data_15585_sparta
save_entry_information
_Entry.Sf_category entry_information
_Entry.Sf_framecode entry_information
_Entry.ID 15585
_Entry.PDB_ID 2JYA
_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 10 . 1 1 1 A 5 5 SER H H 2 8.403 8.871 -0.468 1
1 11 . 1 1 1 A 5 5 SER HA H 2 5.099 5.825 -0.726 1
1 14 . 1 1 1 A 5 5 SER C C 2 173.833 173.377 0.456 1
1 15 . 1 1 1 A 5 5 SER CA C 2 57.556 56.671 0.885 1
1 16 . 1 1 1 A 5 5 SER CB C 2 65.337 64.726 0.611 1
1 17 . 1 1 1 A 5 5 SER N N 2 116.747 117.306 -0.559 1
1 18 . 1 1 1 A 6 6 ALA H H 3 8.552 9.225 -0.673 1
1 19 . 1 1 1 A 6 6 ALA HA H 3 5.040 5.549 -0.509 1
1 23 . 1 1 1 A 6 6 ALA C C 3 176.117 176.955 -0.838 1
1 24 . 1 1 1 A 6 6 ALA CA C 3 51.500 50.442 1.058 1
1 25 . 1 1 1 A 6 6 ALA CB C 3 23.991 20.592 3.399 1
1 26 . 1 1 1 A 6 6 ALA N N 3 123.072 127.972 -4.900 1
1 27 . 1 1 1 A 7 7 LYS H H 4 8.706 9.631 -0.925 1
1 28 . 1 1 1 A 7 7 LYS HA H 4 5.428 5.522 -0.094 1
1 37 . 1 1 1 A 7 7 LYS C C 4 174.490 175.512 -1.022 1
1 38 . 1 1 1 A 7 7 LYS CA C 4 54.280 55.268 -0.988 1
1 39 . 1 1 1 A 7 7 LYS CB C 4 36.399 34.904 1.495 1
1 43 . 1 1 1 A 7 7 LYS N N 4 117.868 120.902 -3.034 1
1 44 . 1 1 1 A 8 8 ILE H H 5 8.752 8.902 -0.150 1
1 45 . 1 1 1 A 8 8 ILE HA H 5 5.741 5.115 0.626 1
1 55 . 1 1 1 A 8 8 ILE C C 5 174.552 175.208 -0.656 1
1 56 . 1 1 1 A 8 8 ILE CA C 5 59.953 60.621 -0.668 1
1 57 . 1 1 1 A 8 8 ILE CB C 5 41.115 39.091 2.024 1
1 61 . 1 1 1 A 8 8 ILE N N 5 122.521 126.339 -3.818 1
1 62 . 1 1 1 A 9 9 TYR H H 6 8.980 8.813 0.167 1
1 63 . 1 1 1 A 9 9 TYR HA H 6 5.214 5.809 -0.595 1
1 68 . 1 1 1 A 9 9 TYR C C 6 171.856 172.696 -0.840 1
1 69 . 1 1 1 A 9 9 TYR CA C 6 56.053 55.901 0.152 1
1 70 . 1 1 1 A 9 9 TYR CB C 6 40.371 41.611 -1.240 1
1 72 . 1 1 1 A 9 9 TYR N N 6 122.495 124.283 -1.788 1
1 73 . 1 1 1 A 10 10 ARG H H 7 8.830 8.533 0.297 1
1 74 . 1 1 1 A 10 10 ARG HA H 7 4.498 4.666 -0.168 1
1 81 . 1 1 1 A 10 10 ARG CA C 7 51.891 52.776 -0.885 1
1 82 . 1 1 1 A 10 10 ARG CB C 7 30.299 30.804 -0.505 1
1 85 . 1 1 1 A 10 10 ARG N N 7 122.632 120.670 1.962 1
1 86 . 1 1 1 A 11 11 PRO HA H 8 4.369 4.732 -0.363 1
1 93 . 1 1 1 A 11 11 PRO C C 8 176.086 177.417 -1.331 1
1 94 . 1 1 1 A 11 11 PRO CA C 8 62.730 62.750 -0.020 1
1 95 . 1 1 1 A 11 11 PRO CB C 8 32.364 33.110 -0.746 1
1 98 . 1 1 1 A 12 12 ALA H H 9 8.384 8.586 -0.202 1
1 99 . 1 1 1 A 12 12 ALA HA H 9 4.193 4.105 0.088 1
1 103 . 1 1 1 A 12 12 ALA C C 9 177.948 177.867 0.081 1
1 104 . 1 1 1 A 12 12 ALA CA C 9 52.406 54.924 -2.518 1
1 105 . 1 1 1 A 12 12 ALA CB C 9 19.441 18.923 0.518 1
1 106 . 1 1 1 A 12 12 ALA N N 9 124.348 122.770 1.578 1
1 107 . 1 1 1 A 13 13 LYS H H 10 8.242 7.705 0.537 1
1 108 . 1 1 1 A 13 13 LYS HA H 10 4.289 4.777 -0.488 1
1 117 . 1 1 1 A 13 13 LYS C C 10 176.555 175.771 0.784 1
1 118 . 1 1 1 A 13 13 LYS CA C 10 56.345 55.108 1.237 1
1 119 . 1 1 1 A 13 13 LYS CB C 10 33.052 34.297 -1.245 1
1 123 . 1 1 1 A 13 13 LYS N N 10 120.348 115.350 4.998 1
1 124 . 1 1 1 A 14 14 THR H H 11 7.950 8.683 -0.733 1
1 125 . 1 1 1 A 14 14 THR HA H 11 4.320 4.787 -0.467 1
1 130 . 1 1 1 A 14 14 THR C C 11 174.302 174.594 -0.292 1
1 131 . 1 1 1 A 14 14 THR CA C 11 61.603 60.224 1.379 1
1 132 . 1 1 1 A 14 14 THR CB C 11 69.699 70.799 -1.100 1
1 134 . 1 1 1 A 14 14 THR N N 11 112.991 116.309 -3.318 1
1 135 . 1 1 1 A 15 15 ALA H H 12 8.189 8.662 -0.473 1
1 136 . 1 1 1 A 15 15 ALA HA H 12 4.250 4.300 -0.050 1
1 140 . 1 1 1 A 15 15 ALA C C 12 177.838 177.744 0.094 1
1 141 . 1 1 1 A 15 15 ALA CA C 12 52.840 51.789 1.051 1
1 142 . 1 1 1 A 15 15 ALA CB C 12 19.231 18.569 0.662 1
1 143 . 1 1 1 A 15 15 ALA N N 12 125.979 125.687 0.292 1
1 144 . 1 1 1 A 16 16 MET H H 13 8.110 8.721 -0.611 1
1 145 . 1 1 1 A 16 16 MET HA H 13 4.374 4.253 0.121 1
1 150 . 1 1 1 A 16 16 MET C C 13 176.148 176.009 0.139 1
1 151 . 1 1 1 A 16 16 MET CA C 13 55.595 57.386 -1.791 1
1 152 . 1 1 1 A 16 16 MET CB C 13 32.625 32.406 0.219 1
1 154 . 1 1 1 A 16 16 MET N N 13 118.186 123.158 -4.972 1
1 155 . 1 1 1 A 17 17 GLN H H 14 8.198 8.061 0.137 1
1 156 . 1 1 1 A 17 17 GLN HA H 14 4.273 3.970 0.303 1
1 161 . 1 1 1 A 17 17 GLN C C 14 175.992 175.012 0.980 1
1 162 . 1 1 1 A 17 17 GLN CA C 14 56.032 56.727 -0.695 1
1 163 . 1 1 1 A 17 17 GLN CB C 14 29.371 27.742 1.629 1
1 165 . 1 1 1 A 17 17 GLN N N 14 121.811 118.369 3.442 1
1 166 . 1 1 1 A 18 18 SER H H 15 8.275 8.646 -0.371 1
1 167 . 1 1 1 A 18 18 SER HA H 15 4.379 4.105 0.274 1
1 170 . 1 1 1 A 18 18 SER C C 15 175.053 173.774 1.279 1
1 171 . 1 1 1 A 18 18 SER CA C 15 58.536 59.297 -0.761 1
1 172 . 1 1 1 A 18 18 SER CB C 15 63.856 62.303 1.553 1
1 173 . 1 1 1 A 18 18 SER N N 15 116.768 120.442 -3.674 1
1 174 . 1 1 1 A 19 19 GLY H H 16 8.430 8.510 -0.080 1
1 175 . 1 1 1 A 19 19 GLY HA2 H 16 4.031 3.923 0.108 1
1 176 . 1 1 1 A 19 19 GLY HA3 H 16 3.906 3.925 -0.019 1
1 177 . 1 1 1 A 19 19 GLY C C 16 174.490 175.554 -1.064 1
1 178 . 1 1 1 A 19 19 GLY CA C 16 45.580 46.374 -0.794 1
1 179 . 1 1 1 A 19 19 GLY N N 16 111.050 106.516 4.534 1
1 180 . 1 1 1 A 20 20 THR H H 17 7.950 7.765 0.185 1
1 181 . 1 1 1 A 20 20 THR HA H 17 4.289 4.185 0.104 1
1 185 . 1 1 1 A 20 20 THR C C 17 174.427 174.958 -0.531 1
1 186 . 1 1 1 A 20 20 THR CA C 17 61.477 64.292 -2.815 1
1 188 . 1 1 1 A 20 20 THR N N 17 112.991 112.005 0.986 1
1 189 . 1 1 1 A 21 21 ALA H H 18 8.247 7.437 0.810 1
1 190 . 1 1 1 A 21 21 ALA N N 18 125.213 125.262 -0.049 1
1 191 . 1 1 1 A 22 22 LYS HA H 19 4.265 4.348 -0.083 1
1 200 . 1 1 1 A 22 22 LYS C C 19 176.774 176.684 0.090 1
1 201 . 1 1 1 A 22 22 LYS CA C 19 56.596 58.188 -1.592 1
1 202 . 1 1 1 A 22 22 LYS CB C 19 33.126 32.513 0.613 1
1 206 . 1 1 1 A 23 23 THR H H 20 8.004 7.677 0.327 1
1 207 . 1 1 1 A 23 23 THR HA H 20 4.333 4.451 -0.118 1
1 212 . 1 1 1 A 23 23 THR C C 20 174.083 174.286 -0.203 1
1 213 . 1 1 1 A 23 23 THR CA C 20 61.682 60.814 0.868 1
1 214 . 1 1 1 A 23 23 THR CB C 20 69.908 71.511 -1.603 1
1 216 . 1 1 1 A 23 23 THR N N 20 113.978 111.253 2.725 1
1 217 . 1 1 1 A 24 24 ASN H H 21 8.289 8.479 -0.190 1
1 218 . 1 1 1 A 24 24 ASN HA H 21 4.689 4.740 -0.051 1
1 223 . 1 1 1 A 24 24 ASN C C 21 174.177 174.759 -0.582 1
1 224 . 1 1 1 A 24 24 ASN CA C 21 52.966 53.152 -0.186 1
1 225 . 1 1 1 A 24 24 ASN CB C 21 38.404 37.301 1.103 1
1 226 . 1 1 1 A 24 24 ASN N N 21 118.085 118.874 -0.789 1
1 228 . 1 1 1 A 25 25 VAL H H 22 7.381 8.300 -0.919 1
1 229 . 1 1 1 A 25 25 VAL HA H 22 4.336 4.146 0.190 1
1 237 . 1 1 1 A 25 25 VAL C C 22 174.271 176.206 -1.935 1
1 238 . 1 1 1 A 25 25 VAL CA C 22 61.540 62.436 -0.896 1
1 239 . 1 1 1 A 25 25 VAL CB C 22 33.771 32.939 0.832 1
1 242 . 1 1 1 A 25 25 VAL N N 22 115.156 124.730 -9.574 1
1 243 . 1 1 1 A 26 26 TRP H H 23 8.581 8.762 -0.181 1
1 244 . 1 1 1 A 26 26 TRP HA H 23 4.430 5.108 -0.678 1
1 253 . 1 1 1 A 26 26 TRP C C 23 174.803 175.832 -1.029 1
1 254 . 1 1 1 A 26 26 TRP CA C 23 56.721 56.767 -0.046 1
1 255 . 1 1 1 A 26 26 TRP CB C 23 30.651 30.483 0.168 1
1 261 . 1 1 1 A 26 26 TRP N N 23 120.570 128.349 -7.779 1
1 263 . 1 1 1 A 27 27 VAL H H 24 9.122 8.837 0.285 1
1 264 . 1 1 1 A 27 27 VAL HA H 24 4.774 4.646 0.128 1
1 272 . 1 1 1 A 27 27 VAL C C 24 173.739 174.027 -0.288 1
1 273 . 1 1 1 A 27 27 VAL CA C 24 60.101 61.440 -1.339 1
1 274 . 1 1 1 A 27 27 VAL CB C 24 34.726 33.002 1.724 1
1 277 . 1 1 1 A 27 27 VAL N N 24 121.265 123.664 -2.399 1
1 278 . 1 1 1 A 28 28 LEU H H 25 8.713 9.111 -0.398 1
1 279 . 1 1 1 A 28 28 LEU HA H 25 5.126 5.490 -0.364 1
1 288 . 1 1 1 A 28 28 LEU C C 25 174.177 174.597 -0.420 1
1 289 . 1 1 1 A 28 28 LEU CA C 25 53.863 53.511 0.352 1
1 290 . 1 1 1 A 28 28 LEU CB C 25 46.227 44.357 1.870 1
1 293 . 1 1 1 A 28 28 LEU N N 25 125.972 129.920 -3.948 1
1 294 . 1 1 1 A 29 29 GLU H H 26 9.283 9.242 0.041 1
1 295 . 1 1 1 A 29 29 GLU HA H 26 5.353 5.398 -0.045 1
1 300 . 1 1 1 A 29 29 GLU C C 26 175.867 175.763 0.104 1
1 301 . 1 1 1 A 29 29 GLU CA C 26 53.883 55.027 -1.144 1
1 302 . 1 1 1 A 29 29 GLU CB C 26 34.594 32.164 2.430 1
1 304 . 1 1 1 A 29 29 GLU N N 26 127.083 128.479 -1.396 1
1 305 . 1 1 1 A 30 30 PHE H H 27 8.761 8.708 0.053 1
1 306 . 1 1 1 A 30 30 PHE HA H 27 4.797 5.601 -0.804 1
1 313 . 1 1 1 A 30 30 PHE C C 27 174.959 172.570 2.389 1
1 314 . 1 1 1 A 30 30 PHE CA C 27 58.160 55.432 2.728 1
1 315 . 1 1 1 A 30 30 PHE CB C 27 40.218 42.275 -2.057 1
1 318 . 1 1 1 A 30 30 PHE N N 27 125.378 121.336 4.042 1
1 319 . 1 1 1 A 31 31 ASP H H 28 8.705 8.473 0.232 1
1 320 . 1 1 1 A 31 31 ASP HA H 28 4.735 4.600 0.135 1
1 323 . 1 1 1 A 31 31 ASP C C 28 175.898 175.019 0.879 1
1 324 . 1 1 1 A 31 31 ASP CA C 28 54.468 53.823 0.645 1
1 325 . 1 1 1 A 31 31 ASP CB C 28 41.529 40.511 1.018 1
1 326 . 1 1 1 A 31 31 ASP N N 28 121.546 121.762 -0.216 1
1 327 . 1 1 1 A 32 32 ALA H H 29 8.527 8.330 0.197 1
1 328 . 1 1 1 A 32 32 ALA HA H 29 4.400 4.800 -0.400 1
1 332 . 1 1 1 A 32 32 ALA C C 29 177.150 176.765 0.385 1
1 333 . 1 1 1 A 32 32 ALA CA C 29 52.027 51.923 0.104 1
1 334 . 1 1 1 A 32 32 ALA CB C 29 20.212 19.107 1.105 1
1 335 . 1 1 1 A 32 32 ALA N N 29 124.632 128.949 -4.317 1
1 336 . 1 1 1 A 33 33 GLU H H 30 8.481 8.615 -0.134 1
1 337 . 1 1 1 A 33 33 GLU HA H 30 4.281 4.462 -0.181 1
1 342 . 1 1 1 A 33 33 GLU C C 30 176.336 175.501 0.835 1
1 343 . 1 1 1 A 33 33 GLU CA C 30 56.309 56.617 -0.308 1
1 344 . 1 1 1 A 33 33 GLU CB C 30 30.309 29.605 0.704 1
1 346 . 1 1 1 A 33 33 GLU N N 30 120.547 124.300 -3.753 1
1 347 . 1 1 1 A 34 34 VAL H H 31 8.140 8.864 -0.724 1
1 348 . 1 1 1 A 34 34 VAL HA H 31 4.332 4.788 -0.456 1
1 353 . 1 1 1 A 34 34 VAL CA C 31 60.006 59.030 0.976 1
1 354 . 1 1 1 A 34 34 VAL CB C 31 32.620 33.338 -0.718 1
1 356 . 1 1 1 A 34 34 VAL N N 31 122.541 126.317 -3.776 1
1 357 . 1 1 1 A 35 35 PRO HA H 32 4.343 4.623 -0.280 1
1 364 . 1 1 1 A 35 35 PRO C C 32 176.649 176.831 -0.182 1
1 365 . 1 1 1 A 35 35 PRO CA C 32 63.167 62.296 0.871 1
1 366 . 1 1 1 A 35 35 PRO CB C 32 31.999 33.097 -1.098 1
1 369 . 1 1 1 A 36 36 ARG H H 33 8.282 8.405 -0.123 1
1 370 . 1 1 1 A 36 36 ARG HA H 33 4.268 4.258 0.010 1
1 377 . 1 1 1 A 36 36 ARG C C 33 176.148 175.595 0.553 1
1 378 . 1 1 1 A 36 36 ARG CA C 33 55.845 56.252 -0.407 1
1 379 . 1 1 1 A 36 36 ARG CB C 33 31.061 29.737 1.324 1
1 382 . 1 1 1 A 36 36 ARG N N 33 121.352 119.755 1.597 1
1 383 . 1 1 1 A 37 37 LYS H H 34 8.256 8.340 -0.084 1
1 384 . 1 1 1 A 37 37 LYS HA H 34 4.265 4.795 -0.530 1
1 391 . 1 1 1 A 37 37 LYS C C 34 176.054 174.636 1.418 1
1 392 . 1 1 1 A 37 37 LYS CA C 34 56.220 55.414 0.806 1
1 393 . 1 1 1 A 37 37 LYS CB C 34 33.103 33.379 -0.276 1
1 396 . 1 1 1 A 37 37 LYS N N 34 122.458 124.120 -1.662 1
1 397 . 1 1 1 A 38 38 ILE H H 35 8.066 8.314 -0.248 1
1 398 . 1 1 1 A 38 38 ILE HA H 35 4.053 4.406 -0.353 1
1 408 . 1 1 1 A 38 38 ILE C C 35 175.397 175.274 0.123 1
1 409 . 1 1 1 A 38 38 ILE CA C 35 60.560 60.147 0.413 1
1 410 . 1 1 1 A 38 38 ILE CB C 35 38.883 39.150 -0.267 1
1 414 . 1 1 1 A 38 38 ILE N N 35 121.996 121.213 0.783 1
1 415 . 1 1 1 A 39 39 ASP H H 36 8.270 8.396 -0.126 1
1 416 . 1 1 1 A 39 39 ASP HA H 36 4.824 4.819 0.005 1
1 419 . 1 1 1 A 39 39 ASP CA C 36 52.138 51.900 0.238 1
1 420 . 1 1 1 A 39 39 ASP CB C 36 42.009 42.516 -0.507 1
1 421 . 1 1 1 A 39 39 ASP N N 36 126.273 125.668 0.605 1
1 422 . 1 1 1 A 40 40 PRO HA H 37 4.295 4.274 0.021 1
1 429 . 1 1 1 A 40 40 PRO C C 37 177.275 178.507 -1.232 1
1 430 . 1 1 1 A 40 40 PRO CA C 37 63.731 64.764 -1.033 1
1 431 . 1 1 1 A 40 40 PRO CB C 37 32.135 32.066 0.069 1
1 434 . 1 1 1 A 41 41 ILE H H 38 8.115 7.287 0.828 1
1 435 . 1 1 1 A 41 41 ILE HA H 38 4.030 3.887 0.143 1
1 445 . 1 1 1 A 41 41 ILE C C 38 176.993 177.958 -0.965 1
1 446 . 1 1 1 A 41 41 ILE CA C 38 61.790 63.987 -2.197 1
1 447 . 1 1 1 A 41 41 ILE CB C 38 38.132 38.053 0.079 1
1 451 . 1 1 1 A 41 41 ILE N N 38 119.202 116.783 2.419 1
1 452 . 1 1 1 A 42 42 MET H H 39 8.189 7.939 0.250 1
1 453 . 1 1 1 A 42 42 MET HA H 39 4.351 4.516 -0.165 1
1 458 . 1 1 1 A 42 42 MET C C 39 176.962 177.076 -0.114 1
1 459 . 1 1 1 A 42 42 MET CA C 39 55.532 55.968 -0.436 1
1 460 . 1 1 1 A 42 42 MET CB C 39 32.249 33.216 -0.967 1
1 462 . 1 1 1 A 42 42 MET N N 39 120.640 118.057 2.583 1
1 463 . 1 1 1 A 43 43 GLY H H 40 8.105 7.993 0.112 1
1 464 . 1 1 1 A 43 43 GLY HA2 H 40 3.931 3.915 0.016 1
1 465 . 1 1 1 A 43 43 GLY HA3 H 40 3.740 3.995 -0.255 1
1 466 . 1 1 1 A 43 43 GLY C C 40 173.707 173.616 0.091 1
1 467 . 1 1 1 A 43 43 GLY CA C 40 45.455 46.994 -1.539 1
1 468 . 1 1 1 A 43 43 GLY N N 40 108.720 107.740 0.980 1
1 469 . 1 1 1 A 44 44 TYR H H 41 7.984 8.802 -0.818 1
1 470 . 1 1 1 A 44 44 TYR HA H 41 4.609 4.731 -0.122 1
1 477 . 1 1 1 A 44 44 TYR C C 41 175.929 174.826 1.103 1
1 478 . 1 1 1 A 44 44 TYR CA C 41 57.847 58.607 -0.760 1
1 479 . 1 1 1 A 44 44 TYR CB C 41 39.008 38.162 0.846 1
1 482 . 1 1 1 A 44 44 TYR N N 41 120.435 123.522 -3.087 1
1 483 . 1 1 1 A 45 45 THR H H 42 8.112 8.681 -0.569 1
1 484 . 1 1 1 A 45 45 THR HA H 42 4.281 4.744 -0.463 1
1 486 . 1 1 1 A 45 45 THR C C 42 177.024 174.499 2.525 1
1 487 . 1 1 1 A 45 45 THR CA C 42 61.540 60.400 1.140 1
1 488 . 1 1 1 A 45 45 THR CB C 42 70.145 70.355 -0.210 1
1 489 . 1 1 1 A 45 45 THR N N 42 116.187 118.740 -2.553 1
1 490 . 1 1 1 A 46 46 SER H H 43 8.447 9.043 -0.596 1
1 491 . 1 1 1 A 46 46 SER N N 43 121.723 124.841 -3.118 1
1 492 . 1 1 1 A 47 47 SER HA H 44 4.224 4.472 -0.248 1
1 495 . 1 1 1 A 47 47 SER CA C 44 59.935 57.760 2.175 1
1 496 . 1 1 1 A 47 47 SER CB C 44 64.763 61.806 2.957 1
1 497 . 1 1 1 A 48 48 SER HA H 45 4.365 4.854 -0.489 1
1 500 . 1 1 1 A 48 48 SER C C 45 174.302 172.590 1.712 1
1 501 . 1 1 1 A 48 48 SER CA C 45 58.704 57.602 1.102 1
1 502 . 1 1 1 A 48 48 SER CB C 45 63.564 64.125 -0.561 1
1 503 . 1 1 1 A 49 49 ASP H H 46 8.198 8.743 -0.545 1
1 504 . 1 1 1 A 49 49 ASP HA H 46 4.553 4.533 0.020 1
1 507 . 1 1 1 A 49 49 ASP C C 46 176.211 177.449 -1.238 1
1 508 . 1 1 1 A 49 49 ASP CA C 46 54.572 54.590 -0.018 1
1 509 . 1 1 1 A 49 49 ASP CB C 46 40.971 43.198 -2.227 1
1 510 . 1 1 1 A 49 49 ASP N N 46 121.811 128.825 -7.014 1
1 511 . 1 1 1 A 50 50 MET H H 47 8.089 8.449 -0.360 1
1 512 . 1 1 1 A 50 50 MET HA H 47 4.374 4.112 0.262 1
1 517 . 1 1 1 A 50 50 MET C C 47 176.100 176.729 -0.629 1
1 518 . 1 1 1 A 50 50 MET CA C 47 55.595 58.560 -2.965 1
1 519 . 1 1 1 A 50 50 MET CB C 47 32.625 32.708 -0.083 1
1 521 . 1 1 1 A 50 50 MET N N 47 120.102 122.557 -2.455 1
1 522 . 1 1 1 A 51 51 LYS H H 48 8.198 7.552 0.646 1
1 523 . 1 1 1 A 51 51 LYS HA H 48 4.343 4.823 -0.480 1
1 532 . 1 1 1 A 51 51 LYS C C 48 176.273 174.918 1.355 1
1 533 . 1 1 1 A 51 51 LYS CA C 48 56.158 54.723 1.435 1
1 534 . 1 1 1 A 51 51 LYS CB C 48 33.042 36.427 -3.385 1
1 538 . 1 1 1 A 51 51 LYS N N 48 121.811 116.409 5.402 1
1 539 . 1 1 1 A 52 52 GLN H H 49 8.372 8.831 -0.459 1
1 540 . 1 1 1 A 52 52 GLN HA H 49 4.330 4.986 -0.656 1
1 545 . 1 1 1 A 52 52 GLN C C 49 175.303 174.600 0.703 1
1 546 . 1 1 1 A 52 52 GLN CA C 49 55.180 53.903 1.277 1
1 547 . 1 1 1 A 52 52 GLN CB C 49 30.017 32.552 -2.535 1
1 549 . 1 1 1 A 52 52 GLN N N 49 120.928 117.796 3.132 1
1 550 . 1 1 1 A 53 53 GLN H H 50 8.366 8.680 -0.314 1
1 551 . 1 1 1 A 53 53 GLN HA H 50 4.455 5.077 -0.622 1
1 558 . 1 1 1 A 53 53 GLN C C 50 175.616 174.874 0.742 1
1 559 . 1 1 1 A 53 53 GLN CA C 50 55.825 54.863 0.962 1
1 560 . 1 1 1 A 53 53 GLN CB C 50 29.988 29.076 0.912 1
1 562 . 1 1 1 A 53 53 GLN N N 50 122.169 119.893 2.276 1
1 564 . 1 1 1 A 54 54 VAL H H 51 8.577 8.276 0.301 1
1 565 . 1 1 1 A 54 54 VAL HA H 51 3.999 4.778 -0.779 1
1 570 . 1 1 1 A 54 54 VAL C C 51 174.678 174.831 -0.153 1
1 571 . 1 1 1 A 54 54 VAL CA C 51 62.792 59.925 2.867 1
1 572 . 1 1 1 A 54 54 VAL CB C 51 32.809 33.633 -0.824 1
1 574 . 1 1 1 A 54 54 VAL N N 51 124.540 120.955 3.585 1
1 575 . 1 1 1 A 55 55 LYS H H 52 8.025 8.949 -0.924 1
1 576 . 1 1 1 A 55 55 LYS HA H 52 5.098 5.574 -0.476 1
1 585 . 1 1 1 A 55 55 LYS C C 52 175.397 174.482 0.915 1
1 586 . 1 1 1 A 55 55 LYS CA C 52 55.259 54.491 0.768 1
1 587 . 1 1 1 A 55 55 LYS CB C 52 35.090 36.226 -1.136 1
1 591 . 1 1 1 A 55 55 LYS N N 52 123.649 120.105 3.544 1
1 592 . 1 1 1 A 56 56 LEU H H 53 8.965 8.934 0.031 1
1 593 . 1 1 1 A 56 56 LEU HA H 53 4.527 5.013 -0.486 1
1 602 . 1 1 1 A 56 56 LEU C C 53 175.272 176.158 -0.886 1
1 603 . 1 1 1 A 56 56 LEU CA C 53 53.385 53.116 0.269 1
1 604 . 1 1 1 A 56 56 LEU CB C 53 45.496 45.514 -0.018 1
1 607 . 1 1 1 A 56 56 LEU N N 53 125.718 123.359 2.359 1
1 608 . 1 1 1 A 57 57 THR H H 54 7.647 8.846 -1.199 1
1 609 . 1 1 1 A 57 57 THR HA H 54 5.197 5.568 -0.371 1
1 614 . 1 1 1 A 57 57 THR C C 54 173.426 173.450 -0.024 1
1 615 . 1 1 1 A 57 57 THR CA C 54 60.016 60.068 -0.052 1
1 616 . 1 1 1 A 57 57 THR CB C 54 71.074 71.035 0.039 1
1 618 . 1 1 1 A 57 57 THR N N 54 110.955 112.409 -1.454 1
1 619 . 1 1 1 A 58 58 PHE H H 55 9.240 9.018 0.222 1
1 620 . 1 1 1 A 58 58 PHE HA H 55 4.703 4.914 -0.211 1
1 626 . 1 1 1 A 58 58 PHE C C 55 175.225 176.057 -0.832 1
1 627 . 1 1 1 A 58 58 PHE CA C 55 56.721 56.300 0.421 1
1 628 . 1 1 1 A 58 58 PHE CB C 55 44.606 42.971 1.635 1
1 631 . 1 1 1 A 58 58 PHE N N 55 119.380 119.877 -0.497 1
1 632 . 1 1 1 A 59 59 GLU H H 56 8.828 8.908 -0.080 1
1 633 . 1 1 1 A 59 59 GLU HA H 56 4.390 4.377 0.013 1
1 638 . 1 1 1 A 59 59 GLU C C 56 176.868 176.676 0.192 1
1 639 . 1 1 1 A 59 59 GLU CA C 56 58.849 58.497 0.352 1
1 640 . 1 1 1 A 59 59 GLU CB C 56 30.977 30.792 0.185 1
1 642 . 1 1 1 A 59 59 GLU N N 56 119.209 121.399 -2.190 1
1 643 . 1 1 1 A 60 60 THR H H 57 7.090 7.548 -0.458 1
1 644 . 1 1 1 A 60 60 THR HA H 57 4.538 4.556 -0.018 1
1 649 . 1 1 1 A 60 60 THR C C 57 173.113 174.618 -1.505 1
1 650 . 1 1 1 A 60 60 THR CA C 57 58.619 59.324 -0.705 1
1 651 . 1 1 1 A 60 60 THR CB C 57 72.972 72.731 0.241 1
1 653 . 1 1 1 A 60 60 THR N N 57 102.317 109.954 -7.637 1
1 654 . 1 1 1 A 61 61 GLN H H 58 7.590 7.795 -0.205 1
1 655 . 1 1 1 A 61 61 GLN HA H 58 2.307 3.241 -0.934 1
1 662 . 1 1 1 A 61 61 GLN C C 58 177.713 177.181 0.532 1
1 663 . 1 1 1 A 61 61 GLN CA C 58 58.692 58.640 0.052 1
1 664 . 1 1 1 A 61 61 GLN CB C 58 27.689 27.679 0.010 1
1 666 . 1 1 1 A 61 61 GLN N N 58 122.133 120.940 1.193 1
1 668 . 1 1 1 A 62 62 GLU H H 59 8.587 8.075 0.512 1
1 669 . 1 1 1 A 62 62 GLU HA H 59 3.673 3.862 -0.189 1
1 674 . 1 1 1 A 62 62 GLU C C 59 179.337 179.244 0.093 1
1 675 . 1 1 1 A 62 62 GLU CA C 59 59.847 59.173 0.674 1
1 676 . 1 1 1 A 62 62 GLU CB C 59 28.578 29.000 -0.422 1
1 678 . 1 1 1 A 62 62 GLU N N 59 117.069 118.628 -1.559 1
1 679 . 1 1 1 A 63 63 GLN H H 60 7.671 7.785 -0.114 1
1 680 . 1 1 1 A 63 63 GLN HA H 60 3.812 3.878 -0.066 1
1 687 . 1 1 1 A 63 63 GLN C C 60 178.339 177.313 1.026 1
1 688 . 1 1 1 A 63 63 GLN CA C 60 58.411 58.376 0.035 1
1 689 . 1 1 1 A 63 63 GLN CB C 60 29.308 27.942 1.366 1
1 691 . 1 1 1 A 63 63 GLN N N 60 118.959 119.501 -0.542 1
1 693 . 1 1 1 A 64 64 ALA H H 61 6.836 7.425 -0.589 1
1 694 . 1 1 1 A 64 64 ALA HA H 61 1.982 3.074 -1.092 1
1 698 . 1 1 1 A 64 64 ALA C C 61 178.151 179.218 -1.067 1
1 699 . 1 1 1 A 64 64 ALA CA C 61 54.112 54.197 -0.085 1
1 700 . 1 1 1 A 64 64 ALA CB C 61 18.627 18.185 0.442 1
1 701 . 1 1 1 A 64 64 ALA N N 61 123.296 122.330 0.966 1
1 702 . 1 1 1 A 65 65 GLU H H 62 8.014 8.041 -0.027 1
1 703 . 1 1 1 A 65 65 GLU HA H 62 2.853 3.526 -0.673 1
1 708 . 1 1 1 A 65 65 GLU C C 62 177.901 178.579 -0.678 1
1 709 . 1 1 1 A 65 65 GLU CA C 62 60.601 58.973 1.628 1
1 710 . 1 1 1 A 65 65 GLU CB C 62 30.597 28.394 2.203 1
1 712 . 1 1 1 A 65 65 GLU N N 62 115.643 116.314 -0.671 1
1 713 . 1 1 1 A 66 66 ALA H H 63 7.954 7.488 0.466 1
1 714 . 1 1 1 A 66 66 ALA HA H 63 3.812 3.997 -0.185 1
1 718 . 1 1 1 A 66 66 ALA C C 63 180.245 179.132 1.113 1
1 719 . 1 1 1 A 66 66 ALA CA C 63 54.968 54.672 0.296 1
1 720 . 1 1 1 A 66 66 ALA CB C 63 17.876 17.879 -0.003 1
1 721 . 1 1 1 A 66 66 ALA N N 63 120.250 121.657 -1.407 1
1 722 . 1 1 1 A 67 67 TYR H H 64 7.373 7.465 -0.092 1
1 723 . 1 1 1 A 67 67 TYR HA H 64 3.789 4.013 -0.224 1
1 730 . 1 1 1 A 67 67 TYR C C 64 176.680 176.401 0.279 1
1 731 . 1 1 1 A 67 67 TYR CA C 64 61.624 61.630 -0.006 1
1 732 . 1 1 1 A 67 67 TYR CB C 64 38.947 38.522 0.425 1
1 735 . 1 1 1 A 67 67 TYR N N 64 119.523 119.795 -0.272 1
1 736 . 1 1 1 A 68 68 ALA H H 65 7.653 7.671 -0.018 1
1 737 . 1 1 1 A 68 68 ALA HA H 65 3.608 3.821 -0.213 1
1 741 . 1 1 1 A 68 68 ALA C C 65 179.650 179.860 -0.210 1
1 742 . 1 1 1 A 68 68 ALA CA C 65 55.407 55.194 0.213 1
1 743 . 1 1 1 A 68 68 ALA CB C 65 18.001 18.038 -0.037 1
1 744 . 1 1 1 A 68 68 ALA N N 65 120.416 121.514 -1.098 1
1 745 . 1 1 1 A 69 69 GLN H H 66 8.491 8.258 0.233 1
1 746 . 1 1 1 A 69 69 GLN HA H 66 4.150 3.902 0.248 1
1 753 . 1 1 1 A 69 69 GLN C C 66 180.119 178.334 1.785 1
1 754 . 1 1 1 A 69 69 GLN CA C 66 58.639 59.080 -0.441 1
1 755 . 1 1 1 A 69 69 GLN CB C 66 28.035 28.311 -0.276 1
1 757 . 1 1 1 A 69 69 GLN N N 66 115.832 117.299 -1.467 1
1 759 . 1 1 1 A 70 70 ARG H H 67 7.962 7.693 0.269 1
1 760 . 1 1 1 A 70 70 ARG HA H 67 3.991 4.027 -0.036 1
1 767 . 1 1 1 A 70 70 ARG C C 67 178.370 178.079 0.291 1
1 768 . 1 1 1 A 70 70 ARG CA C 67 58.849 58.889 -0.040 1
1 769 . 1 1 1 A 70 70 ARG CB C 67 29.735 29.689 0.046 1
1 772 . 1 1 1 A 70 70 ARG N N 67 120.213 119.895 0.318 1
1 773 . 1 1 1 A 71 71 LYS H H 68 7.506 7.320 0.186 1
1 774 . 1 1 1 A 71 71 LYS HA H 68 4.132 4.167 -0.035 1
1 783 . 1 1 1 A 71 71 LYS C C 68 176.712 177.035 -0.323 1
1 784 . 1 1 1 A 71 71 LYS CA C 68 54.781 55.709 -0.928 1
1 785 . 1 1 1 A 71 71 LYS CB C 68 32.447 32.845 -0.398 1
1 789 . 1 1 1 A 71 71 LYS N N 68 115.757 115.957 -0.200 1
1 790 . 1 1 1 A 72 72 GLY H H 69 7.680 7.641 0.039 1
1 791 . 1 1 1 A 72 72 GLY HA2 H 69 3.887 3.930 -0.043 1
1 792 . 1 1 1 A 72 72 GLY HA3 H 69 3.818 3.935 -0.117 1
1 793 . 1 1 1 A 72 72 GLY C C 69 175.415 174.308 1.107 1
1 794 . 1 1 1 A 72 72 GLY CA C 69 46.621 45.216 1.405 1
1 795 . 1 1 1 A 72 72 GLY N N 69 109.542 106.262 3.280 1
1 796 . 1 1 1 A 73 73 ILE H H 70 8.180 7.366 0.814 1
1 797 . 1 1 1 A 73 73 ILE HA H 70 3.951 4.021 -0.070 1
1 805 . 1 1 1 A 73 73 ILE C C 70 175.835 175.598 0.237 1
1 806 . 1 1 1 A 73 73 ILE CA C 70 60.560 61.074 -0.514 1
1 807 . 1 1 1 A 73 73 ILE CB C 70 40.035 37.593 2.442 1
1 810 . 1 1 1 A 73 73 ILE N N 70 121.234 123.089 -1.855 1
1 811 . 1 1 1 A 74 74 GLU H H 71 8.428 8.563 -0.135 1
1 812 . 1 1 1 A 74 74 GLU HA H 71 4.289 4.271 0.018 1
1 817 . 1 1 1 A 74 74 GLU C C 71 175.460 176.462 -1.002 1
1 818 . 1 1 1 A 74 74 GLU CA C 71 56.533 56.819 -0.286 1
1 819 . 1 1 1 A 74 74 GLU CB C 71 29.683 29.843 -0.160 1
1 821 . 1 1 1 A 74 74 GLU N N 71 129.096 128.088 1.008 1
1 822 . 1 1 1 A 75 75 TYR H H 72 8.004 8.640 -0.636 1
1 823 . 1 1 1 A 75 75 TYR HA H 72 5.805 5.833 -0.028 1
1 830 . 1 1 1 A 75 75 TYR C C 72 173.332 172.451 0.881 1
1 831 . 1 1 1 A 75 75 TYR CA C 72 55.323 55.337 -0.014 1
1 832 . 1 1 1 A 75 75 TYR CB C 72 42.290 42.245 0.045 1
1 835 . 1 1 1 A 75 75 TYR N N 72 120.850 117.848 3.002 1
1 836 . 1 1 1 A 76 76 ARG H H 73 7.936 9.149 -1.213 1
1 837 . 1 1 1 A 76 76 ARG HA H 73 4.656 4.980 -0.324 1
1 844 . 1 1 1 A 76 76 ARG C C 73 174.302 174.856 -0.554 1
1 845 . 1 1 1 A 76 76 ARG CA C 73 53.883 54.635 -0.752 1
1 846 . 1 1 1 A 76 76 ARG CB C 73 32.856 33.670 -0.814 1
1 849 . 1 1 1 A 76 76 ARG N N 73 117.640 121.534 -3.894 1
1 850 . 1 1 1 A 77 77 VAL H H 74 8.859 8.878 -0.019 1
1 851 . 1 1 1 A 77 77 VAL HA H 74 4.885 4.694 0.191 1
1 859 . 1 1 1 A 77 77 VAL C C 74 176.023 175.617 0.406 1
1 860 . 1 1 1 A 77 77 VAL CA C 74 61.540 62.440 -0.900 1
1 861 . 1 1 1 A 77 77 VAL CB C 74 32.377 32.373 0.004 1
1 864 . 1 1 1 A 77 77 VAL N N 74 124.091 126.914 -2.823 1
1 865 . 1 1 1 A 78 78 ILE H H 75 9.282 9.474 -0.192 1
1 866 . 1 1 1 A 78 78 ILE HA H 75 4.297 4.801 -0.504 1
1 876 . 1 1 1 A 78 78 ILE C C 75 175.178 175.893 -0.715 1
1 877 . 1 1 1 A 78 78 ILE CA C 75 59.850 60.194 -0.344 1
1 878 . 1 1 1 A 78 78 ILE CB C 75 37.546 38.652 -1.106 1
1 882 . 1 1 1 A 78 78 ILE N N 75 130.317 129.357 0.960 1
1 883 . 1 1 1 A 79 79 LEU H H 76 8.428 8.769 -0.341 1
1 884 . 1 1 1 A 79 79 LEU HA H 76 4.747 4.700 0.047 1
1 894 . 1 1 1 A 79 79 LEU CA C 76 52.672 53.977 -1.305 1
1 895 . 1 1 1 A 79 79 LEU CB C 76 41.865 41.249 0.616 1
1 899 . 1 1 1 A 79 79 LEU N N 76 128.194 129.330 -1.136 1
1 900 . 1 1 1 A 80 80 PRO HA H 77 4.402 4.392 0.010 1
1 907 . 1 1 1 A 80 80 PRO C C 77 177.087 176.438 0.649 1
1 908 . 1 1 1 A 80 80 PRO CA C 77 63.104 62.329 0.775 1
1 909 . 1 1 1 A 80 80 PRO CB C 77 32.145 32.861 -0.716 1
1 912 . 1 1 1 A 81 81 LYS H H 78 8.373 7.953 0.420 1
1 913 . 1 1 1 A 81 81 LYS HA H 78 4.205 4.174 0.031 1
1 922 . 1 1 1 A 81 81 LYS C C 78 174.200 176.991 -2.791 1
1 923 . 1 1 1 A 81 81 LYS CA C 78 57.050 56.990 0.060 1
1 924 . 1 1 1 A 81 81 LYS CB C 78 32.750 31.556 1.194 1
1 928 . 1 1 1 A 81 81 LYS N N 78 121.644 119.846 1.798 1
1 929 . 1 1 1 A 82 82 GLU H H 79 8.452 7.964 0.488 1
1 930 . 1 1 1 A 82 82 GLU HA H 79 4.216 4.573 -0.357 1
1 935 . 1 1 1 A 82 82 GLU C C 79 176.336 176.554 -0.218 1
1 936 . 1 1 1 A 82 82 GLU CA C 79 56.533 56.023 0.510 1
1 937 . 1 1 1 A 82 82 GLU CB C 79 29.996 31.100 -1.104 1
1 939 . 1 1 1 A 82 82 GLU N N 79 121.461 117.512 3.949 1
1 10 . 2 1 1 A 5 5 SER H H 2 8.403 8.735 -0.332 1
1 11 . 2 1 1 A 5 5 SER HA H 2 5.099 5.710 -0.611 1
1 14 . 2 1 1 A 5 5 SER C C 2 173.833 172.991 0.842 1
1 15 . 2 1 1 A 5 5 SER CA C 2 57.556 56.870 0.686 1
1 16 . 2 1 1 A 5 5 SER CB C 2 65.337 65.576 -0.239 1
1 17 . 2 1 1 A 5 5 SER N N 2 116.747 117.451 -0.704 1
1 18 . 2 1 1 A 6 6 ALA H H 3 8.552 9.234 -0.682 1
1 19 . 2 1 1 A 6 6 ALA HA H 3 5.040 5.580 -0.540 1
1 23 . 2 1 1 A 6 6 ALA C C 3 176.117 177.002 -0.885 1
1 24 . 2 1 1 A 6 6 ALA CA C 3 51.500 50.340 1.160 1
1 25 . 2 1 1 A 6 6 ALA CB C 3 23.991 20.893 3.098 1
1 26 . 2 1 1 A 6 6 ALA N N 3 123.072 128.302 -5.230 1
1 27 . 2 1 1 A 7 7 LYS H H 4 8.706 9.392 -0.686 1
1 28 . 2 1 1 A 7 7 LYS HA H 4 5.428 5.493 -0.065 1
1 37 . 2 1 1 A 7 7 LYS C C 4 174.490 175.472 -0.982 1
1 38 . 2 1 1 A 7 7 LYS CA C 4 54.280 55.265 -0.985 1
1 39 . 2 1 1 A 7 7 LYS CB C 4 36.399 34.778 1.621 1
1 43 . 2 1 1 A 7 7 LYS N N 4 117.868 120.450 -2.582 1
1 44 . 2 1 1 A 8 8 ILE H H 5 8.752 9.099 -0.347 1
1 45 . 2 1 1 A 8 8 ILE HA H 5 5.741 5.230 0.511 1
1 55 . 2 1 1 A 8 8 ILE C C 5 174.552 175.106 -0.554 1
1 56 . 2 1 1 A 8 8 ILE CA C 5 59.953 60.670 -0.717 1
1 57 . 2 1 1 A 8 8 ILE CB C 5 41.115 39.217 1.898 1
1 61 . 2 1 1 A 8 8 ILE N N 5 122.521 126.235 -3.714 1
1 62 . 2 1 1 A 9 9 TYR H H 6 8.980 8.717 0.263 1
1 63 . 2 1 1 A 9 9 TYR HA H 6 5.214 5.748 -0.534 1
1 68 . 2 1 1 A 9 9 TYR C C 6 171.856 172.271 -0.415 1
1 69 . 2 1 1 A 9 9 TYR CA C 6 56.053 55.881 0.172 1
1 70 . 2 1 1 A 9 9 TYR CB C 6 40.371 41.216 -0.845 1
1 72 . 2 1 1 A 9 9 TYR N N 6 122.495 124.633 -2.138 1
1 73 . 2 1 1 A 10 10 ARG H H 7 8.830 8.604 0.226 1
1 74 . 2 1 1 A 10 10 ARG HA H 7 4.498 4.544 -0.046 1
1 81 . 2 1 1 A 10 10 ARG CA C 7 51.891 52.075 -0.184 1
1 82 . 2 1 1 A 10 10 ARG CB C 7 30.299 31.797 -1.498 1
1 85 . 2 1 1 A 10 10 ARG N N 7 122.632 120.486 2.146 1
1 86 . 2 1 1 A 11 11 PRO HA H 8 4.369 4.647 -0.278 1
1 93 . 2 1 1 A 11 11 PRO C C 8 176.086 177.210 -1.124 1
1 94 . 2 1 1 A 11 11 PRO CA C 8 62.730 62.802 -0.072 1
1 95 . 2 1 1 A 11 11 PRO CB C 8 32.364 31.290 1.074 1
1 98 . 2 1 1 A 12 12 ALA H H 9 8.384 8.141 0.243 1
1 99 . 2 1 1 A 12 12 ALA HA H 9 4.193 4.293 -0.100 1
1 103 . 2 1 1 A 12 12 ALA C C 9 177.948 177.573 0.375 1
1 104 . 2 1 1 A 12 12 ALA CA C 9 52.406 53.154 -0.748 1
1 105 . 2 1 1 A 12 12 ALA CB C 9 19.441 19.586 -0.145 1
1 106 . 2 1 1 A 12 12 ALA N N 9 124.348 127.174 -2.826 1
1 107 . 2 1 1 A 13 13 LYS H H 10 8.242 7.964 0.278 1
1 108 . 2 1 1 A 13 13 LYS HA H 10 4.289 4.402 -0.113 1
1 117 . 2 1 1 A 13 13 LYS C C 10 176.555 176.603 -0.048 1
1 118 . 2 1 1 A 13 13 LYS CA C 10 56.345 55.781 0.564 1
1 119 . 2 1 1 A 13 13 LYS CB C 10 33.052 31.766 1.286 1
1 123 . 2 1 1 A 13 13 LYS N N 10 120.348 113.841 6.507 1
1 124 . 2 1 1 A 14 14 THR H H 11 7.950 7.251 0.699 1
1 125 . 2 1 1 A 14 14 THR HA H 11 4.320 4.128 0.192 1
1 130 . 2 1 1 A 14 14 THR C C 11 174.302 175.237 -0.935 1
1 131 . 2 1 1 A 14 14 THR CA C 11 61.603 64.394 -2.791 1
1 132 . 2 1 1 A 14 14 THR CB C 11 69.699 69.385 0.314 1
1 134 . 2 1 1 A 14 14 THR N N 11 112.991 117.243 -4.252 1
1 135 . 2 1 1 A 15 15 ALA H H 12 8.189 8.275 -0.086 1
1 136 . 2 1 1 A 15 15 ALA HA H 12 4.250 4.219 0.031 1
1 140 . 2 1 1 A 15 15 ALA C C 12 177.838 177.677 0.161 1
1 141 . 2 1 1 A 15 15 ALA CA C 12 52.840 52.799 0.041 1
1 142 . 2 1 1 A 15 15 ALA CB C 12 19.231 19.167 0.064 1
1 143 . 2 1 1 A 15 15 ALA N N 12 125.979 128.026 -2.047 1
1 144 . 2 1 1 A 16 16 MET H H 13 8.110 8.844 -0.734 1
1 145 . 2 1 1 A 16 16 MET HA H 13 4.374 4.402 -0.028 1
