS HA H 71 4.273 4.570 -0.297 2
1 827 . 1 1 A 71 71 LYS C C 71 176.548 175.940 0.608 2
1 828 . 1 1 A 71 71 LYS CA C 71 56.285 56.025 0.260 2
1 829 . 1 1 A 71 71 LYS CB C 71 33.270 33.729 -0.459 2
1 833 . 1 1 A 71 71 LYS N N 71 123.152 122.191 0.961 2
1 834 . 1 1 A 72 72 LYS H H 72 8.405 8.417 -0.012 2
1 835 . 1 1 A 72 72 LYS HA H 72 4.273 4.519 -0.246 2
1 836 . 1 1 A 72 72 LYS C C 72 176.499 175.971 0.528 2
1 837 . 1 1 A 72 72 LYS CA C 72 56.356 56.299 0.057 2
1 838 . 1 1 A 72 72 LYS CB C 72 33.146 33.962 -0.816 2
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