1 150 . 2 1 1 A 16 16 MET C C 13 176.148 175.811 0.337 1
1 151 . 2 1 1 A 16 16 MET CA C 13 55.595 54.396 1.199 1
1 152 . 2 1 1 A 16 16 MET CB C 13 32.625 32.150 0.475 1
1 154 . 2 1 1 A 16 16 MET N N 13 118.186 120.958 -2.772 1
1 155 . 2 1 1 A 17 17 GLN H H 14 8.198 8.459 -0.261 1
1 156 . 2 1 1 A 17 17 GLN HA H 14 4.273 4.447 -0.174 1
1 161 . 2 1 1 A 17 17 GLN C C 14 175.992 175.824 0.168 1
1 162 . 2 1 1 A 17 17 GLN CA C 14 56.032 54.902 1.130 1
1 163 . 2 1 1 A 17 17 GLN CB C 14 29.371 26.822 2.549 1
1 165 . 2 1 1 A 17 17 GLN N N 14 121.811 125.462 -3.651 1
1 166 . 2 1 1 A 18 18 SER H H 15 8.275 8.408 -0.133 1
1 167 . 2 1 1 A 18 18 SER HA H 15 4.379 4.421 -0.042 1
1 170 . 2 1 1 A 18 18 SER C C 15 175.053 176.329 -1.276 1
1 171 . 2 1 1 A 18 18 SER CA C 15 58.536 60.836 -2.300 1
1 172 . 2 1 1 A 18 18 SER CB C 15 63.856 63.375 0.481 1
1 173 . 2 1 1 A 18 18 SER N N 15 116.768 120.828 -4.060 1
1 174 . 2 1 1 A 19 19 GLY H H 16 8.430 7.919 0.511 1
1 175 . 2 1 1 A 19 19 GLY HA2 H 16 4.031 3.930 0.101 1
1 176 . 2 1 1 A 19 19 GLY HA3 H 16 3.906 3.931 -0.025 1
1 177 . 2 1 1 A 19 19 GLY C C 16 174.490 173.495 0.995 1
1 178 . 2 1 1 A 19 19 GLY CA C 16 45.580 45.402 0.178 1
1 179 . 2 1 1 A 19 19 GLY N N 16 111.050 108.366 2.684 1
1 180 . 2 1 1 A 20 20 THR H H 17 7.950 7.655 0.295 1
1 181 . 2 1 1 A 20 20 THR HA H 17 4.289 4.735 -0.446 1
1 185 . 2 1 1 A 20 20 THR C C 17 174.427 172.113 2.314 1
1 186 . 2 1 1 A 20 20 THR CA C 17 61.477 60.602 0.875 1
1 188 . 2 1 1 A 20 20 THR N N 17 112.991 113.717 -0.726 1
1 189 . 2 1 1 A 21 21 ALA H H 18 8.247 8.422 -0.175 1
1 190 . 2 1 1 A 21 21 ALA N N 18 125.213 127.366 -2.153 1
1 191 . 2 1 1 A 22 22 LYS HA H 19 4.265 4.248 0.017 1
1 200 . 2 1 1 A 22 22 LYS C C 19 176.774 176.685 0.089 1
1 201 . 2 1 1 A 22 22 LYS CA C 19 56.596 57.036 -0.440 1
1 202 . 2 1 1 A 22 22 LYS CB C 19 33.126 32.954 0.172 1
1 206 . 2 1 1 A 23 23 THR H H 20 8.004 8.580 -0.576 1
1 207 . 2 1 1 A 23 23 THR HA H 20 4.333 4.449 -0.116 1
1 212 . 2 1 1 A 23 23 THR C C 20 174.083 174.051 0.032 1
1 213 . 2 1 1 A 23 23 THR CA C 20 61.682 61.434 0.248 1
1 214 . 2 1 1 A 23 23 THR CB C 20 69.908 70.077 -0.169 1
1 216 . 2 1 1 A 23 23 THR N N 20 113.978 114.562 -0.584 1
1 217 . 2 1 1 A 24 24 ASN H H 21 8.289 8.580 -0.291 1
1 218 . 2 1 1 A 24 24 ASN HA H 21 4.689 4.893 -0.204 1
1 223 . 2 1 1 A 24 24 ASN C C 21 174.177 175.240 -1.063 1
1 224 . 2 1 1 A 24 24 ASN CA C 21 52.966 53.363 -0.397 1
1 225 . 2 1 1 A 24 24 ASN CB C 21 38.404 38.280 0.124 1
1 226 . 2 1 1 A 24 24 ASN N N 21 118.085 119.880 -1.795 1
1 228 . 2 1 1 A 25 25 VAL H H 22 7.381 8.117 -0.736 1
1 229 . 2 1 1 A 25 25 VAL HA H 22 4.336 4.874 -0.538 1
1 237 . 2 1 1 A 25 25 VAL C C 22 174.271 175.771 -1.500 1
1 238 . 2 1 1 A 25 25 VAL CA C 22 61.540 60.036 1.504 1
1 239 . 2 1 1 A 25 25 VAL CB C 22 33.771 34.105 -0.334 1
1 242 . 2 1 1 A 25 25 VAL N N 22 115.156 118.871 -3.715 1
1 243 . 2 1 1 A 26 26 TRP H H 23 8.581 9.074 -0.493 1
1 244 . 2 1 1 A 26 26 TRP HA H 23 4.430 5.348 -0.918 1
1 253 . 2 1 1 A 26 26 TRP C C 23 174.803 175.424 -0.621 1
1 254 . 2 1 1 A 26 26 TRP CA C 23 56.721 56.440 0.281 1
1 255 . 2 1 1 A 26 26 TRP CB C 23 30.651 30.394 0.257 1
1 261 . 2 1 1 A 26 26 TRP N N 23 120.570 121.154 -0.584 1
1 263 . 2 1 1 A 27 27 VAL H H 24 9.122 8.773 0.349 1
1 264 . 2 1 1 A 27 27 VAL HA H 24 4.774 4.717 0.057 1
1 272 . 2 1 1 A 27 27 VAL C C 24 173.739 173.881 -0.142 1
1 273 . 2 1 1 A 27 27 VAL CA C 24 60.101 61.360 -1.259 1
1 274 . 2 1 1 A 27 27 VAL CB C 24 34.726 33.404 1.322 1
1 277 . 2 1 1 A 27 27 VAL N N 24 121.265 123.101 -1.836 1
1 278 . 2 1 1 A 28 28 LEU H H 25 8.713 9.080 -0.367 1
1 279 . 2 1 1 A 28 28 LEU HA H 25 5.126 5.352 -0.226 1
1 288 . 2 1 1 A 28 28 LEU C C 25 174.177 174.654 -0.477 1
1 289 . 2 1 1 A 28 28 LEU CA C 25 53.863 53.501 0.362 1
1 290 . 2 1 1 A 28 28 LEU CB C 25 46.227 44.812 1.415 1
1 293 . 2 1 1 A 28 28 LEU N N 25 125.972 129.825 -3.853 1
1 294 . 2 1 1 A 29 29 GLU H H 26 9.283 9.182 0.101 1
1 295 . 2 1 1 A 29 29 GLU HA H 26 5.353 5.629 -0.276 1
1 300 . 2 1 1 A 29 29 GLU C C 26 175.867 175.234 0.633 1
1 301 . 2 1 1 A 29 29 GLU CA C 26 53.883 54.935 -1.052 1
1 302 . 2 1 1 A 29 29 GLU CB C 26 34.594 33.418 1.176 1
1 304 . 2 1 1 A 29 29 GLU N N 26 127.083 128.565 -1.482 1
1 305 . 2 1 1 A 30 30 PHE H H 27 8.761 8.848 -0.087 1
1 306 . 2 1 1 A 30 30 PHE HA H 27 4.797 5.359 -0.562 1
1 313 . 2 1 1 A 30 30 PHE C C 27 174.959 173.188 1.771 1
1 314 . 2 1 1 A 30 30 PHE CA C 27 58.160 55.618 2.542 1
1 315 . 2 1 1 A 30 30 PHE CB C 27 40.218 41.964 -1.746 1
1 318 . 2 1 1 A 30 30 PHE N N 27 125.378 121.525 3.853 1
1 319 . 2 1 1 A 31 31 ASP H H 28 8.705 8.614 0.091 1
1 320 . 2 1 1 A 31 31 ASP HA H 28 4.735 4.579 0.156 1
1 323 . 2 1 1 A 31 31 ASP C C 28 175.898 176.063 -0.165 1
1 324 . 2 1 1 A 31 31 ASP CA C 28 54.468 54.447 0.021 1
1 325 . 2 1 1 A 31 31 ASP CB C 28 41.529 41.027 0.502 1
1 326 . 2 1 1 A 31 31 ASP N N 28 121.546 120.295 1.251 1
1 327 . 2 1 1 A 32 32 ALA H H 29 8.527 8.564 -0.037 1
1 328 . 2 1 1 A 32 32 ALA HA H 29 4.400 4.218 0.182 1
1 332 . 2 1 1 A 32 32 ALA C C 29 177.150 178.996 -1.846 1
1 333 . 2 1 1 A 32 32 ALA CA C 29 52.027 52.513 -0.486 1
1 334 . 2 1 1 A 32 32 ALA CB C 29 20.212 19.067 1.145 1
1 335 . 2 1 1 A 32 32 ALA N N 29 124.632 126.441 -1.809 1
1 336 . 2 1 1 A 33 33 GLU H H 30 8.481 8.928 -0.447 1
1 337 . 2 1 1 A 33 33 GLU HA H 30 4.281 4.568 -0.287 1
1 342 . 2 1 1 A 33 33 GLU C C 30 176.336 176.656 -0.320 1
1 343 . 2 1 1 A 33 33 GLU CA C 30 56.309 55.929 0.380 1
1 344 . 2 1 1 A 33 33 GLU CB C 30 30.309 29.476 0.833 1
1 346 . 2 1 1 A 33 33 GLU N N 30 120.547 118.952 1.595 1
1 347 . 2 1 1 A 34 34 VAL H H 31 8.140 7.452 0.688 1
1 348 . 2 1 1 A 34 34 VAL HA H 31 4.332 4.244 0.088 1
1 353 . 2 1 1 A 34 34 VAL CA C 31 60.006 60.601 -0.595 1
1 354 . 2 1 1 A 34 34 VAL CB C 31 32.620 32.766 -0.146 1
1 356 . 2 1 1 A 34 34 VAL N N 31 122.541 121.873 0.668 1
1 357 . 2 1 1 A 35 35 PRO HA H 32 4.343 4.771 -0.428 1
1 364 . 2 1 1 A 35 35 PRO C C 32 176.649 177.085 -0.436 1
1 365 . 2 1 1 A 35 35 PRO CA C 32 63.167 62.268 0.899 1
1 366 . 2 1 1 A 35 35 PRO CB C 32 31.999 33.197 -1.198 1
1 369 . 2 1 1 A 36 36 ARG H H 33 8.282 8.757 -0.475 1
1 370 . 2 1 1 A 36 36 ARG HA H 33 4.268 3.951 0.317 1
1 377 . 2 1 1 A 36 36 ARG C C 33 176.148 176.229 -0.081 1
1 378 . 2 1 1 A 36 36 ARG CA C 33 55.845 58.835 -2.990 1
1 379 . 2 1 1 A 36 36 ARG CB C 33 31.061 29.576 1.485 1
1 382 . 2 1 1 A 36 36 ARG N N 33 121.352 119.547 1.805 1
1 383 . 2 1 1 A 37 37 LYS H H 34 8.256 7.631 0.625 1
1 384 . 2 1 1 A 37 37 LYS HA H 34 4.265 4.323 -0.058 1
1 391 . 2 1 1 A 37 37 LYS C C 34 176.054 174.347 1.707 1
1 392 . 2 1 1 A 37 37 LYS CA C 34 56.220 55.427 0.793 1
1 393 . 2 1 1 A 37 37 LYS CB C 34 33.103 31.113 1.990 1
1 396 . 2 1 1 A 37 37 LYS N N 34 122.458 120.922 1.536 1
1 397 . 2 1 1 A 38 38 ILE H H 35 8.066 8.182 -0.116 1
1 398 . 2 1 1 A 38 38 ILE HA H 35 4.053 4.563 -0.510 1
1 408 . 2 1 1 A 38 38 ILE C C 35 175.397 175.715 -0.318 1
1 409 . 2 1 1 A 38 38 ILE CA C 35 60.560 60.191 0.369 1
1 410 . 2 1 1 A 38 38 ILE CB C 35 38.883 39.553 -0.670 1
1 414 . 2 1 1 A 38 38 ILE N N 35 121.996 125.969 -3.973 1
1 415 . 2 1 1 A 39 39 ASP H H 36 8.270 8.731 -0.461 1
1 416 . 2 1 1 A 39 39 ASP HA H 36 4.824 4.625 0.199 1
1 419 . 2 1 1 A 39 39 ASP CA C 36 52.138 52.717 -0.579 1
1 420 . 2 1 1 A 39 39 ASP CB C 36 42.009 40.504 1.505 1
1 421 . 2 1 1 A 39 39 ASP N N 36 126.273 126.074 0.199 1
1 422 . 2 1 1 A 40 40 PRO HA H 37 4.295 4.455 -0.160 1
1 429 . 2 1 1 A 40 40 PRO C C 37 177.275 178.786 -1.511 1
1 430 . 2 1 1 A 40 40 PRO CA C 37 63.731 64.587 -0.856 1
1 431 . 2 1 1 A 40 40 PRO CB C 37 32.135 32.124 0.011 1
1 434 . 2 1 1 A 41 41 ILE H H 38 8.115 7.583 0.532 1
1 435 . 2 1 1 A 41 41 ILE HA H 38 4.030 3.858 0.172 1
1 445 . 2 1 1 A 41 41 ILE C C 38 176.993 177.962 -0.969 1
1 446 . 2 1 1 A 41 41 ILE CA C 38 61.790 64.342 -2.552 1
1 447 . 2 1 1 A 41 41 ILE CB C 38 38.132 37.953 0.179 1
1 451 . 2 1 1 A 41 41 ILE N N 38 119.202 117.196 2.006 1
1 452 . 2 1 1 A 42 42 MET H H 39 8.189 7.656 0.533 1
1 453 . 2 1 1 A 42 42 MET HA H 39 4.351 4.307 0.044 1
1 458 . 2 1 1 A 42 42 MET C C 39 176.962 176.390 0.572 1
1 459 . 2 1 1 A 42 42 MET CA C 39 55.532 56.863 -1.331 1
1 460 . 2 1 1 A 42 42 MET CB C 39 32.249 33.145 -0.896 1
1 462 . 2 1 1 A 42 42 MET N N 39 120.640 118.848 1.792 1
1 463 . 2 1 1 A 43 43 GLY H H 40 8.105 7.344 0.761 1
1 464 . 2 1 1 A 43 43 GLY HA2 H 40 3.931 4.044 -0.113 1
1 465 . 2 1 1 A 43 43 GLY HA3 H 40 3.740 4.065 -0.325 1
1 466 . 2 1 1 A 43 43 GLY C C 40 173.707 171.884 1.823 1
1 467 . 2 1 1 A 43 43 GLY CA C 40 45.455 45.837 -0.382 1
1 468 . 2 1 1 A 43 43 GLY N N 40 108.720 104.333 4.387 1
1 469 . 2 1 1 A 44 44 TYR H H 41 7.984 8.800 -0.816 1
1 470 . 2 1 1 A 44 44 TYR HA H 41 4.609 4.726 -0.117 1
1 477 . 2 1 1 A 44 44 TYR C C 41 175.929 174.719 1.210 1
1 478 . 2 1 1 A 44 44 TYR CA C 41 57.847 56.396 1.451 1
1 479 . 2 1 1 A 44 44 TYR CB C 41 39.008 38.255 0.753 1
1 482 . 2 1 1 A 44 44 TYR N N 41 120.435 124.832 -4.397 1
1 483 . 2 1 1 A 45 45 THR H H 42 8.112 7.847 0.265 1
1 484 . 2 1 1 A 45 45 THR HA H 42 4.281 4.767 -0.486 1
1 486 . 2 1 1 A 45 45 THR C C 42 177.024 175.447 1.577 1
1 487 . 2 1 1 A 45 45 THR CA C 42 61.540 60.189 1.351 1
1 488 . 2 1 1 A 45 45 THR CB C 42 70.145 70.550 -0.405 1
1 489 . 2 1 1 A 45 45 THR N N 42 116.187 117.913 -1.726 1
1 490 . 2 1 1 A 46 46 SER H H 43 8.447 8.892 -0.445 1
1 491 . 2 1 1 A 46 46 SER N N 43 121.723 120.199 1.524 1
1 492 . 2 1 1 A 47 47 SER HA H 44 4.224 4.097 0.127 1
1 495 . 2 1 1 A 47 47 SER CA C 44 59.935 59.005 0.930 1
1 496 . 2 1 1 A 47 47 SER CB C 44 64.763 61.391 3.372 1
1 497 . 2 1 1 A 48 48 SER HA H 45 4.365 4.481 -0.116 1
1 500 . 2 1 1 A 48 48 SER C C 45 174.302 173.920 0.382 1
1 501 . 2 1 1 A 48 48 SER CA C 45 58.704 58.722 -0.018 1
1 502 . 2 1 1 A 48 48 SER CB C 45 63.564 64.210 -0.646 1
1 503 . 2 1 1 A 49 49 ASP H H 46 8.198 7.697 0.501 1
1 504 . 2 1 1 A 49 49 ASP HA H 46 4.553 4.952 -0.399 1
1 507 . 2 1 1 A 49 49 ASP C C 46 176.211 175.939 0.272 1
1 508 . 2 1 1 A 49 49 ASP CA C 46 54.572 52.914 1.658 1
1 509 . 2 1 1 A 49 49 ASP CB C 46 40.971 42.507 -1.536 1
1 510 . 2 1 1 A 49 49 ASP N N 46 121.811 121.086 0.725 1
1 511 . 2 1 1 A 50 50 MET H H 47 8.089 8.542 -0.453 1
1 512 . 2 1 1 A 50 50 MET HA H 47 4.374 4.680 -0.306 1
1 517 . 2 1 1 A 50 50 MET C C 47 176.100 175.639 0.461 1
1 518 . 2 1 1 A 50 50 MET CA C 47 55.595 54.644 0.951 1
1 519 . 2 1 1 A 50 50 MET CB C 47 32.625 34.447 -1.822 1
1 521 . 2 1 1 A 50 50 MET N N 47 120.102 119.725 0.377 1
1 522 . 2 1 1 A 51 51 LYS H H 48 8.198 8.436 -0.238 1
1 523 . 2 1 1 A 51 51 LYS HA H 48 4.343 4.663 -0.320 1
1 532 . 2 1 1 A 51 51 LYS C C 48 176.273 176.610 -0.337 1
1 533 . 2 1 1 A 51 51 LYS CA C 48 56.158 54.816 1.342 1
1 534 . 2 1 1 A 51 51 LYS CB C 48 33.042 34.137 -1.095 1
1 538 . 2 1 1 A 51 51 LYS N N 48 121.811 120.006 1.805 1
1 539 . 2 1 1 A 52 52 GLN H H 49 8.372 8.440 -0.068 1
1 540 . 2 1 1 A 52 52 GLN HA H 49 4.330 4.274 0.056 1
1 545 . 2 1 1 A 52 52 GLN C C 49 175.303 175.646 -0.343 1
1 546 . 2 1 1 A 52 52 GLN CA C 49 55.180 55.043 0.137 1
1 547 . 2 1 1 A 52 52 GLN CB C 49 30.017 29.317 0.700 1
1 549 . 2 1 1 A 52 52 GLN N N 49 120.928 123.118 -2.190 1
1 550 . 2 1 1 A 53 53 GLN H H 50 8.366 8.356 0.010 1
1 551 . 2 1 1 A 53 53 GLN HA H 50 4.455 4.452 0.003 1
1 558 . 2 1 1 A 53 53 GLN C C 50 175.616 175.644 -0.028 1
1 559 . 2 1 1 A 53 53 GLN CA C 50 55.825 55.486 0.339 1
1 560 . 2 1 1 A 53 53 GLN CB C 50 29.988 29.449 0.539 1
1 562 . 2 1 1 A 53 53 GLN N N 50 122.169 118.745 3.424 1
1 564 . 2 1 1 A 54 54 VAL H H 51 8.577 8.657 -0.080 1
1 565 . 2 1 1 A 54 54 VAL HA H 51 3.999 4.829 -0.830 1
1 570 . 2 1 1 A 54 54 VAL C C 51 174.678 174.251 0.427 1
1 571 . 2 1 1 A 54 54 VAL CA C 51 62.792 58.972 3.820 1
1 572 . 2 1 1 A 54 54 VAL CB C 51 32.809 35.830 -3.021 1
1 574 . 2 1 1 A 54 54 VAL N N 51 124.540 116.040 8.500 1
1 575 . 2 1 1 A 55 55 LYS H H 52 8.025 9.054 -1.029 1
1 576 . 2 1 1 A 55 55 LYS HA H 52 5.098 5.461 -0.363 1
1 585 . 2 1 1 A 55 55 LYS C C 52 175.397 174.910 0.487 1
1 586 . 2 1 1 A 55 55 LYS CA C 52 55.259 54.548 0.711 1
1 587 . 2 1 1 A 55 55 LYS CB C 52 35.090 36.116 -1.026 1
1 591 . 2 1 1 A 55 55 LYS N N 52 123.649 121.659 1.990 1
1 592 . 2 1 1 A 56 56 LEU H H 53 8.965 9.054 -0.089 1
1 593 . 2 1 1 A 56 56 LEU HA H 53 4.527 5.057 -0.530 1
1 602 . 2 1 1 A 56 56 LEU C C 53 175.272 176.032 -0.760 1
1 603 . 2 1 1 A 56 56 LEU CA C 53 53.385 53.618 -0.233 1
1 604 . 2 1 1 A 56 56 LEU CB C 53 45.496 45.475 0.021 1
1 607 . 2 1 1 A 56 56 LEU N N 53 125.718 124.654 1.064 1
1 608 . 2 1 1 A 57 57 THR H H 54 7.647 8.755 -1.108 1
1 609 . 2 1 1 A 57 57 THR HA H 54 5.197 5.536 -0.339 1
1 614 . 2 1 1 A 57 57 THR C C 54 173.426 173.471 -0.045 1
1 615 . 2 1 1 A 57 57 THR CA C 54 60.016 60.375 -0.359 1
1 616 . 2 1 1 A 57 57 THR CB C 54 71.074 70.916 0.158 1
1 618 . 2 1 1 A 57 57 THR N N 54 110.955 113.164 -2.209 1
1 619 . 2 1 1 A 58 58 PHE H H 55 9.240 9.223 0.017 1
1 620 . 2 1 1 A 58 58 PHE HA H 55 4.703 4.958 -0.255 1
1 626 . 2 1 1 A 58 58 PHE C C 55 175.225 176.109 -0.884 1
1 627 . 2 1 1 A 58 58 PHE CA C 55 56.721 56.174 0.547 1
1 628 . 2 1 1 A 58 58 PHE CB C 55 44.606 42.673 1.933 1
1 631 . 2 1 1 A 58 58 PHE N N 55 119.380 121.090 -1.710 1
1 632 . 2 1 1 A 59 59 GLU H H 56 8.828 8.902 -0.074 1
1 633 . 2 1 1 A 59 59 GLU HA H 56 4.390 4.331 0.059 1
1 638 . 2 1 1 A 59 59 GLU C C 56 176.868 176.709 0.159 1
1 639 . 2 1 1 A 59 59 GLU CA C 56 58.849 58.525 0.324 1
1 640 . 2 1 1 A 59 59 GLU CB C 56 30.977 30.664 0.313 1
1 642 . 2 1 1 A 59 59 GLU N N 56 119.209 121.627 -2.418 1
1 643 . 2 1 1 A 60 60 THR H H 57 7.090 7.513 -0.423 1
1 644 . 2 1 1 A 60 60 THR HA H 57 4.538 4.501 0.037 1
1 649 . 2 1 1 A 60 60 THR C C 57 173.113 175.017 -1.904 1
1 650 . 2 1 1 A 60 60 THR CA C 57 58.619 59.477 -0.858 1
1 651 . 2 1 1 A 60 60 THR CB C 57 72.972 72.710 0.262 1
1 653 . 2 1 1 A 60 60 THR N N 57 102.317 109.970 -7.653 1
1 654 . 2 1 1 A 61 61 GLN H H 58 7.590 7.827 -0.237 1
1 655 . 2 1 1 A 61 61 GLN HA H 58 2.307 3.418 -1.111 1
1 662 . 2 1 1 A 61 61 GLN C C 58 177.713 177.221 0.492 1
1 663 . 2 1 1 A 61 61 GLN CA C 58 58.692 58.837 -0.145 1
1 664 . 2 1 1 A 61 61 GLN CB C 58 27.689 27.467 0.222 1
1 666 . 2 1 1 A 61 61 GLN N N 58 122.133 121.098 1.035 1
1 668 . 2 1 1 A 62 62 GLU H H 59 8.587 7.931 0.656 1
1 669 . 2 1 1 A 62 62 GLU HA H 59 3.673 3.898 -0.225 1
1 674 . 2 1 1 A 62 62 GLU C C 59 179.337 179.486 -0.149 1
1 675 . 2 1 1 A 62 62 GLU CA C 59 59.847 59.148 0.699 1
1 676 . 2 1 1 A 62 62 GLU CB C 59 28.578 29.142 -0.564 1
1 678 . 2 1 1 A 62 62 GLU N N 59 117.069 118.866 -1.797 1
1 679 . 2 1 1 A 63 63 GLN H H 60 7.671 7.491 0.180 1
1 680 . 2 1 1 A 63 63 GLN HA H 60 3.812 3.931 -0.119 1
1 687 . 2 1 1 A 63 63 GLN C C 60 178.339 177.531 0.808 1
1 688 . 2 1 1 A 63 63 GLN CA C 60 58.411 58.851 -0.440 1
1 689 . 2 1 1 A 63 63 GLN CB C 60 29.308 28.801 0.507 1
1 691 . 2 1 1 A 63 63 GLN N N 60 118.959 119.077 -0.118 1
1 693 . 2 1 1 A 64 64 ALA H H 61 6.836 7.500 -0.664 1
1 694 . 2 1 1 A 64 64 ALA HA H 61 1.982 2.888 -0.906 1
1 698 . 2 1 1 A 64 64 ALA C C 61 178.151 179.198 -1.047 1
1 699 . 2 1 1 A 64 64 ALA CA C 61 54.112 54.277 -0.165 1
1 700 . 2 1 1 A 64 64 ALA CB C 61 18.627 18.101 0.526 1
1 701 . 2 1 1 A 64 64 ALA N N 61 123.296 121.949 1.347 1
1 702 . 2 1 1 A 65 65 GLU H H 62 8.014 8.142 -0.128 1
1 703 . 2 1 1 A 65 65 GLU HA H 62 2.853 3.435 -0.582 1
1 708 . 2 1 1 A 65 65 GLU C C 62 177.901 178.445 -0.544 1
1 709 . 2 1 1 A 65 65 GLU CA C 62 60.601 58.904 1.697 1
1 710 . 2 1 1 A 65 65 GLU CB C 62 30.597 28.743 1.854 1
1 712 . 2 1 1 A 65 65 GLU N N 62 115.643 116.344 -0.701 1
1 713 . 2 1 1 A 66 66 ALA H H 63 7.954 7.753 0.201 1
1 714 . 2 1 1 A 66 66 ALA HA H 63 3.812 4.017 -0.205 1
1 718 . 2 1 1 A 66 66 ALA C C 63 180.245 179.341 0.904 1
1 719 . 2 1 1 A 66 66 ALA CA C 63 54.968 54.779 0.189 1
1 720 . 2 1 1 A 66 66 ALA CB C 63 17.876 18.245 -0.369 1
1 721 . 2 1 1 A 66 66 ALA N N 63 120.250 121.790 -1.540 1
1 722 . 2 1 1 A 67 67 TYR H H 64 7.373 7.375 -0.002 1
1 723 . 2 1 1 A 67 67 TYR HA H 64 3.789 4.098 -0.309 1
1 730 . 2 1 1 A 67 67 TYR C C 64 176.680 177.002 -0.322 1
1 731 . 2 1 1 A 67 67 TYR CA C 64 61.624 61.624 0.000 1
1 732 . 2 1 1 A 67 67 TYR CB C 64 38.947 38.247 0.700 1
1 735 . 2 1 1 A 67 67 TYR N N 64 119.523 119.904 -0.381 1
1 736 . 2 1 1 A 68 68 ALA H H 65 7.653 7.934 -0.281 1
1 737 . 2 1 1 A 68 68 ALA HA H 65 3.608 3.771 -0.163 1
1 741 . 2 1 1 A 68 68 ALA C C 65 179.650 179.803 -0.153 1
1 742 . 2 1 1 A 68 68 ALA CA C 65 55.407 55.225 0.182 1
1 743 . 2 1 1 A 68 68 ALA CB C 65 18.001 17.663 0.338 1
1 744 . 2 1 1 A 68 68 ALA N N 65 120.416 121.591 -1.175 1
1 745 . 2 1 1 A 69 69 GLN H H 66 8.491 8.083 0.408 1
1 746 . 2 1 1 A 69 69 GLN HA H 66 4.150 3.959 0.191 1
1 753 . 2 1 1 A 69 69 GLN C C 66 180.119 178.489 1.630 1
1 754 . 2 1 1 A 69 69 GLN CA C 66 58.639 58.914 -0.275 1
1 755 . 2 1 1 A 69 69 GLN CB C 66 28.035 28.536 -0.501 1
1 757 . 2 1 1 A 69 69 GLN N N 66 115.832 117.326 -1.494 1
1 759 . 2 1 1 A 70 70 ARG H H 67 7.962 7.948 0.014 1
1 760 . 2 1 1 A 70 70 ARG HA H 67 3.991 3.961 0.030 1
1 767 . 2 1 1 A 70 70 ARG C C 67 178.370 177.972 0.398 1
1 768 . 2 1 1 A 70 70 ARG CA C 67 58.849 59.078 -0.229 1
1 769 . 2 1 1 A 70 70 ARG CB C 67 29.735 29.735 0.000 1
1 772 . 2 1 1 A 70 70 ARG N N 67 120.213 120.321 -0.108 1
1 773 . 2 1 1 A 71 71 LYS H H 68 7.506 7.188 0.318 1
1 774 . 2 1 1 A 71 71 LYS HA H 68 4.132 4.186 -0.054 1
1 783 . 2 1 1 A 71 71 LYS C C 68 176.712 176.878 -0.166 1
1 784 . 2 1 1 A 71 71 LYS CA C 68 54.781 55.827 -1.046 1
1 785 . 2 1 1 A 71 71 LYS CB C 68 32.447 33.005 -0.558 1
1 789 . 2 1 1 A 71 71 LYS N N 68 115.757 115.725 0.032 1
1 790 . 2 1 1 A 72 72 GLY H H 69 7.680 7.747 -0.067 1
1 791 . 2 1 1 A 72 72 GLY HA2 H 69 3.887 3.931 -0.044 1
1 792 . 2 1 1 A 72 72 GLY HA3 H 69 3.818 3.940 -0.122 1
1 793 . 2 1 1 A 72 72 GLY C C 69 175.415 174.368 1.047 1
1 794 . 2 1 1 A 72 72 GLY CA C 69 46.621 45.016 1.605 1
1 795 . 2 1 1 A 72 72 GLY N N 69 109.542 105.691 3.851 1
1 796 . 2 1 1 A 73 73 ILE H H 70 8.180 7.496 0.684 1
1 797 . 2 1 1 A 73 73 ILE HA H 70 3.951 3.927 0.024 1
1 805 . 2 1 1 A 73 73 ILE C C 70 175.835 175.945 -0.110 1
1 806 . 2 1 1 A 73 73 ILE CA C 70 60.560 61.476 -0.916 1
1 807 . 2 1 1 A 73 73 ILE CB C 70 40.035 38.011 2.024 1
1 810 . 2 1 1 A 73 73 ILE N N 70 121.234 123.065 -1.831 1
1 811 . 2 1 1 A 74 74 GLU H H 71 8.428 8.444 -0.016 1
1 812 . 2 1 1 A 74 74 GLU HA H 71 4.289 4.235 0.054 1
1 817 . 2 1 1 A 74 74 GLU C C 71 175.460 176.316 -0.856 1
1 818 . 2 1 1 A 74 74 GLU CA C 71 56.533 56.855 -0.322 1
1 819 . 2 1 1 A 74 74 GLU CB C 71 29.683 29.973 -0.290 1
1 821 . 2 1 1 A 74 74 GLU N N 71 129.096 127.295 1.801 1
1 822 . 2 1 1 A 75 75 TYR H H 72 8.004 8.620 -0.616 1
1 823 . 2 1 1 A 75 75 TYR HA H 72 5.805 5.804 0.001 1
1 830 . 2 1 1 A 75 75 TYR C C 72 173.332 172.298 1.034 1
1 831 . 2 1 1 A 75 75 TYR CA C 72 55.323 55.546 -0.223 1
1 832 . 2 1 1 A 75 75 TYR CB C 72 42.290 42.182 0.108 1
1 835 . 2 1 1 A 75 75 TYR N N 72 120.850 118.343 2.507 1
1 836 . 2 1 1 A 76 76 ARG H H 73 7.936 9.101 -1.165 1
1 837 . 2 1 1 A 76 76 ARG HA H 73 4.656 5.044 -0.388 1
1 844 . 2 1 1 A 76 76 ARG C C 73 174.302 175.547 -1.245 1
1 845 . 2 1 1 A 76 76 ARG CA C 73 53.883 54.422 -0.539 1
1 846 . 2 1 1 A 76 76 ARG CB C 73 32.856 33.623 -0.767 1
1 849 . 2 1 1 A 76 76 ARG N N 73 117.640 121.353 -3.713 1
1 850 . 2 1 1 A 77 77 VAL H H 74 8.859 9.072 -0.213 1
1 851 . 2 1 1 A 77 77 VAL HA H 74 4.885 5.223 -0.338 1
1 859 . 2 1 1 A 77 77 VAL C C 74 176.023 174.963 1.060 1
1 860 . 2 1 1 A 77 77 VAL CA C 74 61.540 61.017 0.523 1
1 861 . 2 1 1 A 77 77 VAL CB C 74 32.377 33.812 -1.435 1
1 864 . 2 1 1 A 77 77 VAL N N 74 124.091 121.552 2.539 1
1 865 . 2 1 1 A 78 78 ILE H H 75 9.282 9.713 -0.431 1
1 866 . 2 1 1 A 78 78 ILE HA H 75 4.297 4.960 -0.663 1
1 876 . 2 1 1 A 78 78 ILE C C 75 175.178 175.394 -0.216 1
1 877 . 2 1 1 A 78 78 ILE CA C 75 59.850 59.670 0.180 1
1 878 . 2 1 1 A 78 78 ILE CB C 75 37.546 41.161 -3.615 1
1 882 . 2 1 1 A 78 78 ILE N N 75 130.317 127.544 2.773 1
1 883 . 2 1 1 A 79 79 LEU H H 76 8.428 8.930 -0.502 1
1 884 . 2 1 1 A 79 79 LEU HA H 76 4.747 4.746 0.001 1
1 894 . 2 1 1 A 79 79 LEU CA C 76 52.672 53.566 -0.894 1
1 895 . 2 1 1 A 79 79 LEU CB C 76 41.865 41.367 0.498 1
1 899 . 2 1 1 A 79 79 LEU N N 76 128.194 129.127 -0.933 1
1 900 . 2 1 1 A 80 80 PRO HA H 77 4.402 4.503 -0.101 1
1 907 . 2 1 1 A 80 80 PRO C C 77 177.087 177.807 -0.720 1
1 908 . 2 1 1 A 80 80 PRO CA C 77 63.104 62.529 0.575 1
1 909 . 2 1 1 A 80 80 PRO CB C 77 32.145 32.384 -0.239 1
1 912 . 2 1 1 A 81 81 LYS H H 78 8.373 8.499 -0.126 1
1 913 . 2 1 1 A 81 81 LYS HA H 78 4.205 3.990 0.215 1
1 922 . 2 1 1 A 81 81 LYS C C 78 174.200 178.271 -4.071 1
1 923 . 2 1 1 A 81 81 LYS CA C 78 57.050 58.909 -1.859 1
1 924 . 2 1 1 A 81 81 LYS CB C 78 32.750 31.874 0.876 1
1 928 . 2 1 1 A 81 81 LYS N N 78 121.644 121.996 -0.352 1
1 929 . 2 1 1 A 82 82 GLU H H 79 8.452 8.655 -0.203 1
1 930 . 2 1 1 A 82 82 GLU HA H 79 4.216 4.103 0.113 1
1 935 . 2 1 1 A 82 82 GLU C C 79 176.336 178.494 -2.158 1
1 936 . 2 1 1 A 82 82 GLU CA C 79 56.533 58.912 -2.379 1
1 937 . 2 1 1 A 82 82 GLU CB C 79 29.996 28.709 1.287 1
1 939 . 2 1 1 A 82 82 GLU N N 79 121.461 120.104 1.357 1
1 10 . 3 1 1 A 5 5 SER H H 2 8.403 8.797 -0.394 1
1 11 . 3 1 1 A 5 5 SER HA H 2 5.099 5.764 -0.665 1
1 14 . 3 1 1 A 5 5 SER C C 2 173.833 173.392 0.441 1
1 15 . 3 1 1 A 5 5 SER CA C 2 57.556 57.766 -0.210 1
1 16 . 3 1 1 A 5 5 SER CB C 2 65.337 65.261 0.076 1
1 17 . 3 1 1 A 5 5 SER N N 2 116.747 117.999 -1.252 1
1 18 . 3 1 1 A 6 6 ALA H H 3 8.552 9.265 -0.713 1
1 19 . 3 1 1 A 6 6 ALA HA H 3 5.040 5.567 -0.527 1
1 23 . 3 1 1 A 6 6 ALA C C 3 176.117 176.950 -0.833 1
1 24 . 3 1 1 A 6 6 ALA CA C 3 51.500 50.363 1.137 1
1 25 . 3 1 1 A 6 6 ALA CB C 3 23.991 21.070 2.921 1
1 26 . 3 1 1 A 6 6 ALA N N 3 123.072 129.785 -6.713 1
1 27 . 3 1 1 A 7 7 LYS H H 4 8.706 9.446 -0.740 1
1 28 . 3 1 1 A 7 7 LYS HA H 4 5.428 5.392 0.036 1
1 37 . 3 1 1 A 7 7 LYS C C 4 174.490 175.550 -1.060 1
1 38 . 3 1 1 A 7 7 LYS CA C 4 54.280 55.272 -0.992 1
1 39 . 3 1 1 A 7 7 LYS CB C 4 36.399 34.485 1.914 1
1 43 . 3 1 1 A 7 7 LYS N N 4 117.868 120.501 -2.633 1
1 44 . 3 1 1 A 8 8 ILE H H 5 8.752 8.970 -0.218 1
1 45 . 3 1 1 A 8 8 ILE HA H 5 5.741 5.146 0.595 1
1 55 . 3 1 1 A 8 8 ILE C C 5 174.552 174.991 -0.439 1
1 56 . 3 1 1 A 8 8 ILE CA C 5 59.953 60.723 -0.770 1
1 57 . 3 1 1 A 8 8 ILE CB C 5 41.115 38.950 2.165 1
1 61 . 3 1 1 A 8 8 ILE N N 5 122.521 126.124 -3.603 1
1 62 . 3 1 1 A 9 9 TYR H H 6 8.980 8.860 0.120 1
1 63 . 3 1 1 A 9 9 TYR HA H 6 5.214 5.566 -0.352 1
1 68 . 3 1 1 A 9 9 TYR C C 6 171.856 172.511 -0.655 1
1 69 . 3 1 1 A 9 9 TYR CA C 6 56.053 55.848 0.205 1
1 70 . 3 1 1 A 9 9 TYR CB C 6 40.371 41.539 -1.168 1
1 72 . 3 1 1 A 9 9 TYR N N 6 122.495 124.745 -2.250 1
1 73 . 3 1 1 A 10 10 ARG H H 7 8.830 8.514 0.316 1
1 74 . 3 1 1 A 10 10 ARG HA H 7 4.498 4.657 -0.159 1
1 81 . 3 1 1 A 10 10 ARG CA C 7 51.891 52.625 -0.734 1
1 82 . 3 1 1 A 10 10 ARG CB C 7 30.299 31.450 -1.151 1
1 85 . 3 1 1 A 10 10 ARG N N 7 122.632 120.669 1.963 1
1 86 . 3 1 1 A 11 11 PRO HA H 8 4.369 4.806 -0.437 1
1 93 . 3 1 1 A 11 11 PRO C C 8 176.086 175.863 0.223 1
1 94 . 3 1 1 A 11 11 PRO CA C 8 62.730 62.280 0.450 1
1 95 . 3 1 1 A 11 11 PRO CB C 8 32.364 33.400 -1.036 1
1 98 . 3 1 1 A 12 12 ALA H H 9 8.384 8.322 0.062 1
1 99 . 3 1 1 A 12 12 ALA HA H 9 4.193 4.527 -0.334 1
1 103 . 3 1 1 A 12 12 ALA C C 9 177.948 177.860 0.088 1
1 104 . 3 1 1 A 12 12 ALA CA C 9 52.406 51.417 0.989 1
1 105 . 3 1 1 A 12 12 ALA CB C 9 19.441 19.426 0.015 1
1 106 . 3 1 1 A 12 12 ALA N N 9 124.348 121.593 2.755 1
1 107 . 3 1 1 A 13 13 LYS H H 10 8.242 7.831 0.411 1
1 108 . 3 1 1 A 13 13 LYS HA H 10 4.289 4.085 0.204 1
1 117 . 3 1 1 A 13 13 LYS C C 10 176.555 176.832 -0.277 1
1 118 . 3 1 1 A 13 13 LYS CA C 10 56.345 58.419 -2.074 1
1 119 . 3 1 1 A 13 13 LYS CB C 10 33.052 32.281 0.771 1
1 123 . 3 1 1 A 13 13 LYS N N 10 120.348 119.092 1.256 1
1 124 . 3 1 1 A 14 14 THR H H 11 7.950 7.508 0.442 1
1 125 . 3 1 1 A 14 14 THR HA H 11 4.320 4.308 0.012 1
1 130 . 3 1 1 A 14 14 THR C C 11 174.302 173.895 0.407 1
1 131 . 3 1 1 A 14 14 THR CA C 11 61.603 62.040 -0.437 1
1 132 . 3 1 1 A 14 14 THR CB C 11 69.699 68.448 1.251 1
1 134 . 3 1 1 A 14 14 THR N N 11 112.991 110.488 2.503 1
1 135 . 3 1 1 A 15 15 ALA H H 12 8.189 8.046 0.143 1
1 136 . 3 1 1 A 15 15 ALA HA H 12 4.250 4.419 -0.169 1
1 140 . 3 1 1 A 15 15 ALA C C 12 177.838 177.142 0.696 1
1 141 . 3 1 1 A 15 15 ALA CA C 12 52.840 51.529 1.311 1
1 142 . 3 1 1 A 15 15 ALA CB C 12 19.231 20.127 -0.896 1
1 143 . 3 1 1 A 15 15 ALA N N 12 125.979 129.324 -3.345 1
1 144 . 3 1 1 A 16 16 MET H H 13 8.110 8.725 -0.615 1
1 145 . 3 1 1 A 16 16 MET HA H 13 4.374 4.521 -0.147 1
1 150 . 3 1 1 A 16 16 MET C C 13 176.148 174.788 1.360 1
1 151 . 3 1 1 A 16 16 MET CA C 13 55.595 54.309 1.286 1
1 152 . 3 1 1 A 16 16 MET CB C 13 32.625 30.972 1.653 1
1 154 . 3 1 1 A 16 16 MET N N 13 118.186 118.275 -0.089 1
1 155 . 3 1 1 A 17 17 GLN H H 14 8.198 8.320 -0.122 1
1 156 . 3 1 1 A 17 17 GLN HA H 14 4.273 4.520 -0.247 1
1 161 . 3 1 1 A 17 17 GLN C C 14 175.992 175.942 0.050 1
1 162 . 3 1 1 A 17 17 GLN CA C 14 56.032 54.675 1.357 1
1 163 . 3 1 1 A 17 17 GLN CB C 14 29.371 30.053 -0.682 1
1 165 . 3 1 1 A 17 17 GLN N N 14 121.811 124.903 -3.092 1
1 166 . 3 1 1 A 18 18 SER H H 15 8.275 9.210 -0.935 1
1 167 . 3 1 1 A 18 18 SER HA H 15 4.379 4.098 0.281 1
1 170 . 3 1 1 A 18 18 SER C C 15 175.053 173.541 1.512 1
1 171 . 3 1 1 A 18 18 SER CA C 15 58.536 59.188 -0.652 1
1 172 . 3 1 1 A 18 18 SER CB C 15 63.856 62.166 1.690 1
1 173 . 3 1 1 A 18 18 SER N N 15 116.768 122.569 -5.801 1
1 174 . 3 1 1 A 19 19 GLY H H 16 8.430 8.331 0.099 1
1 175 . 3 1 1 A 19 19 GLY HA2 H 16 4.031 3.923 0.108 1
1 176 . 3 1 1 A 19 19 GLY HA3 H 16 3.906 3.924 -0.018 1
1 177 . 3 1 1 A 19 19 GLY C C 16 174.490 174.180 0.310 1
1 178 . 3 1 1 A 19 19 GLY CA C 16 45.580 45.108 0.472 1
1 179 . 3 1 1 A 19 19 GLY N N 16 111.050 106.141 4.909 1
1 180 . 3 1 1 A 20 20 THR H H 17 7.950 7.376 0.574 1
1 181 . 3 1 1 A 20 20 THR HA H 17 4.289 4.381 -0.092 1
1 185 . 3 1 1 A 20 20 THR C C 17 174.427 174.201 0.226 1
1 186 . 3 1 1 A 20 20 THR CA C 17 61.477 62.171 -0.694 1
1 188 . 3 1 1 A 20 20 THR N N 17 112.991 115.787 -2.796 1
1 189 . 3 1 1 A 21 21 ALA H H 18 8.247 8.626 -0.379 1
1 190 . 3 1 1 A 21 21 ALA N N 18 125.213 129.649 -4.436 1
1 191 . 3 1 1 A 22 22 LYS HA H 19 4.265 4.181 0.084 1
1 200 . 3 1 1 A 22 22 LYS C C 19 176.774 176.764 0.010 1
1 201 . 3 1 1 A 22 22 LYS CA C 19 56.596 58.297 -1.701 1
1 202 . 3 1 1 A 22 22 LYS CB C 19 33.126 32.635 0.491 1
1 206 . 3 1 1 A 23 23 THR H H 20 8.004 7.623 0.381 1
1 207 . 3 1 1 A 23 23 THR HA H 20 4.333 4.738 -0.405 1
1 212 . 3 1 1 A 23 23 THR C C 20 174.083 173.574 0.509 1
1 213 . 3 1 1 A 23 23 THR CA C 20 61.682 60.553 1.129 1
1 214 . 3 1 1 A 23 23 THR CB C 20 69.908 70.734 -0.826 1
1 216 . 3 1 1 A 23 23 THR N N 20 113.978 110.301 3.677 1
1 217 . 3 1 1 A 24 24 ASN H H 21 8.289 8.771 -0.482 1
1 218 . 3 1 1 A 24 24 ASN HA H 21 4.689 5.182 -0.493 1
1 223 . 3 1 1 A 24 24 ASN C C 21 174.177 175.423 -1.246 1
1 224 . 3 1 1 A 24 24 ASN CA C 21 52.966 53.204 -0.238 1
1 225 . 3 1 1 A 24 24 ASN CB C 21 38.404 38.640 -0.236 1
1 226 . 3 1 1 A 24 24 ASN N N 21 118.085 123.040 -4.955 1
1 228 . 3 1 1 A 25 25 VAL H H 22 7.381 8.234 -0.853 1
1 229 . 3 1 1 A 25 25 VAL HA H 22 4.336 4.353 -0.017 1
1 237 . 3 1 1 A 25 25 VAL C C 22 174.271 175.371 -1.100 1
1 238 . 3 1 1 A 25 25 VAL CA C 22 61.540 61.100 0.440 1
1 239 . 3 1 1 A 25 25 VAL CB C 22 33.771 33.575 0.196 1
1 242 . 3 1 1 A 25 25 VAL N N 22 115.156 120.166 -5.010 1
1 243 . 3 1 1 A 26 26 TRP H H 23 8.581 8.894 -0.313 1
1 244 . 3 1 1 A 26 26 TRP HA H 23 4.430 5.051 -0.621 1
1 253 . 3 1 1 A 26 26 TRP C C 23 174.803 175.883 -1.080 1
1 254 . 3 1 1 A 26 26 TRP CA C 23 56.721 56.828 -0.107 1
1 255 . 3 1 1 A 26 26 TRP CB C 23 30.651 30.654 -0.003 1
1 261 . 3 1 1 A 26 26 TRP N N 23 120.570 121.955 -1.385 1
1 263 . 3 1 1 A 27 27 VAL H H 24 9.122 8.777 0.345 1
1 264 . 3 1 1 A 27 27 VAL HA H 24 4.774 4.608 0.166 1
1 272 . 3 1 1 A 27 27 VAL C C 24 173.739 173.999 -0.260 1
1 273 . 3 1 1 A 27 27 VAL CA C 24 60.101 61.392 -1.291 1
1 274 . 3 1 1 A 27 27 VAL CB C 24 34.726 33.352 1.374 1
1 277 . 3 1 1 A 27 27 VAL N N 24 121.265 123.364 -2.099 1
1 278 . 3 1 1 A 28 28 LEU H H 25 8.713 9.065 -0.352 1
1 279 . 3 1 1 A 28 28 LEU HA H 25 5.126 5.275 -0.149 1
1 288 . 3 1 1 A 28 28 LEU C C 25 174.177 174.665 -0.488 1
1 289 . 3 1 1 A 28 28 LEU CA C 25 53.863 53.514 0.349 1
1 290 . 3 1 1 A 28 28 LEU CB C 25 46.227 44.623 1.604 1
1 293 . 3 1 1 A 28 28 LEU N N 25 125.972 129.673 -3.701 1
1 294 . 3 1 1 A 29 29 GLU H H 26 9.283 9.220 0.063 1
1 295 . 3 1 1 A 29 29 GLU HA H 26 5.353 5.541 -0.188 1
1 300 . 3 1 1 A 29 29 GLU C C 26 175.867 175.499 0.368 1
1 301 . 3 1 1 A 29 29 GLU CA C 26 53.883 54.902 -1.019 1
1 302 . 3 1 1 A 29 29 GLU CB C 26 34.594 33.220 1.374 1
1 304 . 3 1 1 A 29 29 GLU N N 26 127.083 128.655 -1.572 1
1 305 . 3 1 1 A 30 30 PHE H H 27 8.761 8.809 -0.048 1
1 306 . 3 1 1 A 30 30 PHE HA H 27 4.797 5.277 -0.480 1
1 313 . 3 1 1 A 30 30 PHE C C 27 174.959 173.239 1.720 1
1 314 . 3 1 1 A 30 30 PHE CA C 27 58.160 55.817 2.343 1
1 315 . 3 1 1 A 30 30 PHE CB C 27 40.218 41.906 -1.688 1
1 318 . 3 1 1 A 30 30 PHE N N 27 125.378 121.545 3.833 1
1 319 . 3 1 1 A 31 31 ASP H H 28 8.705 8.610 0.095 1
1 320 . 3 1 1 A 31 31 ASP HA H 28 4.735 4.523 0.212 1
1 323 . 3 1 1 A 31 31 ASP C C 28 175.898 176.059 -0.161 1
1 324 . 3 1 1 A 31 31 ASP CA C 28 54.468 54.702 -0.234 1
1 325 . 3 1 1 A 31 31 ASP CB C 28 41.529 41.057 0.472 1
1 326 . 3 1 1 A 31 31 ASP N N 28 121.546 120.302 1.244 1
1 327 . 3 1 1 A 32 32 ALA H H 29 8.527 8.454 0.073 1
1 328 . 3 1 1 A 32 32 ALA HA H 29 4.400 4.253 0.147 1
1 332 . 3 1 1 A 32 32 ALA C C 29 177.150 179.172 -2.022 1
1 333 . 3 1 1 A 32 32 ALA CA C 29 52.027 52.788 -0.761 1
1 334 . 3 1 1 A 32 32 ALA CB C 29 20.212 19.165 1.047 1
1 335 . 3 1 1 A 32 32 ALA N N 29 124.632 126.076 -1.444 1
1 336 . 3 1 1 A 33 33 GLU H H 30 8.481 9.161 -0.680 1
1 337 . 3 1 1 A 33 33 GLU HA H 30 4.281 4.456 -0.175 1
1 342 . 3 1 1 A 33 33 GLU C C 30 176.336 175.615 0.721 1
1 343 . 3 1 1 A 33 33 GLU CA C 30 56.309 56.564 -0.255 1
1 344 . 3 1 1 A 33 33 GLU CB C 30 30.309 29.119 1.190 1
1 346 . 3 1 1 A 33 33 GLU N N 30 120.547 120.489 0.058 1
1 347 . 3 1 1 A 34 34 VAL H H 31 8.140 7.575 0.565 1
1 348 . 3 1 1 A 34 34 VAL HA H 31 4.332 4.773 -0.441 1
1 353 . 3 1 1 A 34 34 VAL CA C 31 60.006 58.608 1.398 1
1 354 . 3 1 1 A 34 34 VAL CB C 31 32.620 34.250 -1.630 1
1 356 . 3 1 1 A 34 34 VAL N N 31 122.541 120.567 1.974 1
1 357 . 3 1 1 A 35 35 PRO HA H 32 4.343 4.718 -0.375 1
1 364 . 3 1 1 A 35 35 PRO C C 32 176.649 176.437 0.212 1
1 365 . 3 1 1 A 35 35 PRO CA C 32 63.167 62.195 0.972 1
1 366 . 3 1 1 A 35 35 PRO CB C 32 31.999 33.255 -1.256 1
1 369 . 3 1 1 A 36 36 ARG H H 33 8.282 8.481 -0.199 1
1 370 . 3 1 1 A 36 36 ARG HA H 33 4.268 4.335 -0.067 1
1 377 . 3 1 1 A 36 36 ARG C C 33 176.148 175.840 0.308 1
1 378 . 3 1 1 A 36 36 ARG CA C 33 55.845 55.915 -0.070 1
1 379 . 3 1 1 A 36 36 ARG CB C 33 31.061 29.654 1.407 1
1 382 . 3 1 1 A 36 36 ARG N N 33 121.352 117.845 3.507 1
1 383 . 3 1 1 A 37 37 LYS H H 34 8.256 7.644 0.612 1
1 384 . 3 1 1 A 37 37 LYS HA H 34 4.265 4.427 -0.162 1
1 391 . 3 1 1 A 37 37 LYS C C 34 176.054 175.004 1.050 1
1 392 . 3 1 1 A 37 37 LYS CA C 34 56.220 55.413 0.807 1
1 393 . 3 1 1 A 37 37 LYS CB C 34 33.103 30.866 2.237 1
1 396 . 3 1 1 A 37 37 LYS N N 34 122.458 121.639 0.819 1
1 397 . 3 1 1 A 38 38 ILE H H 35 8.066 8.312 -0.246 1
1 398 . 3 1 1 A 38 38 ILE HA H 35 4.053 4.949 -0.896 1
1 408 . 3 1 1 A 38 38 ILE C C 35 175.397 173.725 1.672 1
1 409 . 3 1 1 A 38 38 ILE CA C 35 60.560 58.768 1.792 1
1 410 . 3 1 1 A 38 38 ILE CB C 35 38.883 42.264 -3.381 1
1 414 . 3 1 1 A 38 38 ILE N N 35 121.996 120.517 1.479 1
1 415 . 3 1 1 A 39 39 ASP H H 36 8.270 8.415 -0.145 1
1 416 . 3 1 1 A 39 39 ASP HA H 36 4.824 5.134 -0.310 1
1 419 . 3 1 1 A 39 39 ASP CA C 36 52.138 51.177 0.961 1
1 420 . 3 1 1 A 39 39 ASP CB C 36 42.009 41.675 0.334 1
1 421 . 3 1 1 A 39 39 ASP N N 36 126.273 122.009 4.264 1
1 422 . 3 1 1 A 40 40 PRO HA H 37 4.295 4.264 0.031 1
1 429 . 3 1 1 A 40 40 PRO C C 37 177.275 178.850 -1.575 1
1 430 . 3 1 1 A 40 40 PRO CA C 37 63.731 65.324 -1.593 1
1 431 . 3 1 1 A 40 40 PRO CB C 37 32.135 31.794 0.341 1
1 434 . 3 1 1 A 41 41 ILE H H 38 8.115 7.544 0.571 1
1 435 . 3 1 1 A 41 41 ILE HA H 38 4.030 3.852 0.178 1
1 445 . 3 1 1 A 41 41 ILE C C 38 176.993 178.277 -1.284 1
1 446 . 3 1 1 A 41 41 ILE CA C 38 61.790 64.077 -2.287 1
1 447 . 3 1 1 A 41 41 ILE CB C 38 38.132 37.529 0.603 1
1 451 . 3 1 1 A 41 41 ILE N N 38 119.202 116.805 2.397 1
1 452 . 3 1 1 A 42 42 MET H H 39 8.189 7.905 0.284 1
1 453 . 3 1 1 A 42 42 MET HA H 39 4.351 4.355 -0.004 1
1 458 . 3 1 1 A 42 42 MET C C 39 176.962 177.021 -0.059 1
1 459 . 3 1 1 A 42 42 MET CA C 39 55.532 56.832 -1.300 1
1 460 . 3 1 1 A 42 42 MET CB C 39 32.249 32.603 -0.354 1
1 462 . 3 1 1 A 42 42 MET N N 39 120.640 119.189 1.451 1
1 463 . 3 1 1 A 43 43 GLY H H 40 8.105 7.657 0.448 1
1 464 . 3 1 1 A 43 43 GLY HA2 H 40 3.931 3.974 -0.043 1
1 465 . 3 1 1 A 43 43 GLY HA3 H 40 3.740 3.982 -0.242 1
1 466 . 3 1 1 A 43 43 GLY C C 40 173.707 173.984 -0.277 1
1 467 . 3 1 1 A 43 43 GLY CA C 40 45.455 46.201 -0.746 1
1 468 . 3 1 1 A 43 43 GLY N N 40 108.720 107.963 0.757 1
1 469 . 3 1 1 A 44 44 TYR H H 41 7.984 8.152 -0.168 1
1 470 . 3 1 1 A 44 44 TYR HA H 41 4.609 4.637 -0.028 1
1 477 . 3 1 1 A 44 44 TYR C C 41 175.929 176.075 -0.146 1
1 478 . 3 1 1 A 44 44 TYR CA C 41 57.847 57.771 0.076 1
1 479 . 3 1 1 A 44 44 TYR CB C 41 39.008 38.468 0.540 1
1 482 . 3 1 1 A 44 44 TYR N N 41 120.435 121.394 -0.959 1
1 483 . 3 1 1 A 45 45 THR H H 42 8.112 8.120 -0.008 1
1 484 . 3 1 1 A 45 45 THR HA H 42 4.281 4.057 0.224 1
1 486 . 3 1 1 A 45 45 THR C C 42 177.024 176.885 0.139 1
1 487 . 3 1 1 A 45 45 THR CA C 42 61.540 64.933 -3.393 1
1 488 . 3 1 1 A 45 45 THR CB C 42 70.145 68.463 1.682 1
1 489 . 3 1 1 A 45 45 THR N N 42 116.187 113.650 2.537 1
1 490 . 3 1 1 A 46 46 SER H H 43 8.447 7.987 0.460 1
1 491 . 3 1 1 A 46 46 SER N N 43 121.723 117.185 4.538 1
1 492 . 3 1 1 A 47 47 SER HA H 44 4.224 4.451 -0.227 1
1 495 . 3 1 1 A 47 47 SER CA C 44 59.935 57.161 2.774 1
1 496 . 3 1 1 A 47 47 SER CB C 44 64.763 60.987 3.776 1
1 497 . 3 1 1 A 48 48 SER HA H 45 4.365 4.307 0.058 1
1 500 . 3 1 1 A 48 48 SER C C 45 174.302 173.298 1.004 1
1 501 . 3 1 1 A 48 48 SER CA C 45 58.704 57.580 1.124 1
1 502 . 3 1 1 A 48 48 SER CB C 45 63.564 63.114 0.450 1
1 503 . 3 1 1 A 49 49 ASP H H 46 8.198 8.665 -0.467 1
1 504 . 3 1 1 A 49 49 ASP HA H 46 4.553 4.695 -0.142 1
1 507 . 3 1 1 A 49 49 ASP C C 46 176.211 175.608 0.603 1
1 508 . 3 1 1 A 49 49 ASP CA C 46 54.572 54.349 0.223 1
1 509 . 3 1 1 A 49 49 ASP CB C 46 40.971 41.943 -0.972 1
1 510 . 3 1 1 A 49 49 ASP N N 46 121.811 128.567 -6.756 1
1 511 . 3 1 1 A 50 50 MET H H 47 8.089 8.763 -0.674 1
1 512 . 3 1 1 A 50 50 MET HA H 47 4.374 4.580 -0.206 1
1 517 . 3 1 1 A 50 50 MET C C 47 176.100 176.534 -0.434 1
1 518 . 3 1 1 A 50 50 MET CA C 47 55.595 58.078 -2.483 1
1 519 . 3 1 1 A 50 50 MET CB C 47 32.625 34.621 -1.996 1
1 521 . 3 1 1 A 50 50 MET N N 47 120.102 123.759 -3.657 1
1 522 . 3 1 1 A 51 51 LYS H H 48 8.198 7.627 0.571 1
1 523 . 3 1 1 A 51 51 LYS HA H 48 4.343 4.720 -0.377 1
1 532 . 3 1 1 A 51 51 LYS C C 48 176.273 175.368 0.905 1
1 533 . 3 1 1 A 51 51 LYS CA C 48 56.158 55.617 0.541 1
1 534 . 3 1 1 A 51 51 LYS CB C 48 33.042 32.776 0.266 1
1 538 . 3 1 1 A 51 51 LYS N N 48 121.811 113.047 8.764 1
1 539 . 3 1 1 A 52 52 GLN H H 49 8.372 8.548 -0.176 1
1 540 . 3 1 1 A 52 52 GLN HA H 49 4.330 4.260 0.070 1
1 545 . 3 1 1 A 52 52 GLN C C 49 175.303 175.729 -0.426 1
1 546 . 3 1 1 A 52 52 GLN CA C 49 55.180 56.189 -1.009 1
1 547 . 3 1 1 A 52 52 GLN CB C 49 30.017 29.163 0.854 1
1 549 . 3 1 1 A 52 52 GLN N N 49 120.928 122.358 -1.430 1
1 550 . 3 1 1 A 53 53 GLN H H 50 8.366 8.594 -0.228 1
1 551 . 3 1 1 A 53 53 GLN HA H 50 4.455 4.497 -0.042 1
1 558 . 3 1 1 A 53 53 GLN C C 50 175.616 175.916 -0.300 1
1 559 . 3 1 1 A 53 53 GLN CA C 50 55.825 55.900 -0.075 1
1 560 . 3 1 1 A 53 53 GLN CB C 50 29.988 29.058 0.930 1
1 562 . 3 1 1 A 53 53 GLN N N 50 122.169 122.779 -0.610 1
1 564 . 3 1 1 A 54 54 VAL H H 51 8.577 8.658 -0.081 1
1 565 . 3 1 1 A 54 54 VAL HA H 51 3.999 4.842 -0.843 1
1 570 . 3 1 1 A 54 54 VAL C C 51 174.678 174.206 0.472 1
1 571 . 3 1 1 A 54 54 VAL CA C 51 62.792 58.857 3.935 1
1 572 . 3 1 1 A 54 54 VAL CB C 51 32.809 35.752 -2.943 1
1 574 . 3 1 1 A 54 54 VAL N N 51 124.540 118.623 5.917 1
1 575 . 3 1 1 A 55 55 LYS H H 52 8.025 8.929 -0.904 1
1 576 . 3 1 1 A 55 55 LYS HA H 52 5.098 5.557 -0.459 1
1 585 . 3 1 1 A 55 55 LYS C C 52 175.397 174.684 0.713 1
1 586 . 3 1 1 A 55 55 LYS CA C 52 55.259 54.494 0.765 1
1 587 . 3 1 1 A 55 55 LYS CB C 52 35.090 36.050 -0.960 1
1 591 . 3 1 1 A 55 55 LYS N N 52 123.649 121.408 2.241 1
1 592 . 3 1 1 A 56 56 LEU H H 53 8.965 9.012 -0.047 1
1 593 . 3 1 1 A 56 56 LEU HA H 53 4.527 5.122 -0.595 1
1 602 . 3 1 1 A 56 56 LEU C C 53 175.272 176.010 -0.738 1
1 603 . 3 1 1 A 56 56 LEU CA C 53 53.385 53.570 -0.185 1
1 604 . 3 1 1 A 56 56 LEU CB C 53 45.496 44.728 0.768 1
1 607 . 3 1 1 A 56 56 LEU N N 53 125.718 124.585 1.133 1
1 608 . 3 1 1 A 57 57 THR H H 54 7.647 8.699 -1.052 1
1 609 . 3 1 1 A 57 57 THR HA H 54 5.197 5.488 -0.291 1
1 614 . 3 1 1 A 57 57 THR C C 54 173.426 173.332 0.094 1
1 615 . 3 1 1 A 57 57 THR CA C 54 60.016 60.177 -0.161 1
1 616 . 3 1 1 A 57 57 THR CB C 54 71.074 70.637 0.437 1
1 618 . 3 1 1 A 57 57 THR N N 54 110.955 113.253 -2.298 1
1 619 . 3 1 1 A 58 58 PHE H H 55 9.240 8.939 0.301 1
1 620 . 3 1 1 A 58 58 PHE HA H 55 4.703 4.911 -0.208 1
1 626 . 3 1 1 A 58 58 PHE C C 55 175.225 176.033 -0.808 1
1 627 . 3 1 1 A 58 58 PHE CA C 55 56.721 56.352 0.369 1
1 628 . 3 1 1 A 58 58 PHE CB C 55 44.606 42.973 1.633 1
1 631 . 3 1 1 A 58 58 PHE N N 55 119.380 119.737 -0.357 1
1 632 . 3 1 1 A 59 59 GLU H H 56 8.828 8.684 0.144 1
1 633 . 3 1 1 A 59 59 GLU HA H 56 4.390 4.344 0.046 1
1 638 . 3 1 1 A 59 59 GLU C C 56 176.868 176.693 0.175 1
1 639 . 3 1 1 A 59 59 GLU CA C 56 58.849 58.554 0.295 1
1 640 . 3 1 1 A 59 59 GLU CB C 56 30.977 30.912 0.065 1
1 642 . 3 1 1 A 59 59 GLU N N 56 119.209 121.486 -2.277 1
1 643 . 3 1 1 A 60 60 THR H H 57 7.090 7.572 -0.482 1
1 644 . 3 1 1 A 60 60 THR HA H 57 4.538 4.543 -0.005 1
1 649 . 3 1 1 A 60 60 THR C C 57 173.113 175.098 -1.985 1
1 650 . 3 1 1 A 60 60 THR CA C 57 58.619 59.643 -1.024 1
1 651 . 3 1 1 A 60 60 THR CB C 57 72.972 72.648 0.324 1
1 653 . 3 1 1 A 60 60 THR N N 57 102.317 110.117 -7.800 1
1 654 . 3 1 1 A 61 61 GLN H H 58 7.590 7.906 -0.316 1
1 655 . 3 1 1 A 61 61 GLN HA H 58 2.307 3.390 -1.083 1
1 662 . 3 1 1 A 61 61 GLN C C 58 177.713 177.265 0.448 1
1 663 . 3 1 1 A 61 61 GLN CA C 58 58.692 58.759 -0.067 1
1 664 . 3 1 1 A 61 61 GLN CB C 58 27.689 27.463 0.226 1
1 666 . 3 1 1 A 61 61 GLN N N 58 122.133 121.070 1.063 1
1 668 . 3 1 1 A 62 62 GLU H H 59 8.587 8.078 0.509 1
1 669 . 3 1 1 A 62 62 GLU HA H 59 3.673 3.842 -0.169 1
1 674 . 3 1 1 A 62 62 GLU C C 59 179.337 179.292 0.045 1
1 675 . 3 1 1 A 62 62 GLU CA C 59 59.847 59.110 0.737 1
1 676 . 3 1 1 A 62 62 GLU CB C 59 28.578 29.137 -0.559 1
1 678 . 3 1 1 A 62 62 GLU N N 59 117.069 118.658 -1.589 1
1 679 . 3 1 1 A 63 63 GLN H H 60 7.671 7.444 0.227 1
1 680 . 3 1 1 A 63 63 GLN HA H 60 3.812 3.875 -0.063 1
1 687 . 3 1 1 A 63 63 GLN C C 60 178.339 177.614 0.725 1
1 688 . 3 1 1 A 63 63 GLN CA C 60 58.411 58.666 -0.255 1
1 689 . 3 1 1 A 63 63 GLN CB C 60 29.308 28.598 0.710 1
1 691 . 3 1 1 A 63 63 GLN N N 60 118.959 118.912 0.047 1
1 693 . 3 1 1 A 64 64 ALA H H 61 6.836 7.490 -0.654 1
1 694 . 3 1 1 A 64 64 ALA HA H 61 1.982 2.938 -0.956 1
1 698 . 3 1 1 A 64 64 ALA C C 61 178.151 179.186 -1.035 1
1 699 . 3 1 1 A 64 64 ALA CA C 61 54.112 54.424 -0.312 1
1 700 . 3 1 1 A 64 64 ALA CB C 61 18.627 18.044 0.583 1
1 701 . 3 1 1 A 64 64 ALA N N 61 123.296 122.269 1.027 1
1 702 . 3 1 1 A 65 65 GLU H H 62 8.014 8.077 -0.063 1
1 703 . 3 1 1 A 65 65 GLU HA H 62 2.853 3.412 -0.559 1
1 708 . 3 1 1 A 65 65 GLU C C 62 177.901 178.631 -0.730 1
1 709 . 3 1 1 A 65 65 GLU CA C 62 60.601 59.023 1.578 1
1 710 . 3 1 1 A 65 65 GLU CB C 62 30.597 28.678 1.919 1
1 712 . 3 1 1 A 65 65 GLU N N 62 115.643 116.328 -0.685 1
1 713 . 3 1 1 A 66 66 ALA H H 63 7.954 7.618 0.336 1
1 714 . 3 1 1 A 66 66 ALA HA H 63 3.812 4.009 -0.197 1
1 718 . 3 1 1 A 66 66 ALA C C 63 180.245 179.293 0.952 1
1 719 . 3 1 1 A 66 66 ALA CA C 63 54.968 54.707 0.261 1
1 720 . 3 1 1 A 66 66 ALA CB C 63 17.876 17.738 0.138 1
1 721 . 3 1 1 A 66 66 ALA N N 63 120.250 121.736 -1.486 1
1 722 . 3 1 1 A 67 67 TYR H H 64 7.373 7.506 -0.133 1
1 723 . 3 1 1 A 67 67 TYR HA H 64 3.789 4.059 -0.270 1
1 730 . 3 1 1 A 67 67 TYR C C 64 176.680 176.457 0.223 1
1 731 . 3 1 1 A 67 67 TYR CA C 64 61.624 61.653 -0.029 1
1 732 . 3 1 1 A 67 67 TYR CB C 64 38.947 38.529 0.418 1
1 735 . 3 1 1 A 67 67 TYR N N 64 119.523 119.549 -0.026 1
1 736 . 3 1 1 A 68 68 ALA H H 65 7.653 7.744 -0.091 1
1 737 . 3 1 1 A 68 68 ALA HA H 65 3.608 3.815 -0.207 1
1 741 . 3 1 1 A 68 68 ALA C C 65 179.650 179.821 -0.171 1
1 742 . 3 1 1 A 68 68 ALA CA C 65 55.407 55.153 0.254 1
1 743 . 3 1 1 A 68 68 ALA CB C 65 18.001 17.869 0.132 1
1 744 . 3 1 1 A 68 68 ALA N N 65 120.416 121.475 -1.059 1
1 745 . 3 1 1 A 69 69 GLN H H 66 8.491 8.203 0.288 1
1 746 . 3 1 1 A 69 69 GLN HA H 66 4.150 3.933 0.217 1
1 753 . 3 1 1 A 69 69 GLN C C 66 180.119 178.379 1.740 1
1 754 . 3 1 1 A 69 69 GLN CA C 66 58.639 59.006 -0.367 1
1 755 . 3 1 1 A 69 69 GLN CB C 66 28.035 28.374 -0.339 1
1 757 . 3 1 1 A 69 69 GLN N N 66 115.832 117.226 -1.394 1
1 759 . 3 1 1 A 70 70 ARG H H 67 7.962 7.745 0.217 1
1 760 . 3 1 1 A 70 70 ARG HA H 67 3.991 4.017 -0.026 1
1 767 . 3 1 1 A 70 70 ARG C C 67 178.370 178.062 0.308 1
1 768 . 3 1 1 A 70 70 ARG CA C 67 58.849 58.887 -0.038 1
1 769 . 3 1 1 A 70 70 ARG CB C 67 29.735 29.687 0.048 1
1 772 . 3 1 1 A 70 70 ARG N N 67 120.213 120.064 0.149 1
1 773 . 3 1 1 A 71 71 LYS H H 68 7.506 7.280 0.226 1
1 774 . 3 1 1 A 71 71 LYS HA H 68 4.132 4.180 -0.048 1
1 783 . 3 1 1 A 71 71 LYS C C 68 176.712 177.071 -0.359 1
1 784 . 3 1 1 A 71 71 LYS CA C 68 54.781 55.768 -0.987 1
1 785 . 3 1 1 A 71 71 LYS CB C 68 32.447 32.901 -0.454 1
1 789 . 3 1 1 A 71 71 LYS N N 68 115.757 115.856 -0.099 1
1 790 . 3 1 1 A 72 72 GLY H H 69 7.680 7.744 -0.064 1
1 791 . 3 1 1 A 72 72 GLY HA2 H 69 3.887 3.928 -0.041 1
1 792 . 3 1 1 A 72 72 GLY HA3 H 69 3.818 3.935 -0.117 1
1 793 . 3 1 1 A 72 72 GLY C C 69 175.415 174.415 1.000 1
1 794 . 3 1 1 A 72 72 GLY CA C 69 46.621 45.277 1.344 1
1 795 . 3 1 1 A 72 72 GLY N N 69 109.542 106.402 3.140 1
1 796 . 3 1 1 A 73 73 ILE H H 70 8.180 7.368 0.812 1
1 797 . 3 1 1 A 73 73 ILE HA H 70 3.951 3.985 -0.034 1
1 805 . 3 1 1 A 73 73 ILE C C 70 175.835 175.898 -0.063 1
1 806 . 3 1 1 A 73 73 ILE CA C 70 60.560 61.148 -0.588 1
1 807 . 3 1 1 A 73 73 ILE CB C 70 40.035 37.800 2.235 1
1 810 . 3 1 1 A 73 73 ILE N N 70 121.234 122.939 -1.705 1
1 811 . 3 1 1 A 74 74 GLU H H 71 8.428 8.477 -0.049 1
1 812 . 3 1 1 A 74 74 GLU HA H 71 4.289 4.278 0.011 1
1 817 . 3 1 1 A 74 74 GLU C C 71 175.460 176.372 -0.912 1
1 818 . 3 1 1 A 74 74 GLU CA C 71 56.533 56.834 -0.301 1
1 819 . 3 1 1 A 74 74 GLU CB C 71 29.683 29.907 -0.224 1
1 821 . 3 1 1 A 74 74 GLU N N 71 129.096 128.123 0.973 1
1 822 . 3 1 1 A 75 75 TYR H H 72 8.004 8.620 -0.616 1
1 823 . 3 1 1 A 75 75 TYR HA H 72 5.805 5.702 0.103 1
1 830 . 3 1 1 A 75 75 TYR C C 72 173.332 172.495 0.837 1
1 831 . 3 1 1 A 75 75 TYR CA C 72 55.323 55.775 -0.452 1
1 832 . 3 1 1 A 75 75 TYR CB C 72 42.290 42.121 0.169 1
1 835 . 3 1 1 A 75 75 TYR N N 72 120.850 117.993 2.857 1
1 836 . 3 1 1 A 76 76 ARG H H 73 7.936 8.845 -0.909 1
1 837 . 3 1 1 A 76 76 ARG HA H 73 4.656 5.103 -0.447 1
1 844 . 3 1 1 A 76 76 ARG C C 73 174.302 174.767 -0.465 1
1 845 . 3 1 1 A 76 76 ARG CA C 73 53.883 54.020 -0.137 1
1 846 . 3 1 1 A 76 76 ARG CB C 73 32.856 34.099 -1.243 1
1 849 . 3 1 1 A 76 76 ARG N N 73 117.640 120.558 -2.918 1
1 850 . 3 1 1 A 77 77 VAL H H 74 8.859 8.874 -0.015 1
1 851 . 3 1 1 A 77 77 VAL HA H 74 4.885 4.942 -0.057 1
1 859 . 3 1 1 A 77 77 VAL C C 74 176.023 175.032 0.991 1
1 860 . 3 1 1 A 77 77 VAL CA C 74 61.540 61.399 0.141 1
1 861 . 3 1 1 A 77 77 VAL CB C 74 32.377 33.741 -1.364 1
1 864 . 3 1 1 A 77 77 VAL N N 74 124.091 126.422 -2.331 1
1 865 . 3 1 1 A 78 78 ILE H H 75 9.282 9.657 -0.375 1
1 866 . 3 1 1 A 78 78 ILE HA H 75 4.297 4.789 -0.492 1
1 876 . 3 1 1 A 78 78 ILE C C 75 175.178 175.493 -0.315 1
1 877 . 3 1 1 A 78 78 ILE CA C 75 59.850 60.047 -0.197 1
1 878 . 3 1 1 A 78 78 ILE CB C 75 37.546 40.996 -3.450 1
1 882 . 3 1 1 A 78 78 ILE N N 75 130.317 127.827 2.490 1
1 883 . 3 1 1 A 79 79 LEU H H 76 8.428 8.679 -0.251 1
1 884 . 3 1 1 A 79 79 LEU HA H 76 4.747 4.748 -0.001 1
1 894 . 3 1 1 A 79 79 LEU CA C 76 52.672 53.750 -1.078 1
1 895 . 3 1 1 A 79 79 LEU CB C 76 41.865 41.055 0.810 1
1 899 . 3 1 1 A 79 79 LEU N N 76 128.194 126.113 2.081 1
1 900 . 3 1 1 A 80 80 PRO HA H 77 4.402 4.302 0.100 1
1 907 . 3 1 1 A 80 80 PRO C C 77 177.087 177.500 -0.413 1
1 908 . 3 1 1 A 80 80 PRO CA C 77 63.104 62.317 0.787 1
1 909 . 3 1 1 A 80 80 PRO CB C 77 32.145 33.030 -0.885 1
1 912 . 3 1 1 A 81 81 LYS H H 78 8.373 8.447 -0.074 1
1 913 . 3 1 1 A 81 81 LYS HA H 78 4.205 3.958 0.247 1
1 922 . 3 1 1 A 81 81 LYS C C 78 174.200 176.847 -2.647 1
1 923 . 3 1 1 A 81 81 LYS CA C 78 57.050 58.537 -1.487 1
1 924 . 3 1 1 A 81 81 LYS CB C 78 32.750 31.869 0.881 1
1 928 . 3 1 1 A 81 81 LYS N N 78 121.644 121.765 -0.121 1
1 929 . 3 1 1 A 82 82 GLU H H 79 8.452 8.265 0.187 1
1 930 . 3 1 1 A 82 82 GLU HA H 79 4.216 4.370 -0.154 1
1 935 . 3 1 1 A 82 82 GLU C C 79 176.336 176.603 -0.267 1
1 936 . 3 1 1 A 82 82 GLU CA C 79 56.533 55.988 0.545 1
1 937 . 3 1 1 A 82 82 GLU CB C 79 29.996 29.033 0.963 1
1 939 . 3 1 1 A 82 82 GLU N N 79 121.461 118.111 3.350 1
1 10 . 4 1 1 A 5 5 SER H H 2 8.403 8.674 -0.271 1
1 11 . 4 1 1 A 5 5 SER HA H 2 5.099 5.722 -0.623 1
1 14 . 4 1 1 A 5 5 SER C C 2 173.833 173.712 0.121 1
1 15 . 4 1 1 A 5 5 SER CA C 2 57.556 57.678 -0.122 1
1 16 . 4 1 1 A 5 5 SER CB C 2 65.337 64.936 0.401 1
1 17 . 4 1 1 A 5 5 SER N N 2 116.747 116.279 0.468 1
1 18 . 4 1 1 A 6 6 ALA H H 3 8.552 9.257 -0.705 1
1 19 . 4 1 1 A 6 6 ALA HA H 3 5.040 5.554 -0.514 1
1 23 . 4 1 1 A 6 6 ALA C C 3 176.117 176.973 -0.856 1
1 24 . 4 1 1 A 6 6 ALA CA C 3 51.500 50.292 1.208 1
1 25 . 4 1 1 A 6 6 ALA CB C 3 23.991 21.609 2.382 1
1 26 . 4 1 1 A 6 6 ALA N N 3 123.072 128.433 -5.361 1
1 27 . 4 1 1 A 7 7 LYS H H 4 8.706 9.355 -0.649 1
1 28 . 4 1 1 A 7 7 LYS HA H 4 5.428 5.218 0.210 1
1 37 . 4 1 1 A 7 7 LYS C C 4 174.490 175.545 -1.055 1
1 38 . 4 1 1 A 7 7 LYS CA C 4 54.280 55.296 -1.016 1
1 39 . 4 1 1 A 7 7 LYS CB C 4 36.399 34.697 1.702 1
1 43 . 4 1 1 A 7 7 LYS N N 4 117.868 119.384 -1.516 1
1 44 . 4 1 1 A 8 8 ILE H H 5 8.752 9.148 -0.396 1
1 45 . 4 1 1 A 8 8 ILE HA H 5 5.741 5.267 0.474 1
1 55 . 4 1 1 A 8 8 ILE C C 5 174.552 174.991 -0.439 1
1 56 . 4 1 1 A 8 8 ILE CA C 5 59.953 60.740 -0.787 1
1 57 . 4 1 1 A 8 8 ILE CB C 5 41.115 39.140 1.975 1
1 61 . 4 1 1 A 8 8 ILE N N 5 122.521 126.263 -3.742 1
1 62 . 4 1 1 A 9 9 TYR H H 6 8.980 8.747 0.233 1
1 63 . 4 1 1 A 9 9 TYR HA H 6 5.214 5.675 -0.461 1
1 68 . 4 1 1 A 9 9 TYR C C 6 171.856 172.592 -0.736 1
1 69 . 4 1 1 A 9 9 TYR CA C 6 56.053 55.905 0.148 1
1 70 . 4 1 1 A 9 9 TYR CB C 6 40.371 41.481 -1.110 1
1 72 . 4 1 1 A 9 9 TYR N N 6 122.495 124.645 -2.150 1
1 73 . 4 1 1 A 10 10 ARG H H 7 8.830 8.652 0.178 1
1 74 . 4 1 1 A 10 10 ARG HA H 7 4.498 4.624 -0.126 1
1 81 . 4 1 1 A 10 10 ARG CA C 7 51.891 52.883 -0.992 1
1 82 . 4 1 1 A 10 10 ARG CB C 7 30.299 31.847 -1.548 1
1 85 . 4 1 1 A 10 10 ARG N N 7 122.632 120.451 2.181 1
1 86 . 4 1 1 A 11 11 PRO HA H 8 4.369 4.656 -0.287 1
1 93 . 4 1 1 A 11 11 PRO C C 8 176.086 177.635 -1.549 1
1 94 . 4 1 1 A 11 11 PRO CA C 8 62.730 62.681 0.049 1
1 95 . 4 1 1 A 11 11 PRO CB C 8 32.364 32.987 -0.623 1
1 98 . 4 1 1 A 12 12 ALA H H 9 8.384 8.579 -0.195 1
1 99 . 4 1 1 A 12 12 ALA HA H 9 4.193 4.033 0.160 1
1 103 . 4 1 1 A 12 12 ALA C C 9 177.948 177.569 0.379 1
1 104 . 4 1 1 A 12 12 ALA CA C 9 52.406 54.709 -2.303 1
1 105 . 4 1 1 A 12 12 ALA CB C 9 19.441 18.638 0.803 1
1 106 . 4 1 1 A 12 12 ALA N N 9 124.348 123.241 1.107 1
1 107 . 4 1 1 A 13 13 LYS H H 10 8.242 7.418 0.824 1
1 108 . 4 1 1 A 13 13 LYS HA H 10 4.289 4.756 -0.467 1
1 117 . 4 1 1 A 13 13 LYS C C 10 176.555 176.372 0.183 1
1 118 . 4 1 1 A 13 13 LYS CA C 10 56.345 54.737 1.608 1
1 119 . 4 1 1 A 13 13 LYS CB C 10 33.052 34.879 -1.827 1
1 123 . 4 1 1 A 13 13 LYS N N 10 120.348 114.550 5.798 1
1 124 . 4 1 1 A 14 14 THR H H 11 7.950 8.665 -0.715 1
1 125 . 4 1 1 A 14 14 THR HA H 11 4.320 4.310 0.010 1
1 130 . 4 1 1 A 14 14 THR C C 11 174.302 174.662 -0.360 1
1 131 . 4 1 1 A 14 14 THR CA C 11 61.603 63.063 -1.460 1
1 132 . 4 1 1 A 14 14 THR CB C 11 69.699 69.141 0.558 1
1 134 . 4 1 1 A 14 14 THR N N 11 112.991 114.743 -1.752 1
1 135 . 4 1 1 A 15 15 ALA H H 12 8.189 7.542 0.647 1
1 136 . 4 1 1 A 15 15 ALA HA H 12 4.250 4.399 -0.149 1
1 140 . 4 1 1 A 15 15 ALA C C 12 177.838 175.516 2.322 1
1 141 . 4 1 1 A 15 15 ALA CA C 12 52.840 51.111 1.729 1
1 142 . 4 1 1 A 15 15 ALA CB C 12 19.231 20.269 -1.038 1
1 143 . 4 1 1 A 15 15 ALA N N 12 125.979 121.017 4.962 1
1 144 . 4 1 1 A 16 16 MET H H 13 8.110 8.460 -0.350 1
1 145 . 4 1 1 A 16 16 MET HA H 13 4.374 4.570 -0.196 1
1 150 . 4 1 1 A 16 16 MET C C 13 176.148 175.694 0.454 1
1 151 . 4 1 1 A 16 16 MET CA C 13 55.595 54.134 1.461 1
1 152 . 4 1 1 A 16 16 MET CB C 13 32.625 32.420 0.205 1
1 154 . 4 1 1 A 16 16 MET N N 13 118.186 117.378 0.808 1
1 155 . 4 1 1 A 17 17 GLN H H 14 8.198 8.816 -0.618 1
1 156 . 4 1 1 A 17 17 GLN HA H 14 4.273 4.713 -0.440 1
1 161 . 4 1 1 A 17 17 GLN C C 14 175.992 174.349 1.643 1
1 162 . 4 1 1 A 17 17 GLN CA C 14 56.032 55.005 1.027 1
1 163 . 4 1 1 A 17 17 GLN CB C 14 29.371 28.765 0.606 1
1 165 . 4 1 1 A 17 17 GLN N N 14 121.811 125.664 -3.853 1
1 166 . 4 1 1 A 18 18 SER H H 15 8.275 8.397 -0.122 1
1 167 . 4 1 1 A 18 18 SER HA H 15 4.379 5.018 -0.639 1
1 170 . 4 1 1 A 18 18 SER C C 15 175.053 173.867 1.186 1
1 171 . 4 1 1 A 18 18 SER CA C 15 58.536 56.788 1.748 1
1 172 . 4 1 1 A 18 18 SER CB C 15 63.856 66.209 -2.353 1
1 173 . 4 1 1 A 18 18 SER N N 15 116.768 113.474 3.294 1
1 174 . 4 1 1 A 19 19 GLY H H 16 8.430 8.590 -0.160 1
1 175 . 4 1 1 A 19 19 GLY HA2 H 16 4.031 3.885 0.146 1
1 176 . 4 1 1 A 19 19 GLY HA3 H 16 3.906 3.885 0.021 1
1 177 . 4 1 1 A 19 19 GLY C C 16 174.490 173.330 1.160 1
1 178 . 4 1 1 A 19 19 GLY CA C 16 45.580 46.061 -0.481 1
1 179 . 4 1 1 A 19 19 GLY N N 16 111.050 113.422 -2.372 1
1 180 . 4 1 1 A 20 20 THR H H 17 7.950 7.645 0.305 1
1 181 . 4 1 1 A 20 20 THR HA H 17 4.289 4.771 -0.482 1
1 185 . 4 1 1 A 20 20 THR C C 17 174.427 172.909 1.518 1
1 186 . 4 1 1 A 20 20 THR CA C 17 61.477 59.794 1.683 1
1 188 . 4 1 1 A 20 20 THR N N 17 112.991 113.459 -0.468 1
1 189 . 4 1 1 A 21 21 ALA H H 18 8.247 8.255 -0.008 1
1 190 . 4 1 1 A 21 21 ALA N N 18 125.213 126.198 -0.985 1
1 191 . 4 1 1 A 22 22 LYS HA H 19 4.265 4.494 -0.229 1
1 200 . 4 1 1 A 22 22 LYS C C 19 176.774 176.119 0.655 1
1 201 . 4 1 1 A 22 22 LYS CA C 19 56.596 55.358 1.238 1
1 202 . 4 1 1 A 22 22 LYS CB C 19 33.126 31.479 1.647 1
1 206 . 4 1 1 A 23 23 THR H H 20 8.004 8.957 -0.953 1
1 207 . 4 1 1 A 23 23 THR HA H 20 4.333 4.613 -0.280 1
1 212 . 4 1 1 A 23 23 THR C C 20 174.083 174.633 -0.550 1
1 213 . 4 1 1 A 23 23 THR CA C 20 61.682 61.176 0.506 1
1 214 . 4 1 1 A 23 23 THR CB C 20 69.908 69.269 0.639 1
1 216 . 4 1 1 A 23 23 THR N N 20 113.978 119.925 -5.947 1
1 217 . 4 1 1 A 24 24 ASN H H 21 8.289 7.744 0.545 1
1 218 . 4 1 1 A 24 24 ASN HA H 21 4.689 4.904 -0.215 1
1 223 . 4 1 1 A 24 24 ASN C C 21 174.177 173.875 0.302 1
1 224 . 4 1 1 A 24 24 ASN CA C 21 52.966 52.692 0.274 1
1 225 . 4 1 1 A 24 24 ASN CB C 21 38.404 36.699 1.705 1
1 226 . 4 1 1 A 24 24 ASN N N 21 118.085 121.294 -3.209 1
1 228 . 4 1 1 A 25 25 VAL H H 22 7.381 8.307 -0.926 1
1 229 . 4 1 1 A 25 25 VAL HA H 22 4.336 4.955 -0.619 1
1 237 . 4 1 1 A 25 25 VAL C C 22 174.271 175.205 -0.934 1
1 238 . 4 1 1 A 25 25 VAL CA C 22 61.540 59.569 1.971 1
1 239 . 4 1 1 A 25 25 VAL CB C 22 33.771 35.066 -1.295 1
1 242 . 4 1 1 A 25 25 VAL N N 22 115.156 117.061 -1.905 1
1 243 . 4 1 1 A 26 26 TRP H H 23 8.581 8.886 -0.305 1
1 244 . 4 1 1 A 26 26 TRP HA H 23 4.430 5.048 -0.618 1
1 253 . 4 1 1 A 26 26 TRP C C 23 174.803 175.690 -0.887 1
1 254 . 4 1 1 A 26 26 TRP CA C 23 56.721 56.880 -0.159 1
1 255 . 4 1 1 A 26 26 TRP CB C 23 30.651 30.755 -0.104 1
1 261 . 4 1 1 A 26 26 TRP N N 23 120.570 121.624 -1.054 1
1 263 . 4 1 1 A 27 27 VAL H H 24 9.122 8.703 0.419 1
1 264 . 4 1 1 A 27 27 VAL HA H 24 4.774 4.686 0.088 1
1 272 . 4 1 1 A 27 27 VAL C C 24 173.739 174.100 -0.361 1
1 273 . 4 1 1 A 27 27 VAL CA C 24 60.101 61.448 -1.347 1
1 274 . 4 1 1 A 27 27 VAL CB C 24 34.726 33.251 1.475 1
1 277 . 4 1 1 A 27 27 VAL N N 24 121.265 123.259 -1.994 1
1 278 . 4 1 1 A 28 28 LEU H H 25 8.713 9.059 -0.346 1
1 279 . 4 1 1 A 28 28 LEU HA H 25 5.126 5.291 -0.165 1
1 288 . 4 1 1 A 28 28 LEU C C 25 174.177 174.605 -0.428 1
1 289 . 4 1 1 A 28 28 LEU CA C 25 53.863 53.522 0.341 1
1 290 . 4 1 1 A 28 28 LEU CB C 25 46.227 44.541 1.686 1
1 293 . 4 1 1 A 28 28 LEU N N 25 125.972 129.765 -3.793 1
1 294 . 4 1 1 A 29 29 GLU H H 26 9.283 9.205 0.078 1
1 295 . 4 1 1 A 29 29 GLU HA H 26 5.353 5.371 -0.018 1
1 300 . 4 1 1 A 29 29 GLU C C 26 175.867 175.556 0.311 1
1 301 . 4 1 1 A 29 29 GLU CA C 26 53.883 54.986 -1.103 1
1 302 . 4 1 1 A 29 29 GLU CB C 26 34.594 32.821 1.773 1
1 304 . 4 1 1 A 29 29 GLU N N 26 127.083 128.275 -1.192 1
1 305 . 4 1 1 A 30 30 PHE H H 27 8.761 8.564 0.197 1
1 306 . 4 1 1 A 30 30 PHE HA H 27 4.797 5.750 -0.953 1
1 313 . 4 1 1 A 30 30 PHE C C 27 174.959 172.546 2.413 1
1 314 . 4 1 1 A 30 30 PHE CA C 27 58.160 55.138 3.022 1
1 315 . 4 1 1 A 30 30 PHE CB C 27 40.218 42.420 -2.202 1
1 318 . 4 1 1 A 30 30 PHE N N 27 125.378 121.830 3.548 1
1 319 . 4 1 1 A 31 31 ASP H H 28 8.705 9.143 -0.438 1
1 320 . 4 1 1 A 31 31 ASP HA H 28 4.735 4.943 -0.208 1
1 323 . 4 1 1 A 31 31 ASP C C 28 175.898 175.027 0.871 1
1 324 . 4 1 1 A 31 31 ASP CA C 28 54.468 52.547 1.921 1
1 325 . 4 1 1 A 31 31 ASP CB C 28 41.529 41.169 0.360 1
1 326 . 4 1 1 A 31 31 ASP N N 28 121.546 121.689 -0.143 1
1 327 . 4 1 1 A 32 32 ALA H H 29 8.527 8.592 -0.065 1
1 328 . 4 1 1 A 32 32 ALA HA H 29 4.400 4.581 -0.181 1
1 332 . 4 1 1 A 32 32 ALA C C 29 177.150 179.229 -2.079 1
1 333 . 4 1 1 A 32 32 ALA CA C 29 52.027 53.129 -1.102 1
1 334 . 4 1 1 A 32 32 ALA CB C 29 20.212 19.392 0.820 1
1 335 . 4 1 1 A 32 32 ALA N N 29 124.632 129.448 -4.816 1
1 336 . 4 1 1 A 33 33 GLU H H 30 8.481 8.886 -0.405 1
1 337 . 4 1 1 A 33 33 GLU HA H 30 4.281 4.441 -0.160 1
1 342 . 4 1 1 A 33 33 GLU C C 30 176.336 175.516 0.820 1
1 343 . 4 1 1 A 33 33 GLU CA C 30 56.309 56.220 0.089 1
1 344 . 4 1 1 A 33 33 GLU CB C 30 30.309 29.233 1.076 1
1 346 . 4 1 1 A 33 33 GLU N N 30 120.547 119.348 1.199 1
1 347 . 4 1 1 A 34 34 VAL H H 31 8.140 7.473 0.667 1
1 348 . 4 1 1 A 34 34 VAL HA H 31 4.332 4.694 -0.362 1
1 353 . 4 1 1 A 34 34 VAL CA C 31 60.006 58.446 1.560 1
1 354 . 4 1 1 A 34 34 VAL CB C 31 32.620 34.346 -1.726 1
1 356 . 4 1 1 A 34 34 VAL N N 31 122.541 120.537 2.004 1
1 357 . 4 1 1 A 35 35 PRO HA H 32 4.343 4.774 -0.431 1
1 364 . 4 1 1 A 35 35 PRO C C 32 176.649 177.135 -0.486 1
1 365 . 4 1 1 A 35 35 PRO CA C 32 63.167 62.179 0.988 1
1 366 . 4 1 1 A 35 35 PRO CB C 32 31.999 33.071 -1.072 1
1 369 . 4 1 1 A 36 36 ARG H H 33 8.282 8.801 -0.519 1
1 370 . 4 1 1 A 36 36 ARG HA H 33 4.268 4.342 -0.074 1
1 377 . 4 1 1 A 36 36 ARG C C 33 176.148 176.812 -0.664 1
1 378 . 4 1 1 A 36 36 ARG CA C 33 55.845 58.827 -2.982 1
1 379 . 4 1 1 A 36 36 ARG CB C 33 31.061 29.421 1.640 1
1 382 . 4 1 1 A 36 36 ARG N N 33 121.352 119.444 1.908 1
1 383 . 4 1 1 A 37 37 LYS H H 34 8.256 7.765 0.491 1
1 384 . 4 1 1 A 37 37 LYS HA H 34 4.265 4.486 -0.221 1
1 391 . 4 1 1 A 37 37 LYS C C 34 176.054 175.081 0.973 1
1 392 . 4 1 1 A 37 37 LYS CA C 34 56.220 55.600 0.620 1
1 393 . 4 1 1 A 37 37 LYS CB C 34 33.103 31.023 2.080 1
1 396 . 4 1 1 A 37 37 LYS N N 34 122.458 118.906 3.552 1
1 397 . 4 1 1 A 38 38 ILE H H 35 8.066 7.768 0.298 1
1 398 . 4 1 1 A 38 38 ILE HA H 35 4.053 4.765 -0.712 1
1 408 . 4 1 1 A 38 38 ILE C C 35 175.397 175.157 0.240 1
1 409 . 4 1 1 A 38 38 ILE CA C 35 60.560 59.638 0.922 1
1 410 . 4 1 1 A 38 38 ILE CB C 35 38.883 41.339 -2.456 1
1 414 . 4 1 1 A 38 38 ILE N N 35 121.996 125.782 -3.786 1
1 415 . 4 1 1 A 39 39 ASP H H 36 8.270 8.649 -0.379 1
1 416 . 4 1 1 A 39 39 ASP HA H 36 4.824 4.580 0.244 1
1 419 . 4 1 1 A 39 39 ASP CA C 36 52.138 53.114 -0.976 1
1 420 . 4 1 1 A 39 39 ASP CB C 36 42.009 40.330 1.679 1
1 421 . 4 1 1 A 39 39 ASP N N 36 126.273 124.265 2.008 1
1 422 . 4 1 1 A 40 40 PRO HA H 37 4.295 4.405 -0.110 1
1 429 . 4 1 1 A 40 40 PRO C C 37 177.275 178.688 -1.413 1
1 430 . 4 1 1 A 40 40 PRO CA C 37 63.731 64.528 -0.797 1
1 431 . 4 1 1 A 40 40 PRO CB C 37 32.135 32.000 0.135 1
1 434 . 4 1 1 A 41 41 ILE H H 38 8.115 7.899 0.216 1
1 435 . 4 1 1 A 41 41 ILE HA H 38 4.030 3.902 0.128 1
1 445 . 4 1 1 A 41 41 ILE C C 38 176.993 177.560 -0.567 1
1 446 . 4 1 1 A 41 41 ILE CA C 38 61.790 63.820 -2.030 1
1 447 . 4 1 1 A 41 41 ILE CB C 38 38.132 38.011 0.121 1
1 451 . 4 1 1 A 41 41 ILE N N 38 119.202 116.908 2.294 1
1 452 . 4 1 1 A 42 42 MET H H 39 8.189 7.900 0.289 1
1 453 . 4 1 1 A 42 42 MET HA H 39 4.351 4.783 -0.432 1
1 458 . 4 1 1 A 42 42 MET C C 39 176.962 177.073 -0.111 1
1 459 . 4 1 1 A 42 42 MET CA C 39 55.532 54.274 1.258 1
1 460 . 4 1 1 A 42 42 MET CB C 39 32.249 33.128 -0.879 1
1 462 . 4 1 1 A 42 42 MET N N 39 120.640 116.272 4.368 1
1 463 . 4 1 1 A 43 43 GLY H H 40 8.105 8.095 0.010 1
1 464 . 4 1 1 A 43 43 GLY HA2 H 40 3.931 4.048 -0.117 1
1 465 . 4 1 1 A 43 43 GLY HA3 H 40 3.740 4.066 -0.326 1
1 466 . 4 1 1 A 43 43 GLY C C 40 173.707 173.968 -0.261 1
1 467 . 4 1 1 A 43 43 GLY CA C 40 45.455 46.309 -0.854 1
1 468 . 4 1 1 A 43 43 GLY N N 40 108.720 109.748 -1.028 1
1 469 . 4 1 1 A 44 44 TYR H H 41 7.984 7.893 0.091 1
1 470 . 4 1 1 A 44 44 TYR HA H 41 4.609 4.262 0.347 1
1 477 . 4 1 1 A 44 44 TYR C C 41 175.929 176.496 -0.567 1
1 478 . 4 1 1 A 44 44 TYR CA C 41 57.847 58.488 -0.641 1
1 479 . 4 1 1 A 44 44 TYR CB C 41 39.008 38.375 0.633 1
1 482 . 4 1 1 A 44 44 TYR N N 41 120.435 122.149 -1.714 1
1 483 . 4 1 1 A 45 45 THR H H 42 8.112 8.746 -0.634 1
1 484 . 4 1 1 A 45 45 THR HA H 42 4.281 4.112 0.169 1
1 486 . 4 1 1 A 45 45 THR C C 42 177.024 174.732 2.292 1
1 487 . 4 1 1 A 45 45 THR CA C 42 61.540 63.863 -2.323 1
1 488 . 4 1 1 A 45 45 THR CB C 42 70.145 66.691 3.454 1
1 489 . 4 1 1 A 45 45 THR N N 42 116.187 121.397 -5.210 1
1 490 . 4 1 1 A 46 46 SER H H 43 8.447 8.141 0.306 1
1 491 . 4 1 1 A 46 46 SER N N 43 121.723 117.024 4.699 1
1 492 . 4 1 1 A 47 47 SER HA H 44 4.224 4.826 -0.602 1
1 495 . 4 1 1 A 47 47 SER CA C 44 59.935 56.987 2.948 1
1 496 . 4 1 1 A 47 47 SER CB C 44 64.763 63.928 0.835 1
1 497 . 4 1 1 A 48 48 SER HA H 45 4.365 4.526 -0.161 1
1 500 . 4 1 1 A 48 48 SER C C 45 174.302 173.101 1.201 1
1 501 . 4 1 1 A 48 48 SER CA C 45 58.704 57.824 0.880 1
1 502 . 4 1 1 A 48 48 SER CB C 45 63.564 62.933 0.631 1
1 503 . 4 1 1 A 49 49 ASP H H 46 8.198 7.646 0.552 1
1 504 . 4 1 1 A 49 49 ASP HA H 46 4.553 5.195 -0.642 1
1 507 . 4 1 1 A 49 49 ASP C C 46 176.211 174.848 1.363 1
1 508 . 4 1 1 A 49 49 ASP CA C 46 54.572 52.591 1.981 1
1 509 . 4 1 1 A 49 49 ASP CB C 46 40.971 45.691 -4.720 1
1 510 . 4 1 1 A 49 49 ASP N N 46 121.811 121.162 0.649 1
1 511 . 4 1 1 A 50 50 MET H H 47 8.089 8.568 -0.479 1
1 512 . 4 1 1 A 50 50 MET HA H 47 4.374 4.565 -0.191 1
1 517 . 4 1 1 A 50 50 MET C C 47 176.100 175.973 0.127 1
1 518 . 4 1 1 A 50 50 MET CA C 47 55.595 55.292 0.303 1
1 519 . 4 1 1 A 50 50 MET CB C 47 32.625 32.659 -0.034 1
1 521 . 4 1 1 A 50 50 MET N N 47 120.102 119.454 0.648 1
1 522 . 4 1 1 A 51 51 LYS H H 48 8.198 8.589 -0.391 1
1 523 . 4 1 1 A 51 51 LYS HA H 48 4.343 4.481 -0.138 1
1 532 . 4 1 1 A 51 51 LYS C C 48 176.273 175.710 0.563 1
1 533 . 4 1 1 A 51 51 LYS CA C 48 56.158 56.952 -0.794 1
1 534 . 4 1 1 A 51 51 LYS CB C 48 33.042 31.309 1.733 1
1 538 . 4 1 1 A 51 51 LYS N N 48 121.811 118.370 3.441 1
1 539 . 4 1 1 A 52 52 GLN H H 49 8.372 8.458 -0.086 1
1 540 . 4 1 1 A 52 52 GLN HA H 49 4.330 4.662 -0.332 1
1 545 . 4 1 1 A 52 52 GLN C C 49 175.303 174.759 0.544 1
1 546 . 4 1 1 A 52 52 GLN CA C 49 55.180 55.233 -0.053 1
1 547 . 4 1 1 A 52 52 GLN CB C 49 30.017 28.744 1.273 1
1 549 . 4 1 1 A 52 52 GLN N N 49 120.928 123.091 -2.163 1
1 550 . 4 1 1 A 53 53 GLN H H 50 8.366 8.533 -0.167 1
1 551 . 4 1 1 A 53 53 GLN HA H 50 4.455 4.633 -0.178 1
1 558 . 4 1 1 A 53 53 GLN C C 50 175.616 174.494 1.122 1
1 559 . 4 1 1 A 53 53 GLN CA C 50 55.825 55.062 0.763 1
1 560 . 4 1 1 A 53 53 GLN CB C 50 29.988 27.813 2.175 1
1 562 . 4 1 1 A 53 53 GLN N N 50 122.169 125.517 -3.348 1
1 564 . 4 1 1 A 54 54 VAL H H 51 8.577 7.502 1.075 1
1 565 . 4 1 1 A 54 54 VAL HA H 51 3.999 4.450 -0.451 1
1 570 . 4 1 1 A 54 54 VAL C C 51 174.678 175.352 -0.674 1
1 571 . 4 1 1 A 54 54 VAL CA C 51 62.792 61.404 1.388 1
1 572 . 4 1 1 A 54 54 VAL CB C 51 32.809 32.504 0.305 1
1 574 . 4 1 1 A 54 54 VAL N N 51 124.540 124.655 -0.115 1
1 575 . 4 1 1 A 55 55 LYS H H 52 8.025 8.982 -0.957 1
1 576 . 4 1 1 A 55 55 LYS HA H 52 5.098 5.446 -0.348 1
1 585 . 4 1 1 A 55 55 LYS C C 52 175.397 174.795 0.602 1
1 586 . 4 1 1 A 55 55 LYS CA C 52 55.259 54.383 0.876 1
1 587 . 4 1 1 A 55 55 LYS CB C 52 35.090 36.289 -1.199 1
1 591 . 4 1 1 A 55 55 LYS N N 52 123.649 120.540 3.109 1
1 592 . 4 1 1 A 56 56 LEU H H 53 8.965 9.037 -0.072 1
1 593 . 4 1 1 A 56 56 LEU HA H 53 4.527 5.026 -0.499 1
1 602 . 4 1 1 A 56 56 LEU C C 53 175.272 176.165 -0.893 1
1 603 . 4 1 1 A 56 56 LEU CA C 53 53.385 53.223 0.162 1
1 604 . 4 1 1 A 56 56 LEU CB C 53 45.496 45.432 0.064 1
1 607 . 4 1 1 A 56 56 LEU N N 53 125.718 123.702 2.016 1
1 608 . 4 1 1 A 57 57 THR H H 54 7.647 8.818 -1.171 1
1 609 . 4 1 1 A 57 57 THR HA H 54 5.197 5.564 -0.367 1
1 614 . 4 1 1 A 57 57 THR C C 54 173.426 173.396 0.030 1
1 615 . 4 1 1 A 57 57 THR CA C 54 60.016 59.916 0.100 1
1 616 . 4 1 1 A 57 57 THR CB C 54 71.074 71.219 -0.145 1
1 618 . 4 1 1 A 57 57 THR N N 54 110.955 112.628 -1.673 1
1 619 . 4 1 1 A 58 58 PHE H H 55 9.240 9.084 0.156 1
1 620 . 4 1 1 A 58 58 PHE HA H 55 4.703 4.950 -0.247 1
1 626 . 4 1 1 A 58 58 PHE C C 55 175.225 176.122 -0.897 1
1 627 . 4 1 1 A 58 58 PHE CA C 55 56.721 56.237 0.484 1
1 628 . 4 1 1 A 58 58 PHE CB C 55 44.606 42.875 1.731 1
1 631 . 4 1 1 A 58 58 PHE N N 55 119.380 120.003 -0.623 1
1 632 . 4 1 1 A 59 59 GLU H H 56 8.828 8.864 -0.036 1
1 633 . 4 1 1 A 59 59 GLU HA H 56 4.390 4.340 0.050 1
1 638 . 4 1 1 A 59 59 GLU C C 56 176.868 176.609 0.259 1
1 639 . 4 1 1 A 59 59 GLU CA C 56 58.849 58.581 0.268 1
1 640 . 4 1 1 A 59 59 GLU CB C 56 30.977 30.809 0.168 1
1 642 . 4 1 1 A 59 59 GLU N N 56 119.209 121.527 -2.318 1
1 643 . 4 1 1 A 60 60 THR H H 57 7.090 7.552 -0.462 1
1 644 . 4 1 1 A 60 60 THR HA H 57 4.538 4.505 0.033 1
1 649 . 4 1 1 A 60 60 THR C C 57 173.113 174.937 -1.824 1
1 650 . 4 1 1 A 60 60 THR CA C 57 58.619 59.451 -0.832 1
1 651 . 4 1 1 A 60 60 THR CB C 57 72.972 72.673 0.299 1
1 653 . 4 1 1 A 60 60 THR N N 57 102.317 110.023 -7.706 1
1 654 . 4 1 1 A 61 61 GLN H H 58 7.590 7.819 -0.229 1
1 655 . 4 1 1 A 61 61 GLN HA H 58 2.307 3.400 -1.093 1
1 662 . 4 1 1 A 61 61 GLN C C 58 177.713 177.229 0.484 1
1 663 . 4 1 1 A 61 61 GLN CA C 58 58.692 58.811 -0.119 1
1 664 . 4 1 1 A 61 61 GLN CB C 58 27.689 27.494 0.195 1
1 666 . 4 1 1 A 61 61 GLN N N 58 122.133 120.994 1.139 1
1 668 . 4 1 1 A 62 62 GLU H H 59 8.587 7.999 0.588 1
1 669 . 4 1 1 A 62 62 GLU HA H 59 3.673 3.870 -0.197 1
1 674 . 4 1 1 A 62 62 GLU C C 59 179.337 179.375 -0.038 1
1 675 . 4 1 1 A 62 62 GLU CA C 59 59.847 59.188 0.659 1
1 676 . 4 1 1 A 62 62 GLU CB C 59 28.578 29.120 -0.542 1
1 678 . 4 1 1 A 62 62 GLU N N 59 117.069 118.777 -1.708 1
1 679 . 4 1 1 A 63 63 GLN H H 60 7.671 7.483 0.188 1
1 680 . 4 1 1 A 63 63 GLN HA H 60 3.812 3.908 -0.096 1
1 687 . 4 1 1 A 63 63 GLN C C 60 178.339 177.741 0.598 1
1 688 . 4 1 1 A 63 63 GLN CA C 60 58.411 58.607 -0.196 1
1 689 . 4 1 1 A 63 63 GLN CB C 60 29.308 28.288 1.020 1
1 691 . 4 1 1 A 63 63 GLN N N 60 118.959 119.008 -0.049 1
1 693 . 4 1 1 A 64 64 ALA H H 61 6.836 7.535 -0.699 1
1 694 . 4 1 1 A 64 64 ALA HA H 61 1.982 3.028 -1.046 1
1 698 . 4 1 1 A 64 64 ALA C C 61 178.151 179.250 -1.099 1
1 699 . 4 1 1 A 64 64 ALA CA C 61 54.112 54.391 -0.279 1
1 700 . 4 1 1 A 64 64 ALA CB C 61 18.627 18.082 0.545 1
1 701 . 4 1 1 A 64 64 ALA N N 61 123.296 122.403 0.893 1
1 702 . 4 1 1 A 65 65 GLU H H 62 8.014 8.013 0.001 1
1 703 . 4 1 1 A 65 65 GLU HA H 62 2.853 3.466 -0.613 1
1 708 . 4 1 1 A 65 65 GLU C C 62 177.901 178.626 -0.725 1
1 709 . 4 1 1 A 65 65 GLU CA C 62 60.601 59.025 1.576 1
1 710 . 4 1 1 A 65 65 GLU CB C 62 30.597 28.680 1.917 1
1 712 . 4 1 1 A 65 65 GLU N N 62 115.643 116.364 -0.721 1
1 713 . 4 1 1 A 66 66 ALA H H 63 7.954 7.650 0.304 1
1 714 . 4 1 1 A 66 66 ALA HA H 63 3.812 4.025 -0.213 1
1 718 . 4 1 1 A 66 66 ALA C C 63 180.245 179.399 0.846 1
1 719 . 4 1 1 A 66 66 ALA CA C 63 54.968 54.703 0.265 1
1 720 . 4 1 1 A 66 66 ALA CB C 63 17.876 17.909 -0.033 1
1 721 . 4 1 1 A 66 66 ALA N N 63 120.250 121.757 -1.507 1
1 722 . 4 1 1 A 67 67 TYR H H 64 7.373 7.520 -0.147 1
1 723 . 4 1 1 A 67 67 TYR HA H 64 3.789 4.068 -0.279 1
1 730 . 4 1 1 A 67 67 TYR C C 64 176.680 176.583 0.097 1
1 731 . 4 1 1 A 67 67 TYR CA C 64 61.624 61.657 -0.033 1
1 732 . 4 1 1 A 67 67 TYR CB C 64 38.947 38.560 0.387 1
1 735 . 4 1 1 A 67 67 TYR N N 64 119.523 119.551 -0.028 1
1 736 . 4 1 1 A 68 68 ALA H H 65 7.653 7.930 -0.277 1
1 737 . 4 1 1 A 68 68 ALA HA H 65 3.608 3.838 -0.230 1
1 741 . 4 1 1 A 68 68 ALA C C 65 179.650 179.852 -0.202 1
1 742 . 4 1 1 A 68 68 ALA CA C 65 55.407 55.312 0.095 1
1 743 . 4 1 1 A 68 68 ALA CB C 65 18.001 17.844 0.157 1
1 744 . 4 1 1 A 68 68 ALA N N 65 120.416 121.588 -1.172 1
1 745 . 4 1 1 A 69 69 GLN H H 66 8.491 8.149 0.342 1
1 746 . 4 1 1 A 69 69 GLN HA H 66 4.150 4.040 0.110 1
1 753 . 4 1 1 A 69 69 GLN C C 66 180.119 178.723 1.396 1
1 754 . 4 1 1 A 69 69 GLN CA C 66 58.639 58.539 0.100 1
1 755 . 4 1 1 A 69 69 GLN CB C 66 28.035 28.526 -0.491 1
1 757 . 4 1 1 A 69 69 GLN N N 66 115.832 116.963 -1.131 1
1 759 . 4 1 1 A 70 70 ARG H H 67 7.962 7.634 0.328 1
1 760 . 4 1 1 A 70 70 ARG HA H 67 3.991 4.034 -0.043 1
1 767 . 4 1 1 A 70 70 ARG C C 67 178.370 178.055 0.315 1
1 768 . 4 1 1 A 70 70 ARG CA C 67 58.849 58.945 -0.096 1
1 769 . 4 1 1 A 70 70 ARG CB C 67 29.735 29.645 0.090 1
1 772 . 4 1 1 A 70 70 ARG N N 67 120.213 120.630 -0.417 1
1 773 . 4 1 1 A 71 71 LYS H H 68 7.506 7.196 0.310 1
1 774 . 4 1 1 A 71 71 LYS HA H 68 4.132 4.175 -0.043 1
1 783 . 4 1 1 A 71 71 LYS C C 68 176.712 176.905 -0.193 1
1 784 . 4 1 1 A 71 71 LYS CA C 68 54.781 55.849 -1.068 1
1 785 . 4 1 1 A 71 71 LYS CB C 68 32.447 32.881 -0.434 1
1 789 . 4 1 1 A 71 71 LYS N N 68 115.757 115.807 -0.050 1
1 790 . 4 1 1 A 72 72 GLY H H 69 7.680 7.736 -0.056 1
1 791 . 4 1 1 A 72 72 GLY HA2 H 69 3.887 3.960 -0.073 1
1 792 . 4 1 1 A 72 72 GLY HA3 H 69 3.818 3.969 -0.151 1
1 793 . 4 1 1 A 72 72 GLY C C 69 175.415 174.399 1.016 1
1 794 . 4 1 1 A 72 72 GLY CA C 69 46.621 45.063 1.558 1
1 795 . 4 1 1 A 72 72 GLY N N 69 109.542 105.778 3.764 1
1 796 . 4 1 1 A 73 73 ILE H H 70 8.180 7.442 0.738 1
1 797 . 4 1 1 A 73 73 ILE HA H 70 3.951 4.030 -0.079 1
1 805 . 4 1 1 A 73 73 ILE C C 70 175.835 175.695 0.140 1
1 806 . 4 1 1 A 73 73 ILE CA C 70 60.560 61.121 -0.561 1
1 807 . 4 1 1 A 73 73 ILE CB C 70 40.035 37.732 2.303 1
1 810 . 4 1 1 A 73 73 ILE N N 70 121.234 122.977 -1.743 1
1 811 . 4 1 1 A 74 74 GLU H H 71 8.428 8.547 -0.119 1
1 812 . 4 1 1 A 74 74 GLU HA H 71 4.289 4.357 -0.068 1
1 817 . 4 1 1 A 74 74 GLU C C 71 175.460 176.398 -0.938 1
1 818 . 4 1 1 A 74 74 GLU CA C 71 56.533 56.887 -0.354 1
1 819 . 4 1 1 A 74 74 GLU CB C 71 29.683 29.900 -0.217 1
1 821 . 4 1 1 A 74 74 GLU N N 71 129.096 128.163 0.933 1
1 822 . 4 1 1 A 75 75 TYR H H 72 8.004 8.639 -0.635 1
1 823 . 4 1 1 A 75 75 TYR HA H 72 5.805 5.930 -0.125 1
1 830 . 4 1 1 A 75 75 TYR C C 72 173.332 172.562 0.770 1
1 831 . 4 1 1 A 75 75 TYR CA C 72 55.323 55.609 -0.286 1
1 832 . 4 1 1 A 75 75 TYR CB C 72 42.290 42.253 0.037 1
1 835 . 4 1 1 A 75 75 TYR N N 72 120.850 117.907 2.943 1
1 836 . 4 1 1 A 76 76 ARG H H 73 7.936 8.837 -0.901 1
1 837 . 4 1 1 A 76 76 ARG HA H 73 4.656 5.135 -0.479 1
1 844 . 4 1 1 A 76 76 ARG C C 73 174.302 174.606 -0.304 1
1 845 . 4 1 1 A 76 76 ARG CA C 73 53.883 54.456 -0.573 1
1 846 . 4 1 1 A 76 76 ARG CB C 73 32.856 33.524 -0.668 1
1 849 . 4 1 1 A 76 76 ARG N N 73 117.640 120.936 -3.296 1
1 850 . 4 1 1 A 77 77 VAL H H 74 8.859 9.034 -0.175 1
1 851 . 4 1 1 A 77 77 VAL HA H 74 4.885 5.219 -0.334 1
1 859 . 4 1 1 A 77 77 VAL C C 74 176.023 175.540 0.483 1
1 860 . 4 1 1 A 77 77 VAL CA C 74 61.540 61.736 -0.196 1
1 861 . 4 1 1 A 77 77 VAL CB C 74 32.377 33.490 -1.113 1
1 864 . 4 1 1 A 77 77 VAL N N 74 124.091 127.451 -3.360 1
1 865 . 4 1 1 A 78 78 ILE H H 75 9.282 9.332 -0.050 1
1 866 . 4 1 1 A 78 78 ILE HA H 75 4.297 4.730 -0.433 1
1 876 . 4 1 1 A 78 78 ILE C C 75 175.178 175.371 -0.193 1
1 877 . 4 1 1 A 78 78 ILE CA C 75 59.850 59.858 -0.008 1
1 878 . 4 1 1 A 78 78 ILE CB C 75 37.546 41.182 -3.636 1
1 882 . 4 1 1 A 78 78 ILE N N 75 130.317 128.131 2.186 1
1 883 . 4 1 1 A 79 79 LEU H H 76 8.428 8.766 -0.338 1
1 884 . 4 1 1 A 79 79 LEU HA H 76 4.747 4.647 0.100 1
1 894 . 4 1 1 A 79 79 LEU CA C 76 52.672 53.948 -1.276 1
1 895 . 4 1 1 A 79 79 LEU CB C 76 41.865 41.574 0.291 1
1 899 . 4 1 1 A 79 79 LEU N N 76 128.194 129.179 -0.985 1
1 900 . 4 1 1 A 80 80 PRO HA H 77 4.402 4.529 -0.127 1
1 907 . 4 1 1 A 80 80 PRO C C 77 177.087 176.317 0.770 1
1 908 . 4 1 1 A 80 80 PRO CA C 77 63.104 62.121 0.983 1
1 909 . 4 1 1 A 80 80 PRO CB C 77 32.145 33.069 -0.924 1
1 912 . 4 1 1 A 81 81 LYS H H 78 8.373 8.621 -0.248 1
1 913 . 4 1 1 A 81 81 LYS HA H 78 4.205 4.042 0.163 1
1 922 . 4 1 1 A 81 81 LYS C C 78 174.200 176.981 -2.781 1
1 923 . 4 1 1 A 81 81 LYS CA C 78 57.050 57.424 -0.374 1
1 924 . 4 1 1 A 81 81 LYS CB C 78 32.750 31.442 1.308 1
1 928 . 4 1 1 A 81 81 LYS N N 78 121.644 120.322 1.322 1
1 929 . 4 1 1 A 82 82 GLU H H 79 8.452 8.284 0.168 1
1 930 . 4 1 1 A 82 82 GLU HA H 79 4.216 4.566 -0.350 1
1 935 . 4 1 1 A 82 82 GLU C C 79 176.336 176.180 0.156 1
1 936 . 4 1 1 A 82 82 GLU CA C 79 56.533 56.154 0.379 1
1 937 . 4 1 1 A 82 82 GLU CB C 79 29.996 31.666 -1.670 1
1 939 . 4 1 1 A 82 82 GLU N N 79 121.461 116.606 4.855 1
1 10 . 5 1 1 A 5 5 SER H H 2 8.403 8.835 -0.432 1
1 11 . 5 1 1 A 5 5 SER HA H 2 5.099 5.703 -0.604 1
1 14 . 5 1 1 A 5 5 SER C C 2 173.833 173.485 0.348 1
1 15 . 5 1 1 A 5 5 SER CA C 2 57.556 57.868 -0.312 1
1 16 . 5 1 1 A 5 5 SER CB C 2 65.337 65.016 0.321 1
1 17 . 5 1 1 A 5 5 SER N N 2 116.747 118.408 -1.661 1
1 18 . 5 1 1 A 6 6 ALA H H 3 8.552 9.392 -0.840 1
1 19 . 5 1 1 A 6 6 ALA HA H 3 5.040 5.525 -0.485 1
1 23 . 5 1 1 A 6 6 ALA C C 3 176.117 176.999 -0.882 1
1 24 . 5 1 1 A 6 6 ALA CA C 3 51.500 50.455 1.045 1
1 25 . 5 1 1 A 6 6 ALA CB C 3 23.991 21.117 2.874 1
1 26 . 5 1 1 A 6 6 ALA N N 3 123.072 129.684 -6.612 1
1 27 . 5 1 1 A 7 7 LYS H H 4 8.706 9.475 -0.769 1
1 28 . 5 1 1 A 7 7 LYS HA H 4 5.428 5.461 -0.033 1
1 37 . 5 1 1 A 7 7 LYS C C 4 174.490 175.493 -1.003 1
1 38 . 5 1 1 A 7 7 LYS CA C 4 54.280 55.209 -0.929 1
1 39 . 5 1 1 A 7 7 LYS CB C 4 36.399 35.155 1.244 1
1 43 . 5 1 1 A 7 7 LYS N N 4 117.868 119.903 -2.035 1
1 44 . 5 1 1 A 8 8 ILE H H 5 8.752 8.909 -0.157 1
1 45 . 5 1 1 A 8 8 ILE HA H 5 5.741 5.199 0.542 1
1 55 . 5 1 1 A 8 8 ILE C C 5 174.552 175.064 -0.512 1
1 56 . 5 1 1 A 8 8 ILE CA C 5 59.953 60.715 -0.762 1
1 57 . 5 1 1 A 8 8 ILE CB C 5 41.115 39.238 1.877 1
1 61 . 5 1 1 A 8 8 ILE N N 5 122.521 126.146 -3.625 1
1 62 . 5 1 1 A 9 9 TYR H H 6 8.980 8.650 0.330 1
1 63 . 5 1 1 A 9 9 TYR HA H 6 5.214 5.490 -0.276 1
1 68 . 5 1 1 A 9 9 TYR C C 6 171.856 172.518 -0.662 1
1 69 . 5 1 1 A 9 9 TYR CA C 6 56.053 55.974 0.079 1
1 70 . 5 1 1 A 9 9 TYR CB C 6 40.371 41.460 -1.089 1
1 72 . 5 1 1 A 9 9 TYR N N 6 122.495 124.547 -2.052 1
1 73 . 5 1 1 A 10 10 ARG H H 7 8.830 8.622 0.208 1
1 74 . 5 1 1 A 10 10 ARG HA H 7 4.498 4.698 -0.200 1
1 81 . 5 1 1 A 10 10 ARG CA C 7 51.891 52.830 -0.939 1
1 82 . 5 1 1 A 10 10 ARG CB C 7 30.299 31.829 -1.530 1
1 85 . 5 1 1 A 10 10 ARG N N 7 122.632 120.470 2.162 1
1 86 . 5 1 1 A 11 11 PRO HA H 8 4.369 4.800 -0.431 1
1 93 . 5 1 1 A 11 11 PRO C C 8 176.086 176.636 -0.550 1
1 94 . 5 1 1 A 11 11 PRO CA C 8 62.730 62.624 0.106 1
1 95 . 5 1 1 A 11 11 PRO CB C 8 32.364 33.247 -0.883 1
1 98 . 5 1 1 A 12 12 ALA H H 9 8.384 8.534 -0.150 1
1 99 . 5 1 1 A 12 12 ALA HA H 9 4.193 4.150 0.043 1
1 103 . 5 1 1 A 12 12 ALA C C 9 177.948 177.198 0.750 1
1 104 . 5 1 1 A 12 12 ALA CA C 9 52.406 53.602 -1.196 1
1 105 . 5 1 1 A 12 12 ALA CB C 9 19.441 19.543 -0.102 1
1 106 . 5 1 1 A 12 12 ALA N N 9 124.348 121.729 2.619 1
1 107 . 5 1 1 A 13 13 LYS H H 10 8.242 7.423 0.819 1
1 108 . 5 1 1 A 13 13 LYS HA H 10 4.289 5.003 -0.714 1
1 117 . 5 1 1 A 13 13 LYS C C 10 176.555 175.766 0.789 1
1 118 . 5 1 1 A 13 13 LYS CA C 10 56.345 55.020 1.325 1
1 119 . 5 1 1 A 13 13 LYS CB C 10 33.052 35.303 -2.251 1
1 123 . 5 1 1 A 13 13 LYS N N 10 120.348 115.177 5.171 1
1 124 . 5 1 1 A 14 14 THR H H 11 7.950 8.718 -0.768 1
1 125 . 5 1 1 A 14 14 THR HA H 11 4.320 4.148 0.172 1
1 130 . 5 1 1 A 14 14 THR C C 11 174.302 175.109 -0.807 1
1 131 . 5 1 1 A 14 14 THR CA C 11 61.603 64.243 -2.640 1
1 132 . 5 1 1 A 14 14 THR CB C 11 69.699 68.280 1.419 1
1 134 . 5 1 1 A 14 14 THR N N 11 112.991 115.087 -2.096 1
1 135 . 5 1 1 A 15 15 ALA H H 12 8.189 7.468 0.721 1
1 136 . 5 1 1 A 15 15 ALA HA H 12 4.250 4.404 -0.154 1
1 140 . 5 1 1 A 15 15 ALA C C 12 177.838 176.720 1.118 1
1 141 . 5 1 1 A 15 15 ALA CA C 12 52.840 53.337 -0.497 1
1 142 . 5 1 1 A 15 15 ALA CB C 12 19.231 20.405 -1.174 1
1 143 . 5 1 1 A 15 15 ALA N N 12 125.979 121.634 4.345 1
1 144 . 5 1 1 A 16 16 MET H H 13 8.110 7.940 0.170 1
1 145 . 5 1 1 A 16 16 MET HA H 13 4.374 4.583 -0.209 1
1 150 . 5 1 1 A 16 16 MET C C 13 176.148 175.144 1.004 1
1 151 . 5 1 1 A 16 16 MET CA C 13 55.595 54.218 1.377 1
1 152 . 5 1 1 A 16 16 MET CB C 13 32.625 32.610 0.015 1
1 154 . 5 1 1 A 16 16 MET N N 13 118.186 114.780 3.406 1
1 155 . 5 1 1 A 17 17 GLN H H 14 8.198 8.625 -0.427 1
1 156 . 5 1 1 A 17 17 GLN HA H 14 4.273 5.013 -0.740 1
1 161 . 5 1 1 A 17 17 GLN C C 14 175.992 175.246 0.746 1
1 162 . 5 1 1 A 17 17 GLN CA C 14 56.032 54.377 1.655 1
1 163 . 5 1 1 A 17 17 GLN CB C 14 29.371 27.023 2.348 1
1 165 . 5 1 1 A 17 17 GLN N N 14 121.811 124.844 -3.033 1
1 166 . 5 1 1 A 18 18 SER H H 15 8.275 8.310 -0.035 1
1 167 . 5 1 1 A 18 18 SER HA H 15 4.379 4.439 -0.060 1
1 170 . 5 1 1 A 18 18 SER C C 15 175.053 176.342 -1.289 1
1 171 . 5 1 1 A 18 18 SER CA C 15 58.536 61.355 -2.819 1
1 172 . 5 1 1 A 18 18 SER CB C 15 63.856 63.614 0.242 1
1 173 . 5 1 1 A 18 18 SER N N 15 116.768 120.597 -3.829 1
1 174 . 5 1 1 A 19 19 GLY H H 16 8.430 7.917 0.513 1
1 175 . 5 1 1 A 19 19 GLY HA2 H 16 4.031 4.002 0.029 1
1 176 . 5 1 1 A 19 19 GLY HA3 H 16 3.906 4.002 -0.096 1
1 177 . 5 1 1 A 19 19 GLY C C 16 174.490 175.008 -0.518 1
1 178 . 5 1 1 A 19 19 GLY CA C 16 45.580 45.354 0.226 1
1 179 . 5 1 1 A 19 19 GLY N N 16 111.050 108.615 2.435 1
1 180 . 5 1 1 A 20 20 THR H H 17 7.950 8.157 -0.207 1
1 181 . 5 1 1 A 20 20 THR HA H 17 4.289 4.550 -0.261 1
1 185 . 5 1 1 A 20 20 THR C C 17 174.427 176.441 -2.014 1
1 186 . 5 1 1 A 20 20 THR CA C 17 61.477 64.039 -2.562 1
1 188 . 5 1 1 A 20 20 THR N N 17 112.991 112.757 0.234 1
1 189 . 5 1 1 A 21 21 ALA H H 18 8.247 7.930 0.317 1
1 190 . 5 1 1 A 21 21 ALA N N 18 125.213 125.365 -0.152 1
1 191 . 5 1 1 A 22 22 LYS HA H 19 4.265 4.288 -0.023 1
1 200 . 5 1 1 A 22 22 LYS C C 19 176.774 176.791 -0.017 1
1 201 . 5 1 1 A 22 22 LYS CA C 19 56.596 57.853 -1.257 1
1 202 . 5 1 1 A 22 22 LYS CB C 19 33.126 33.333 -0.207 1
1 206 . 5 1 1 A 23 23 THR H H 20 8.004 7.599 0.405 1
1 207 . 5 1 1 A 23 23 THR HA H 20 4.333 4.862 -0.529 1
1 212 . 5 1 1 A 23 23 THR C C 20 174.083 172.829 1.254 1
1 213 . 5 1 1 A 23 23 THR CA C 20 61.682 60.296 1.386 1
1 214 . 5 1 1 A 23 23 THR CB C 20 69.908 71.585 -1.677 1
1 216 . 5 1 1 A 23 23 THR N N 20 113.978 108.361 5.617 1
1 217 . 5 1 1 A 24 24 ASN H H 21 8.289 8.636 -0.347 1
1 218 . 5 1 1 A 24 24 ASN HA H 21 4.689 4.978 -0.289 1
1 223 . 5 1 1 A 24 24 ASN C C 21 174.177 175.095 -0.918 1
1 224 . 5 1 1 A 24 24 ASN CA C 21 52.966 53.442 -0.476 1
1 225 . 5 1 1 A 24 24 ASN CB C 21 38.404 39.660 -1.256 1
1 226 . 5 1 1 A 24 24 ASN N N 21 118.085 124.379 -6.294 1
1 228 . 5 1 1 A 25 25 VAL H H 22 7.381 8.566 -1.185 1
1 229 . 5 1 1 A 25 25 VAL HA H 22 4.336 4.954 -0.618 1
1 237 . 5 1 1 A 25 25 VAL C C 22 174.271 175.127 -0.856 1
1 238 . 5 1 1 A 25 25 VAL CA C 22 61.540 59.609 1.931 1
1 239 . 5 1 1 A 25 25 VAL CB C 22 33.771 34.763 -0.992 1
1 242 . 5 1 1 A 25 25 VAL N N 22 115.156 117.597 -2.441 1
1 243 . 5 1 1 A 26 26 TRP H H 23 8.581 9.080 -0.499 1
1 244 . 5 1 1 A 26 26 TRP HA H 23 4.430 5.157 -0.727 1
1 253 . 5 1 1 A 26 26 TRP C C 23 174.803 175.602 -0.799 1
1 254 . 5 1 1 A 26 26 TRP CA C 23 56.721 56.932 -0.211 1
1 255 . 5 1 1 A 26 26 TRP CB C 23 30.651 30.673 -0.022 1
1 261 . 5 1 1 A 26 26 TRP N N 23 120.570 121.780 -1.210 1
1 263 . 5 1 1 A 27 27 VAL H H 24 9.122 8.677 0.445 1
1 264 . 5 1 1 A 27 27 VAL HA H 24 4.774 4.704 0.070 1
1 272 . 5 1 1 A 27 27 VAL C C 24 173.739 173.964 -0.225 1
1 273 . 5 1 1 A 27 27 VAL CA C 24 60.101 61.400 -1.299 1
1 274 . 5 1 1 A 27 27 VAL CB C 24 34.726 33.340 1.386 1
1 277 . 5 1 1 A 27 27 VAL N N 24 121.265 123.167 -1.902 1
1 278 . 5 1 1 A 28 28 LEU H H 25 8.713 9.072 -0.359 1
1 279 . 5 1 1 A 28 28 LEU HA H 25 5.126 5.464 -0.338 1
1 288 . 5 1 1 A 28 28 LEU C C 25 174.177 174.573 -0.396 1
1 289 . 5 1 1 A 28 28 LEU CA C 25 53.863 53.444 0.419 1
1 290 . 5 1 1 A 28 28 LEU CB C 25 46.227 44.858 1.369 1
1 293 . 5 1 1 A 28 28 LEU N N 25 125.972 129.764 -3.792 1
1 294 . 5 1 1 A 29 29 GLU H H 26 9.283 9.130 0.153 1
1 295 . 5 1 1 A 29 29 GLU HA H 26 5.353 5.661 -0.308 1
1 300 . 5 1 1 A 29 29 GLU C C 26 175.867 175.640 0.227 1
1 301 . 5 1 1 A 29 29 GLU CA C 26 53.883 55.035 -1.152 1
1 302 . 5 1 1 A 29 29 GLU CB C 26 34.594 32.997 1.597 1
1 304 . 5 1 1 A 29 29 GLU N N 26 127.083 128.306 -1.223 1
1 305 . 5 1 1 A 30 30 PHE H H 27 8.761 9.134 -0.373 1
1 306 . 5 1 1 A 30 30 PHE HA H 27 4.797 5.471 -0.674 1
1 313 . 5 1 1 A 30 30 PHE C C 27 174.959 172.377 2.582 1
1 314 . 5 1 1 A 30 30 PHE CA C 27 58.160 55.626 2.534 1
1 315 . 5 1 1 A 30 30 PHE CB C 27 40.218 42.021 -1.803 1
1 318 . 5 1 1 A 30 30 PHE N N 27 125.378 121.480 3.898 1
1 319 . 5 1 1 A 31 31 ASP H H 28 8.705 8.201 0.504 1
1 320 . 5 1 1 A 31 31 ASP HA H 28 4.735 4.511 0.224 1
1 323 . 5 1 1 A 31 31 ASP C C 28 175.898 175.502 0.396 1
1 324 . 5 1 1 A 31 31 ASP CA C 28 54.468 54.363 0.105 1
1 325 . 5 1 1 A 31 31 ASP CB C 28 41.529 41.451 0.078 1
1 326 . 5 1 1 A 31 31 ASP N N 28 121.546 120.801 0.745 1
1 327 . 5 1 1 A 32 32 ALA H H 29 8.527 8.414 0.113 1
1 328 . 5 1 1 A 32 32 ALA HA H 29 4.400 3.484 0.916 1
1 332 . 5 1 1 A 32 32 ALA C C 29 177.150 178.995 -1.845 1
1 333 . 5 1 1 A 32 32 ALA CA C 29 52.027 52.082 -0.055 1
1 334 . 5 1 1 A 32 32 ALA CB C 29 20.212 18.763 1.449 1
1 335 . 5 1 1 A 32 32 ALA N N 29 124.632 128.137 -3.505 1
1 336 . 5 1 1 A 33 33 GLU H H 30 8.481 9.008 -0.527 1
1 337 . 5 1 1 A 33 33 GLU HA H 30 4.281 4.364 -0.083 1
1 342 . 5 1 1 A 33 33 GLU C C 30 176.336 175.854 0.482 1
1 343 . 5 1 1 A 33 33 GLU CA C 30 56.309 57.014 -0.705 1
1 344 . 5 1 1 A 33 33 GLU CB C 30 30.309 28.910 1.399 1
1 346 . 5 1 1 A 33 33 GLU N N 30 120.547 119.747 0.800 1
1 347 . 5 1 1 A 34 34 VAL H H 31 8.140 7.383 0.757 1
1 348 . 5 1 1 A 34 34 VAL HA H 31 4.332 4.458 -0.126 1
1 353 . 5 1 1 A 34 34 VAL CA C 31 60.006 59.713 0.293 1
1 354 . 5 1 1 A 34 34 VAL CB C 31 32.620 33.493 -0.873 1
1 356 . 5 1 1 A 34 34 VAL N N 31 122.541 121.679 0.862 1
1 357 . 5 1 1 A 35 35 PRO HA H 32 4.343 4.564 -0.221 1
1 364 . 5 1 1 A 35 35 PRO C C 32 176.649 177.592 -0.943 1
1 365 . 5 1 1 A 35 35 PRO CA C 32 63.167 62.674 0.493 1
1 366 . 5 1 1 A 35 35 PRO CB C 32 31.999 33.251 -1.252 1
1 369 . 5 1 1 A 36 36 ARG H H 33 8.282 8.539 -0.257 1
1 370 . 5 1 1 A 36 36 ARG HA H 33 4.268 4.193 0.075 1
1 377 . 5 1 1 A 36 36 ARG C C 33 176.148 176.661 -0.513 1
1 378 . 5 1 1 A 36 36 ARG CA C 33 55.845 58.246 -2.401 1
1 379 . 5 1 1 A 36 36 ARG CB C 33 31.061 29.569 1.492 1
1 382 . 5 1 1 A 36 36 ARG N N 33 121.352 120.578 0.774 1
1 383 . 5 1 1 A 37 37 LYS H H 34 8.256 7.577 0.679 1
1 384 . 5 1 1 A 37 37 LYS HA H 34 4.265 4.225 0.040 1
1 391 . 5 1 1 A 37 37 LYS C C 34 176.054 176.232 -0.178 1
1 392 . 5 1 1 A 37 37 LYS CA C 34 56.220 56.169 0.051 1
1 393 . 5 1 1 A 37 37 LYS CB C 34 33.103 33.013 0.090 1
1 396 . 5 1 1 A 37 37 LYS N N 34 122.458 121.484 0.974 1
1 397 . 5 1 1 A 38 38 ILE H H 35 8.066 8.448 -0.382 1
1 398 . 5 1 1 A 38 38 ILE HA H 35 4.053 4.749 -0.696 1
1 408 . 5 1 1 A 38 38 ILE C C 35 175.397 174.970 0.427 1
1 409 . 5 1 1 A 38 38 ILE CA C 35 60.560 59.459 1.101 1
1 410 . 5 1 1 A 38 38 ILE CB C 35 38.883 39.962 -1.079 1
1 414 . 5 1 1 A 38 38 ILE N N 35 121.996 121.310 0.686 1
1 415 . 5 1 1 A 39 39 ASP H H 36 8.270 8.251 0.019 1
1 416 . 5 1 1 A 39 39 ASP HA H 36 4.824 4.995 -0.171 1
1 419 . 5 1 1 A 39 39 ASP CA C 36 52.138 51.780 0.358 1
1 420 . 5 1 1 A 39 39 ASP CB C 36 42.009 42.280 -0.271 1
1 421 . 5 1 1 A 39 39 ASP N N 36 126.273 124.612 1.661 1
1 422 . 5 1 1 A 40 40 PRO HA H 37 4.295 4.303 -0.008 1
1 429 . 5 1 1 A 40 40 PRO C C 37 177.275 178.876 -1.601 1
1 430 . 5 1 1 A 40 40 PRO CA C 37 63.731 65.612 -1.881 1
1 431 . 5 1 1 A 40 40 PRO CB C 37 32.135 31.872 0.263 1
1 434 . 5 1 1 A 41 41 ILE H H 38 8.115 7.291 0.824 1
1 435 . 5 1 1 A 41 41 ILE HA H 38 4.030 3.840 0.190 1
1 445 . 5 1 1 A 41 41 ILE C C 38 176.993 177.934 -0.941 1
1 446 . 5 1 1 A 41 41 ILE CA C 38 61.790 64.332 -2.542 1
1 447 . 5 1 1 A 41 41 ILE CB C 38 38.132 37.726 0.406 1
1 451 . 5 1 1 A 41 41 ILE N N 38 119.202 117.001 2.201 1
1 452 . 5 1 1 A 42 42 MET H H 39 8.189 7.862 0.327 1
1 453 . 5 1 1 A 42 42 MET HA H 39 4.351 4.177 0.174 1
1 458 . 5 1 1 A 42 42 MET C C 39 176.962 177.049 -0.087 1
1 459 . 5 1 1 A 42 42 MET CA C 39 55.532 58.451 -2.919 1
1 460 . 5 1 1 A 42 42 MET CB C 39 32.249 32.515 -0.266 1
1 462 . 5 1 1 A 42 42 MET N N 39 120.640 118.976 1.664 1
1 463 . 5 1 1 A 43 43 GLY H H 40 8.105 7.957 0.148 1
1 464 . 5 1 1 A 43 43 GLY HA2 H 40 3.931 3.953 -0.022 1
1 465 . 5 1 1 A 43 43 GLY HA3 H 40 3.740 3.957 -0.217 1
1 466 . 5 1 1 A 43 43 GLY C C 40 173.707 174.221 -0.514 1
1 467 . 5 1 1 A 43 43 GLY CA C 40 45.455 46.567 -1.112 1
1 468 . 5 1 1 A 43 43 GLY N N 40 108.720 107.192 1.528 1
1 469 . 5 1 1 A 44 44 TYR H H 41 7.984 8.149 -0.165 1
1 470 . 5 1 1 A 44 44 TYR HA H 41 4.609 4.570 0.039 1
1 477 . 5 1 1 A 44 44 TYR C C 41 175.929 175.524 0.405 1
1 478 . 5 1 1 A 44 44 TYR CA C 41 57.847 55.931 1.916 1
1 479 . 5 1 1 A 44 44 TYR CB C 41 39.008 36.465 2.543 1
1 482 . 5 1 1 A 44 44 TYR N N 41 120.435 121.318 -0.883 1
1 483 . 5 1 1 A 45 45 THR H H 42 8.112 7.689 0.423 1
1 484 . 5 1 1 A 45 45 THR HA H 42 4.281 4.305 -0.024 1
1 486 . 5 1 1 A 45 45 THR C C 42 177.024 175.903 1.121 1
1 487 . 5 1 1 A 45 45 THR CA C 42 61.540 62.529 -0.989 1
1 488 . 5 1 1 A 45 45 THR CB C 42 70.145 69.495 0.650 1
1 489 . 5 1 1 A 45 45 THR N N 42 116.187 118.476 -2.289 1
1 490 . 5 1 1 A 46 46 SER H H 43 8.447 8.203 0.244 1
1 491 . 5 1 1 A 46 46 SER N N 43 121.723 117.677 4.046 1
1 492 . 5 1 1 A 47 47 SER HA H 44 4.224 4.765 -0.541 1
1 495 . 5 1 1 A 47 47 SER CA C 44 59.935 57.603 2.332 1
1 496 . 5 1 1 A 47 47 SER CB C 44 64.763 64.315 0.448 1
1 497 . 5 1 1 A 48 48 SER HA H 45 4.365 4.534 -0.169 1
1 500 . 5 1 1 A 48 48 SER C C 45 174.302 173.183 1.119 1
1 501 . 5 1 1 A 48 48 SER CA C 45 58.704 57.634 1.070 1
1 502 . 5 1 1 A 48 48 SER CB C 45 63.564 62.368 1.196 1
1 503 . 5 1 1 A 49 49 ASP H H 46 8.198 8.347 -0.149 1
1 504 . 5 1 1 A 49 49 ASP HA H 46 4.553 4.942 -0.389 1
1 507 . 5 1 1 A 49 49 ASP C C 46 176.211 176.682 -0.471 1
1 508 . 5 1 1 A 49 49 ASP CA C 46 54.572 53.497 1.075 1
1 509 . 5 1 1 A 49 49 ASP CB C 46 40.971 42.726 -1.755 1
1 510 . 5 1 1 A 49 49 ASP N N 46 121.811 127.231 -5.420 1
1 511 . 5 1 1 A 50 50 MET H H 47 8.089 8.592 -0.503 1
1 512 . 5 1 1 A 50 50 MET HA H 47 4.374 4.395 -0.021 1
1 517 . 5 1 1 A 50 50 MET C C 47 176.100 176.218 -0.118 1
1 518 . 5 1 1 A 50 50 MET CA C 47 55.595 57.935 -2.340 1
1 519 . 5 1 1 A 50 50 MET CB C 47 32.625 34.100 -1.475 1
1 521 . 5 1 1 A 50 50 MET N N 47 120.102 120.615 -0.513 1
1 522 . 5 1 1 A 51 51 LYS H H 48 8.198 7.427 0.771 1
1 523 . 5 1 1 A 51 51 LYS HA H 48 4.343 4.598 -0.255 1
1 532 . 5 1 1 A 51 51 LYS C C 48 176.273 174.872 1.401 1
1 533 . 5 1 1 A 51 51 LYS CA C 48 56.158 55.206 0.952 1
1 534 . 5 1 1 A 51 51 LYS CB C 48 33.042 34.342 -1.300 1
1 538 . 5 1 1 A 51 51 LYS N N 48 121.811 113.042 8.769 1
1 539 . 5 1 1 A 52 52 GLN H H 49 8.372 8.314 0.058 1
1 540 . 5 1 1 A 52 52 GLN HA H 49 4.330 4.242 0.088 1
1 545 . 5 1 1 A 52 52 GLN C C 49 175.303 175.258 0.045 1
1 546 . 5 1 1 A 52 52 GLN CA C 49 55.180 55.920 -0.740 1
1 547 . 5 1 1 A 52 52 GLN CB C 49 30.017 28.203 1.814 1
1 549 . 5 1 1 A 52 52 GLN N N 49 120.928 120.229 0.699 1
1 550 . 5 1 1 A 53 53 GLN H H 50 8.366 8.441 -0.075 1
1 551 . 5 1 1 A 53 53 GLN HA H 50 4.455 4.388 0.067 1
1 558 . 5 1 1 A 53 53 GLN C C 50 175.616 175.836 -0.220 1
1 559 . 5 1 1 A 53 53 GLN CA C 50 55.825 55.592 0.233 1
1 560 . 5 1 1 A 53 53 GLN CB C 50 29.988 27.789 2.199 1
1 562 . 5 1 1 A 53 53 GLN N N 50 122.169 123.194 -1.025 1
1 564 . 5 1 1 A 54 54 VAL H H 51 8.577 7.590 0.987 1
1 565 . 5 1 1 A 54 54 VAL HA H 51 3.999 4.148 -0.149 1
1 570 . 5 1 1 A 54 54 VAL C C 51 174.678 175.900 -1.222 1
1 571 . 5 1 1 A 54 54 VAL CA C 51 62.792 62.946 -0.154 1
1 572 . 5 1 1 A 54 54 VAL CB C 51 32.809 32.361 0.448 1
1 574 . 5 1 1 A 54 54 VAL N N 51 124.540 125.484 -0.944 1
1 575 . 5 1 1 A 55 55 LYS H H 52 8.025 9.095 -1.070 1
1 576 . 5 1 1 A 55 55 LYS HA H 52 5.098 5.710 -0.612 1
1 585 . 5 1 1 A 55 55 LYS C C 52 175.397 174.939 0.458 1
1 586 . 5 1 1 A 55 55 LYS CA C 52 55.259 54.605 0.654 1
1 587 . 5 1 1 A 55 55 LYS CB C 52 35.090 35.895 -0.805 1
1 591 . 5 1 1 A 55 55 LYS N N 52 123.649 120.584 3.065 1
1 592 . 5 1 1 A 56 56 LEU H H 53 8.965 9.125 -0.160 1
1 593 . 5 1 1 A 56 56 LEU HA H 53 4.527 5.078 -0.551 1
1 602 . 5 1 1 A 56 56 LEU C C 53 175.272 176.087 -0.815 1
1 603 . 5 1 1 A 56 56 LEU CA C 53 53.385 53.248 0.137 1
1 604 . 5 1 1 A 56 56 LEU CB C 53 45.496 44.919 0.577 1
1 607 . 5 1 1 A 56 56 LEU N N 53 125.718 125.127 0.591 1
1 608 . 5 1 1 A 57 57 THR H H 54 7.647 8.743 -1.096 1
1 609 . 5 1 1 A 57 57 THR HA H 54 5.197 5.614 -0.417 1
1 614 . 5 1 1 A 57 57 THR C C 54 173.426 173.353 0.073 1
1 615 . 5 1 1 A 57 57 THR CA C 54 60.016 60.193 -0.177 1
1 616 . 5 1 1 A 57 57 THR CB C 54 71.074 70.613 0.461 1
1 618 . 5 1 1 A 57 57 THR N N 54 110.955 113.053 -2.098 1
1 619 . 5 1 1 A 58 58 PHE H H 55 9.240 9.012 0.228 1
1 620 . 5 1 1 A 58 58 PHE HA H 55 4.703 4.864 -0.161 1
1 626 . 5 1 1 A 58 58 PHE C C 55 175.225 176.060 -0.835 1
1 627 . 5 1 1 A 58 58 PHE CA C 55 56.721 56.363 0.358 1
1 628 . 5 1 1 A 58 58 PHE CB C 55 44.606 42.807 1.799 1
1 631 . 5 1 1 A 58 58 PHE N N 55 119.380 120.004 -0.624 1
1 632 . 5 1 1 A 59 59 GLU H H 56 8.828 8.852 -0.024 1
1 633 . 5 1 1 A 59 59 GLU HA H 56 4.390 4.324 0.066 1
1 638 . 5 1 1 A 59 59 GLU C C 56 176.868 176.627 0.241 1
1 639 . 5 1 1 A 59 59 GLU CA C 56 58.849 58.744 0.105 1
1 640 . 5 1 1 A 59 59 GLU CB C 56 30.977 30.887 0.090 1
1 642 . 5 1 1 A 59 59 GLU N N 56 119.209 121.756 -2.547 1
1 643 . 5 1 1 A 60 60 THR H H 57 7.090 7.550 -0.460 1
1 644 . 5 1 1 A 60 60 THR HA H 57 4.538 4.562 -0.024 1
1 649 . 5 1 1 A 60 60 THR C C 57 173.113 174.726 -1.613 1
1 650 . 5 1 1 A 60 60 THR CA C 57 58.619 59.360 -0.741 1
1 651 . 5 1 1 A 60 60 THR CB C 57 72.972 72.706 0.266 1
1 653 . 5 1 1 A 60 60 THR N N 57 102.317 110.051 -7.734 1
1 654 . 5 1 1 A 61 61 GLN H H 58 7.590 7.818 -0.228 1
1 655 . 5 1 1 A 61 61 GLN HA H 58 2.307 3.209 -0.902 1
1 662 . 5 1 1 A 61 61 GLN C C 58 177.713 177.211 0.502 1
1 663 . 5 1 1 A 61 61 GLN CA C 58 58.692 58.594 0.098 1
1 664 . 5 1 1 A 61 61 GLN CB C 58 27.689 27.700 -0.011 1
1 666 . 5 1 1 A 61 61 GLN N N 58 122.133 120.734 1.399 1
1 668 . 5 1 1 A 62 62 GLU H H 59 8.587 8.130 0.457 1
1 669 . 5 1 1 A 62 62 GLU HA H 59 3.673 3.819 -0.146 1
1 674 . 5 1 1 A 62 62 GLU C C 59 179.337 179.205 0.132 1
1 675 . 5 1 1 A 62 62 GLU CA C 59 59.847 59.129 0.718 1
1 676 . 5 1 1 A 62 62 GLU CB C 59 28.578 29.189 -0.611 1
1 678 . 5 1 1 A 62 62 GLU N N 59 117.069 117.954 -0.885 1
1 679 . 5 1 1 A 63 63 GLN H H 60 7.671 7.262 0.409 1
1 680 . 5 1 1 A 63 63 GLN HA H 60 3.812 3.924 -0.112 1
1 687 . 5 1 1 A 63 63 GLN C C 60 178.339 177.708 0.631 1
1 688 . 5 1 1 A 63 63 GLN CA C 60 58.411 58.373 0.038 1
1 689 . 5 1 1 A 63 63 GLN CB C 60 29.308 28.164 1.144 1
1 691 . 5 1 1 A 63 63 GLN N N 60 118.959 118.702 0.257 1
1 693 . 5 1 1 A 64 64 ALA H H 61 6.836 7.437 -0.601 1
1 694 . 5 1 1 A 64 64 ALA HA H 61 1.982 2.658 -0.676 1
1 698 . 5 1 1 A 64 64 ALA C C 61 178.151 179.077 -0.926 1
1 699 . 5 1 1 A 64 64 ALA CA C 61 54.112 54.414 -0.302 1
1 700 . 5 1 1 A 64 64 ALA CB C 61 18.627 17.976 0.651 1
1 701 . 5 1 1 A 64 64 ALA N N 61 123.296 122.193 1.103 1
1 702 . 5 1 1 A 65 65 GLU H H 62 8.014 8.030 -0.016 1
1 703 . 5 1 1 A 65 65 GLU HA H 62 2.853 3.493 -0.640 1
1 708 . 5 1 1 A 65 65 GLU C C 62 177.901 178.520 -0.619 1
1 709 . 5 1 1 A 65 65 GLU CA C 62 60.601 58.885 1.716 1
1 710 . 5 1 1 A 65 65 GLU CB C 62 30.597 28.600 1.997 1
1 712 . 5 1 1 A 65 65 GLU N N 62 115.643 116.234 -0.591 1
1 713 . 5 1 1 A 66 66 ALA H H 63 7.954 7.547 0.407 1
1 714 . 5 1 1 A 66 66 ALA HA H 63 3.812 3.970 -0.158 1
1 718 . 5 1 1 A 66 66 ALA C C 63 180.245 179.187 1.058 1
1 719 . 5 1 1 A 66 66 ALA CA C 63 54.968 54.688 0.280 1
1 720 . 5 1 1 A 66 66 ALA CB C 63 17.876 17.966 -0.090 1
1 721 . 5 1 1 A 66 66 ALA N N 63 120.250 121.701 -1.451 1
1 722 . 5 1 1 A 67 67 TYR H H 64 7.373 7.812 -0.439 1
1 723 . 5 1 1 A 67 67 TYR HA H 64 3.789 4.038 -0.249 1
1 730 . 5 1 1 A 67 67 TYR C C 64 176.680 176.557 0.123 1
1 731 . 5 1 1 A 67 67 TYR CA C 64 61.624 61.731 -0.107 1
1 732 . 5 1 1 A 67 67 TYR CB C 64 38.947 38.466 0.481 1
1 735 . 5 1 1 A 67 67 TYR N N 64 119.523 119.782 -0.259 1
1 736 . 5 1 1 A 68 68 ALA H H 65 7.653 7.658 -0.005 1
1 737 . 5 1 1 A 68 68 ALA HA H 65 3.608 3.662 -0.054 1
1 741 . 5 1 1 A 68 68 ALA C C 65 179.650 179.790 -0.140 1
1 742 . 5 1 1 A 68 68 ALA CA C 65 55.407 55.069 0.338 1
1 743 . 5 1 1 A 68 68 ALA CB C 65 18.001 17.872 0.129 1
1 744 . 5 1 1 A 68 68 ALA N N 65 120.416 121.482 -1.066 1
1 745 . 5 1 1 A 69 69 GLN H H 66 8.491 8.045 0.446 1
1 746 . 5 1 1 A 69 69 GLN HA H 66 4.150 3.879 0.271 1
1 753 . 5 1 1 A 69 69 GLN C C 66 180.119 178.274 1.845 1
1 754 . 5 1 1 A 69 69 GLN CA C 66 58.639 59.030 -0.391 1
1 755 . 5 1 1 A 69 69 GLN CB C 66 28.035 28.326 -0.291 1
1 757 . 5 1 1 A 69 69 GLN N N 66 115.832 117.163 -1.331 1
1 759 . 5 1 1 A 70 70 ARG H H 67 7.962 7.829 0.133 1
1 760 . 5 1 1 A 70 70 ARG HA H 67 3.991 4.055 -0.064 1
1 767 . 5 1 1 A 70 70 ARG C C 67 178.370 178.004 0.366 1
1 768 . 5 1 1 A 70 70 ARG CA C 67 58.849 59.000 -0.151 1
1 769 . 5 1 1 A 70 70 ARG CB C 67 29.735 29.610 0.125 1
1 772 . 5 1 1 A 70 70 ARG N N 67 120.213 120.096 0.117 1
1 773 . 5 1 1 A 71 71 LYS H H 68 7.506 7.152 0.354 1
1 774 . 5 1 1 A 71 71 LYS HA H 68 4.132 4.215 -0.083 1
1 783 . 5 1 1 A 71 71 LYS C C 68 176.712 176.978 -0.266 1
1 784 . 5 1 1 A 71 71 LYS CA C 68 54.781 55.848 -1.067 1
1 785 . 5 1 1 A 71 71 LYS CB C 68 32.447 33.023 -0.576 1
1 789 . 5 1 1 A 71 71 LYS N N 68 115.757 115.835 -0.078 1
1 790 . 5 1 1 A 72 72 GLY H H 69 7.680 7.754 -0.074 1
1 791 . 5 1 1 A 72 72 GLY HA2 H 69 3.887 3.963 -0.076 1
1 792 . 5 1 1 A 72 72 GLY HA3 H 69 3.818 3.964 -0.146 1
1 793 . 5 1 1 A 72 72 GLY C C 69 175.415 174.376 1.039 1
1 794 . 5 1 1 A 72 72 GLY CA C 69 46.621 45.040 1.581 1
1 795 . 5 1 1 A 72 72 GLY N N 69 109.542 105.765 3.777 1
1 796 . 5 1 1 A 73 73 ILE H H 70 8.180 7.413 0.767 1
1 797 . 5 1 1 A 73 73 ILE HA H 70 3.951 4.046 -0.095 1
1 805 . 5 1 1 A 73 73 ILE C C 70 175.835 175.750 0.085 1
1 806 . 5 1 1 A 73 73 ILE CA C 70 60.560 61.299 -0.739 1
1 807 . 5 1 1 A 73 73 ILE CB C 70 40.035 37.961 2.074 1
1 810 . 5 1 1 A 73 73 ILE N N 70 121.234 122.876 -1.642 1
1 811 . 5 1 1 A 74 74 GLU H H 71 8.428 8.504 -0.076 1
1 812 . 5 1 1 A 74 74 GLU HA H 71 4.289 4.307 -0.018 1
1 817 . 5 1 1 A 74 74 GLU C C 71 175.460 176.375 -0.915 1
1 818 . 5 1 1 A 74 74 GLU CA C 71 56.533 56.876 -0.343 1
1 819 . 5 1 1 A 74 74 GLU CB C 71 29.683 29.898 -0.215 1
1 821 . 5 1 1 A 74 74 GLU N N 71 129.096 128.133 0.963 1
1 822 . 5 1 1 A 75 75 TYR H H 72 8.004 8.610 -0.606 1
1 823 . 5 1 1 A 75 75 TYR HA H 72 5.805 5.855 -0.050 1
1 830 . 5 1 1 A 75 75 TYR C C 72 173.332 172.478 0.854 1
1 831 . 5 1 1 A 75 75 TYR CA C 72 55.323 55.591 -0.268 1
1 832 . 5 1 1 A 75 75 TYR CB C 72 42.290 42.182 0.108 1
1 835 . 5 1 1 A 75 75 TYR N N 72 120.850 117.928 2.922 1
1 836 . 5 1 1 A 76 76 ARG H H 73 7.936 8.949 -1.013 1
1 837 . 5 1 1 A 76 76 ARG HA H 73 4.656 4.922 -0.266 1
1 844 . 5 1 1 A 76 76 ARG C C 73 174.302 174.906 -0.604 1
1 845 . 5 1 1 A 76 76 ARG CA C 73 53.883 54.792 -0.909 1
1 846 . 5 1 1 A 76 76 ARG CB C 73 32.856 32.954 -0.098 1
1 849 . 5 1 1 A 76 76 ARG N N 73 117.640 121.138 -3.498 1
1 850 . 5 1 1 A 77 77 VAL H H 74 8.859 8.806 0.053 1
1 851 . 5 1 1 A 77 77 VAL HA H 74 4.885 4.733 0.152 1
1 859 . 5 1 1 A 77 77 VAL C C 74 176.023 175.613 0.410 1
1 860 . 5 1 1 A 77 77 VAL CA C 74 61.540 62.505 -0.965 1
1 861 . 5 1 1 A 77 77 VAL CB C 74 32.377 32.228 0.149 1
1 864 . 5 1 1 A 77 77 VAL N N 74 124.091 126.457 -2.366 1
1 865 . 5 1 1 A 78 78 ILE H H 75 9.282 9.482 -0.200 1
1 866 . 5 1 1 A 78 78 ILE HA H 75 4.297 4.766 -0.469 1
1 876 . 5 1 1 A 78 78 ILE C C 75 175.178 175.808 -0.630 1
1 877 . 5 1 1 A 78 78 ILE CA C 75 59.850 59.789 0.061 1
1 878 . 5 1 1 A 78 78 ILE CB C 75 37.546 40.932 -3.386 1
1 882 . 5 1 1 A 78 78 ILE N N 75 130.317 128.429 1.888 1
1 883 . 5 1 1 A 79 79 LEU H H 76 8.428 8.695 -0.267 1
1 884 . 5 1 1 A 79 79 LEU HA H 76 4.747 4.536 0.211 1
1 894 . 5 1 1 A 79 79 LEU CA C 76 52.672 54.029 -1.357 1
1 895 . 5 1 1 A 79 79 LEU CB C 76 41.865 42.239 -0.374 1
1 899 . 5 1 1 A 79 79 LEU N N 76 128.194 129.015 -0.821 1
1 900 . 5 1 1 A 80 80 PRO HA H 77 4.402 4.573 -0.171 1
1 907 . 5 1 1 A 80 80 PRO C C 77 177.087 177.396 -0.309 1
1 908 . 5 1 1 A 80 80 PRO CA C 77 63.104 62.010 1.094 1
1 909 . 5 1 1 A 80 80 PRO CB C 77 32.145 32.774 -0.629 1
1 912 . 5 1 1 A 81 81 LYS H H 78 8.373 8.552 -0.179 1
1 913 . 5 1 1 A 81 81 LYS HA H 78 4.205 3.986 0.219 1
1 922 . 5 1 1 A 81 81 LYS C C 78 174.200 177.773 -3.573 1
1 923 . 5 1 1 A 81 81 LYS CA C 78 57.050 58.864 -1.814 1
1 924 . 5 1 1 A 81 81 LYS CB C 78 32.750 31.793 0.957 1
1 928 . 5 1 1 A 81 81 LYS N N 78 121.644 122.486 -0.842 1
1 929 . 5 1 1 A 82 82 GLU H H 79 8.452 8.427 0.025 1
1 930 . 5 1 1 A 82 82 GLU HA H 79 4.216 4.128 0.088 1
1 935 . 5 1 1 A 82 82 GLU C C 79 176.336 178.216 -1.880 1
1 936 . 5 1 1 A 82 82 GLU CA C 79 56.533 58.595 -2.062 1
1 937 . 5 1 1 A 82 82 GLU CB C 79 29.996 28.676 1.320 1
1 939 . 5 1 1 A 82 82 GLU N N 79 121.461 119.855 1.606 1
1 10 . 6 1 1 A 5 5 SER H H 2 8.403 9.061 -0.658 1
1 11 . 6 1 1 A 5 5 SER HA H 2 5.099 5.760 -0.661 1
1 14 . 6 1 1 A 5 5 SER C C 2 173.833 172.908 0.925 1
1 15 . 6 1 1 A 5 5 SER CA C 2 57.556 56.654 0.902 1
1 16 . 6 1 1 A 5 5 SER CB C 2 65.337 65.011 0.326 1
1 17 . 6 1 1 A 5 5 SER N N 2 116.747 118.526 -1.779 1
1 18 . 6 1 1 A 6 6 ALA H H 3 8.552 9.244 -0.692 1
1 19 . 6 1 1 A 6 6 ALA HA H 3 5.040 5.488 -0.448 1
1 23 . 6 1 1 A 6 6 ALA C C 3 176.117 177.048 -0.931 1
1 24 . 6 1 1 A 6 6 ALA CA C 3 51.500 50.420 1.080 1
1 25 . 6 1 1 A 6 6 ALA CB C 3 23.991 21.091 2.900 1
1 26 . 6 1 1 A 6 6 ALA N N 3 123.072 128.528 -5.456 1
1 27 . 6 1 1 A 7 7 LYS H H 4 8.706 9.461 -0.755 1
1 28 . 6 1 1 A 7 7 LYS HA H 4 5.428 5.278 0.150 1
1 37 . 6 1 1 A 7 7 LYS C C 4 174.490 175.560 -1.070 1
1 38 . 6 1 1 A 7 7 LYS CA C 4 54.280 55.328 -1.048 1
1 39 . 6 1 1 A 7 7 LYS CB C 4 36.399 34.640 1.759 1
1 43 . 6 1 1 A 7 7 LYS N N 4 117.868 120.349 -2.481 1
1 44 . 6 1 1 A 8 8 ILE H H 5 8.752 9.043 -0.291 1
1 45 . 6 1 1 A 8 8 ILE HA H 5 5.741 5.132 0.609 1
1 55 . 6 1 1 A 8 8 ILE C C 5 174.552 175.003 -0.451 1
1 56 . 6 1 1 A 8 8 ILE CA C 5 59.953 60.743 -0.790 1
1 57 . 6 1 1 A 8 8 ILE CB C 5 41.115 39.091 2.024 1
1 61 . 6 1 1 A 8 8 ILE N N 5 122.521 126.259 -3.738 1
1 62 . 6 1 1 A 9 9 TYR H H 6 8.980 8.606 0.374 1
1 63 . 6 1 1 A 9 9 TYR HA H 6 5.214 5.493 -0.279 1
1 68 . 6 1 1 A 9 9 TYR C C 6 171.856 172.561 -0.705 1
1 69 . 6 1 1 A 9 9 TYR CA C 6 56.053 55.956 0.097 1
1 70 . 6 1 1 A 9 9 TYR CB C 6 40.371 41.480 -1.109 1
1 72 . 6 1 1 A 9 9 TYR N N 6 122.495 124.542 -2.047 1
1 73 . 6 1 1 A 10 10 ARG H H 7 8.830 8.549 0.281 1
1 74 . 6 1 1 A 10 10 ARG HA H 7 4.498 4.633 -0.135 1
1 81 . 6 1 1 A 10 10 ARG CA C 7 51.891 52.776 -0.885 1
1 82 . 6 1 1 A 10 10 ARG CB C 7 30.299 31.673 -1.374 1
1 85 . 6 1 1 A 10 10 ARG N N 7 122.632 120.538 2.094 1
1 86 . 6 1 1 A 11 11 PRO HA H 8 4.369 4.653 -0.284 1
1 93 . 6 1 1 A 11 11 PRO C C 8 176.086 177.654 -1.568 1
1 94 . 6 1 1 A 11 11 PRO CA C 8 62.730 62.762 -0.032 1
1 95 . 6 1 1 A 11 11 PRO CB C 8 32.364 33.078 -0.714 1
1 98 . 6 1 1 A 12 12 ALA H H 9 8.384 8.581 -0.197 1
1 99 . 6 1 1 A 12 12 ALA HA H 9 4.193 4.044 0.149 1
1 103 . 6 1 1 A 12 12 ALA C C 9 177.948 178.085 -0.137 1
1 104 . 6 1 1 A 12 12 ALA CA C 9 52.406 54.897 -2.491 1
1 105 . 6 1 1 A 12 12 ALA CB C 9 19.441 18.441 1.000 1
1 106 . 6 1 1 A 12 12 ALA N N 9 124.348 124.783 -0.435 1
1 107 . 6 1 1 A 13 13 LYS H H 10 8.242 7.847 0.395 1
1 108 . 6 1 1 A 13 13 LYS HA H 10 4.289 4.466 -0.177 1
1 117 . 6 1 1 A 13 13 LYS C C 10 176.555 175.879 0.676 1
1 118 . 6 1 1 A 13 13 LYS CA C 10 56.345 55.998 0.347 1
1 119 . 6 1 1 A 13 13 LYS CB C 10 33.052 32.072 0.980 1
1 123 . 6 1 1 A 13 13 LYS N N 10 120.348 113.955 6.393 1
1 124 . 6 1 1 A 14 14 THR H H 11 7.950 8.341 -0.391 1
1 125 . 6 1 1 A 14 14 THR HA H 11 4.320 4.784 -0.464 1
1 130 . 6 1 1 A 14 14 THR C C 11 174.302 174.914 -0.612 1
1 131 . 6 1 1 A 14 14 THR CA C 11 61.603 60.587 1.016 1
1 132 . 6 1 1 A 14 14 THR CB C 11 69.699 71.472 -1.773 1
1 134 . 6 1 1 A 14 14 THR N N 11 112.991 115.454 -2.463 1
1 135 . 6 1 1 A 15 15 ALA H H 12 8.189 8.308 -0.119 1
1 136 . 6 1 1 A 15 15 ALA HA H 12 4.250 3.994 0.256 1
1 140 . 6 1 1 A 15 15 ALA C C 12 177.838 178.157 -0.319 1
1 141 . 6 1 1 A 15 15 ALA CA C 12 52.840 53.185 -0.345 1
1 142 . 6 1 1 A 15 15 ALA CB C 12 19.231 18.803 0.428 1
1 143 . 6 1 1 A 15 15 ALA N N 12 125.979 123.595 2.384 1
1 144 . 6 1 1 A 16 16 MET H H 13 8.110 8.852 -0.742 1
1 145 . 6 1 1 A 16 16 MET HA H 13 4.374 4.071 0.303 1
1 150 . 6 1 1 A 16 16 MET C C 13 176.148 175.160 0.988 1
1 151 . 6 1 1 A 16 16 MET CA C 13 55.595 56.634 -1.039 1
1 152 . 6 1 1 A 16 16 MET CB C 13 32.625 30.846 1.779 1
1 154 . 6 1 1 A 16 16 MET N N 13 118.186 116.750 1.436 1
1 155 . 6 1 1 A 17 17 GLN H H 14 8.198 7.849 0.349 1
1 156 . 6 1 1 A 17 17 GLN HA H 14 4.273 3.885 0.388 1
1 161 . 6 1 1 A 17 17 GLN C C 14 175.992 176.263 -0.271 1
1 162 . 6 1 1 A 17 17 GLN CA C 14 56.032 57.843 -1.811 1
1 163 . 6 1 1 A 17 17 GLN CB C 14 29.371 28.396 0.975 1
1 165 . 6 1 1 A 17 17 GLN N N 14 121.811 119.547 2.264 1
1 166 . 6 1 1 A 18 18 SER H H 15 8.275 8.935 -0.660 1
1 167 . 6 1 1 A 18 18 SER HA H 15 4.379 4.496 -0.117 1
1 170 . 6 1 1 A 18 18 SER C C 15 175.053 175.476 -0.423 1
1 171 . 6 1 1 A 18 18 SER CA C 15 58.536 59.882 -1.346 1
1 172 . 6 1 1 A 18 18 SER CB C 15 63.856 62.863 0.993 1
1 173 . 6 1 1 A 18 18 SER N N 15 116.768 122.040 -5.272 1
1 174 . 6 1 1 A 19 19 GLY H H 16 8.430 7.788 0.642 1
1 175 . 6 1 1 A 19 19 GLY HA2 H 16 4.031 3.976 0.055 1
1 176 . 6 1 1 A 19 19 GLY HA3 H 16 3.906 3.977 -0.071 1
1 177 . 6 1 1 A 19 19 GLY C C 16 174.490 174.349 0.141 1
1 178 . 6 1 1 A 19 19 GLY CA C 16 45.580 45.136 0.444 1
1 179 . 6 1 1 A 19 19 GLY N N 16 111.050 107.407 3.643 1
1 180 . 6 1 1 A 20 20 THR H H 17 7.950 7.715 0.235 1
1 181 . 6 1 1 A 20 20 THR HA H 17 4.289 4.440 -0.151 1
1 185 . 6 1 1 A 20 20 THR C C 17 174.427 173.638 0.789 1
1 186 . 6 1 1 A 20 20 THR CA C 17 61.477 60.803 0.674 1
1 188 . 6 1 1 A 20 20 THR N N 17 112.991 114.667 -1.676 1
1 189 . 6 1 1 A 21 21 ALA H H 18 8.247 7.555 0.692 1
1 190 . 6 1 1 A 21 21 ALA N N 18 125.213 126.068 -0.855 1
1 191 . 6 1 1 A 22 22 LYS HA H 19 4.265 3.890 0.375 1
1 200 . 6 1 1 A 22 22 LYS C C 19 176.774 176.281 0.493 1
1 201 . 6 1 1 A 22 22 LYS CA C 19 56.596 58.323 -1.727 1
1 202 . 6 1 1 A 22 22 LYS CB C 19 33.126 30.292 2.834 1
1 206 . 6 1 1 A 23 23 THR H H 20 8.004 7.896 0.108 1
1 207 . 6 1 1 A 23 23 THR HA H 20 4.333 4.222 0.111 1
1 212 . 6 1 1 A 23 23 THR C C 20 174.083 174.507 -0.424 1
1 213 . 6 1 1 A 23 23 THR CA C 20 61.682 63.836 -2.154 1
1 214 . 6 1 1 A 23 23 THR CB C 20 69.908 68.909 0.999 1
1 216 . 6 1 1 A 23 23 THR N N 20 113.978 114.688 -0.710 1
1 217 . 6 1 1 A 24 24 ASN H H 21 8.289 7.432 0.857 1
1 218 . 6 1 1 A 24 24 ASN HA H 21 4.689 4.545 0.144 1
1 223 . 6 1 1 A 24 24 ASN C C 21 174.177 174.810 -0.633 1
1 224 . 6 1 1 A 24 24 ASN CA C 21 52.966 53.682 -0.716 1
1 225 . 6 1 1 A 24 24 ASN CB C 21 38.404 38.749 -0.345 1
1 226 . 6 1 1 A 24 24 ASN N N 21 118.085 120.389 -2.304 1
1 228 . 6 1 1 A 25 25 VAL H H 22 7.381 8.799 -1.418 1
1 229 . 6 1 1 A 25 25 VAL HA H 22 4.336 5.113 -0.777 1
1 237 . 6 1 1 A 25 25 VAL C C 22 174.271 174.950 -0.679 1
1 238 . 6 1 1 A 25 25 VAL CA C 22 61.540 59.175 2.365 1
1 239 . 6 1 1 A 25 25 VAL CB C 22 33.771 35.747 -1.976 1
1 242 . 6 1 1 A 25 25 VAL N N 22 115.156 118.574 -3.418 1
1 243 . 6 1 1 A 26 26 TRP H H 23 8.581 9.021 -0.440 1
1 244 . 6 1 1 A 26 26 TRP HA H 23 4.430 5.145 -0.715 1
1 253 . 6 1 1 A 26 26 TRP C C 23 174.803 175.630 -0.827 1
1 254 . 6 1 1 A 26 26 TRP CA C 23 56.721 56.812 -0.091 1
1 255 . 6 1 1 A 26 26 TRP CB C 23 30.651 30.585 0.066 1
1 261 . 6 1 1 A 26 26 TRP N N 23 120.570 122.175 -1.605 1
1 263 . 6 1 1 A 27 27 VAL H H 24 9.122 8.635 0.487 1
1 264 . 6 1 1 A 27 27 VAL HA H 24 4.774 4.509 0.265 1
1 272 . 6 1 1 A 27 27 VAL C C 24 173.739 173.963 -0.224 1
1 273 . 6 1 1 A 27 27 VAL CA C 24 60.101 61.384 -1.283 1
1 274 . 6 1 1 A 27 27 VAL CB C 24 34.726 33.313 1.413 1
1 277 . 6 1 1 A 27 27 VAL N N 24 121.265 123.125 -1.860 1
1 278 . 6 1 1 A 28 28 LEU H H 25 8.713 9.079 -0.366 1
1 279 . 6 1 1 A 28 28 LEU HA H 25 5.126 5.258 -0.132 1
1 288 . 6 1 1 A 28 28 LEU C C 25 174.177 174.639 -0.462 1
1 289 . 6 1 1 A 28 28 LEU CA C 25 53.863 53.471 0.392 1
1 290 . 6 1 1 A 28 28 LEU CB C 25 46.227 44.773 1.454 1
1 293 . 6 1 1 A 28 28 LEU N N 25 125.972 129.788 -3.816 1
1 294 . 6 1 1 A 29 29 GLU H H 26 9.283 9.184 0.099 1
1 295 . 6 1 1 A 29 29 GLU HA H 26 5.353 5.452 -0.099 1
1 300 . 6 1 1 A 29 29 GLU C C 26 175.867 175.388 0.479 1
1 301 . 6 1 1 A 29 29 GLU CA C 26 53.883 54.835 -0.952 1
1 302 . 6 1 1 A 29 29 GLU CB C 26 34.594 33.186 1.408 1
1 304 . 6 1 1 A 29 29 GLU N N 26 127.083 128.664 -1.581 1
1 305 . 6 1 1 A 30 30 PHE H H 27 8.761 8.591 0.170 1
1 306 . 6 1 1 A 30 30 PHE HA H 27 4.797 5.324 -0.527 1
1 313 . 6 1 1 A 30 30 PHE C C 27 174.959 173.212 1.747 1
1 314 . 6 1 1 A 30 30 PHE CA C 27 58.160 55.751 2.409 1
1 315 . 6 1 1 A 30 30 PHE CB C 27 40.218 42.001 -1.783 1
1 318 . 6 1 1 A 30 30 PHE N N 27 125.378 121.350 4.028 1
1 319 . 6 1 1 A 31 31 ASP H H 28 8.705 8.874 -0.169 1
1 320 . 6 1 1 A 31 31 ASP HA H 28 4.735 4.672 0.063 1
1 323 . 6 1 1 A 31 31 ASP C C 28 175.898 176.482 -0.584 1
1 324 . 6 1 1 A 31 31 ASP CA C 28 54.468 54.758 -0.290 1
1 325 . 6 1 1 A 31 31 ASP CB C 28 41.529 40.894 0.635 1
1 326 . 6 1 1 A 31 31 ASP N N 28 121.546 120.444 1.102 1
1 327 . 6 1 1 A 32 32 ALA H H 29 8.527 8.180 0.347 1
1 328 . 6 1 1 A 32 32 ALA HA H 29 4.400 4.346 0.054 1
1 332 . 6 1 1 A 32 32 ALA C C 29 177.150 178.986 -1.836 1
1 333 . 6 1 1 A 32 32 ALA CA C 29 52.027 53.074 -1.047 1
1 334 . 6 1 1 A 32 32 ALA CB C 29 20.212 19.475 0.737 1
1 335 . 6 1 1 A 32 32 ALA N N 29 124.632 128.572 -3.940 1
1 336 . 6 1 1 A 33 33 GLU H H 30 8.481 9.123 -0.642 1
1 337 . 6 1 1 A 33 33 GLU HA H 30 4.281 4.227 0.054 1
1 342 . 6 1 1 A 33 33 GLU C C 30 176.336 176.268 0.068 1
1 343 . 6 1 1 A 33 33 GLU CA C 30 56.309 58.186 -1.877 1
1 344 . 6 1 1 A 33 33 GLU CB C 30 30.309 29.141 1.168 1
1 346 . 6 1 1 A 33 33 GLU N N 30 120.547 122.094 -1.547 1
1 347 . 6 1 1 A 34 34 VAL H H 31 8.140 7.576 0.564 1
1 348 . 6 1 1 A 34 34 VAL HA H 31 4.332 4.424 -0.092 1
1 353 . 6 1 1 A 34 34 VAL CA C 31 60.006 60.372 -0.366 1
1 354 . 6 1 1 A 34 34 VAL CB C 31 32.620 33.078 -0.458 1
1 356 . 6 1 1 A 34 34 VAL N N 31 122.541 122.020 0.521 1
1 357 . 6 1 1 A 35 35 PRO HA H 32 4.343 4.619 -0.276 1
1 364 . 6 1 1 A 35 35 PRO C C 32 176.649 176.621 0.028 1
1 365 . 6 1 1 A 35 35 PRO CA C 32 63.167 62.291 0.876 1
1 366 . 6 1 1 A 35 35 PRO CB C 32 31.999 33.049 -1.050 1
1 369 . 6 1 1 A 36 36 ARG H H 33 8.282 8.432 -0.150 1
1 370 . 6 1 1 A 36 36 ARG HA H 33 4.268 4.474 -0.206 1
1 377 . 6 1 1 A 36 36 ARG C C 33 176.148 175.269 0.879 1
1 378 . 6 1 1 A 36 36 ARG CA C 33 55.845 56.013 -0.168 1
1 379 . 6 1 1 A 36 36 ARG CB C 33 31.061 29.282 1.779 1
1 382 . 6 1 1 A 36 36 ARG N N 33 121.352 119.926 1.426 1
1 383 . 6 1 1 A 37 37 LYS H H 34 8.256 8.251 0.005 1
1 384 . 6 1 1 A 37 37 LYS HA H 34 4.265 4.575 -0.310 1
1 391 . 6 1 1 A 37 37 LYS C C 34 176.054 175.277 0.777 1
1 392 . 6 1 1 A 37 37 LYS CA C 34 56.220 55.185 1.035 1
1 393 . 6 1 1 A 37 37 LYS CB C 34 33.103 33.700 -0.597 1
1 396 . 6 1 1 A 37 37 LYS N N 34 122.458 125.433 -2.975 1
1 397 . 6 1 1 A 38 38 ILE H H 35 8.066 7.276 0.790 1
1 398 . 6 1 1 A 38 38 ILE HA H 35 4.053 4.251 -0.198 1
1 408 . 6 1 1 A 38 38 ILE C C 35 175.397 175.439 -0.042 1
1 409 . 6 1 1 A 38 38 ILE CA C 35 60.560 60.171 0.389 1
1 410 . 6 1 1 A 38 38 ILE CB C 35 38.883 39.278 -0.395 1
1 414 . 6 1 1 A 38 38 ILE N N 35 121.996 118.609 3.387 1
1 415 . 6 1 1 A 39 39 ASP H H 36 8.270 8.733 -0.463 1
1 416 . 6 1 1 A 39 39 ASP HA H 36 4.824 4.733 0.091 1
1 419 . 6 1 1 A 39 39 ASP CA C 36 52.138 52.231 -0.093 1
1 420 . 6 1 1 A 39 39 ASP CB C 36 42.009 40.688 1.321 1
1 421 . 6 1 1 A 39 39 ASP N N 36 126.273 122.946 3.327 1
1 422 . 6 1 1 A 40 40 PRO HA H 37 4.295 4.499 -0.204 1
1 429 . 6 1 1 A 40 40 PRO C C 37 177.275 177.811 -0.536 1
1 430 . 6 1 1 A 40 40 PRO CA C 37 63.731 64.129 -0.398 1
1 431 . 6 1 1 A 40 40 PRO CB C 37 32.135 31.826 0.309 1
1 434 . 6 1 1 A 41 41 ILE H H 38 8.115 7.624 0.491 1
1 435 . 6 1 1 A 41 41 ILE HA H 38 4.030 3.873 0.157 1
1 445 . 6 1 1 A 41 41 ILE C C 38 176.993 178.416 -1.423 1
1 446 . 6 1 1 A 41 41 ILE CA C 38 61.790 63.837 -2.047 1
1 447 . 6 1 1 A 41 41 ILE CB C 38 38.132 36.999 1.133 1
1 451 . 6 1 1 A 41 41 ILE N N 38 119.202 117.247 1.955 1
1 452 . 6 1 1 A 42 42 MET H H 39 8.189 7.689 0.500 1
1 453 . 6 1 1 A 42 42 MET HA H 39 4.351 4.217 0.134 1
1 458 . 6 1 1 A 42 42 MET C C 39 176.962 177.225 -0.263 1
1 459 . 6 1 1 A 42 42 MET CA C 39 55.532 58.404 -2.872 1
1 460 . 6 1 1 A 42 42 MET CB C 39 32.249 33.078 -0.829 1
1 462 . 6 1 1 A 42 42 MET N N 39 120.640 120.517 0.123 1
1 463 . 6 1 1 A 43 43 GLY H H 40 8.105 8.126 -0.021 1
1 464 . 6 1 1 A 43 43 GLY HA2 H 40 3.931 3.786 0.145 1
1 465 . 6 1 1 A 43 43 GLY HA3 H 40 3.740 3.884 -0.144 1
1 466 . 6 1 1 A 43 43 GLY C C 40 173.707 174.404 -0.697 1
1 467 . 6 1 1 A 43 43 GLY CA C 40 45.455 45.357 0.098 1
1 468 . 6 1 1 A 43 43 GLY N N 40 108.720 106.701 2.019 1
1 469 . 6 1 1 A 44 44 TYR H H 41 7.984 8.420 -0.436 1
1 470 . 6 1 1 A 44 44 TYR HA H 41 4.609 4.101 0.508 1
1 477 . 6 1 1 A 44 44 TYR C C 41 175.929 174.120 1.809 1
1 478 . 6 1 1 A 44 44 TYR CA C 41 57.847 58.873 -1.026 1
1 479 . 6 1 1 A 44 44 TYR CB C 41 39.008 35.806 3.202 1
1 482 . 6 1 1 A 44 44 TYR N N 41 120.435 118.576 1.859 1
1 483 . 6 1 1 A 45 45 THR H H 42 8.112 7.731 0.381 1
1 484 . 6 1 1 A 45 45 THR HA H 42 4.281 4.663 -0.382 1
1 486 . 6 1 1 A 45 45 THR C C 42 177.024 174.520 2.504 1
1 487 . 6 1 1 A 45 45 THR CA C 42 61.540 60.497 1.043 1
1 488 . 6 1 1 A 45 45 THR CB C 42 70.145 67.961 2.184 1
1 489 . 6 1 1 A 45 45 THR N N 42 116.187 114.550 1.637 1
1 490 . 6 1 1 A 46 46 SER H H 43 8.447 8.688 -0.241 1
1 491 . 6 1 1 A 46 46 SER N N 43 121.723 124.036 -2.313 1
1 492 . 6 1 1 A 47 47 SER HA H 44 4.224 4.488 -0.264 1
1 495 . 6 1 1 A 47 47 SER CA C 44 59.935 57.954 1.981 1
1 496 . 6 1 1 A 47 47 SER CB C 44 64.763 64.417 0.346 1
1 497 . 6 1 1 A 48 48 SER HA H 45 4.365 4.522 -0.157 1
1 500 . 6 1 1 A 48 48 SER C C 45 174.302 173.190 1.112 1
1 501 . 6 1 1 A 48 48 SER CA C 45 58.704 58.176 0.528 1
1 502 . 6 1 1 A 48 48 SER CB C 45 63.564 61.200 2.364 1
1 503 . 6 1 1 A 49 49 ASP H H 46 8.198 8.535 -0.337 1
1 504 . 6 1 1 A 49 49 ASP HA H 46 4.553 4.731 -0.178 1
1 507 . 6 1 1 A 49 49 ASP C C 46 176.211 176.582 -0.371 1
1 508 . 6 1 1 A 49 49 ASP CA C 46 54.572 54.064 0.508 1
1 509 . 6 1 1 A 49 49 ASP CB C 46 40.971 41.442 -0.471 1
1 510 . 6 1 1 A 49 49 ASP N N 46 121.811 126.028 -4.217 1
1 511 . 6 1 1 A 50 50 MET H H 47 8.089 9.099 -1.010 1
1 512 . 6 1 1 A 50 50 MET HA H 47 4.374 4.549 -0.175 1
1 517 . 6 1 1 A 50 50 MET C C 47 176.100 175.909 0.191 1
1 518 . 6 1 1 A 50 50 MET CA C 47 55.595 56.670 -1.075 1
1 519 . 6 1 1 A 50 50 MET CB C 47 32.625 34.419 -1.794 1
1 521 . 6 1 1 A 50 50 MET N N 47 120.102 127.651 -7.549 1
1 522 . 6 1 1 A 51 51 LYS H H 48 8.198 7.659 0.539 1
1 523 . 6 1 1 A 51 51 LYS HA H 48 4.343 4.684 -0.341 1
1 532 . 6 1 1 A 51 51 LYS C C 48 176.273 175.226 1.047 1
1 533 . 6 1 1 A 51 51 LYS CA C 48 56.158 55.209 0.949 1
1 534 . 6 1 1 A 51 51 LYS CB C 48 33.042 35.064 -2.022 1
1 538 . 6 1 1 A 51 51 LYS N N 48 121.811 114.593 7.218 1
1 539 . 6 1 1 A 52 52 GLN H H 49 8.372 8.398 -0.026 1
1 540 . 6 1 1 A 52 52 GLN HA H 49 4.330 4.379 -0.049 1
1 545 . 6 1 1 A 52 52 GLN C C 49 175.303 175.681 -0.378 1
1 546 . 6 1 1 A 52 52 GLN CA C 49 55.180 55.211 -0.031 1
1 547 . 6 1 1 A 52 52 GLN CB C 49 30.017 29.474 0.543 1
1 549 . 6 1 1 A 52 52 GLN N N 49 120.928 119.564 1.364 1
1 550 . 6 1 1 A 53 53 GLN H H 50 8.366 8.316 0.050 1
1 551 . 6 1 1 A 53 53 GLN HA H 50 4.455 4.433 0.022 1
1 558 . 6 1 1 A 53 53 GLN C C 50 175.616 175.043 0.573 1
1 559 . 6 1 1 A 53 53 GLN CA C 50 55.825 55.635 0.190 1
1 560 . 6 1 1 A 53 53 GLN CB C 50 29.988 29.264 0.724 1
1 562 . 6 1 1 A 53 53 GLN N N 50 122.169 119.526 2.643 1
1 564 . 6 1 1 A 54 54 VAL H H 51 8.577 7.994 0.583 1
1 565 . 6 1 1 A 54 54 VAL HA H 51 3.999 4.813 -0.814 1
1 570 . 6 1 1 A 54 54 VAL C C 51 174.678 173.834 0.844 1
1 571 . 6 1 1 A 54 54 VAL CA C 51 62.792 59.223 3.569 1
1 572 . 6 1 1 A 54 54 VAL CB C 51 32.809 35.438 -2.629 1
1 574 . 6 1 1 A 54 54 VAL N N 51 124.540 120.176 4.364 1
1 575 . 6 1 1 A 55 55 LYS H H 52 8.025 8.952 -0.927 1
1 576 . 6 1 1 A 55 55 LYS HA H 52 5.098 5.453 -0.355 1
1 585 . 6 1 1 A 55 55 LYS C C 52 175.397 174.806 0.591 1
1 586 . 6 1 1 A 55 55 LYS CA C 52 55.259 54.413 0.846 1
1 587 . 6 1 1 A 55 55 LYS CB C 52 35.090 36.212 -1.122 1
1 591 . 6 1 1 A 55 55 LYS N N 52 123.649 125.286 -1.637 1
1 592 . 6 1 1 A 56 56 LEU H H 53 8.965 8.944 0.021 1
1 593 . 6 1 1 A 56 56 LEU HA H 53 4.527 5.065 -0.538 1
1 602 . 6 1 1 A 56 56 LEU C C 53 175.272 176.074 -0.802 1
1 603 . 6 1 1 A 56 56 LEU CA C 53 53.385 53.329 0.056 1
1 604 . 6 1 1 A 56 56 LEU CB C 53 45.496 45.100 0.396 1
1 607 . 6 1 1 A 56 56 LEU N N 53 125.718 124.278 1.440 1
1 608 . 6 1 1 A 57 57 THR H H 54 7.647 8.500 -0.853 1
1 609 . 6 1 1 A 57 57 THR HA H 54 5.197 5.221 -0.024 1
1 614 . 6 1 1 A 57 57 THR C C 54 173.426 173.278 0.148 1
1 615 . 6 1 1 A 57 57 THR CA C 54 60.016 61.099 -1.083 1
1 616 . 6 1 1 A 57 57 THR CB C 54 71.074 70.830 0.244 1
1 618 . 6 1 1 A 57 57 THR N N 54 110.955 116.817 -5.862 1
1 619 . 6 1 1 A 58 58 PHE H H 55 9.240 8.978 0.262 1
1 620 . 6 1 1 A 58 58 PHE HA H 55 4.703 4.893 -0.190 1
1 626 . 6 1 1 A 58 58 PHE C C 55 175.225 176.070 -0.845 1
1 627 . 6 1 1 A 58 58 PHE CA C 55 56.721 56.389 0.332 1
1 628 . 6 1 1 A 58 58 PHE CB C 55 44.606 43.307 1.299 1
1 631 . 6 1 1 A 58 58 PHE N N 55 119.380 123.827 -4.447 1
1 632 . 6 1 1 A 59 59 GLU H H 56 8.828 8.869 -0.041 1
1 633 . 6 1 1 A 59 59 GLU HA H 56 4.390 4.325 0.065 1
1 638 . 6 1 1 A 59 59 GLU C C 56 176.868 176.639 0.229 1
1 639 . 6 1 1 A 59 59 GLU CA C 56 58.849 58.731 0.118 1
1 640 . 6 1 1 A 59 59 GLU CB C 56 30.977 30.854 0.123 1
1 642 . 6 1 1 A 59 59 GLU N N 56 119.209 121.032 -1.823 1
1 643 . 6 1 1 A 60 60 THR H H 57 7.090 7.566 -0.476 1
1 644 . 6 1 1 A 60 60 THR HA H 57 4.538 4.502 0.036 1
1 649 . 6 1 1 A 60 60 THR C C 57 173.113 174.716 -1.603 1
1 650 . 6 1 1 A 60 60 THR CA C 57 58.619 59.447 -0.828 1
1 651 . 6 1 1 A 60 60 THR CB C 57 72.972 72.664 0.308 1
1 653 . 6 1 1 A 60 60 THR N N 57 102.317 110.147 -7.830 1
1 654 . 6 1 1 A 61 61 GLN H H 58 7.590 7.660 -0.070 1
1 655 . 6 1 1 A 61 61 GLN HA H 58 2.307 3.273 -0.966 1
1 662 . 6 1 1 A 61 61 GLN C C 58 177.713 177.276 0.437 1
1 663 . 6 1 1 A 61 61 GLN CA C 58 58.692 58.615 0.077 1
1 664 . 6 1 1 A 61 61 GLN CB C 58 27.689 27.605 0.084 1
1 666 . 6 1 1 A 61 61 GLN N N 58 122.133 120.638 1.495 1
1 668 . 6 1 1 A 62 62 GLU H H 59 8.587 8.074 0.513 1
1 669 . 6 1 1 A 62 62 GLU HA H 59 3.673 3.816 -0.143 1
1 674 . 6 1 1 A 62 62 GLU C C 59 179.337 179.251 0.086 1
1 675 . 6 1 1 A 62 62 GLU CA C 59 59.847 59.232 0.615 1
1 676 . 6 1 1 A 62 62 GLU CB C 59 28.578 29.109 -0.531 1
1 678 . 6 1 1 A 62 62 GLU N N 59 117.069 117.351 -0.282 1
1 679 . 6 1 1 A 63 63 GLN H H 60 7.671 7.321 0.350 1
1 680 . 6 1 1 A 63 63 GLN HA H 60 3.812 3.809 0.003 1
1 687 . 6 1 1 A 63 63 GLN C C 60 178.339 177.501 0.838 1
1 688 . 6 1 1 A 63 63 GLN CA C 60 58.411 58.480 -0.069 1
1 689 . 6 1 1 A 63 63 GLN CB C 60 29.308 28.602 0.706 1
1 691 . 6 1 1 A 63 63 GLN N N 60 118.959 118.610 0.349 1
1 693 . 6 1 1 A 64 64 ALA H H 61 6.836 7.582 -0.746 1
1 694 . 6 1 1 A 64 64 ALA HA H 61 1.982 3.468 -1.486 1
1 698 . 6 1 1 A 64 64 ALA C C 61 178.151 179.282 -1.131 1
1 699 . 6 1 1 A 64 64 ALA CA C 61 54.112 54.409 -0.297 1
1 700 . 6 1 1 A 64 64 ALA CB C 61 18.627 18.317 0.310 1
1 701 . 6 1 1 A 64 64 ALA N N 61 123.296 122.286 1.010 1
1 702 . 6 1 1 A 65 65 GLU H H 62 8.014 8.056 -0.042 1
1 703 . 6 1 1 A 65 65 GLU HA H 62 2.853 3.517 -0.664 1
1 708 . 6 1 1 A 65 65 GLU C C 62 177.901 178.572 -0.671 1
1 709 . 6 1 1 A 65 65 GLU CA C 62 60.601 58.969 1.632 1
1 710 . 6 1 1 A 65 65 GLU CB C 62 30.597 28.691 1.906 1
1 712 . 6 1 1 A 65 65 GLU N N 62 115.643 116.395 -0.752 1
1 713 . 6 1 1 A 66 66 ALA H H 63 7.954 7.622 0.332 1
1 714 . 6 1 1 A 66 66 ALA HA H 63 3.812 4.006 -0.194 1
1 718 . 6 1 1 A 66 66 ALA C C 63 180.245 179.372 0.873 1
1 719 . 6 1 1 A 66 66 ALA CA C 63 54.968 54.733 0.235 1
1 720 . 6 1 1 A 66 66 ALA CB C 63 17.876 17.984 -0.108 1
1 721 . 6 1 1 A 66 66 ALA N N 63 120.250 121.755 -1.505 1
1 722 . 6 1 1 A 67 67 TYR H H 64 7.373 7.447 -0.074 1
1 723 . 6 1 1 A 67 67 TYR HA H 64 3.789 4.044 -0.255 1
1 730 . 6 1 1 A 67 67 TYR C C 64 176.680 176.529 0.151 1
1 731 . 6 1 1 A 67 67 TYR CA C 64 61.624 61.713 -0.089 1
1 732 . 6 1 1 A 67 67 TYR CB C 64 38.947 38.459 0.488 1
1 735 . 6 1 1 A 67 67 TYR N N 64 119.523 120.090 -0.567 1
1 736 . 6 1 1 A 68 68 ALA H H 65 7.653 7.736 -0.083 1
1 737 . 6 1 1 A 68 68 ALA HA H 65 3.608 3.854 -0.246 1
1 741 . 6 1 1 A 68 68 ALA C C 65 179.650 179.733 -0.083 1
1 742 . 6 1 1 A 68 68 ALA CA C 65 55.407 55.181 0.226 1
1 743 . 6 1 1 A 68 68 ALA CB C 65 18.001 17.928 0.073 1
1 744 . 6 1 1 A 68 68 ALA N N 65 120.416 121.586 -1.170 1
1 745 . 6 1 1 A 69 69 GLN H H 66 8.491 8.184 0.307 1
1 746 . 6 1 1 A 69 69 GLN HA H 66 4.150 3.915 0.235 1
1 753 . 6 1 1 A 69 69 GLN C C 66 180.119 178.135 1.984 1
1 754 . 6 1 1 A 69 69 GLN CA C 66 58.639 59.040 -0.401 1
1 755 . 6 1 1 A 69 69 GLN CB C 66 28.035 28.262 -0.227 1
1 757 . 6 1 1 A 69 69 GLN N N 66 115.832 117.270 -1.438 1
1 759 . 6 1 1 A 70 70 ARG H H 67 7.962 7.776 0.186 1
1 760 . 6 1 1 A 70 70 ARG HA H 67 3.991 3.943 0.048 1
1 767 . 6 1 1 A 70 70 ARG C C 67 178.370 178.386 -0.016 1
1 768 . 6 1 1 A 70 70 ARG CA C 67 58.849 59.063 -0.214 1
1 769 . 6 1 1 A 70 70 ARG CB C 67 29.735 29.630 0.105 1
1 772 . 6 1 1 A 70 70 ARG N N 67 120.213 120.061 0.152 1
1 773 . 6 1 1 A 71 71 LYS H H 68 7.506 7.270 0.236 1
1 774 . 6 1 1 A 71 71 LYS HA H 68 4.132 4.132 0.000 1
1 783 . 6 1 1 A 71 71 LYS C C 68 176.712 176.821 -0.109 1
1 784 . 6 1 1 A 71 71 LYS CA C 68 54.781 56.007 -1.226 1
1 785 . 6 1 1 A 71 71 LYS CB C 68 32.447 32.773 -0.326 1
1 789 . 6 1 1 A 71 71 LYS N N 68 115.757 115.703 0.054 1
1 790 . 6 1 1 A 72 72 GLY H H 69 7.680 7.675 0.005 1
1 791 . 6 1 1 A 72 72 GLY HA2 H 69 3.887 3.945 -0.058 1
1 792 . 6 1 1 A 72 72 GLY HA3 H 69 3.818 3.953 -0.135 1
1 793 . 6 1 1 A 72 72 GLY C C 69 175.415 174.375 1.040 1
1 794 . 6 1 1 A 72 72 GLY CA C 69 46.621 44.989 1.632 1
1 795 . 6 1 1 A 72 72 GLY N N 69 109.542 105.767 3.775 1
1 796 . 6 1 1 A 73 73 ILE H H 70 8.180 7.393 0.787 1
1 797 . 6 1 1 A 73 73 ILE HA H 70 3.951 4.000 -0.049 1
1 805 . 6 1 1 A 73 73 ILE C C 70 175.835 175.782 0.053 1
1 806 . 6 1 1 A 73 73 ILE CA C 70 60.560 61.162 -0.602 1
1 807 . 6 1 1 A 73 73 ILE CB C 70 40.035 37.895 2.140 1
1 810 . 6 1 1 A 73 73 ILE N N 70 121.234 123.041 -1.807 1
1 811 . 6 1 1 A 74 74 GLU H H 71 8.428 8.505 -0.077 1
1 812 . 6 1 1 A 74 74 GLU HA H 71 4.289 4.282 0.007 1
1 817 . 6 1 1 A 74 74 GLU C C 71 175.460 176.342 -0.882 1
1 818 . 6 1 1 A 74 74 GLU CA C 71 56.533 56.858 -0.325 1
1 819 . 6 1 1 A 74 74 GLU CB C 71 29.683 29.926 -0.243 1
1 821 . 6 1 1 A 74 74 GLU N N 71 129.096 128.126 0.970 1
1 822 . 6 1 1 A 75 75 TYR H H 72 8.004 8.584 -0.580 1
1 823 . 6 1 1 A 75 75 TYR HA H 72 5.805 5.669 0.136 1
1 830 . 6 1 1 A 75 75 TYR C C 72 173.332 172.528 0.804 1
1 831 . 6 1 1 A 75 75 TYR CA C 72 55.323 55.901 -0.578 1
1 832 . 6 1 1 A 75 75 TYR CB C 72 42.290 41.617 0.673 1
1 835 . 6 1 1 A 75 75 TYR N N 72 120.850 117.936 2.914 1
1 836 . 6 1 1 A 76 76 ARG H H 73 7.936 8.732 -0.796 1
1 837 . 6 1 1 A 76 76 ARG HA H 73 4.656 5.143 -0.487 1
1 844 . 6 1 1 A 76 76 ARG C C 73 174.302 175.593 -1.291 1
1 845 . 6 1 1 A 76 76 ARG CA C 73 53.883 54.449 -0.566 1
1 846 . 6 1 1 A 76 76 ARG CB C 73 32.856 33.475 -0.619 1
1 849 . 6 1 1 A 76 76 ARG N N 73 117.640 120.811 -3.171 1
1 850 . 6 1 1 A 77 77 VAL H H 74 8.859 8.904 -0.045 1
1 851 . 6 1 1 A 77 77 VAL HA H 74 4.885 5.190 -0.305 1
1 859 . 6 1 1 A 77 77 VAL C C 74 176.023 175.085 0.938 1
1 860 . 6 1 1 A 77 77 VAL CA C 74 61.540 61.219 0.321 1
1 861 . 6 1 1 A 77 77 VAL CB C 74 32.377 33.388 -1.011 1
1 864 . 6 1 1 A 77 77 VAL N N 74 124.091 122.144 1.947 1
1 865 . 6 1 1 A 78 78 ILE H H 75 9.282 9.744 -0.462 1
1 866 . 6 1 1 A 78 78 ILE HA H 75 4.297 4.923 -0.626 1
1 876 . 6 1 1 A 78 78 ILE C C 75 175.178 175.327 -0.149 1
1 877 . 6 1 1 A 78 78 ILE CA C 75 59.850 59.848 0.002 1
1 878 . 6 1 1 A 78 78 ILE CB C 75 37.546 41.556 -4.010 1
1 882 . 6 1 1 A 78 78 ILE N N 75 130.317 125.726 4.591 1
1 883 . 6 1 1 A 79 79 LEU H H 76 8.428 8.821 -0.393 1
1 884 . 6 1 1 A 79 79 LEU HA H 76 4.747 4.763 -0.016 1
1 894 . 6 1 1 A 79 79 LEU CA C 76 52.672 53.407 -0.735 1
1 895 . 6 1 1 A 79 79 LEU CB C 76 41.865 41.655 0.210 1
1 899 . 6 1 1 A 79 79 LEU N N 76 128.194 128.158 0.036 1
1 900 . 6 1 1 A 80 80 PRO HA H 77 4.402 4.622 -0.220 1
1 907 . 6 1 1 A 80 80 PRO C C 77 177.087 176.700 0.387 1
1 908 . 6 1 1 A 80 80 PRO CA C 77 63.104 61.980 1.124 1
1 909 . 6 1 1 A 80 80 PRO CB C 77 32.145 33.033 -0.888 1
1 912 . 6 1 1 A 81 81 LYS H H 78 8.373 8.611 -0.238 1
1 913 . 6 1 1 A 81 81 LYS HA H 78 4.205 4.097 0.108 1
1 922 . 6 1 1 A 81 81 LYS C C 78 174.200 177.087 -2.887 1
1 923 . 6 1 1 A 81 81 LYS CA C 78 57.050 57.393 -0.343 1
1 924 . 6 1 1 A 81 81 LYS CB C 78 32.750 31.245 1.505 1
1 928 . 6 1 1 A 81 81 LYS N N 78 121.644 119.903 1.741 1
1 929 . 6 1 1 A 82 82 GLU H H 79 8.452 7.857 0.595 1
1 930 . 6 1 1 A 82 82 GLU HA H 79 4.216 4.532 -0.316 1
1 935 . 6 1 1 A 82 82 GLU C C 79 176.336 177.250 -0.914 1
1 936 . 6 1 1 A 82 82 GLU CA C 79 56.533 57.099 -0.566 1
1 937 . 6 1 1 A 82 82 GLU CB C 79 29.996 30.913 -0.917 1
1 939 . 6 1 1 A 82 82 GLU N N 79 121.461 117.674 3.787 1
1 10 . 7 1 1 A 5 5 SER H H 2 8.403 9.057 -0.654 1
1 11 . 7 1 1 A 5 5 SER HA H 2 5.099 5.595 -0.496 1
1 14 . 7 1 1 A 5 5 SER C C 2 173.833 173.770 0.063 1
1 15 . 7 1 1 A 5 5 SER CA C 2 57.556 57.761 -0.205 1
1 16 . 7 1 1 A 5 5 SER CB C 2 65.337 64.689 0.648 1
1 17 . 7 1 1 A 5 5 SER N N 2 116.747 122.709 -5.962 1
1 18 . 7 1 1 A 6 6 ALA H H 3 8.552 9.374 -0.822 1
1 19 . 7 1 1 A 6 6 ALA HA H 3 5.040 5.822 -0.782 1
1 23 . 7 1 1 A 6 6 ALA C C 3 176.117 176.829 -0.712 1
1 24 . 7 1 1 A 6 6 ALA CA C 3 51.500 50.487 1.013 1
1 25 . 7 1 1 A 6 6 ALA CB C 3 23.991 20.633 3.358 1
1 26 . 7 1 1 A 6 6 ALA N N 3 123.072 129.673 -6.601 1
1 27 . 7 1 1 A 7 7 LYS H H 4 8.706 9.632 -0.926 1
1 28 . 7 1 1 A 7 7 LYS HA H 4 5.428 5.798 -0.370 1
1 37 . 7 1 1 A 7 7 LYS C C 4 174.490 175.423 -0.933 1
1 38 . 7 1 1 A 7 7 LYS CA C 4 54.280 55.082 -0.802 1
1 39 . 7 1 1 A 7 7 LYS CB C 4 36.399 34.898 1.501 1
1 43 . 7 1 1 A 7 7 LYS N N 4 117.868 120.477 -2.609 1
1 44 . 7 1 1 A 8 8 ILE H H 5 8.752 9.036 -0.284 1
1 45 . 7 1 1 A 8 8 ILE HA H 5 5.741 5.399 0.342 1
1 55 . 7 1 1 A 8 8 ILE C C 5 174.552 175.209 -0.657 1
1 56 . 7 1 1 A 8 8 ILE CA C 5 59.953 60.824 -0.871 1
1 57 . 7 1 1 A 8 8 ILE CB C 5 41.115 39.251 1.864 1
1 61 . 7 1 1 A 8 8 ILE N N 5 122.521 126.305 -3.784 1
1 62 . 7 1 1 A 9 9 TYR H H 6 8.980 8.894 0.086 1
1 63 . 7 1 1 A 9 9 TYR HA H 6 5.214 5.683 -0.469 1
1 68 . 7 1 1 A 9 9 TYR C C 6 171.856 172.436 -0.580 1
1 69 . 7 1 1 A 9 9 TYR CA C 6 56.053 55.928 0.125 1
1 70 . 7 1 1 A 9 9 TYR CB C 6 40.371 41.516 -1.145 1
1 72 . 7 1 1 A 9 9 TYR N N 6 122.495 124.580 -2.085 1
1 73 . 7 1 1 A 10 10 ARG H H 7 8.830 8.496 0.334 1
1 74 . 7 1 1 A 10 10 ARG HA H 7 4.498 4.518 -0.020 1
1 81 . 7 1 1 A 10 10 ARG CA C 7 51.891 52.164 -0.273 1
1 82 . 7 1 1 A 10 10 ARG CB C 7 30.299 30.672 -0.373 1
1 85 . 7 1 1 A 10 10 ARG N N 7 122.632 120.467 2.165 1
1 86 . 7 1 1 A 11 11 PRO HA H 8 4.369 4.687 -0.318 1
1 93 . 7 1 1 A 11 11 PRO C C 8 176.086 177.434 -1.348 1
1 94 . 7 1 1 A 11 11 PRO CA C 8 62.730 62.704 0.026 1
1 95 . 7 1 1 A 11 11 PRO CB C 8 32.364 32.650 -0.286 1
1 98 . 7 1 1 A 12 12 ALA H H 9 8.384 8.529 -0.145 1
1 99 . 7 1 1 A 12 12 ALA HA H 9 4.193 4.054 0.139 1
1 103 . 7 1 1 A 12 12 ALA C C 9 177.948 177.634 0.314 1
1 104 . 7 1 1 A 12 12 ALA CA C 9 52.406 53.732 -1.326 1
1 105 . 7 1 1 A 12 12 ALA CB C 9 19.441 18.910 0.531 1
1 106 . 7 1 1 A 12 12 ALA N N 9 124.348 124.755 -0.407 1
1 107 . 7 1 1 A 13 13 LYS H H 10 8.242 7.737 0.505 1
1 108 . 7 1 1 A 13 13 LYS HA H 10 4.289 4.774 -0.485 1
1 117 . 7 1 1 A 13 13 LYS C C 10 176.555 175.032 1.523 1
1 118 . 7 1 1 A 13 13 LYS CA C 10 56.345 55.113 1.232 1
1 119 . 7 1 1 A 13 13 LYS CB C 10 33.052 33.488 -0.436 1
1 123 . 7 1 1 A 13 13 LYS N N 10 120.348 115.058 5.290 1
1 124 . 7 1 1 A 14 14 THR H H 11 7.950 8.777 -0.827 1
1 125 . 7 1 1 A 14 14 THR HA H 11 4.320 4.416 -0.096 1
1 130 . 7 1 1 A 14 14 THR C C 11 174.302 173.973 0.329 1
1 131 . 7 1 1 A 14 14 THR CA C 11 61.603 62.412 -0.809 1
1 132 . 7 1 1 A 14 14 THR CB C 11 69.699 69.553 0.146 1
1 134 . 7 1 1 A 14 14 THR N N 11 112.991 120.418 -7.427 1
1 135 . 7 1 1 A 15 15 ALA H H 12 8.189 8.507 -0.318 1
1 136 . 7 1 1 A 15 15 ALA HA H 12 4.250 4.286 -0.036 1
1 140 . 7 1 1 A 15 15 ALA C C 12 177.838 176.991 0.847 1
1 141 . 7 1 1 A 15 15 ALA CA C 12 52.840 52.898 -0.058 1
1 142 . 7 1 1 A 15 15 ALA CB C 12 19.231 19.297 -0.066 1
1 143 . 7 1 1 A 15 15 ALA N N 12 125.979 128.307 -2.328 1
1 144 . 7 1 1 A 16 16 MET H H 13 8.110 8.751 -0.641 1
1 145 . 7 1 1 A 16 16 MET HA H 13 4.374 4.372 0.002 1
1 150 . 7 1 1 A 16 16 MET C C 13 176.148 176.298 -0.150 1
1 151 . 7 1 1 A 16 16 MET CA C 13 55.595 54.348 1.247 1
1 152 . 7 1 1 A 16 16 MET CB C 13 32.625 31.103 1.522 1
1 154 . 7 1 1 A 16 16 MET N N 13 118.186 122.443 -4.257 1
1 155 . 7 1 1 A 17 17 GLN H H 14 8.198 8.662 -0.464 1
1 156 . 7 1 1 A 17 17 GLN HA H 14 4.273 4.150 0.123 1
1 161 . 7 1 1 A 17 17 GLN C C 14 175.992 175.634 0.358 1
1 162 . 7 1 1 A 17 17 GLN CA C 14 56.032 57.807 -1.775 1
1 163 . 7 1 1 A 17 17 GLN CB C 14 29.371 29.706 -0.335 1
1 165 . 7 1 1 A 17 17 GLN N N 14 121.811 126.788 -4.977 1
1 166 . 7 1 1 A 18 18 SER H H 15 8.275 7.804 0.471 1
1 167 . 7 1 1 A 18 18 SER HA H 15 4.379 4.751 -0.372 1
1 170 . 7 1 1 A 18 18 SER C C 15 175.053 173.156 1.897 1
1 171 . 7 1 1 A 18 18 SER CA C 15 58.536 57.438 1.098 1
1 172 . 7 1 1 A 18 18 SER CB C 15 63.856 65.346 -1.490 1
1 173 . 7 1 1 A 18 18 SER N N 15 116.768 109.351 7.417 1
1 174 . 7 1 1 A 19 19 GLY H H 16 8.430 8.918 -0.488 1
1 175 . 7 1 1 A 19 19 GLY HA2 H 16 4.031 3.862 0.169 1
1 176 . 7 1 1 A 19 19 GLY HA3 H 16 3.906 3.865 0.041 1
1 177 . 7 1 1 A 19 19 GLY C C 16 174.490 173.376 1.114 1
1 178 . 7 1 1 A 19 19 GLY CA C 16 45.580 47.318 -1.738 1
1 179 . 7 1 1 A 19 19 GLY N N 16 111.050 108.434 2.616 1
1 180 . 7 1 1 A 20 20 THR H H 17 7.950 8.220 -0.270 1
1 181 . 7 1 1 A 20 20 THR HA H 17 4.289 4.629 -0.340 1
1 185 . 7 1 1 A 20 20 THR C C 17 174.427 173.996 0.431 1
1 186 . 7 1 1 A 20 20 THR CA C 17 61.477 61.038 0.439 1
1 188 . 7 1 1 A 20 20 THR N N 17 112.991 117.355 -4.364 1
1 189 . 7 1 1 A 21 21 ALA H H 18 8.247 7.848 0.399 1
1 190 . 7 1 1 A 21 21 ALA N N 18 125.213 125.575 -0.362 1
1 191 . 7 1 1 A 22 22 LYS HA H 19 4.265 4.347 -0.082 1
1 200 . 7 1 1 A 22 22 LYS C C 19 176.774 176.437 0.337 1
1 201 . 7 1 1 A 22 22 LYS CA C 19 56.596 58.021 -1.425 1
1 202 . 7 1 1 A 22 22 LYS CB C 19 33.126 32.826 0.300 1
1 206 . 7 1 1 A 23 23 THR H H 20 8.004 7.549 0.455 1
1 207 . 7 1 1 A 23 23 THR HA H 20 4.333 4.424 -0.091 1
1 212 . 7 1 1 A 23 23 THR C C 20 174.083 174.365 -0.282 1
1 213 . 7 1 1 A 23 23 THR CA C 20 61.682 61.466 0.216 1
1 214 . 7 1 1 A 23 23 THR CB C 20 69.908 68.232 1.676 1
1 216 . 7 1 1 A 23 23 THR N N 20 113.978 110.658 3.320 1
1 217 . 7 1 1 A 24 24 ASN H H 21 8.289 8.420 -0.131 1
1 218 . 7 1 1 A 24 24 ASN HA H 21 4.689 4.632 0.057 1
1 223 . 7 1 1 A 24 24 ASN C C 21 174.177 175.166 -0.989 1
1 224 . 7 1 1 A 24 24 ASN CA C 21 52.966 53.818 -0.852 1
1 225 . 7 1 1 A 24 24 ASN CB C 21 38.404 38.905 -0.501 1
1 226 . 7 1 1 A 24 24 ASN N N 21 118.085 125.889 -7.804 1
1 228 . 7 1 1 A 25 25 VAL H H 22 7.381 8.191 -0.810 1
1 229 . 7 1 1 A 25 25 VAL HA H 22 4.336 4.174 0.162 1
1 237 . 7 1 1 A 25 25 VAL C C 22 174.271 176.198 -1.927 1
1 238 . 7 1 1 A 25 25 VAL CA C 22 61.540 62.476 -0.936 1
1 239 . 7 1 1 A 25 25 VAL CB C 22 33.771 32.878 0.893 1
1 242 . 7 1 1 A 25 25 VAL N N 22 115.156 122.723 -7.567 1
1 243 . 7 1 1 A 26 26 TRP H H 23 8.581 8.864 -0.283 1
1 244 . 7 1 1 A 26 26 TRP HA H 23 4.430 5.101 -0.671 1
1 253 . 7 1 1 A 26 26 TRP C C 23 174.803 175.733 -0.930 1
1 254 . 7 1 1 A 26 26 TRP CA C 23 56.721 56.661 0.060 1
1 255 . 7 1 1 A 26 26 TRP CB C 23 30.651 30.766 -0.115 1
1 261 . 7 1 1 A 26 26 TRP N N 23 120.570 128.736 -8.166 1
1 263 . 7 1 1 A 27 27 VAL H H 24 9.122 8.751 0.371 1
1 264 . 7 1 1 A 27 27 VAL HA H 24 4.774 4.703 0.071 1
1 272 . 7 1 1 A 27 27 VAL C C 24 173.739 174.150 -0.411 1
1 273 . 7 1 1 A 27 27 VAL CA C 24 60.101 61.483 -1.382 1
1 274 . 7 1 1 A 27 27 VAL CB C 24 34.726 33.175 1.551 1
1 277 . 7 1 1 A 27 27 VAL N N 24 121.265 123.606 -2.341 1
1 278 . 7 1 1 A 28 28 LEU H H 25 8.713 9.191 -0.478 1
1 279 . 7 1 1 A 28 28 LEU HA H 25 5.126 5.355 -0.229 1
1 288 . 7 1 1 A 28 28 LEU C C 25 174.177 175.278 -1.101 1
1 289 . 7 1 1 A 28 28 LEU CA C 25 53.863 53.598 0.265 1
1 290 . 7 1 1 A 28 28 LEU CB C 25 46.227 44.640 1.587 1
1 293 . 7 1 1 A 28 28 LEU N N 25 125.972 129.910 -3.938 1
1 294 . 7 1 1 A 29 29 GLU H H 26 9.283 9.127 0.156 1
1 295 . 7 1 1 A 29 29 GLU HA H 26 5.353 5.499 -0.146 1
1 300 . 7 1 1 A 29 29 GLU C C 26 175.867 176.035 -0.168 1
1 301 . 7 1 1 A 29 29 GLU CA C 26 53.883 55.156 -1.273 1
1 302 . 7 1 1 A 29 29 GLU CB C 26 34.594 32.495 2.099 1
1 304 . 7 1 1 A 29 29 GLU N N 26 127.083 126.596 0.487 1
1 305 . 7 1 1 A 30 30 PHE H H 27 8.761 8.546 0.215 1
1 306 . 7 1 1 A 30 30 PHE HA H 27 4.797 5.700 -0.903 1
1 313 . 7 1 1 A 30 30 PHE C C 27 174.959 173.552 1.407 1
1 314 . 7 1 1 A 30 30 PHE CA C 27 58.160 55.401 2.759 1
1 315 . 7 1 1 A 30 30 PHE CB C 27 40.218 42.178 -1.960 1
1 318 . 7 1 1 A 30 30 PHE N N 27 125.378 118.800 6.578 1
1 319 . 7 1 1 A 31 31 ASP H H 28 8.705 8.462 0.243 1
1 320 . 7 1 1 A 31 31 ASP HA H 28 4.735 4.736 -0.001 1
1 323 . 7 1 1 A 31 31 ASP C C 28 175.898 175.530 0.368 1
1 324 . 7 1 1 A 31 31 ASP CA C 28 54.468 54.700 -0.232 1
1 325 . 7 1 1 A 31 31 ASP CB C 28 41.529 39.822 1.707 1
1 326 . 7 1 1 A 31 31 ASP N N 28 121.546 120.692 0.854 1
1 327 . 7 1 1 A 32 32 ALA H H 29 8.527 8.225 0.302 1
1 328 . 7 1 1 A 32 32 ALA HA H 29 4.400 4.831 -0.431 1
1 332 . 7 1 1 A 32 32 ALA C C 29 177.150 178.921 -1.771 1
1 333 . 7 1 1 A 32 32 ALA CA C 29 52.027 51.453 0.574 1
1 334 . 7 1 1 A 32 32 ALA CB C 29 20.212 19.919 0.293 1
1 335 . 7 1 1 A 32 32 ALA N N 29 124.632 127.316 -2.684 1
1 336 . 7 1 1 A 33 33 GLU H H 30 8.481 8.876 -0.395 1
1 337 . 7 1 1 A 33 33 GLU HA H 30 4.281 4.369 -0.088 1
1 342 . 7 1 1 A 33 33 GLU C C 30 176.336 175.916 0.420 1
1 343 . 7 1 1 A 33 33 GLU CA C 30 56.309 56.950 -0.641 1
1 344 . 7 1 1 A 33 33 GLU CB C 30 30.309 28.874 1.435 1
1 346 . 7 1 1 A 33 33 GLU N N 30 120.547 120.373 0.174 1
1 347 . 7 1 1 A 34 34 VAL H H 31 8.140 7.426 0.714 1
1 348 . 7 1 1 A 34 34 VAL HA H 31 4.332 4.431 -0.099 1
1 353 . 7 1 1 A 34 34 VAL CA C 31 60.006 59.910 0.096 1
1 354 . 7 1 1 A 34 34 VAL CB C 31 32.620 32.824 -0.204 1
1 356 . 7 1 1 A 34 34 VAL N N 31 122.541 121.531 1.010 1
1 357 . 7 1 1 A 35 35 PRO HA H 32 4.343 4.723 -0.380 1
1 364 . 7 1 1 A 35 35 PRO C C 32 176.649 176.944 -0.295 1
1 365 . 7 1 1 A 35 35 PRO CA C 32 63.167 62.121 1.046 1
1 366 . 7 1 1 A 35 35 PRO CB C 32 31.999 33.062 -1.063 1
1 369 . 7 1 1 A 36 36 ARG H H 33 8.282 8.618 -0.336 1
1 370 . 7 1 1 A 36 36 ARG HA H 33 4.268 3.903 0.365 1
1 377 . 7 1 1 A 36 36 ARG C C 33 176.148 176.136 0.012 1
1 378 . 7 1 1 A 36 36 ARG CA C 33 55.845 58.499 -2.654 1
1 379 . 7 1 1 A 36 36 ARG CB C 33 31.061 29.466 1.595 1
1 382 . 7 1 1 A 36 36 ARG N N 33 121.352 118.925 2.427 1
1 383 . 7 1 1 A 37 37 LYS H H 34 8.256 7.609 0.647 1
1 384 . 7 1 1 A 37 37 LYS HA H 34 4.265 4.326 -0.061 1
1 391 . 7 1 1 A 37 37 LYS C C 34 176.054 175.251 0.803 1
1 392 . 7 1 1 A 37 37 LYS CA C 34 56.220 55.052 1.168 1
1 393 . 7 1 1 A 37 37 LYS CB C 34 33.103 30.811 2.292 1
1 396 . 7 1 1 A 37 37 LYS N N 34 122.458 120.356 2.102 1
1 397 . 7 1 1 A 38 38 ILE H H 35 8.066 7.557 0.509 1
1 398 . 7 1 1 A 38 38 ILE HA H 35 4.053 4.440 -0.387 1
1 408 . 7 1 1 A 38 38 ILE C C 35 175.397 175.346 0.051 1
1 409 . 7 1 1 A 38 38 ILE CA C 35 60.560 59.505 1.055 1
1 410 . 7 1 1 A 38 38 ILE CB C 35 38.883 38.973 -0.090 1
1 414 . 7 1 1 A 38 38 ILE N N 35 121.996 118.848 3.148 1
1 415 . 7 1 1 A 39 39 ASP H H 36 8.270 8.484 -0.214 1
1 416 . 7 1 1 A 39 39 ASP HA H 36 4.824 4.620 0.204 1
1 419 . 7 1 1 A 39 39 ASP CA C 36 52.138 52.537 -0.399 1
1 420 . 7 1 1 A 39 39 ASP CB C 36 42.009 40.926 1.083 1
1 421 . 7 1 1 A 39 39 ASP N N 36 126.273 121.820 4.453 1
1 422 . 7 1 1 A 40 40 PRO HA H 37 4.295 4.437 -0.142 1
1 429 . 7 1 1 A 40 40 PRO C C 37 177.275 177.817 -0.542 1
1 430 . 7 1 1 A 40 40 PRO CA C 37 63.731 64.112 -0.381 1
1 431 . 7 1 1 A 40 40 PRO CB C 37 32.135 31.952 0.183 1
1 434 . 7 1 1 A 41 41 ILE H H 38 8.115 7.712 0.403 1
1 435 . 7 1 1 A 41 41 ILE HA H 38 4.030 3.864 0.166 1
1 445 . 7 1 1 A 41 41 ILE C C 38 176.993 177.731 -0.738 1
1 446 . 7 1 1 A 41 41 ILE CA C 38 61.790 64.293 -2.503 1
1 447 . 7 1 1 A 41 41 ILE CB C 38 38.132 38.213 -0.081 1
1 451 . 7 1 1 A 41 41 ILE N N 38 119.202 117.684 1.518 1
1 452 . 7 1 1 A 42 42 MET H H 39 8.189 7.938 0.251 1
1 453 . 7 1 1 A 42 42 MET HA H 39 4.351 4.609 -0.258 1
1 458 . 7 1 1 A 42 42 MET C C 39 176.962 176.932 0.030 1
1 459 . 7 1 1 A 42 42 MET CA C 39 55.532 55.997 -0.465 1
1 460 . 7 1 1 A 42 42 MET CB C 39 32.249 34.224 -1.975 1
1 462 . 7 1 1 A 42 42 MET N N 39 120.640 116.077 4.563 1
1 463 . 7 1 1 A 43 43 GLY H H 40 8.105 8.002 0.103 1
1 464 . 7 1 1 A 43 43 GLY HA2 H 40 3.931 3.980 -0.049 1
1 465 . 7 1 1 A 43 43 GLY HA3 H 40 3.740 4.032 -0.292 1
1 466 . 7 1 1 A 43 43 GLY C C 40 173.707 174.509 -0.802 1
1 467 . 7 1 1 A 43 43 GLY CA C 40 45.455 44.919 0.536 1
1 468 . 7 1 1 A 43 43 GLY N N 40 108.720 108.313 0.407 1
1 469 . 7 1 1 A 44 44 TYR H H 41 7.984 7.983 0.001 1
1 470 . 7 1 1 A 44 44 TYR HA H 41 4.609 4.945 -0.336 1
1 477 . 7 1 1 A 44 44 TYR C C 41 175.929 176.027 -0.098 1
1 478 . 7 1 1 A 44 44 TYR CA C 41 57.847 56.928 0.919 1
1 479 . 7 1 1 A 44 44 TYR CB C 41 39.008 38.984 0.024 1
1 482 . 7 1 1 A 44 44 TYR N N 41 120.435 121.081 -0.646 1
1 483 . 7 1 1 A 45 45 THR H H 42 8.112 7.595 0.517 1
1 484 . 7 1 1 A 45 45 THR HA H 42 4.281 4.068 0.213 1
1 486 . 7 1 1 A 45 45 THR C C 42 177.024 175.545 1.479 1
1 487 . 7 1 1 A 45 45 THR CA C 42 61.540 61.818 -0.278 1
1 488 . 7 1 1 A 45 45 THR CB C 42 70.145 69.713 0.432 1
1 489 . 7 1 1 A 45 45 THR N N 42 116.187 114.106 2.081 1
1 490 . 7 1 1 A 46 46 SER H H 43 8.447 8.424 0.023 1
1 491 . 7 1 1 A 46 46 SER N N 43 121.723 117.254 4.469 1
1 492 . 7 1 1 A 47 47 SER HA H 44 4.224 4.671 -0.447 1
1 495 . 7 1 1 A 47 47 SER CA C 44 59.935 59.255 0.680 1
1 496 . 7 1 1 A 47 47 SER CB C 44 64.763 63.960 0.803 1
1 497 . 7 1 1 A 48 48 SER HA H 45 4.365 4.667 -0.302 1
1 500 . 7 1 1 A 48 48 SER C C 45 174.302 173.099 1.203 1
1 501 . 7 1 1 A 48 48 SER CA C 45 58.704 57.084 1.620 1
1 502 . 7 1 1 A 48 48 SER CB C 45 63.564 63.783 -0.219 1
1 503 . 7 1 1 A 49 49 ASP H H 46 8.198 7.493 0.705 1
1 504 . 7 1 1 A 49 49 ASP HA H 46 4.553 4.680 -0.127 1
1 507 . 7 1 1 A 49 49 ASP C C 46 176.211 176.181 0.030 1
1 508 . 7 1 1 A 49 49 ASP CA C 46 54.572 54.371 0.201 1
1 509 . 7 1 1 A 49 49 ASP CB C 46 40.971 41.235 -0.264 1
1 510 . 7 1 1 A 49 49 ASP N N 46 121.811 120.067 1.744 1
1 511 . 7 1 1 A 50 50 MET H H 47 8.089 8.602 -0.513 1
1 512 . 7 1 1 A 50 50 MET HA H 47 4.374 4.735 -0.361 1
1 517 . 7 1 1 A 50 50 MET C C 47 176.100 175.745 0.355 1
1 518 . 7 1 1 A 50 50 MET CA C 47 55.595 54.157 1.438 1
1 519 . 7 1 1 A 50 50 MET CB C 47 32.625 34.912 -2.287 1
1 521 . 7 1 1 A 50 50 MET N N 47 120.102 121.952 -1.850 1
1 522 . 7 1 1 A 51 51 LYS H H 48 8.198 8.279 -0.081 1
1 523 . 7 1 1 A 51 51 LYS HA H 48 4.343 4.504 -0.161 1
1 532 . 7 1 1 A 51 51 LYS C C 48 176.273 176.084 0.189 1
1 533 . 7 1 1 A 51 51 LYS CA C 48 56.158 56.367 -0.209 1
1 534 . 7 1 1 A 51 51 LYS CB C 48 33.042 31.621 1.421 1
1 538 . 7 1 1 A 51 51 LYS N N 48 121.811 121.232 0.579 1
1 539 . 7 1 1 A 52 52 GLN H H 49 8.372 8.102 0.270 1
1 540 . 7 1 1 A 52 52 GLN HA H 49 4.330 4.262 0.068 1
1 545 . 7 1 1 A 52 52 GLN C C 49 175.303 175.284 0.019 1
1 546 . 7 1 1 A 52 52 GLN CA C 49 55.180 55.686 -0.506 1
1 547 . 7 1 1 A 52 52 GLN CB C 49 30.017 29.380 0.637 1
1 549 . 7 1 1 A 52 52 GLN N N 49 120.928 122.496 -1.568 1
1 550 . 7 1 1 A 53 53 GLN H H 50 8.366 8.345 0.021 1
1 551 . 7 1 1 A 53 53 GLN HA H 50 4.455 4.633 -0.178 1
1 558 . 7 1 1 A 53 53 GLN C C 50 175.616 175.474 0.142 1
1 559 . 7 1 1 A 53 53 GLN CA C 50 55.825 55.647 0.178 1
1 560 . 7 1 1 A 53 53 GLN CB C 50 29.988 28.987 1.001 1
1 562 . 7 1 1 A 53 53 GLN N N 50 122.169 120.345 1.824 1
1 564 . 7 1 1 A 54 54 VAL H H 51 8.577 7.874 0.703 1
1 565 . 7 1 1 A 54 54 VAL HA H 51 3.999 4.602 -0.603 1
1 570 . 7 1 1 A 54 54 VAL C C 51 174.678 175.156 -0.478 1
1 571 . 7 1 1 A 54 54 VAL CA C 51 62.792 60.299 2.493 1
1 572 . 7 1 1 A 54 54 VAL CB C 51 32.809 33.065 -0.256 1
1 574 . 7 1 1 A 54 54 VAL N N 51 124.540 120.919 3.621 1
1 575 . 7 1 1 A 55 55 LYS H H 52 8.025 8.978 -0.953 1
1 576 . 7 1 1 A 55 55 LYS HA H 52 5.098 5.646 -0.548 1
1 585 . 7 1 1 A 55 55 LYS C C 52 175.397 174.801 0.596 1
1 586 . 7 1 1 A 55 55 LYS CA C 52 55.259 54.324 0.935 1
1 587 . 7 1 1 A 55 55 LYS CB C 52 35.090 36.108 -1.018 1
1 591 . 7 1 1 A 55 55 LYS N N 52 123.649 119.593 4.056 1
1 592 . 7 1 1 A 56 56 LEU H H 53 8.965 9.019 -0.054 1
1 593 . 7 1 1 A 56 56 LEU HA H 53 4.527 5.015 -0.488 1
1 602 . 7 1 1 A 56 56 LEU C C 53 175.272 176.236 -0.964 1
1 603 . 7 1 1 A 56 56 LEU CA C 53 53.385 53.306 0.079 1
1 604 . 7 1 1 A 56 56 LEU CB C 53 45.496 45.352 0.144 1
1 607 . 7 1 1 A 56 56 LEU N N 53 125.718 124.630 1.088 1
1 608 . 7 1 1 A 57 57 THR H H 54 7.647 8.867 -1.220 1
1 609 . 7 1 1 A 57 57 THR HA H 54 5.197 5.600 -0.403 1
1 614 . 7 1 1 A 57 57 THR C C 54 173.426 173.293 0.133 1
1 615 . 7 1 1 A 57 57 THR CA C 54 60.016 59.627 0.389 1
1 616 . 7 1 1 A 57 57 THR CB C 54 71.074 71.172 -0.098 1
1 618 . 7 1 1 A 57 57 THR N N 54 110.955 112.613 -1.658 1
1 619 . 7 1 1 A 58 58 PHE H H 55 9.240 8.834 0.406 1
1 620 . 7 1 1 A 58 58 PHE HA H 55 4.703 4.912 -0.209 1
1 626 . 7 1 1 A 58 58 PHE C C 55 175.225 176.048 -0.823 1
1 627 . 7 1 1 A 58 58 PHE CA C 55 56.721 56.364 0.357 1
1 628 . 7 1 1 A 58 58 PHE CB C 55 44.606 43.117 1.489 1
1 631 . 7 1 1 A 58 58 PHE N N 55 119.380 119.662 -0.282 1
1 632 . 7 1 1 A 59 59 GLU H H 56 8.828 8.948 -0.120 1
1 633 . 7 1 1 A 59 59 GLU HA H 56 4.390 4.335 0.055 1
1 638 . 7 1 1 A 59 59 GLU C C 56 176.868 176.688 0.180 1
1 639 . 7 1 1 A 59 59 GLU CA C 56 58.849 58.709 0.140 1
1 640 . 7 1 1 A 59 59 GLU CB C 56 30.977 30.786 0.191 1
1 642 . 7 1 1 A 59 59 GLU N N 56 119.209 121.722 -2.513 1
1 643 . 7 1 1 A 60 60 THR H H 57 7.090 7.586 -0.496 1
1 644 . 7 1 1 A 60 60 THR HA H 57 4.538 4.608 -0.070 1
1 649 . 7 1 1 A 60 60 THR C C 57 173.113 175.035 -1.922 1
1 650 . 7 1 1 A 60 60 THR CA C 57 58.619 59.611 -0.992 1
1 651 . 7 1 1 A 60 60 THR CB C 57 72.972 72.686 0.286 1
1 653 . 7 1 1 A 60 60 THR N N 57 102.317 110.111 -7.794 1
1 654 . 7 1 1 A 61 61 GLN H H 58 7.590 7.860 -0.270 1
1 655 . 7 1 1 A 61 61 GLN HA H 58 2.307 3.301 -0.994 1
1 662 . 7 1 1 A 61 61 GLN C C 58 177.713 177.239 0.474 1
1 663 . 7 1 1 A 61 61 GLN CA C 58 58.692 58.772 -0.080 1
1 664 . 7 1 1 A 61 61 GLN CB C 58 27.689 27.412 0.277 1
1 666 . 7 1 1 A 61 61 GLN N N 58 122.133 120.979 1.154 1
1 668 . 7 1 1 A 62 62 GLU H H 59 8.587 8.100 0.487 1
1 669 . 7 1 1 A 62 62 GLU HA H 59 3.673 3.822 -0.149 1
1 674 . 7 1 1 A 62 62 GLU C C 59 179.337 179.269 0.068 1
1 675 . 7 1 1 A 62 62 GLU CA C 59 59.847 59.168 0.679 1
1 676 . 7 1 1 A 62 62 GLU CB C 59 28.578 29.160 -0.582 1
1 678 . 7 1 1 A 62 62 GLU N N 59 117.069 118.630 -1.561 1
1 679 . 7 1 1 A 63 63 GLN H H 60 7.671 7.265 0.406 1
1 680 . 7 1 1 A 63 63 GLN HA H 60 3.812 3.878 -0.066 1
1 687 . 7 1 1 A 63 63 GLN C C 60 178.339 177.155 1.184 1
1 688 . 7 1 1 A 63 63 GLN CA C 60 58.411 58.404 0.007 1
1 689 . 7 1 1 A 63 63 GLN CB C 60 29.308 28.280 1.028 1
1 691 . 7 1 1 A 63 63 GLN N N 60 118.959 118.469 0.490 1
1 693 . 7 1 1 A 64 64 ALA H H 61 6.836 7.390 -0.554 1
1 694 . 7 1 1 A 64 64 ALA HA H 61 1.982 3.314 -1.332 1
1 698 . 7 1 1 A 64 64 ALA C C 61 178.151 179.211 -1.060 1
1 699 . 7 1 1 A 64 64 ALA CA C 61 54.112 54.312 -0.200 1
1 700 . 7 1 1 A 64 64 ALA CB C 61 18.627 18.269 0.358 1
1 701 . 7 1 1 A 64 64 ALA N N 61 123.296 122.219 1.077 1
1 702 . 7 1 1 A 65 65 GLU H H 62 8.014 8.085 -0.071 1
1 703 . 7 1 1 A 65 65 GLU HA H 62 2.853 3.565 -0.712 1
1 708 . 7 1 1 A 65 65 GLU C C 62 177.901 178.460 -0.559 1
1 709 . 7 1 1 A 65 65 GLU CA C 62 60.601 58.989 1.612 1
1 710 . 7 1 1 A 65 65 GLU CB C 62 30.597 28.768 1.829 1
1 712 . 7 1 1 A 65 65 GLU N N 62 115.643 116.409 -0.766 1
1 713 . 7 1 1 A 66 66 ALA H H 63 7.954 7.761 0.193 1
1 714 . 7 1 1 A 66 66 ALA HA H 63 3.812 3.996 -0.184 1
1 718 . 7 1 1 A 66 66 ALA C C 63 180.245 179.270 0.975 1
1 719 . 7 1 1 A 66 66 ALA CA C 63 54.968 54.721 0.247 1
1 720 . 7 1 1 A 66 66 ALA CB C 63 17.876 18.112 -0.236 1
1 721 . 7 1 1 A 66 66 ALA N N 63 120.250 121.791 -1.541 1
1 722 . 7 1 1 A 67 67 TYR H H 64 7.373 7.305 0.068 1
1 723 . 7 1 1 A 67 67 TYR HA H 64 3.789 4.055 -0.266 1
1 730 . 7 1 1 A 67 67 TYR C C 64 176.680 176.777 -0.097 1
1 731 . 7 1 1 A 67 67 TYR CA C 64 61.624 61.676 -0.052 1
1 732 . 7 1 1 A 67 67 TYR CB C 64 38.947 38.404 0.543 1
1 735 . 7 1 1 A 67 67 TYR N N 64 119.523 119.848 -0.325 1
1 736 . 7 1 1 A 68 68 ALA H H 65 7.653 7.759 -0.106 1
1 737 . 7 1 1 A 68 68 ALA HA H 65 3.608 3.799 -0.191 1
1 741 . 7 1 1 A 68 68 ALA C C 65 179.650 179.648 0.002 1
1 742 . 7 1 1 A 68 68 ALA CA C 65 55.407 55.187 0.220 1
1 743 . 7 1 1 A 68 68 ALA CB C 65 18.001 17.977 0.024 1
1 744 . 7 1 1 A 68 68 ALA N N 65 120.416 121.318 -0.902 1
1 745 . 7 1 1 A 69 69 GLN H H 66 8.491 7.924 0.567 1
1 746 . 7 1 1 A 69 69 GLN HA H 66 4.150 3.979 0.171 1
1 753 . 7 1 1 A 69 69 GLN C C 66 180.119 178.451 1.668 1
1 754 . 7 1 1 A 69 69 GLN CA C 66 58.639 58.873 -0.234 1
1 755 . 7 1 1 A 69 69 GLN CB C 66 28.035 28.535 -0.500 1
1 757 . 7 1 1 A 69 69 GLN N N 66 115.832 117.372 -1.540 1
1 759 . 7 1 1 A 70 70 ARG H H 67 7.962 7.869 0.093 1
1 760 . 7 1 1 A 70 70 ARG HA H 67 3.991 4.034 -0.043 1
1 767 . 7 1 1 A 70 70 ARG C C 67 178.370 177.882 0.488 1
1 768 . 7 1 1 A 70 70 ARG CA C 67 58.849 58.764 0.085 1
1 769 . 7 1 1 A 70 70 ARG CB C 67 29.735 29.538 0.197 1
1 772 . 7 1 1 A 70 70 ARG N N 67 120.213 120.124 0.089 1
1 773 . 7 1 1 A 71 71 LYS H H 68 7.506 7.246 0.260 1
1 774 . 7 1 1 A 71 71 LYS HA H 68 4.132 4.159 -0.027 1
1 783 . 7 1 1 A 71 71 LYS C C 68 176.712 177.027 -0.315 1
1 784 . 7 1 1 A 71 71 LYS CA C 68 54.781 55.769 -0.988 1
1 785 . 7 1 1 A 71 71 LYS CB C 68 32.447 32.927 -0.480 1
1 789 . 7 1 1 A 71 71 LYS N N 68 115.757 115.792 -0.035 1
1 790 . 7 1 1 A 72 72 GLY H H 69 7.680 7.678 0.002 1
1 791 . 7 1 1 A 72 72 GLY HA2 H 69 3.887 3.931 -0.044 1
1 792 . 7 1 1 A 72 72 GLY HA3 H 69 3.818 3.939 -0.121 1
1 793 . 7 1 1 A 72 72 GLY C C 69 175.415 174.287 1.128 1
1 794 . 7 1 1 A 72 72 GLY CA C 69 46.621 45.296 1.325 1
1 795 . 7 1 1 A 72 72 GLY N N 69 109.542 106.404 3.138 1
1 796 . 7 1 1 A 73 73 ILE H H 70 8.180 7.342 0.838 1
1 797 . 7 1 1 A 73 73 ILE HA H 70 3.951 3.994 -0.043 1
1 805 . 7 1 1 A 73 73 ILE C C 70 175.835 175.875 -0.040 1
1 806 . 7 1 1 A 73 73 ILE CA C 70 60.560 61.307 -0.747 1
1 807 . 7 1 1 A 73 73 ILE CB C 70 40.035 37.989 2.046 1
1 810 . 7 1 1 A 73 73 ILE N N 70 121.234 123.238 -2.004 1
1 811 . 7 1 1 A 74 74 GLU H H 71 8.428 8.487 -0.059 1
1 812 . 7 1 1 A 74 74 GLU HA H 71 4.289 4.286 0.003 1
1 817 . 7 1 1 A 74 74 GLU C C 71 175.460 176.362 -0.902 1
1 818 . 7 1 1 A 74 74 GLU CA C 71 56.533 56.874 -0.341 1
1 819 . 7 1 1 A 74 74 GLU CB C 71 29.683 29.922 -0.239 1
1 821 . 7 1 1 A 74 74 GLU N N 71 129.096 127.775 1.321 1
1 822 . 7 1 1 A 75 75 TYR H H 72 8.004 8.645 -0.641 1
1 823 . 7 1 1 A 75 75 TYR HA H 72 5.805 5.814 -0.009 1
1 830 . 7 1 1 A 75 75 TYR C C 72 173.332 172.431 0.901 1
1 831 . 7 1 1 A 75 75 TYR CA C 72 55.323 55.587 -0.264 1
1 832 . 7 1 1 A 75 75 TYR CB C 72 42.290 42.226 0.064 1
1 835 . 7 1 1 A 75 75 TYR N N 72 120.850 118.035 2.815 1
1 836 . 7 1 1 A 76 76 ARG H H 73 7.936 9.063 -1.127 1
1 837 . 7 1 1 A 76 76 ARG HA H 73 4.656 5.089 -0.433 1
1 844 . 7 1 1 A 76 76 ARG C C 73 174.302 175.172 -0.870 1
1 845 . 7 1 1 A 76 76 ARG CA C 73 53.883 54.213 -0.330 1
1 846 . 7 1 1 A 76 76 ARG CB C 73 32.856 33.848 -0.992 1
1 849 . 7 1 1 A 76 76 ARG N N 73 117.640 121.416 -3.776 1
1 850 . 7 1 1 A 77 77 VAL H H 74 8.859 9.052 -0.193 1
1 851 . 7 1 1 A 77 77 VAL HA H 74 4.885 5.196 -0.311 1
1 859 . 7 1 1 A 77 77 VAL C C 74 176.023 174.854 1.169 1
1 860 . 7 1 1 A 77 77 VAL CA C 74 61.540 60.787 0.753 1
1 861 . 7 1 1 A 77 77 VAL CB C 74 32.377 33.881 -1.504 1
1 864 . 7 1 1 A 77 77 VAL N N 74 124.091 121.428 2.663 1
1 865 . 7 1 1 A 78 78 ILE H H 75 9.282 9.371 -0.089 1
1 866 . 7 1 1 A 78 78 ILE HA H 75 4.297 4.840 -0.543 1
1 876 . 7 1 1 A 78 78 ILE C C 75 175.178 175.824 -0.646 1
1 877 . 7 1 1 A 78 78 ILE CA C 75 59.850 59.973 -0.123 1
1 878 . 7 1 1 A 78 78 ILE CB C 75 37.546 38.548 -1.002 1
1 882 . 7 1 1 A 78 78 ILE N N 75 130.317 127.137 3.180 1
1 883 . 7 1 1 A 79 79 LEU H H 76 8.428 8.889 -0.461 1
1 884 . 7 1 1 A 79 79 LEU HA H 76 4.747 4.772 -0.025 1
1 894 . 7 1 1 A 79 79 LEU CA C 76 52.672 53.835 -1.163 1
1 895 . 7 1 1 A 79 79 LEU CB C 76 41.865 41.269 0.596 1
1 899 . 7 1 1 A 79 79 LEU N N 76 128.194 129.677 -1.483 1
1 900 . 7 1 1 A 80 80 PRO HA H 77 4.402 4.666 -0.264 1
1 907 . 7 1 1 A 80 80 PRO C C 77 177.087 177.250 -0.163 1
1 908 . 7 1 1 A 80 80 PRO CA C 77 63.104 62.024 1.080 1
1 909 . 7 1 1 A 80 80 PRO CB C 77 32.145 33.041 -0.896 1
1 912 . 7 1 1 A 81 81 LYS H H 78 8.373 8.613 -0.240 1
1 913 . 7 1 1 A 81 81 LYS HA H 78 4.205 4.015 0.190 1
1 922 . 7 1 1 A 81 81 LYS C C 78 174.200 177.014 -2.814 1
1 923 . 7 1 1 A 81 81 LYS CA C 78 57.050 58.789 -1.739 1
1 924 . 7 1 1 A 81 81 LYS CB C 78 32.750 31.776 0.974 1
1 928 . 7 1 1 A 81 81 LYS N N 78 121.644 120.762 0.882 1
1 929 . 7 1 1 A 82 82 GLU H H 79 8.452 8.222 0.230 1
1 930 . 7 1 1 A 82 82 GLU HA H 79 4.216 4.381 -0.165 1
1 935 . 7 1 1 A 82 82 GLU C C 79 176.336 176.636 -0.300 1
1 936 . 7 1 1 A 82 82 GLU CA C 79 56.533 55.967 0.566 1
1 937 . 7 1 1 A 82 82 GLU CB C 79 29.996 28.980 1.016 1
1 939 . 7 1 1 A 82 82 GLU N N 79 121.461 117.546 3.915 1
1 10 . 8 1 1 A 5 5 SER H H 2 8.403 8.741 -0.338 1
1 11 . 8 1 1 A 5 5 SER HA H 2 5.099 5.730 -0.631 1
1 14 . 8 1 1 A 5 5 SER C C 2 173.833 172.804 1.029 1
1 15 . 8 1 1 A 5 5 SER CA C 2 57.556 57.093 0.463 1
1 16 . 8 1 1 A 5 5 SER CB C 2 65.337 64.847 0.490 1
1 17 . 8 1 1 A 5 5 SER N N 2 116.747 113.446 3.301 1
1 18 . 8 1 1 A 6 6 ALA H H 3 8.552 9.234 -0.682 1
1 19 . 8 1 1 A 6 6 ALA HA H 3 5.040 5.871 -0.831 1
1 23 . 8 1 1 A 6 6 ALA C C 3 176.117 176.972 -0.855 1
1 24 . 8 1 1 A 6 6 ALA CA C 3 51.500 50.410 1.090 1
1 25 . 8 1 1 A 6 6 ALA CB C 3 23.991 21.257 2.734 1
1 26 . 8 1 1 A 6 6 ALA N N 3 123.072 129.864 -6.792 1
1 27 . 8 1 1 A 7 7 LYS H H 4 8.706 9.320 -0.614 1
1 28 . 8 1 1 A 7 7 LYS HA H 4 5.428 5.357 0.071 1
1 37 . 8 1 1 A 7 7 LYS C C 4 174.490 175.544 -1.054 1
1 38 . 8 1 1 A 7 7 LYS CA C 4 54.280 55.434 -1.154 1
1 39 . 8 1 1 A 7 7 LYS CB C 4 36.399 34.418 1.981 1
1 43 . 8 1 1 A 7 7 LYS N N 4 117.868 120.572 -2.704 1
1 44 . 8 1 1 A 8 8 ILE H H 5 8.752 9.057 -0.305 1
1 45 . 8 1 1 A 8 8 ILE HA H 5 5.741 5.334 0.407 1
1 55 . 8 1 1 A 8 8 ILE C C 5 174.552 174.951 -0.399 1
1 56 . 8 1 1 A 8 8 ILE CA C 5 59.953 60.689 -0.736 1
1 57 . 8 1 1 A 8 8 ILE CB C 5 41.115 39.099 2.016 1
1 61 . 8 1 1 A 8 8 ILE N N 5 122.521 126.426 -3.905 1
1 62 . 8 1 1 A 9 9 TYR H H 6 8.980 8.674 0.306 1
1 63 . 8 1 1 A 9 9 TYR HA H 6 5.214 5.544 -0.330 1
1 68 . 8 1 1 A 9 9 TYR C C 6 171.856 172.470 -0.614 1
1 69 . 8 1 1 A 9 9 TYR CA C 6 56.053 55.957 0.096 1
1 70 . 8 1 1 A 9 9 TYR CB C 6 40.371 41.185 -0.814 1
1 72 . 8 1 1 A 9 9 TYR N N 6 122.495 124.559 -2.064 1
1 73 . 8 1 1 A 10 10 ARG H H 7 8.830 8.609 0.221 1
1 74 . 8 1 1 A 10 10 ARG HA H 7 4.498 4.660 -0.162 1
1 81 . 8 1 1 A 10 10 ARG CA C 7 51.891 52.636 -0.745 1
1 82 . 8 1 1 A 10 10 ARG CB C 7 30.299 31.581 -1.282 1
1 85 . 8 1 1 A 10 10 ARG N N 7 122.632 120.615 2.017 1
1 86 . 8 1 1 A 11 11 PRO HA H 8 4.369 4.640 -0.271 1
1 93 . 8 1 1 A 11 11 PRO C C 8 176.086 177.760 -1.674 1
1 94 . 8 1 1 A 11 11 PRO CA C 8 62.730 62.877 -0.147 1
1 95 . 8 1 1 A 11 11 PRO CB C 8 32.364 31.684 0.680 1
1 98 . 8 1 1 A 12 12 ALA H H 9 8.384 8.604 -0.220 1
1 99 . 8 1 1 A 12 12 ALA HA H 9 4.193 4.010 0.183 1
1 103 . 8 1 1 A 12 12 ALA C C 9 177.948 179.548 -1.600 1
1 104 . 8 1 1 A 12 12 ALA CA C 9 52.406 53.990 -1.584 1
1 105 . 8 1 1 A 12 12 ALA CB C 9 19.441 18.498 0.943 1
1 106 . 8 1 1 A 12 12 ALA N N 9 124.348 127.932 -3.584 1
1 107 . 8 1 1 A 13 13 LYS H H 10 8.242 8.265 -0.023 1
1 108 . 8 1 1 A 13 13 LYS HA H 10 4.289 4.187 0.102 1
1 117 . 8 1 1 A 13 13 LYS C C 10 176.555 176.793 -0.238 1
1 118 . 8 1 1 A 13 13 LYS CA C 10 56.345 58.668 -2.323 1
1 119 . 8 1 1 A 13 13 LYS CB C 10 33.052 32.219 0.833 1
1 123 . 8 1 1 A 13 13 LYS N N 10 120.348 114.598 5.750 1
1 124 . 8 1 1 A 14 14 THR H H 11 7.950 7.559 0.391 1
1 125 . 8 1 1 A 14 14 THR HA H 11 4.320 4.382 -0.062 1
1 130 . 8 1 1 A 14 14 THR C C 11 174.302 174.551 -0.249 1
1 131 . 8 1 1 A 14 14 THR CA C 11 61.603 61.508 0.095 1
1 132 . 8 1 1 A 14 14 THR CB C 11 69.699 70.002 -0.303 1
1 134 . 8 1 1 A 14 14 THR N N 11 112.991 112.212 0.779 1
1 135 . 8 1 1 A 15 15 ALA H H 12 8.189 8.647 -0.458 1
1 136 . 8 1 1 A 15 15 ALA HA H 12 4.250 4.626 -0.376 1
1 140 . 8 1 1 A 15 15 ALA C C 12 177.838 179.121 -1.283 1
1 141 . 8 1 1 A 15 15 ALA CA C 12 52.840 50.240 2.600 1
1 142 . 8 1 1 A 15 15 ALA CB C 12 19.231 20.141 -0.910 1
1 143 . 8 1 1 A 15 15 ALA N N 12 125.979 126.724 -0.745 1
1 144 . 8 1 1 A 16 16 MET H H 13 8.110 8.533 -0.423 1
1 145 . 8 1 1 A 16 16 MET HA H 13 4.374 4.216 0.158 1
1 150 . 8 1 1 A 16 16 MET C C 13 176.148 176.729 -0.581 1
1 151 . 8 1 1 A 16 16 MET CA C 13 55.595 57.857 -2.262 1
1 152 . 8 1 1 A 16 16 MET CB C 13 32.625 31.991 0.634 1
1 154 . 8 1 1 A 16 16 MET N N 13 118.186 116.230 1.956 1
1 155 . 8 1 1 A 17 17 GLN H H 14 8.198 7.777 0.421 1
1 156 . 8 1 1 A 17 17 GLN HA H 14 4.273 4.552 -0.279 1
1 161 . 8 1 1 A 17 17 GLN C C 14 175.992 175.701 0.291 1
1 162 . 8 1 1 A 17 17 GLN CA C 14 56.032 54.645 1.387 1
1 163 . 8 1 1 A 17 17 GLN CB C 14 29.371 27.546 1.825 1
1 165 . 8 1 1 A 17 17 GLN N N 14 121.811 119.602 2.209 1
1 166 . 8 1 1 A 18 18 SER H H 15 8.275 8.431 -0.156 1
1 167 . 8 1 1 A 18 18 SER HA H 15 4.379 4.699 -0.320 1
1 170 . 8 1 1 A 18 18 SER C C 15 175.053 174.827 0.226 1
1 171 . 8 1 1 A 18 18 SER CA C 15 58.536 58.116 0.420 1
1 172 . 8 1 1 A 18 18 SER CB C 15 63.856 63.919 -0.063 1
1 173 . 8 1 1 A 18 18 SER N N 15 116.768 121.793 -5.025 1
1 174 . 8 1 1 A 19 19 GLY H H 16 8.430 8.721 -0.291 1
1 175 . 8 1 1 A 19 19 GLY HA2 H 16 4.031 3.943 0.088 1
1 176 . 8 1 1 A 19 19 GLY HA3 H 16 3.906 3.948 -0.042 1
1 177 . 8 1 1 A 19 19 GLY C C 16 174.490 173.401 1.089 1
1 178 . 8 1 1 A 19 19 GLY CA C 16 45.580 46.411 -0.831 1
1 179 . 8 1 1 A 19 19 GLY N N 16 111.050 110.295 0.755 1
1 180 . 8 1 1 A 20 20 THR H H 17 7.950 7.640 0.310 1
1 181 . 8 1 1 A 20 20 THR HA H 17 4.289 4.492 -0.203 1
1 185 . 8 1 1 A 20 20 THR C C 17 174.427 173.143 1.284 1
1 186 . 8 1 1 A 20 20 THR CA C 17 61.477 60.033 1.444 1
1 188 . 8 1 1 A 20 20 THR N N 17 112.991 112.696 0.295 1
1 189 . 8 1 1 A 21 21 ALA H H 18 8.247 8.384 -0.137 1
1 190 . 8 1 1 A 21 21 ALA N N 18 125.213 125.004 0.209 1
1 191 . 8 1 1 A 22 22 LYS HA H 19 4.265 4.383 -0.118 1
1 200 . 8 1 1 A 22 22 LYS C C 19 176.774 175.326 1.448 1
1 201 . 8 1 1 A 22 22 LYS CA C 19 56.596 56.020 0.576 1
1 202 . 8 1 1 A 22 22 LYS CB C 19 33.126 31.293 1.833 1
1 206 . 8 1 1 A 23 23 THR H H 20 8.004 8.284 -0.280 1
1 207 . 8 1 1 A 23 23 THR HA H 20 4.333 4.707 -0.374 1
1 212 . 8 1 1 A 23 23 THR C C 20 174.083 172.702 1.381 1
1 213 . 8 1 1 A 23 23 THR CA C 20 61.682 60.650 1.032 1
1 214 . 8 1 1 A 23 23 THR CB C 20 69.908 71.247 -1.339 1
1 216 . 8 1 1 A 23 23 THR N N 20 113.978 118.518 -4.540 1
1 217 . 8 1 1 A 24 24 ASN H H 21 8.289 8.725 -0.436 1
1 218 . 8 1 1 A 24 24 ASN HA H 21 4.689 4.870 -0.181 1
1 223 . 8 1 1 A 24 24 ASN C C 21 174.177 175.380 -1.203 1
1 224 . 8 1 1 A 24 24 ASN CA C 21 52.966 53.561 -0.595 1
1 225 . 8 1 1 A 24 24 ASN CB C 21 38.404 38.920 -0.516 1
1 226 . 8 1 1 A 24 24 ASN N N 21 118.085 124.684 -6.599 1
1 228 . 8 1 1 A 25 25 VAL H H 22 7.381 7.951 -0.570 1
1 229 . 8 1 1 A 25 25 VAL HA H 22 4.336 4.281 0.055 1
1 237 . 8 1 1 A 25 25 VAL C C 22 174.271 175.656 -1.385 1
1 238 . 8 1 1 A 25 25 VAL CA C 22 61.540 62.095 -0.555 1
1 239 . 8 1 1 A 25 25 VAL CB C 22 33.771 32.855 0.916 1
1 242 . 8 1 1 A 25 25 VAL N N 22 115.156 124.679 -9.523 1
1 243 . 8 1 1 A 26 26 TRP H H 23 8.581 8.909 -0.328 1
1 244 . 8 1 1 A 26 26 TRP HA H 23 4.430 5.273 -0.843 1
1 253 . 8 1 1 A 26 26 TRP C C 23 174.803 175.526 -0.723 1
1 254 . 8 1 1 A 26 26 TRP CA C 23 56.721 56.773 -0.052 1
1 255 . 8 1 1 A 26 26 TRP CB C 23 30.651 30.723 -0.072 1
1 261 . 8 1 1 A 26 26 TRP N N 23 120.570 127.693 -7.123 1
1 263 . 8 1 1 A 27 27 VAL H H 24 9.122 8.724 0.398 1
1 264 . 8 1 1 A 27 27 VAL HA H 24 4.774 4.721 0.053 1
1 272 . 8 1 1 A 27 27 VAL C C 24 173.739 174.056 -0.317 1
1 273 . 8 1 1 A 27 27 VAL CA C 24 60.101 61.401 -1.300 1
1 274 . 8 1 1 A 27 27 VAL CB C 24 34.726 33.355 1.371 1
1 277 . 8 1 1 A 27 27 VAL N N 24 121.265 123.196 -1.931 1
1 278 . 8 1 1 A 28 28 LEU H H 25 8.713 9.007 -0.294 1
1 279 . 8 1 1 A 28 28 LEU HA H 25 5.126 5.188 -0.062 1
1 288 . 8 1 1 A 28 28 LEU C C 25 174.177 174.638 -0.461 1
1 289 . 8 1 1 A 28 28 LEU CA C 25 53.863 53.499 0.364 1
1 290 . 8 1 1 A 28 28 LEU CB C 25 46.227 44.443 1.784 1
1 293 . 8 1 1 A 28 28 LEU N N 25 125.972 129.809 -3.837 1
1 294 . 8 1 1 A 29 29 GLU H H 26 9.283 9.108 0.175 1
1 295 . 8 1 1 A 29 29 GLU HA H 26 5.353 5.470 -0.117 1
1 300 . 8 1 1 A 29 29 GLU C C 26 175.867 175.381 0.486 1
1 301 . 8 1 1 A 29 29 GLU CA C 26 53.883 54.820 -0.937 1
1 302 . 8 1 1 A 29 29 GLU CB C 26 34.594 33.123 1.471 1
1 304 . 8 1 1 A 29 29 GLU N N 26 127.083 128.418 -1.335 1
1 305 . 8 1 1 A 30 30 PHE H H 27 8.761 8.876 -0.115 1
1 306 . 8 1 1 A 30 30 PHE HA H 27 4.797 5.393 -0.596 1
1 313 . 8 1 1 A 30 30 PHE C C 27 174.959 173.423 1.536 1
1 314 . 8 1 1 A 30 30 PHE CA C 27 58.160 55.471 2.689 1
1 315 . 8 1 1 A 30 30 PHE CB C 27 40.218 42.196 -1.978 1
1 318 . 8 1 1 A 30 30 PHE N N 27 125.378 121.726 3.652 1
1 319 . 8 1 1 A 31 31 ASP H H 28 8.705 8.605 0.100 1
1 320 . 8 1 1 A 31 31 ASP HA H 28 4.735 4.584 0.151 1
1 323 . 8 1 1 A 31 31 ASP C C 28 175.898 175.974 -0.076 1
1 324 . 8 1 1 A 31 31 ASP CA C 28 54.468 54.477 -0.009 1
1 325 . 8 1 1 A 31 31 ASP CB C 28 41.529 40.702 0.827 1
1 326 . 8 1 1 A 31 31 ASP N N 28 121.546 120.340 1.206 1
1 327 . 8 1 1 A 32 32 ALA H H 29 8.527 8.650 -0.123 1
1 328 . 8 1 1 A 32 32 ALA HA H 29 4.400 4.509 -0.109 1
1 332 . 8 1 1 A 32 32 ALA C C 29 177.150 178.886 -1.736 1
1 333 . 8 1 1 A 32 32 ALA CA C 29 52.027 52.348 -0.321 1
1 334 . 8 1 1 A 32 32 ALA CB C 29 20.212 19.075 1.137 1
1 335 . 8 1 1 A 32 32 ALA N N 29 124.632 126.972 -2.340 1
1 336 . 8 1 1 A 33 33 GLU H H 30 8.481 8.874 -0.393 1
1 337 . 8 1 1 A 33 33 GLU HA H 30 4.281 4.202 0.079 1
1 342 . 8 1 1 A 33 33 GLU C C 30 176.336 176.226 0.110 1
1 343 . 8 1 1 A 33 33 GLU CA C 30 56.309 57.894 -1.585 1
1 344 . 8 1 1 A 33 33 GLU CB C 30 30.309 28.893 1.416 1
1 346 . 8 1 1 A 33 33 GLU N N 30 120.547 121.229 -0.682 1
1 347 . 8 1 1 A 34 34 VAL H H 31 8.140 7.450 0.690 1
1 348 . 8 1 1 A 34 34 VAL HA H 31 4.332 4.365 -0.033 1
1 353 . 8 1 1 A 34 34 VAL CA C 31 60.006 60.428 -0.422 1
1 354 . 8 1 1 A 34 34 VAL CB C 31 32.620 32.825 -0.205 1
1 356 . 8 1 1 A 34 34 VAL N N 31 122.541 122.030 0.511 1
1 357 . 8 1 1 A 35 35 PRO HA H 32 4.343 4.664 -0.321 1
1 364 . 8 1 1 A 35 35 PRO C C 32 176.649 177.074 -0.425 1
1 365 . 8 1 1 A 35 35 PRO CA C 32 63.167 62.372 0.795 1
1 366 . 8 1 1 A 35 35 PRO CB C 32 31.999 33.455 -1.456 1
1 369 . 8 1 1 A 36 36 ARG H H 33 8.282 8.797 -0.515 1
1 370 . 8 1 1 A 36 36 ARG HA H 33 4.268 4.039 0.229 1
1 377 . 8 1 1 A 36 36 ARG C C 33 176.148 176.279 -0.131 1
1 378 . 8 1 1 A 36 36 ARG CA C 33 55.845 58.300 -2.455 1
1 379 . 8 1 1 A 36 36 ARG CB C 33 31.061 29.560 1.501 1
1 382 . 8 1 1 A 36 36 ARG N N 33 121.352 119.469 1.883 1
1 383 . 8 1 1 A 37 37 LYS H H 34 8.256 7.595 0.661 1
1 384 . 8 1 1 A 37 37 LYS HA H 34 4.265 4.300 -0.035 1
1 391 . 8 1 1 A 37 37 LYS C C 34 176.054 175.958 0.096 1
1 392 . 8 1 1 A 37 37 LYS CA C 34 56.220 56.751 -0.531 1
1 393 . 8 1 1 A 37 37 LYS CB C 34 33.103 32.870 0.233 1
1 396 . 8 1 1 A 37 37 LYS N N 34 122.458 121.914 0.544 1
1 397 . 8 1 1 A 38 38 ILE H H 35 8.066 8.379 -0.313 1
1 398 . 8 1 1 A 38 38 ILE HA H 35 4.053 4.459 -0.406 1
1 408 . 8 1 1 A 38 38 ILE C C 35 175.397 175.354 0.043 1
1 409 . 8 1 1 A 38 38 ILE CA C 35 60.560 59.765 0.795 1
1 410 . 8 1 1 A 38 38 ILE CB C 35 38.883 39.773 -0.890 1
1 414 . 8 1 1 A 38 38 ILE N N 35 121.996 122.621 -0.625 1
1 415 . 8 1 1 A 39 39 ASP H H 36 8.270 8.912 -0.642 1
1 416 . 8 1 1 A 39 39 ASP HA H 36 4.824 4.937 -0.113 1
1 419 . 8 1 1 A 39 39 ASP CA C 36 52.138 51.843 0.295 1
1 420 . 8 1 1 A 39 39 ASP CB C 36 42.009 40.859 1.150 1
1 421 . 8 1 1 A 39 39 ASP N N 36 126.273 122.410 3.863 1
1 422 . 8 1 1 A 40 40 PRO HA H 37 4.295 4.449 -0.154 1
1 429 . 8 1 1 A 40 40 PRO C C 37 177.275 177.885 -0.610 1
1 430 . 8 1 1 A 40 40 PRO CA C 37 63.731 64.048 -0.317 1
1 431 . 8 1 1 A 40 40 PRO CB C 37 32.135 31.799 0.336 1
1 434 . 8 1 1 A 41 41 ILE H H 38 8.115 8.230 -0.115 1
1 435 . 8 1 1 A 41 41 ILE HA H 38 4.030 3.854 0.176 1
1 445 . 8 1 1 A 41 41 ILE C C 38 176.993 176.293 0.700 1
1 446 . 8 1 1 A 41 41 ILE CA C 38 61.790 64.164 -2.374 1
1 447 . 8 1 1 A 41 41 ILE CB C 38 38.132 38.139 -0.007 1
1 451 . 8 1 1 A 41 41 ILE N N 38 119.202 118.263 0.939 1
1 452 . 8 1 1 A 42 42 MET H H 39 8.189 7.699 0.490 1
1 453 . 8 1 1 A 42 42 MET HA H 39 4.351 4.846 -0.495 1
1 458 . 8 1 1 A 42 42 MET C C 39 176.962 176.531 0.431 1
1 459 . 8 1 1 A 42 42 MET CA C 39 55.532 53.570 1.962 1
1 460 . 8 1 1 A 42 42 MET CB C 39 32.249 34.711 -2.462 1
1 462 . 8 1 1 A 42 42 MET N N 39 120.640 117.246 3.394 1
1 463 . 8 1 1 A 43 43 GLY H H 40 8.105 8.515 -0.410 1
1 464 . 8 1 1 A 43 43 GLY HA2 H 40 3.931 4.161 -0.230 1
1 465 . 8 1 1 A 43 43 GLY HA3 H 40 3.740 4.172 -0.432 1
1 466 . 8 1 1 A 43 43 GLY C C 40 173.707 174.777 -1.070 1
1 467 . 8 1 1 A 43 43 GLY CA C 40 45.455 44.302 1.153 1
1 468 . 8 1 1 A 43 43 GLY N N 40 108.720 106.933 1.787 1
1 469 . 8 1 1 A 44 44 TYR H H 41 7.984 8.859 -0.875 1
1 470 . 8 1 1 A 44 44 TYR HA H 41 4.609 4.324 0.285 1
1 477 . 8 1 1 A 44 44 TYR C C 41 175.929 177.748 -1.819 1
1 478 . 8 1 1 A 44 44 TYR CA C 41 57.847 60.663 -2.816 1
1 479 . 8 1 1 A 44 44 TYR CB C 41 39.008 39.392 -0.384 1
1 482 . 8 1 1 A 44 44 TYR N N 41 120.435 120.459 -0.024 1
1 483 . 8 1 1 A 45 45 THR H H 42 8.112 8.296 -0.184 1
1 484 . 8 1 1 A 45 45 THR HA H 42 4.281 3.934 0.347 1
1 486 . 8 1 1 A 45 45 THR C C 42 177.024 176.051 0.973 1
1 487 . 8 1 1 A 45 45 THR CA C 42 61.540 64.168 -2.628 1
1 488 . 8 1 1 A 45 45 THR CB C 42 70.145 68.694 1.451 1
1 489 . 8 1 1 A 45 45 THR N N 42 116.187 114.715 1.472 1
1 490 . 8 1 1 A 46 46 SER H H 43 8.447 7.966 0.481 1
1 491 . 8 1 1 A 46 46 SER N N 43 121.723 114.529 7.194 1
1 492 . 8 1 1 A 47 47 SER HA H 44 4.224 4.746 -0.522 1
1 495 . 8 1 1 A 47 47 SER CA C 44 59.935 56.442 3.493 1
1 496 . 8 1 1 A 47 47 SER CB C 44 64.763 65.493 -0.730 1
1 497 . 8 1 1 A 48 48 SER HA H 45 4.365 4.372 -0.007 1
1 500 . 8 1 1 A 48 48 SER C C 45 174.302 174.819 -0.517 1
1 501 . 8 1 1 A 48 48 SER CA C 45 58.704 56.837 1.867 1
1 502 . 8 1 1 A 48 48 SER CB C 45 63.564 65.041 -1.477 1
1 503 . 8 1 1 A 49 49 ASP H H 46 8.198 8.890 -0.692 1
1 504 . 8 1 1 A 49 49 ASP HA H 46 4.553 4.430 0.123 1
1 507 . 8 1 1 A 49 49 ASP C C 46 176.211 178.409 -2.198 1
1 508 . 8 1 1 A 49 49 ASP CA C 46 54.572 57.013 -2.441 1
1 509 . 8 1 1 A 49 49 ASP CB C 46 40.971 40.345 0.626 1
1 510 . 8 1 1 A 49 49 ASP N N 46 121.811 125.121 -3.310 1
1 511 . 8 1 1 A 50 50 MET H H 47 8.089 7.762 0.327 1
1 512 . 8 1 1 A 50 50 MET HA H 47 4.374 4.417 -0.043 1
1 517 . 8 1 1 A 50 50 MET C C 47 176.100 176.244 -0.144 1
1 518 . 8 1 1 A 50 50 MET CA C 47 55.595 57.576 -1.981 1
1 519 . 8 1 1 A 50 50 MET CB C 47 32.625 33.188 -0.563 1
1 521 . 8 1 1 A 50 50 MET N N 47 120.102 118.676 1.426 1
1 522 . 8 1 1 A 51 51 LYS H H 48 8.198 7.591 0.607 1
1 523 . 8 1 1 A 51 51 LYS HA H 48 4.343 4.681 -0.338 1
1 532 . 8 1 1 A 51 51 LYS C C 48 176.273 174.156 2.117 1
1 533 . 8 1 1 A 51 51 LYS CA C 48 56.158 55.138 1.020 1
1 534 . 8 1 1 A 51 51 LYS CB C 48 33.042 33.815 -0.773 1
1 538 . 8 1 1 A 51 51 LYS N N 48 121.811 112.611 9.200 1
1 539 . 8 1 1 A 52 52 GLN H H 49 8.372 8.670 -0.298 1
1 540 . 8 1 1 A 52 52 GLN HA H 49 4.330 5.035 -0.705 1
1 545 . 8 1 1 A 52 52 GLN C C 49 175.303 174.458 0.845 1
1 546 . 8 1 1 A 52 52 GLN CA C 49 55.180 53.771 1.409 1
1 547 . 8 1 1 A 52 52 GLN CB C 49 30.017 31.581 -1.564 1
1 549 . 8 1 1 A 52 52 GLN N N 49 120.928 116.678 4.250 1
1 550 . 8 1 1 A 53 53 GLN H H 50 8.366 8.458 -0.092 1
1 551 . 8 1 1 A 53 53 GLN HA H 50 4.455 4.992 -0.537 1
1 558 . 8 1 1 A 53 53 GLN C C 50 175.616 174.438 1.178 1
1 559 . 8 1 1 A 53 53 GLN CA C 50 55.825 54.095 1.730 1
1 560 . 8 1 1 A 53 53 GLN CB C 50 29.988 31.410 -1.422 1
1 562 . 8 1 1 A 53 53 GLN N N 50 122.169 117.653 4.516 1
1 564 . 8 1 1 A 54 54 VAL H H 51 8.577 8.281 0.296 1
1 565 . 8 1 1 A 54 54 VAL HA H 51 3.999 4.680 -0.681 1
1 570 . 8 1 1 A 54 54 VAL C C 51 174.678 174.081 0.597 1
1 571 . 8 1 1 A 54 54 VAL CA C 51 62.792 60.111 2.681 1
1 572 . 8 1 1 A 54 54 VAL CB C 51 32.809 35.363 -2.554 1
1 574 . 8 1 1 A 54 54 VAL N N 51 124.540 119.836 4.704 1
1 575 . 8 1 1 A 55 55 LYS H H 52 8.025 8.908 -0.883 1
1 576 . 8 1 1 A 55 55 LYS HA H 52 5.098 5.637 -0.539 1
1 585 . 8 1 1 A 55 55 LYS C C 52 175.397 174.566 0.831 1
1 586 . 8 1 1 A 55 55 LYS CA C 52 55.259 54.531 0.728 1
1 587 . 8 1 1 A 55 55 LYS CB C 52 35.090 36.109 -1.019 1
1 591 . 8 1 1 A 55 55 LYS N N 52 123.649 122.673 0.976 1
1 592 . 8 1 1 A 56 56 LEU H H 53 8.965 9.030 -0.065 1
1 593 . 8 1 1 A 56 56 LEU HA H 53 4.527 4.945 -0.418 1
1 602 . 8 1 1 A 56 56 LEU C C 53 175.272 176.211 -0.939 1
1 603 . 8 1 1 A 56 56 LEU CA C 53 53.385 53.212 0.173 1
1 604 . 8 1 1 A 56 56 LEU CB C 53 45.496 45.351 0.145 1
1 607 . 8 1 1 A 56 56 LEU N N 53 125.718 124.535 1.183 1
1 608 . 8 1 1 A 57 57 THR H H 54 7.647 8.898 -1.251 1
1 609 . 8 1 1 A 57 57 THR HA H 54 5.197 5.610 -0.413 1
1 614 . 8 1 1 A 57 57 THR C C 54 173.426 173.272 0.154 1
1 615 . 8 1 1 A 57 57 THR CA C 54 60.016 59.549 0.467 1
1 616 . 8 1 1 A 57 57 THR CB C 54 71.074 71.191 -0.117 1
1 618 . 8 1 1 A 57 57 THR N N 54 110.955 112.383 -1.428 1
1 619 . 8 1 1 A 58 58 PHE H H 55 9.240 8.878 0.362 1
1 620 . 8 1 1 A 58 58 PHE HA H 55 4.703 4.921 -0.218 1
1 626 . 8 1 1 A 58 58 PHE C C 55 175.225 176.067 -0.842 1
1 627 . 8 1 1 A 58 58 PHE CA C 55 56.721 56.383 0.338 1
1 628 . 8 1 1 A 58 58 PHE CB C 55 44.606 43.426 1.180 1
1 631 . 8 1 1 A 58 58 PHE N N 55 119.380 119.632 -0.252 1
1 632 . 8 1 1 A 59 59 GLU H H 56 8.828 8.500 0.328 1
1 633 . 8 1 1 A 59 59 GLU HA H 56 4.390 4.305 0.085 1
1 638 . 8 1 1 A 59 59 GLU C C 56 176.868 176.818 0.050 1
1 639 . 8 1 1 A 59 59 GLU CA C 56 58.849 59.073 -0.224 1
1 640 . 8 1 1 A 59 59 GLU CB C 56 30.977 30.611 0.366 1
1 642 . 8 1 1 A 59 59 GLU N N 56 119.209 122.070 -2.861 1
1 643 . 8 1 1 A 60 60 THR H H 57 7.090 7.632 -0.542 1
1 644 . 8 1 1 A 60 60 THR HA H 57 4.538 4.472 0.066 1
1 649 . 8 1 1 A 60 60 THR C C 57 173.113 174.841 -1.728 1
1 650 . 8 1 1 A 60 60 THR CA C 57 58.619 59.529 -0.910 1
1 651 . 8 1 1 A 60 60 THR CB C 57 72.972 72.606 0.366 1
1 653 . 8 1 1 A 60 60 THR N N 57 102.317 110.648 -8.331 1
1 654 . 8 1 1 A 61 61 GLN H H 58 7.590 7.723 -0.133 1
1 655 . 8 1 1 A 61 61 GLN HA H 58 2.307 3.200 -0.893 1
1 662 . 8 1 1 A 61 61 GLN C C 58 177.713 177.236 0.477 1
1 663 . 8 1 1 A 61 61 GLN CA C 58 58.692 58.610 0.082 1
1 664 . 8 1 1 A 61 61 GLN CB C 58 27.689 27.747 -0.058 1
1 666 . 8 1 1 A 61 61 GLN N N 58 122.133 120.812 1.321 1
1 668 . 8 1 1 A 62 62 GLU H H 59 8.587 8.082 0.505 1
1 669 . 8 1 1 A 62 62 GLU HA H 59 3.673 3.814 -0.141 1
1 674 . 8 1 1 A 62 62 GLU C C 59 179.337 179.366 -0.029 1
1 675 . 8 1 1 A 62 62 GLU CA C 59 59.847 59.196 0.651 1
1 676 . 8 1 1 A 62 62 GLU CB C 59 28.578 29.108 -0.530 1
1 678 . 8 1 1 A 62 62 GLU N N 59 117.069 117.636 -0.567 1
1 679 . 8 1 1 A 63 63 GLN H H 60 7.671 7.850 -0.179 1
1 680 . 8 1 1 A 63 63 GLN HA H 60 3.812 3.806 0.006 1
1 687 . 8 1 1 A 63 63 GLN C C 60 178.339 177.512 0.827 1
1 688 . 8 1 1 A 63 63 GLN CA C 60 58.411 58.673 -0.262 1
1 689 . 8 1 1 A 63 63 GLN CB C 60 29.308 28.704 0.604 1
1 691 . 8 1 1 A 63 63 GLN N N 60 118.959 118.553 0.406 1
1 693 . 8 1 1 A 64 64 ALA H H 61 6.836 7.506 -0.670 1
1 694 . 8 1 1 A 64 64 ALA HA H 61 1.982 3.175 -1.193 1
1 698 . 8 1 1 A 64 64 ALA C C 61 178.151 179.455 -1.304 1
1 699 . 8 1 1 A 64 64 ALA CA C 61 54.112 54.409 -0.297 1
1 700 . 8 1 1 A 64 64 ALA CB C 61 18.627 18.134 0.493 1
1 701 . 8 1 1 A 64 64 ALA N N 61 123.296 122.004 1.292 1
1 702 . 8 1 1 A 65 65 GLU H H 62 8.014 7.913 0.101 1
1 703 . 8 1 1 A 65 65 GLU HA H 62 2.853 3.542 -0.689 1
1 708 . 8 1 1 A 65 65 GLU C C 62 177.901 178.738 -0.837 1
1 709 . 8 1 1 A 65 65 GLU CA C 62 60.601 58.644 1.957 1
1 710 . 8 1 1 A 65 65 GLU CB C 62 30.597 28.748 1.849 1
1 712 . 8 1 1 A 65 65 GLU N N 62 115.643 116.375 -0.732 1
1 713 . 8 1 1 A 66 66 ALA H H 63 7.954 7.795 0.159 1
1 714 . 8 1 1 A 66 66 ALA HA H 63 3.812 3.992 -0.180 1
1 718 . 8 1 1 A 66 66 ALA C C 63 180.245 179.183 1.062 1
1 719 . 8 1 1 A 66 66 ALA CA C 63 54.968 54.652 0.316 1
1 720 . 8 1 1 A 66 66 ALA CB C 63 17.876 18.040 -0.164 1
1 721 . 8 1 1 A 66 66 ALA N N 63 120.250 122.671 -2.421 1
1 722 . 8 1 1 A 67 67 TYR H H 64 7.373 7.454 -0.081 1
1 723 . 8 1 1 A 67 67 TYR HA H 64 3.789 4.030 -0.241 1
1 730 . 8 1 1 A 67 67 TYR C C 64 176.680 176.504 0.176 1
1 731 . 8 1 1 A 67 67 TYR CA C 64 61.624 61.727 -0.103 1
1 732 . 8 1 1 A 67 67 TYR CB C 64 38.947 38.524 0.423 1
1 735 . 8 1 1 A 67 67 TYR N N 64 119.523 119.809 -0.286 1
1 736 . 8 1 1 A 68 68 ALA H H 65 7.653 7.697 -0.044 1
1 737 . 8 1 1 A 68 68 ALA HA H 65 3.608 3.870 -0.262 1
1 741 . 8 1 1 A 68 68 ALA C C 65 179.650 179.878 -0.228 1
1 742 . 8 1 1 A 68 68 ALA CA C 65 55.407 55.195 0.212 1
1 743 . 8 1 1 A 68 68 ALA CB C 65 18.001 17.963 0.038 1
1 744 . 8 1 1 A 68 68 ALA N N 65 120.416 121.593 -1.177 1
1 745 . 8 1 1 A 69 69 GLN H H 66 8.491 8.271 0.220 1
1 746 . 8 1 1 A 69 69 GLN HA H 66 4.150 3.944 0.206 1
1 753 . 8 1 1 A 69 69 GLN C C 66 180.119 178.325 1.794 1
1 754 . 8 1 1 A 69 69 GLN CA C 66 58.639 59.057 -0.418 1
1 755 . 8 1 1 A 69 69 GLN CB C 66 28.035 28.371 -0.336 1
1 757 . 8 1 1 A 69 69 GLN N N 66 115.832 117.261 -1.429 1
1 759 . 8 1 1 A 70 70 ARG H H 67 7.962 7.706 0.256 1
1 760 . 8 1 1 A 70 70 ARG HA H 67 3.991 4.002 -0.011 1
1 767 . 8 1 1 A 70 70 ARG C C 67 178.370 178.093 0.277 1
1 768 . 8 1 1 A 70 70 ARG CA C 67 58.849 58.864 -0.015 1
1 769 . 8 1 1 A 70 70 ARG CB C 67 29.735 29.732 0.003 1
1 772 . 8 1 1 A 70 70 ARG N N 67 120.213 120.031 0.182 1
1 773 . 8 1 1 A 71 71 LYS H H 68 7.506 7.286 0.220 1
1 774 . 8 1 1 A 71 71 LYS HA H 68 4.132 4.158 -0.026 1
1 783 . 8 1 1 A 71 71 LYS C C 68 176.712 176.965 -0.253 1
1 784 . 8 1 1 A 71 71 LYS CA C 68 54.781 55.786 -1.005 1
1 785 . 8 1 1 A 71 71 LYS CB C 68 32.447 32.868 -0.421 1
1 789 . 8 1 1 A 71 71 LYS N N 68 115.757 115.773 -0.016 1
1 790 . 8 1 1 A 72 72 GLY H H 69 7.680 7.758 -0.078 1
1 791 . 8 1 1 A 72 72 GLY HA2 H 69 3.887 3.929 -0.042 1
1 792 . 8 1 1 A 72 72 GLY HA3 H 69 3.818 3.941 -0.123 1
1 793 . 8 1 1 A 72 72 GLY C C 69 175.415 174.351 1.064 1
1 794 . 8 1 1 A 72 72 GLY CA C 69 46.621 45.137 1.484 1
1 795 . 8 1 1 A 72 72 GLY N N 69 109.542 106.018 3.524 1
1 796 . 8 1 1 A 73 73 ILE H H 70 8.180 7.400 0.780 1
1 797 . 8 1 1 A 73 73 ILE HA H 70 3.951 3.993 -0.042 1
1 805 . 8 1 1 A 73 73 ILE C C 70 175.835 175.876 -0.041 1
1 806 . 8 1 1 A 73 73 ILE CA C 70 60.560 61.291 -0.731 1
1 807 . 8 1 1 A 73 73 ILE CB C 70 40.035 37.827 2.208 1
1 810 . 8 1 1 A 73 73 ILE N N 70 121.234 122.770 -1.536 1
1 811 . 8 1 1 A 74 74 GLU H H 71 8.428 8.484 -0.056 1
1 812 . 8 1 1 A 74 74 GLU HA H 71 4.289 4.238 0.051 1
1 817 . 8 1 1 A 74 74 GLU C C 71 175.460 176.363 -0.903 1
1 818 . 8 1 1 A 74 74 GLU CA C 71 56.533 56.821 -0.288 1
1 819 . 8 1 1 A 74 74 GLU CB C 71 29.683 29.843 -0.160 1
1 821 . 8 1 1 A 74 74 GLU N N 71 129.096 127.775 1.321 1
1 822 . 8 1 1 A 75 75 TYR H H 72 8.004 8.585 -0.581 1
1 823 . 8 1 1 A 75 75 TYR HA H 72 5.805 5.687 0.118 1
1 830 . 8 1 1 A 75 75 TYR C C 72 173.332 172.295 1.037 1
1 831 . 8 1 1 A 75 75 TYR CA C 72 55.323 55.759 -0.436 1
1 832 . 8 1 1 A 75 75 TYR CB C 72 42.290 41.814 0.476 1
1 835 . 8 1 1 A 75 75 TYR N N 72 120.850 117.971 2.879 1
1 836 . 8 1 1 A 76 76 ARG H H 73 7.936 8.997 -1.061 1
1 837 . 8 1 1 A 76 76 ARG HA H 73 4.656 5.029 -0.373 1
1 844 . 8 1 1 A 76 76 ARG C C 73 174.302 175.642 -1.340 1
1 845 . 8 1 1 A 76 76 ARG CA C 73 53.883 54.645 -0.762 1
1 846 . 8 1 1 A 76 76 ARG CB C 73 32.856 33.549 -0.693 1
1 849 . 8 1 1 A 76 76 ARG N N 73 117.640 121.105 -3.465 1
1 850 . 8 1 1 A 77 77 VAL H H 74 8.859 8.908 -0.049 1
1 851 . 8 1 1 A 77 77 VAL HA H 74 4.885 5.026 -0.141 1
1 859 . 8 1 1 A 77 77 VAL C C 74 176.023 175.194 0.829 1
1 860 . 8 1 1 A 77 77 VAL CA C 74 61.540 61.284 0.256 1
1 861 . 8 1 1 A 77 77 VAL CB C 74 32.377 33.375 -0.998 1
1 864 . 8 1 1 A 77 77 VAL N N 74 124.091 122.916 1.175 1
1 865 . 8 1 1 A 78 78 ILE H H 75 9.282 9.636 -0.354 1
1 866 . 8 1 1 A 78 78 ILE HA H 75 4.297 4.965 -0.668 1
1 876 . 8 1 1 A 78 78 ILE C C 75 175.178 174.686 0.492 1
1 877 . 8 1 1 A 78 78 ILE CA C 75 59.850 59.926 -0.076 1
1 878 . 8 1 1 A 78 78 ILE CB C 75 37.546 41.843 -4.297 1
1 882 . 8 1 1 A 78 78 ILE N N 75 130.317 125.723 4.594 1
1 883 . 8 1 1 A 79 79 LEU H H 76 8.428 9.014 -0.586 1
1 884 . 8 1 1 A 79 79 LEU HA H 76 4.747 4.982 -0.235 1
1 894 . 8 1 1 A 79 79 LEU CA C 76 52.672 51.942 0.730 1
1 895 . 8 1 1 A 79 79 LEU CB C 76 41.865 41.959 -0.094 1
1 899 . 8 1 1 A 79 79 LEU N N 76 128.194 127.725 0.469 1
1 900 . 8 1 1 A 80 80 PRO HA H 77 4.402 4.720 -0.318 1
1 907 . 8 1 1 A 80 80 PRO C C 77 177.087 176.983 0.104 1
1 908 . 8 1 1 A 80 80 PRO CA C 77 63.104 62.008 1.096 1
1 909 . 8 1 1 A 80 80 PRO CB C 77 32.145 33.097 -0.952 1
1 912 . 8 1 1 A 81 81 LYS H H 78 8.373 8.659 -0.286 1
1 913 . 8 1 1 A 81 81 LYS HA H 78 4.205 3.998 0.207 1
1 922 . 8 1 1 A 81 81 LYS C C 78 174.200 177.918 -3.718 1
1 923 . 8 1 1 A 81 81 LYS CA C 78 57.050 58.906 -1.856 1
1 924 . 8 1 1 A 81 81 LYS CB C 78 32.750 31.710 1.040 1
1 928 . 8 1 1 A 81 81 LYS N N 78 121.644 120.810 0.834 1
1 929 . 8 1 1 A 82 82 GLU H H 79 8.452 7.937 0.515 1
1 930 . 8 1 1 A 82 82 GLU HA H 79 4.216 4.296 -0.080 1
1 935 . 8 1 1 A 82 82 GLU C C 79 176.336 176.795 -0.459 1
1 936 . 8 1 1 A 82 82 GLU CA C 79 56.533 59.186 -2.653 1
1 937 . 8 1 1 A 82 82 GLU CB C 79 29.996 30.317 -0.321 1
1 939 . 8 1 1 A 82 82 GLU N N 79 121.461 117.695 3.766 1
1 10 . 9 1 1 A 5 5 SER H H 2 8.403 9.077 -0.674 1
1 11 . 9 1 1 A 5 5 SER HA H 2 5.099 5.911 -0.812 1
1 14 . 9 1 1 A 5 5 SER C C 2 173.833 173.249 0.584 1
1 15 . 9 1 1 A 5 5 SER CA C 2 57.556 56.572 0.984 1
1 16 . 9 1 1 A 5 5 SER CB C 2 65.337 65.531 -0.194 1
1 17 . 9 1 1 A 5 5 SER N N 2 116.747 113.116 3.631 1
1 18 . 9 1 1 A 6 6 ALA H H 3 8.552 9.391 -0.839 1
1 19 . 9 1 1 A 6 6 ALA HA H 3 5.040 5.579 -0.539 1
1 23 . 9 1 1 A 6 6 ALA C C 3 176.117 177.074 -0.957 1
1 24 . 9 1 1 A 6 6 ALA CA C 3 51.500 50.381 1.119 1
1 25 . 9 1 1 A 6 6 ALA CB C 3 23.991 21.442 2.549 1
1 26 . 9 1 1 A 6 6 ALA N N 3 123.072 127.294 -4.222 1
1 27 . 9 1 1 A 7 7 LYS H H 4 8.706 9.340 -0.634 1
1 28 . 9 1 1 A 7 7 LYS HA H 4 5.428 5.219 0.209 1
1 37 . 9 1 1 A 7 7 LYS C C 4 174.490 175.615 -1.125 1
1 38 . 9 1 1 A 7 7 LYS CA C 4 54.280 55.234 -0.954 1
1 39 . 9 1 1 A 7 7 LYS CB C 4 36.399 35.056 1.343 1
1 43 . 9 1 1 A 7 7 LYS N N 4 117.868 119.332 -1.464 1
1 44 . 9 1 1 A 8 8 ILE H H 5 8.752 9.020 -0.268 1
1 45 . 9 1 1 A 8 8 ILE HA H 5 5.741 5.178 0.563 1
1 55 . 9 1 1 A 8 8 ILE C C 5 174.552 174.888 -0.336 1
1 56 . 9 1 1 A 8 8 ILE CA C 5 59.953 60.683 -0.730 1
1 57 . 9 1 1 A 8 8 ILE CB C 5 41.115 39.326 1.789 1
1 61 . 9 1 1 A 8 8 ILE N N 5 122.521 125.889 -3.368 1
1 62 . 9 1 1 A 9 9 TYR H H 6 8.980 8.618 0.362 1
1 63 . 9 1 1 A 9 9 TYR HA H 6 5.214 5.645 -0.431 1
1 68 . 9 1 1 A 9 9 TYR C C 6 171.856 172.689 -0.833 1
1 69 . 9 1 1 A 9 9 TYR CA C 6 56.053 56.042 0.011 1
1 70 . 9 1 1 A 9 9 TYR CB C 6 40.371 41.263 -0.892 1
1 72 . 9 1 1 A 9 9 TYR N N 6 122.495 124.458 -1.963 1
1 73 . 9 1 1 A 10 10 ARG H H 7 8.830 8.625 0.205 1
1 74 . 9 1 1 A 10 10 ARG HA H 7 4.498 4.686 -0.188 1
1 81 . 9 1 1 A 10 10 ARG CA C 7 51.891 53.037 -1.146 1
1 82 . 9 1 1 A 10 10 ARG CB C 7 30.299 31.668 -1.369 1
1 85 . 9 1 1 A 10 10 ARG N N 7 122.632 120.374 2.258 1
1 86 . 9 1 1 A 11 11 PRO HA H 8 4.369 4.835 -0.466 1
1 93 . 9 1 1 A 11 11 PRO C C 8 176.086 176.352 -0.266 1
1 94 . 9 1 1 A 11 11 PRO CA C 8 62.730 62.428 0.302 1
1 95 . 9 1 1 A 11 11 PRO CB C 8 32.364 33.297 -0.933 1
1 98 . 9 1 1 A 12 12 ALA H H 9 8.384 8.506 -0.122 1
1 99 . 9 1 1 A 12 12 ALA HA H 9 4.193 4.157 0.036 1
1 103 . 9 1 1 A 12 12 ALA C C 9 177.948 177.222 0.726 1
1 104 . 9 1 1 A 12 12 ALA CA C 9 52.406 53.617 -1.211 1
1 105 . 9 1 1 A 12 12 ALA CB C 9 19.441 19.951 -0.510 1
1 106 . 9 1 1 A 12 12 ALA N N 9 124.348 121.296 3.052 1
1 107 . 9 1 1 A 13 13 LYS H H 10 8.242 7.458 0.784 1
1 108 . 9 1 1 A 13 13 LYS HA H 10 4.289 4.655 -0.366 1
1 117 . 9 1 1 A 13 13 LYS C C 10 176.555 175.471 1.084 1
1 118 . 9 1 1 A 13 13 LYS CA C 10 56.345 54.998 1.347 1
1 119 . 9 1 1 A 13 13 LYS CB C 10 33.052 35.357 -2.305 1
1 123 . 9 1 1 A 13 13 LYS N N 10 120.348 114.874 5.474 1
1 124 . 9 1 1 A 14 14 THR H H 11 7.950 8.659 -0.709 1
1 125 . 9 1 1 A 14 14 THR HA H 11 4.320 4.472 -0.152 1
1 130 . 9 1 1 A 14 14 THR C C 11 174.302 174.655 -0.353 1
1 131 . 9 1 1 A 14 14 THR CA C 11 61.603 62.410 -0.807 1
1 132 . 9 1 1 A 14 14 THR CB C 11 69.699 69.444 0.255 1
1 134 . 9 1 1 A 14 14 THR N N 11 112.991 113.730 -0.739 1
1 135 . 9 1 1 A 15 15 ALA H H 12 8.189 7.759 0.430 1
1 136 . 9 1 1 A 15 15 ALA HA H 12 4.250 4.470 -0.220 1
1 140 . 9 1 1 A 15 15 ALA C C 12 177.838 177.032 0.806 1
1 141 . 9 1 1 A 15 15 ALA CA C 12 52.840 51.378 1.462 1
1 142 . 9 1 1 A 15 15 ALA CB C 12 19.231 20.028 -0.797 1
1 143 . 9 1 1 A 15 15 ALA N N 12 125.979 122.313 3.666 1
1 144 . 9 1 1 A 16 16 MET H H 13 8.110 8.910 -0.800 1
1 145 . 9 1 1 A 16 16 MET HA H 13 4.374 4.554 -0.180 1
1 150 . 9 1 1 A 16 16 MET C C 13 176.148 175.290 0.858 1
1 151 . 9 1 1 A 16 16 MET CA C 13 55.595 56.686 -1.091 1
1 152 . 9 1 1 A 16 16 MET CB C 13 32.625 33.848 -1.223 1
1 154 . 9 1 1 A 16 16 MET N N 13 118.186 121.721 -3.535 1
1 155 . 9 1 1 A 17 17 GLN H H 14 8.198 7.825 0.373 1
1 156 . 9 1 1 A 17 17 GLN HA H 14 4.273 4.381 -0.108 1
1 161 . 9 1 1 A 17 17 GLN C C 14 175.992 176.034 -0.042 1
1 162 . 9 1 1 A 17 17 GLN CA C 14 56.032 55.168 0.864 1
1 163 . 9 1 1 A 17 17 GLN CB C 14 29.371 30.664 -1.293 1
1 165 . 9 1 1 A 17 17 GLN N N 14 121.811 120.651 1.160 1
1 166 . 9 1 1 A 18 18 SER H H 15 8.275 8.926 -0.651 1
1 167 . 9 1 1 A 18 18 SER HA H 15 4.379 4.269 0.110 1
1 170 . 9 1 1 A 18 18 SER C C 15 175.053 174.430 0.623 1
1 171 . 9 1 1 A 18 18 SER CA C 15 58.536 60.520 -1.984 1
1 172 . 9 1 1 A 18 18 SER CB C 15 63.856 62.668 1.188 1
1 173 . 9 1 1 A 18 18 SER N N 15 116.768 123.181 -6.413 1
1 174 . 9 1 1 A 19 19 GLY H H 16 8.430 8.350 0.080 1
1 175 . 9 1 1 A 19 19 GLY HA2 H 16 4.031 3.865 0.166 1
1 176 . 9 1 1 A 19 19 GLY HA3 H 16 3.906 3.869 0.037 1
1 177 . 9 1 1 A 19 19 GLY C C 16 174.490 174.446 0.044 1
1 178 . 9 1 1 A 19 19 GLY CA C 16 45.580 47.063 -1.483 1
1 179 . 9 1 1 A 19 19 GLY N N 16 111.050 109.430 1.620 1
1 180 . 9 1 1 A 20 20 THR H H 17 7.950 7.960 -0.010 1
1 181 . 9 1 1 A 20 20 THR HA H 17 4.289 4.663 -0.374 1
1 185 . 9 1 1 A 20 20 THR C C 17 174.427 173.694 0.733 1
1 186 . 9 1 1 A 20 20 THR CA C 17 61.477 61.270 0.207 1
1 188 . 9 1 1 A 20 20 THR N N 17 112.991 114.993 -2.002 1
1 189 . 9 1 1 A 21 21 ALA H H 18 8.247 8.373 -0.126 1
1 190 . 9 1 1 A 21 21 ALA N N 18 125.213 129.403 -4.190 1
1 191 . 9 1 1 A 22 22 LYS HA H 19 4.265 4.300 -0.035 1
1 200 . 9 1 1 A 22 22 LYS C C 19 176.774 176.884 -0.110 1
1 201 . 9 1 1 A 22 22 LYS CA C 19 56.596 57.623 -1.027 1
1 202 . 9 1 1 A 22 22 LYS CB C 19 33.126 32.993 0.133 1
1 206 . 9 1 1 A 23 23 THR H H 20 8.004 7.611 0.393 1
1 207 . 9 1 1 A 23 23 THR HA H 20 4.333 4.365 -0.032 1
1 212 . 9 1 1 A 23 23 THR C C 20 174.083 173.291 0.792 1
1 213 . 9 1 1 A 23 23 THR CA C 20 61.682 61.339 0.343 1
1 214 . 9 1 1 A 23 23 THR CB C 20 69.908 68.365 1.543 1
1 216 . 9 1 1 A 23 23 THR N N 20 113.978 110.390 3.588 1
1 217 . 9 1 1 A 24 24 ASN H H 21 8.289 8.541 -0.252 1
1 218 . 9 1 1 A 24 24 ASN HA H 21 4.689 4.864 -0.175 1
1 223 . 9 1 1 A 24 24 ASN C C 21 174.177 174.603 -0.426 1
1 224 . 9 1 1 A 24 24 ASN CA C 21 52.966 52.517 0.449 1
1 225 . 9 1 1 A 24 24 ASN CB C 21 38.404 38.070 0.334 1
1 226 . 9 1 1 A 24 24 ASN N N 21 118.085 126.852 -8.767 1
1 228 . 9 1 1 A 25 25 VAL H H 22 7.381 7.996 -0.615 1
1 229 . 9 1 1 A 25 25 VAL HA H 22 4.336 4.813 -0.477 1
1 237 . 9 1 1 A 25 25 VAL C C 22 174.271 175.754 -1.483 1
1 238 . 9 1 1 A 25 25 VAL CA C 22 61.540 60.012 1.528 1
1 239 . 9 1 1 A 25 25 VAL CB C 22 33.771 33.958 -0.187 1
1 242 . 9 1 1 A 25 25 VAL N N 22 115.156 121.878 -6.722 1
1 243 . 9 1 1 A 26 26 TRP H H 23 8.581 8.885 -0.304 1
1 244 . 9 1 1 A 26 26 TRP HA H 23 4.430 5.052 -0.622 1
1 253 . 9 1 1 A 26 26 TRP C C 23 174.803 175.925 -1.122 1
1 254 . 9 1 1 A 26 26 TRP CA C 23 56.721 56.986 -0.265 1
1 255 . 9 1 1 A 26 26 TRP CB C 23 30.651 30.613 0.038 1
1 261 . 9 1 1 A 26 26 TRP N N 23 120.570 121.600 -1.030 1
1 263 . 9 1 1 A 27 27 VAL H H 24 9.122 8.719 0.403 1
1 264 . 9 1 1 A 27 27 VAL HA H 24 4.774 4.752 0.022 1
1 272 . 9 1 1 A 27 27 VAL C C 24 173.739 174.056 -0.317 1
1 273 . 9 1 1 A 27 27 VAL CA C 24 60.101 61.426 -1.325 1
1 274 . 9 1 1 A 27 27 VAL CB C 24 34.726 33.270 1.456 1
1 277 . 9 1 1 A 27 27 VAL N N 24 121.265 123.032 -1.767 1
1 278 . 9 1 1 A 28 28 LEU H H 25 8.713 8.958 -0.245 1
1 279 . 9 1 1 A 28 28 LEU HA H 25 5.126 5.152 -0.026 1
1 288 . 9 1 1 A 28 28 LEU C C 25 174.177 174.523 -0.346 1
1 289 . 9 1 1 A 28 28 LEU CA C 25 53.863 53.518 0.345 1
1 290 . 9 1 1 A 28 28 LEU CB C 25 46.227 44.701 1.526 1
1 293 . 9 1 1 A 28 28 LEU N N 25 125.972 129.788 -3.816 1
1 294 . 9 1 1 A 29 29 GLU H H 26 9.283 9.180 0.103 1
1 295 . 9 1 1 A 29 29 GLU HA H 26 5.353 5.258 0.095 1
1 300 . 9 1 1 A 29 29 GLU C C 26 175.867 175.644 0.223 1
1 301 . 9 1 1 A 29 29 GLU CA C 26 53.883 54.859 -0.976 1
1 302 . 9 1 1 A 29 29 GLU CB C 26 34.594 32.597 1.997 1
1 304 . 9 1 1 A 29 29 GLU N N 26 127.083 128.231 -1.148 1
1 305 . 9 1 1 A 30 30 PHE H H 27 8.761 8.778 -0.017 1
1 306 . 9 1 1 A 30 30 PHE HA H 27 4.797 5.489 -0.692 1
1 313 . 9 1 1 A 30 30 PHE C C 27 174.959 173.214 1.745 1
1 314 . 9 1 1 A 30 30 PHE CA C 27 58.160 55.317 2.843 1
1 315 . 9 1 1 A 30 30 PHE CB C 27 40.218 42.357 -2.139 1
1 318 . 9 1 1 A 30 30 PHE N N 27 125.378 121.522 3.856 1
1 319 . 9 1 1 A 31 31 ASP H H 28 8.705 8.843 -0.138 1
1 320 . 9 1 1 A 31 31 ASP HA H 28 4.735 4.614 0.121 1
1 323 . 9 1 1 A 31 31 ASP C C 28 175.898 176.163 -0.265 1
1 324 . 9 1 1 A 31 31 ASP CA C 28 54.468 54.660 -0.192 1
1 325 . 9 1 1 A 31 31 ASP CB C 28 41.529 40.516 1.013 1
1 326 . 9 1 1 A 31 31 ASP N N 28 121.546 120.774 0.772 1
1 327 . 9 1 1 A 32 32 ALA H H 29 8.527 8.379 0.148 1
1 328 . 9 1 1 A 32 32 ALA HA H 29 4.400 4.541 -0.141 1
1 332 . 9 1 1 A 32 32 ALA C C 29 177.150 178.893 -1.743 1
1 333 . 9 1 1 A 32 32 ALA CA C 29 52.027 53.048 -1.021 1
1 334 . 9 1 1 A 32 32 ALA CB C 29 20.212 19.067 1.145 1
1 335 . 9 1 1 A 32 32 ALA N N 29 124.632 128.787 -4.155 1
1 336 . 9 1 1 A 33 33 GLU H H 30 8.481 8.931 -0.450 1
1 337 . 9 1 1 A 33 33 GLU HA H 30 4.281 4.477 -0.196 1
1 342 . 9 1 1 A 33 33 GLU C C 30 176.336 176.422 -0.086 1
1 343 . 9 1 1 A 33 33 GLU CA C 30 56.309 56.118 0.191 1
1 344 . 9 1 1 A 33 33 GLU CB C 30 30.309 29.064 1.245 1
1 346 . 9 1 1 A 33 33 GLU N N 30 120.547 122.284 -1.737 1
1 347 . 9 1 1 A 34 34 VAL H H 31 8.140 7.305 0.835 1
1 348 . 9 1 1 A 34 34 VAL HA H 31 4.332 4.155 0.177 1
1 353 . 9 1 1 A 34 34 VAL CA C 31 60.006 60.806 -0.800 1
1 354 . 9 1 1 A 34 34 VAL CB C 31 32.620 32.976 -0.356 1
1 356 . 9 1 1 A 34 34 VAL N N 31 122.541 121.623 0.918 1
1 357 . 9 1 1 A 35 35 PRO HA H 32 4.343 4.643 -0.300 1
1 364 . 9 1 1 A 35 35 PRO C C 32 176.649 176.617 0.032 1
1 365 . 9 1 1 A 35 35 PRO CA C 32 63.167 62.297 0.870 1
1 366 . 9 1 1 A 35 35 PRO CB C 32 31.999 33.085 -1.086 1
1 369 . 9 1 1 A 36 36 ARG H H 33 8.282 8.761 -0.479 1
1 370 . 9 1 1 A 36 36 ARG HA H 33 4.268 4.020 0.248 1
1 377 . 9 1 1 A 36 36 ARG C C 33 176.148 177.001 -0.853 1
1 378 . 9 1 1 A 36 36 ARG CA C 33 55.845 58.702 -2.857 1
1 379 . 9 1 1 A 36 36 ARG CB C 33 31.061 29.775 1.286 1
1 382 . 9 1 1 A 36 36 ARG N N 33 121.352 119.833 1.519 1
1 383 . 9 1 1 A 37 37 LYS H H 34 8.256 7.725 0.531 1
1 384 . 9 1 1 A 37 37 LYS HA H 34 4.265 4.438 -0.173 1
1 391 . 9 1 1 A 37 37 LYS C C 34 176.054 175.283 0.771 1
1 392 . 9 1 1 A 37 37 LYS CA C 34 56.220 55.165 1.055 1
1 393 . 9 1 1 A 37 37 LYS CB C 34 33.103 31.318 1.785 1
1 396 . 9 1 1 A 37 37 LYS N N 34 122.458 118.178 4.280 1
1 397 . 9 1 1 A 38 38 ILE H H 35 8.066 7.854 0.212 1
1 398 . 9 1 1 A 38 38 ILE HA H 35 4.053 3.982 0.071 1
1 408 . 9 1 1 A 38 38 ILE C C 35 175.397 175.910 -0.513 1
1 409 . 9 1 1 A 38 38 ILE CA C 35 60.560 61.853 -1.293 1
1 410 . 9 1 1 A 38 38 ILE CB C 35 38.883 38.123 0.760 1
1 414 . 9 1 1 A 38 38 ILE N N 35 121.996 124.944 -2.948 1
1 415 . 9 1 1 A 39 39 ASP H H 36 8.270 8.585 -0.315 1
1 416 . 9 1 1 A 39 39 ASP HA H 36 4.824 4.515 0.309 1
1 419 . 9 1 1 A 39 39 ASP CA C 36 52.138 52.919 -0.781 1
1 420 . 9 1 1 A 39 39 ASP CB C 36 42.009 40.356 1.653 1
1 421 . 9 1 1 A 39 39 ASP N N 36 126.273 125.055 1.218 1
1 422 . 9 1 1 A 40 40 PRO HA H 37 4.295 4.076 0.219 1
1 429 . 9 1 1 A 40 40 PRO C C 37 177.275 178.230 -0.955 1
1 430 . 9 1 1 A 40 40 PRO CA C 37 63.731 65.489 -1.758 1
1 431 . 9 1 1 A 40 40 PRO CB C 37 32.135 31.612 0.523 1
1 434 . 9 1 1 A 41 41 ILE H H 38 8.115 7.655 0.460 1
1 435 . 9 1 1 A 41 41 ILE HA H 38 4.030 3.716 0.314 1
1 445 . 9 1 1 A 41 41 ILE C C 38 176.993 177.156 -0.163 1
1 446 . 9 1 1 A 41 41 ILE CA C 38 61.790 64.264 -2.474 1
1 447 . 9 1 1 A 41 41 ILE CB C 38 38.132 37.956 0.176 1
1 451 . 9 1 1 A 41 41 ILE N N 38 119.202 116.000 3.202 1
1 452 . 9 1 1 A 42 42 MET H H 39 8.189 7.709 0.480 1
1 453 . 9 1 1 A 42 42 MET HA H 39 4.351 4.625 -0.274 1
1 458 . 9 1 1 A 42 42 MET C C 39 176.962 176.017 0.945 1
1 459 . 9 1 1 A 42 42 MET CA C 39 55.532 54.194 1.338 1
1 460 . 9 1 1 A 42 42 MET CB C 39 32.249 33.068 -0.819 1
1 462 . 9 1 1 A 42 42 MET N N 39 120.640 115.283 5.357 1
1 463 . 9 1 1 A 43 43 GLY H H 40 8.105 7.095 1.010 1
1 464 . 9 1 1 A 43 43 GLY HA2 H 40 3.931 4.057 -0.126 1
1 465 . 9 1 1 A 43 43 GLY HA3 H 40 3.740 4.096 -0.356 1
1 466 . 9 1 1 A 43 43 GLY C C 40 173.707 174.341 -0.634 1
1 467 . 9 1 1 A 43 43 GLY CA C 40 45.455 45.577 -0.122 1
1 468 . 9 1 1 A 43 43 GLY N N 40 108.720 107.071 1.649 1
1 469 . 9 1 1 A 44 44 TYR H H 41 7.984 7.926 0.058 1
1 470 . 9 1 1 A 44 44 TYR HA H 41 4.609 4.500 0.109 1
1 477 . 9 1 1 A 44 44 TYR C C 41 175.929 176.139 -0.210 1
1 478 . 9 1 1 A 44 44 TYR CA C 41 57.847 59.620 -1.773 1
1 479 . 9 1 1 A 44 44 TYR CB C 41 39.008 38.556 0.452 1
1 482 . 9 1 1 A 44 44 TYR N N 41 120.435 118.569 1.866 1
1 483 . 9 1 1 A 45 45 THR H H 42 8.112 7.813 0.299 1
1 484 . 9 1 1 A 45 45 THR HA H 42 4.281 4.408 -0.127 1
1 486 . 9 1 1 A 45 45 THR C C 42 177.024 175.189 1.835 1
1 487 . 9 1 1 A 45 45 THR CA C 42 61.540 60.915 0.625 1
1 488 . 9 1 1 A 45 45 THR CB C 42 70.145 71.007 -0.862 1
1 489 . 9 1 1 A 45 45 THR N N 42 116.187 112.468 3.719 1
1 490 . 9 1 1 A 46 46 SER H H 43 8.447 8.913 -0.466 1
1 491 . 9 1 1 A 46 46 SER N N 43 121.723 118.000 3.723 1
1 492 . 9 1 1 A 47 47 SER HA H 44 4.224 4.599 -0.375 1
1 495 . 9 1 1 A 47 47 SER CA C 44 59.935 57.692 2.243 1
1 496 . 9 1 1 A 47 47 SER CB C 44 64.763 61.362 3.401 1
1 497 . 9 1 1 A 48 48 SER HA H 45 4.365 4.851 -0.486 1
1 500 . 9 1 1 A 48 48 SER C C 45 174.302 174.083 0.219 1
1 501 . 9 1 1 A 48 48 SER CA C 45 58.704 57.569 1.135 1
1 502 . 9 1 1 A 48 48 SER CB C 45 63.564 66.180 -2.616 1
1 503 . 9 1 1 A 49 49 ASP H H 46 8.198 8.442 -0.244 1
1 504 . 9 1 1 A 49 49 ASP HA H 46 4.553 4.674 -0.121 1
1 507 . 9 1 1 A 49 49 ASP C C 46 176.211 175.717 0.494 1
1 508 . 9 1 1 A 49 49 ASP CA C 46 54.572 53.860 0.712 1
1 509 . 9 1 1 A 49 49 ASP CB C 46 40.971 41.659 -0.688 1
1 510 . 9 1 1 A 49 49 ASP N N 46 121.811 121.303 0.508 1
1 511 . 9 1 1 A 50 50 MET H H 47 8.089 8.320 -0.231 1
1 512 . 9 1 1 A 50 50 MET HA H 47 4.374 4.612 -0.238 1
1 517 . 9 1 1 A 50 50 MET C C 47 176.100 175.584 0.516 1
1 518 . 9 1 1 A 50 50 MET CA C 47 55.595 54.691 0.904 1
1 519 . 9 1 1 A 50 50 MET CB C 47 32.625 33.613 -0.988 1
1 521 . 9 1 1 A 50 50 MET N N 47 120.102 122.626 -2.524 1
1 522 . 9 1 1 A 51 51 LYS H H 48 8.198 8.466 -0.268 1
1 523 . 9 1 1 A 51 51 LYS HA H 48 4.343 4.446 -0.103 1
1 532 . 9 1 1 A 51 51 LYS C C 48 176.273 176.552 -0.279 1
1 533 . 9 1 1 A 51 51 LYS CA C 48 56.158 55.460 0.698 1
1 534 . 9 1 1 A 51 51 LYS CB C 48 33.042 31.865 1.177 1
1 538 . 9 1 1 A 51 51 LYS N N 48 121.811 118.904 2.907 1
1 539 . 9 1 1 A 52 52 GLN H H 49 8.372 8.006 0.366 1
1 540 . 9 1 1 A 52 52 GLN HA H 49 4.330 4.230 0.100 1
1 545 . 9 1 1 A 52 52 GLN C C 49 175.303 175.446 -0.143 1
1 546 . 9 1 1 A 52 52 GLN CA C 49 55.180 55.254 -0.074 1
1 547 . 9 1 1 A 52 52 GLN CB C 49 30.017 29.228 0.789 1
1 549 . 9 1 1 A 52 52 GLN N N 49 120.928 123.842 -2.914 1
1 550 . 9 1 1 A 53 53 GLN H H 50 8.366 8.293 0.073 1
1 551 . 9 1 1 A 53 53 GLN HA H 50 4.455 4.623 -0.168 1
1 558 . 9 1 1 A 53 53 GLN C C 50 175.616 175.636 -0.020 1
1 559 . 9 1 1 A 53 53 GLN CA C 50 55.825 55.551 0.274 1
1 560 . 9 1 1 A 53 53 GLN CB C 50 29.988 29.412 0.576 1
1 562 . 9 1 1 A 53 53 GLN N N 50 122.169 119.329 2.840 1
1 564 . 9 1 1 A 54 54 VAL H H 51 8.577 8.383 0.194 1
1 565 . 9 1 1 A 54 54 VAL HA H 51 3.999 4.973 -0.974 1
1 570 . 9 1 1 A 54 54 VAL C C 51 174.678 174.318 0.360 1
1 571 . 9 1 1 A 54 54 VAL CA C 51 62.792 59.148 3.644 1
1 572 . 9 1 1 A 54 54 VAL CB C 51 32.809 34.597 -1.788 1
1 574 . 9 1 1 A 54 54 VAL N N 51 124.540 118.661 5.879 1
1 575 . 9 1 1 A 55 55 LYS H H 52 8.025 8.982 -0.957 1
1 576 . 9 1 1 A 55 55 LYS HA H 52 5.098 5.274 -0.176 1
1 585 . 9 1 1 A 55 55 LYS C C 52 175.397 174.474 0.923 1
1 586 . 9 1 1 A 55 55 LYS CA C 52 55.259 54.353 0.906 1
1 587 . 9 1 1 A 55 55 LYS CB C 52 35.090 36.412 -1.322 1
1 591 . 9 1 1 A 55 55 LYS N N 52 123.649 120.113 3.536 1
1 592 . 9 1 1 A 56 56 LEU H H 53 8.965 8.941 0.024 1
1 593 . 9 1 1 A 56 56 LEU HA H 53 4.527 4.912 -0.385 1
1 602 . 9 1 1 A 56 56 LEU C C 53 175.272 176.044 -0.772 1
1 603 . 9 1 1 A 56 56 LEU CA C 53 53.385 53.380 0.005 1
1 604 . 9 1 1 A 56 56 LEU CB C 53 45.496 45.828 -0.332 1
1 607 . 9 1 1 A 56 56 LEU N N 53 125.718 122.437 3.281 1
1 608 . 9 1 1 A 57 57 THR H H 54 7.647 8.773 -1.126 1
1 609 . 9 1 1 A 57 57 THR HA H 54 5.197 5.566 -0.369 1
1 614 . 9 1 1 A 57 57 THR C C 54 173.426 173.364 0.062 1
1 615 . 9 1 1 A 57 57 THR CA C 54 60.016 60.158 -0.142 1
1 616 . 9 1 1 A 57 57 THR CB C 54 71.074 70.892 0.182 1
1 618 . 9 1 1 A 57 57 THR N N 54 110.955 112.352 -1.397 1
1 619 . 9 1 1 A 58 58 PHE H H 55 9.240 9.118 0.122 1
1 620 . 9 1 1 A 58 58 PHE HA H 55 4.703 4.950 -0.247 1
1 626 . 9 1 1 A 58 58 PHE C C 55 175.225 176.131 -0.906 1
1 627 . 9 1 1 A 58 58 PHE CA C 55 56.721 56.255 0.466 1
1 628 . 9 1 1 A 58 58 PHE CB C 55 44.606 42.830 1.776 1
1 631 . 9 1 1 A 58 58 PHE N N 55 119.380 120.484 -1.104 1
1 632 . 9 1 1 A 59 59 GLU H H 56 8.828 8.877 -0.049 1
1 633 . 9 1 1 A 59 59 GLU HA H 56 4.390 4.322 0.068 1
1 638 . 9 1 1 A 59 59 GLU C C 56 176.868 176.678 0.190 1
1 639 . 9 1 1 A 59 59 GLU CA C 56 58.849 58.786 0.063 1
1 640 . 9 1 1 A 59 59 GLU CB C 56 30.977 30.861 0.116 1
1 642 . 9 1 1 A 59 59 GLU N N 56 119.209 121.792 -2.583 1
1 643 . 9 1 1 A 60 60 THR H H 57 7.090 7.611 -0.521 1
1 644 . 9 1 1 A 60 60 THR HA H 57 4.538 4.714 -0.176 1
1 649 . 9 1 1 A 60 60 THR C C 57 173.113 174.987 -1.874 1
1 650 . 9 1 1 A 60 60 THR CA C 57 58.619 59.523 -0.904 1
1 651 . 9 1 1 A 60 60 THR CB C 57 72.972 72.720 0.252 1
1 653 . 9 1 1 A 60 60 THR N N 57 102.317 110.599 -8.282 1
1 654 . 9 1 1 A 61 61 GLN H H 58 7.590 7.972 -0.382 1
1 655 . 9 1 1 A 61 61 GLN HA H 58 2.307 3.286 -0.979 1
1 662 . 9 1 1 A 61 61 GLN C C 58 177.713 177.235 0.478 1
1 663 . 9 1 1 A 61 61 GLN CA C 58 58.692 58.806 -0.114 1
1 664 . 9 1 1 A 61 61 GLN CB C 58 27.689 27.562 0.127 1
1 666 . 9 1 1 A 61 61 GLN N N 58 122.133 120.975 1.158 1
1 668 . 9 1 1 A 62 62 GLU H H 59 8.587 8.159 0.428 1
1 669 . 9 1 1 A 62 62 GLU HA H 59 3.673 3.834 -0.161 1
1 674 . 9 1 1 A 62 62 GLU C C 59 179.337 179.305 0.032 1
1 675 . 9 1 1 A 62 62 GLU CA C 59 59.847 59.236 0.611 1
1 676 . 9 1 1 A 62 62 GLU CB C 59 28.578 29.050 -0.472 1
1 678 . 9 1 1 A 62 62 GLU N N 59 117.069 118.152 -1.083 1
1 679 . 9 1 1 A 63 63 GLN H H 60 7.671 7.399 0.272 1
1 680 . 9 1 1 A 63 63 GLN HA H 60 3.812 3.910 -0.098 1
1 687 . 9 1 1 A 63 63 GLN C C 60 178.339 177.713 0.626 1
1 688 . 9 1 1 A 63 63 GLN CA C 60 58.411 58.626 -0.215 1
1 689 . 9 1 1 A 63 63 GLN CB C 60 29.308 28.381 0.927 1
1 691 . 9 1 1 A 63 63 GLN N N 60 118.959 118.641 0.318 1
1 693 . 9 1 1 A 64 64 ALA H H 61 6.836 7.455 -0.619 1
1 694 . 9 1 1 A 64 64 ALA HA H 61 1.982 2.921 -0.939 1
1 698 . 9 1 1 A 64 64 ALA C C 61 178.151 179.197 -1.046 1
1 699 . 9 1 1 A 64 64 ALA CA C 61 54.112 54.488 -0.376 1
1 700 . 9 1 1 A 64 64 ALA CB C 61 18.627 18.033 0.594 1
1 701 . 9 1 1 A 64 64 ALA N N 61 123.296 122.375 0.921 1
1 702 . 9 1 1 A 65 65 GLU H H 62 8.014 8.023 -0.009 1
1 703 . 9 1 1 A 65 65 GLU HA H 62 2.853 3.372 -0.519 1
1 708 . 9 1 1 A 65 65 GLU C C 62 177.901 178.676 -0.775 1
1 709 . 9 1 1 A 65 65 GLU CA C 62 60.601 58.821 1.780 1
1 710 . 9 1 1 A 65 65 GLU CB C 62 30.597 28.859 1.738 1
1 712 . 9 1 1 A 65 65 GLU N N 62 115.643 116.364 -0.721 1
1 713 . 9 1 1 A 66 66 ALA H H 63 7.954 7.596 0.358 1
1 714 . 9 1 1 A 66 66 ALA HA H 63 3.812 4.027 -0.215 1
1 718 . 9 1 1 A 66 66 ALA C C 63 180.245 179.394 0.851 1
1 719 . 9 1 1 A 66 66 ALA CA C 63 54.968 54.725 0.243 1
1 720 . 9 1 1 A 66 66 ALA CB C 63 17.876 18.017 -0.141 1
1 721 . 9 1 1 A 66 66 ALA N N 63 120.250 121.800 -1.550 1
1 722 . 9 1 1 A 67 67 TYR H H 64 7.373 7.357 0.016 1
1 723 . 9 1 1 A 67 67 TYR HA H 64 3.789 4.037 -0.248 1
1 730 . 9 1 1 A 67 67 TYR C C 64 176.680 176.517 0.163 1
1 731 . 9 1 1 A 67 67 TYR CA C 64 61.624 61.620 0.004 1
1 732 . 9 1 1 A 67 67 TYR CB C 64 38.947 38.489 0.458 1
1 735 . 9 1 1 A 67 67 TYR N N 64 119.523 119.940 -0.417 1
1 736 . 9 1 1 A 68 68 ALA H H 65 7.653 7.847 -0.194 1
1 737 . 9 1 1 A 68 68 ALA HA H 65 3.608 3.954 -0.346 1
1 741 . 9 1 1 A 68 68 ALA C C 65 179.650 180.136 -0.486 1
1 742 . 9 1 1 A 68 68 ALA CA C 65 55.407 55.303 0.104 1
1 743 . 9 1 1 A 68 68 ALA CB C 65 18.001 17.883 0.118 1
1 744 . 9 1 1 A 68 68 ALA N N 65 120.416 121.573 -1.157 1
1 745 . 9 1 1 A 69 69 GLN H H 66 8.491 8.232 0.259 1
1 746 . 9 1 1 A 69 69 GLN HA H 66 4.150 3.989 0.161 1
1 753 . 9 1 1 A 69 69 GLN C C 66 180.119 178.373 1.746 1
1 754 . 9 1 1 A 69 69 GLN CA C 66 58.639 58.947 -0.308 1
1 755 . 9 1 1 A 69 69 GLN CB C 66 28.035 28.468 -0.433 1
1 757 . 9 1 1 A 69 69 GLN N N 66 115.832 116.970 -1.138 1
1 759 . 9 1 1 A 70 70 ARG H H 67 7.962 7.604 0.358 1
1 760 . 9 1 1 A 70 70 ARG HA H 67 3.991 4.036 -0.045 1
1 767 . 9 1 1 A 70 70 ARG C C 67 178.370 177.958 0.412 1
1 768 . 9 1 1 A 70 70 ARG CA C 67 58.849 58.940 -0.091 1
1 769 . 9 1 1 A 70 70 ARG CB C 67 29.735 29.612 0.123 1
1 772 . 9 1 1 A 70 70 ARG N N 67 120.213 120.519 -0.306 1
1 773 . 9 1 1 A 71 71 LYS H H 68 7.506 7.227 0.279 1
1 774 . 9 1 1 A 71 71 LYS HA H 68 4.132 4.177 -0.045 1
1 783 . 9 1 1 A 71 71 LYS C C 68 176.712 176.982 -0.270 1
1 784 . 9 1 1 A 71 71 LYS CA C 68 54.781 55.785 -1.004 1
1 785 . 9 1 1 A 71 71 LYS CB C 68 32.447 32.927 -0.480 1
1 789 . 9 1 1 A 71 71 LYS N N 68 115.757 115.856 -0.099 1
1 790 . 9 1 1 A 72 72 GLY H H 69 7.680 7.739 -0.059 1
1 791 . 9 1 1 A 72 72 GLY HA2 H 69 3.887 3.951 -0.064 1
1 792 . 9 1 1 A 72 72 GLY HA3 H 69 3.818 3.960 -0.142 1
1 793 . 9 1 1 A 72 72 GLY C C 69 175.415 174.356 1.059 1
1 794 . 9 1 1 A 72 72 GLY CA C 69 46.621 45.101 1.520 1
1 795 . 9 1 1 A 72 72 GLY N N 69 109.542 105.860 3.682 1
1 796 . 9 1 1 A 73 73 ILE H H 70 8.180 7.433 0.747 1
1 797 . 9 1 1 A 73 73 ILE HA H 70 3.951 4.025 -0.074 1
1 805 . 9 1 1 A 73 73 ILE C C 70 175.835 175.726 0.109 1
1 806 . 9 1 1 A 73 73 ILE CA C 70 60.560 61.132 -0.572 1
1 807 . 9 1 1 A 73 73 ILE CB C 70 40.035 37.745 2.290 1
1 810 . 9 1 1 A 73 73 ILE N N 70 121.234 122.966 -1.732 1
1 811 . 9 1 1 A 74 74 GLU H H 71 8.428 8.529 -0.101 1
1 812 . 9 1 1 A 74 74 GLU HA H 71 4.289 4.346 -0.057 1
1 817 . 9 1 1 A 74 74 GLU C C 71 175.460 176.369 -0.909 1
1 818 . 9 1 1 A 74 74 GLU CA C 71 56.533 56.876 -0.343 1
1 819 . 9 1 1 A 74 74 GLU CB C 71 29.683 29.884 -0.201 1
1 821 . 9 1 1 A 74 74 GLU N N 71 129.096 128.337 0.759 1
1 822 . 9 1 1 A 75 75 TYR H H 72 8.004 8.597 -0.593 1
1 823 . 9 1 1 A 75 75 TYR HA H 72 5.805 5.935 -0.130 1
1 830 . 9 1 1 A 75 75 TYR C C 72 173.332 172.484 0.848 1
1 831 . 9 1 1 A 75 75 TYR CA C 72 55.323 55.704 -0.381 1
1 832 . 9 1 1 A 75 75 TYR CB C 72 42.290 42.259 0.031 1
1 835 . 9 1 1 A 75 75 TYR N N 72 120.850 117.924 2.926 1
1 836 . 9 1 1 A 76 76 ARG H H 73 7.936 8.882 -0.946 1
1 837 . 9 1 1 A 76 76 ARG HA H 73 4.656 4.975 -0.319 1
1 844 . 9 1 1 A 76 76 ARG C C 73 174.302 175.045 -0.743 1
1 845 . 9 1 1 A 76 76 ARG CA C 73 53.883 54.706 -0.823 1
1 846 . 9 1 1 A 76 76 ARG CB C 73 32.856 33.038 -0.182 1
1 849 . 9 1 1 A 76 76 ARG N N 73 117.640 120.853 -3.213 1
1 850 . 9 1 1 A 77 77 VAL H H 74 8.859 8.756 0.103 1
1 851 . 9 1 1 A 77 77 VAL HA H 74 4.885 4.555 0.330 1
1 859 . 9 1 1 A 77 77 VAL C C 74 176.023 175.669 0.354 1
1 860 . 9 1 1 A 77 77 VAL CA C 74 61.540 62.559 -1.019 1
1 861 . 9 1 1 A 77 77 VAL CB C 74 32.377 32.060 0.317 1
1 864 . 9 1 1 A 77 77 VAL N N 74 124.091 126.832 -2.741 1
1 865 . 9 1 1 A 78 78 ILE H H 75 9.282 9.661 -0.379 1
1 866 . 9 1 1 A 78 78 ILE HA H 75 4.297 4.847 -0.550 1
1 876 . 9 1 1 A 78 78 ILE C C 75 175.178 175.599 -0.421 1
1 877 . 9 1 1 A 78 78 ILE CA C 75 59.850 59.976 -0.126 1
1 878 . 9 1 1 A 78 78 ILE CB C 75 37.546 41.604 -4.058 1
1 882 . 9 1 1 A 78 78 ILE N N 75 130.317 128.555 1.762 1
1 883 . 9 1 1 A 79 79 LEU H H 76 8.428 8.812 -0.384 1
1 884 . 9 1 1 A 79 79 LEU HA H 76 4.747 4.745 0.002 1
1 894 . 9 1 1 A 79 79 LEU CA C 76 52.672 53.839 -1.167 1
1 895 . 9 1 1 A 79 79 LEU CB C 76 41.865 41.232 0.633 1
1 899 . 9 1 1 A 79 79 LEU N N 76 128.194 128.394 -0.200 1
1 900 . 9 1 1 A 80 80 PRO HA H 77 4.402 4.597 -0.195 1
1 907 . 9 1 1 A 80 80 PRO C C 77 177.087 176.976 0.111 1
1 908 . 9 1 1 A 80 80 PRO CA C 77 63.104 62.230 0.874 1
1 909 . 9 1 1 A 80 80 PRO CB C 77 32.145 32.742 -0.597 1
1 912 . 9 1 1 A 81 81 LYS H H 78 8.373 8.587 -0.214 1
1 913 . 9 1 1 A 81 81 LYS HA H 78 4.205 3.990 0.215 1
1 922 . 9 1 1 A 81 81 LYS C C 78 174.200 176.877 -2.677 1
1 923 . 9 1 1 A 81 81 LYS CA C 78 57.050 58.380 -1.330 1
1 924 . 9 1 1 A 81 81 LYS CB C 78 32.750 31.827 0.923 1
1 928 . 9 1 1 A 81 81 LYS N N 78 121.644 120.989 0.655 1
1 929 . 9 1 1 A 82 82 GLU H H 79 8.452 8.267 0.185 1
1 930 . 9 1 1 A 82 82 GLU HA H 79 4.216 4.361 -0.145 1
1 935 . 9 1 1 A 82 82 GLU C C 79 176.336 177.078 -0.742 1
1 936 . 9 1 1 A 82 82 GLU CA C 79 56.533 56.185 0.348 1
1 937 . 9 1 1 A 82 82 GLU CB C 79 29.996 29.242 0.754 1
1 939 . 9 1 1 A 82 82 GLU N N 79 121.461 118.262 3.199 1
1 10 . 10 1 1 A 5 5 SER H H 2 8.403 9.003 -0.600 1
1 11 . 10 1 1 A 5 5 SER HA H 2 5.099 5.735 -0.636 1
1 14 . 10 1 1 A 5 5 SER C C 2 173.833 172.969 0.864 1
1 15 . 10 1 1 A 5 5 SER CA C 2 57.556 56.475 1.081 1
1 16 . 10 1 1 A 5 5 SER CB C 2 65.337 65.148 0.189 1
1 17 . 10 1 1 A 5 5 SER N N 2 116.747 119.015 -2.268 1
1 18 . 10 1 1 A 6 6 ALA H H 3 8.552 9.365 -0.813 1
1 19 . 10 1 1 A 6 6 ALA HA H 3 5.040 5.583 -0.543 1
1 23 . 10 1 1 A 6 6 ALA C C 3 176.117 177.058 -0.941 1
1 24 . 10 1 1 A 6 6 ALA CA C 3 51.500 50.453 1.047 1
1 25 . 10 1 1 A 6 6 ALA CB C 3 23.991 21.127 2.864 1
1 26 . 10 1 1 A 6 6 ALA N N 3 123.072 129.041 -5.969 1
1 27 . 10 1 1 A 7 7 LYS H H 4 8.706 9.515 -0.809 1
1 28 . 10 1 1 A 7 7 LYS HA H 4 5.428 5.164 0.264 1
1 37 . 10 1 1 A 7 7 LYS C C 4 174.490 175.571 -1.081 1
1 38 . 10 1 1 A 7 7 LYS CA C 4 54.280 55.441 -1.161 1
1 39 . 10 1 1 A 7 7 LYS CB C 4 36.399 34.571 1.828 1
1 43 . 10 1 1 A 7 7 LYS N N 4 117.868 120.656 -2.788 1
1 44 . 10 1 1 A 8 8 ILE H H 5 8.752 9.130 -0.378 1
1 45 . 10 1 1 A 8 8 ILE HA H 5 5.741 5.184 0.557 1
1 55 . 10 1 1 A 8 8 ILE C C 5 174.552 175.050 -0.498 1
1 56 . 10 1 1 A 8 8 ILE CA C 5 59.953 60.728 -0.775 1
1 57 . 10 1 1 A 8 8 ILE CB C 5 41.115 39.210 1.905 1
1 61 . 10 1 1 A 8 8 ILE N N 5 122.521 126.345 -3.824 1
1 62 . 10 1 1 A 9 9 TYR H H 6 8.980 8.560 0.420 1
1 63 . 10 1 1 A 9 9 TYR HA H 6 5.214 5.721 -0.507 1
1 68 . 10 1 1 A 9 9 TYR C C 6 171.856 172.419 -0.563 1
1 69 . 10 1 1 A 9 9 TYR CA C 6 56.053 56.148 -0.095 1
1 70 . 10 1 1 A 9 9 TYR CB C 6 40.371 41.059 -0.688 1
1 72 . 10 1 1 A 9 9 TYR N N 6 122.495 124.212 -1.717 1
1 73 . 10 1 1 A 10 10 ARG H H 7 8.830 8.598 0.232 1
1 74 . 10 1 1 A 10 10 ARG HA H 7 4.498 4.653 -0.155 1
1 81 . 10 1 1 A 10 10 ARG CA C 7 51.891 52.650 -0.759 1
1 82 . 10 1 1 A 10 10 ARG CB C 7 30.299 31.674 -1.375 1
1 85 . 10 1 1 A 10 10 ARG N N 7 122.632 120.530 2.102 1
1 86 . 10 1 1 A 11 11 PRO HA H 8 4.369 4.706 -0.337 1
1 93 . 10 1 1 A 11 11 PRO C C 8 176.086 177.201 -1.115 1
1 94 . 10 1 1 A 11 11 PRO CA C 8 62.730 62.520 0.210 1
1 95 . 10 1 1 A 11 11 PRO CB C 8 32.364 33.081 -0.717 1
1 98 . 10 1 1 A 12 12 ALA H H 9 8.384 8.508 -0.124 1
1 99 . 10 1 1 A 12 12 ALA HA H 9 4.193 4.051 0.142 1
1 103 . 10 1 1 A 12 12 ALA C C 9 177.948 177.288 0.660 1
1 104 . 10 1 1 A 12 12 ALA CA C 9 52.406 53.850 -1.444 1
1 105 . 10 1 1 A 12 12 ALA CB C 9 19.441 18.771 0.670 1
1 106 . 10 1 1 A 12 12 ALA N N 9 124.348 123.096 1.252 1
1 107 . 10 1 1 A 13 13 LYS H H 10 8.242 7.609 0.633 1
1 108 . 10 1 1 A 13 13 LYS HA H 10 4.289 4.698 -0.409 1
1 117 . 10 1 1 A 13 13 LYS C C 10 176.555 175.991 0.564 1
1 118 . 10 1 1 A 13 13 LYS CA C 10 56.345 55.063 1.282 1
1 119 . 10 1 1 A 13 13 LYS CB C 10 33.052 34.170 -1.118 1
1 123 . 10 1 1 A 13 13 LYS N N 10 120.348 116.256 4.092 1
1 124 . 10 1 1 A 14 14 THR H H 11 7.950 8.737 -0.787 1
1 125 . 10 1 1 A 14 14 THR HA H 11 4.320 4.598 -0.278 1
1 130 . 10 1 1 A 14 14 THR C C 11 174.302 175.057 -0.755 1
1 131 . 10 1 1 A 14 14 THR CA C 11 61.603 61.913 -0.310 1
1 132 . 10 1 1 A 14 14 THR CB C 11 69.699 71.076 -1.377 1
1 134 . 10 1 1 A 14 14 THR N N 11 112.991 113.964 -0.973 1
1 135 . 10 1 1 A 15 15 ALA H H 12 8.189 7.950 0.239 1
1 136 . 10 1 1 A 15 15 ALA HA H 12 4.250 3.890 0.360 1
1 140 . 10 1 1 A 15 15 ALA C C 12 177.838 176.358 1.480 1
1 141 . 10 1 1 A 15 15 ALA CA C 12 52.840 52.953 -0.113 1
1 142 . 10 1 1 A 15 15 ALA CB C 12 19.231 17.144 2.087 1
1 143 . 10 1 1 A 15 15 ALA N N 12 125.979 121.949 4.030 1
1 144 . 10 1 1 A 16 16 MET H H 13 8.110 7.654 0.456 1
1 145 . 10 1 1 A 16 16 MET HA H 13 4.374 4.549 -0.175 1
1 150 . 10 1 1 A 16 16 MET C C 13 176.148 175.603 0.545 1
1 151 . 10 1 1 A 16 16 MET CA C 13 55.595 54.039 1.556 1
1 152 . 10 1 1 A 16 16 MET CB C 13 32.625 32.764 -0.139 1
1 154 . 10 1 1 A 16 16 MET N N 13 118.186 116.855 1.331 1
1 155 . 10 1 1 A 17 17 GLN H H 14 8.198 8.675 -0.477 1
1 156 . 10 1 1 A 17 17 GLN HA H 14 4.273 4.899 -0.626 1
1 161 . 10 1 1 A 17 17 GLN C C 14 175.992 174.492 1.500 1
1 162 . 10 1 1 A 17 17 GLN CA C 14 56.032 54.799 1.233 1
1 163 . 10 1 1 A 17 17 GLN CB C 14 29.371 29.967 -0.596 1
1 165 . 10 1 1 A 17 17 GLN N N 14 121.811 123.541 -1.730 1
1 166 . 10 1 1 A 18 18 SER H H 15 8.275 8.519 -0.244 1
1 167 . 10 1 1 A 18 18 SER HA H 15 4.379 4.878 -0.499 1
1 170 . 10 1 1 A 18 18 SER C C 15 175.053 173.962 1.091 1
1 171 . 10 1 1 A 18 18 SER CA C 15 58.536 56.931 1.605 1
1 172 . 10 1 1 A 18 18 SER CB C 15 63.856 64.664 -0.808 1
1 173 . 10 1 1 A 18 18 SER N N 15 116.768 119.170 -2.402 1
1 174 . 10 1 1 A 19 19 GLY H H 16 8.430 9.166 -0.736 1
1 175 . 10 1 1 A 19 19 GLY HA2 H 16 4.031 3.827 0.204 1
1 176 . 10 1 1 A 19 19 GLY HA3 H 16 3.906 3.827 0.079 1
1 177 . 10 1 1 A 19 19 GLY C C 16 174.490 175.692 -1.202 1
1 178 . 10 1 1 A 19 19 GLY CA C 16 45.580 47.066 -1.486 1
1 179 . 10 1 1 A 19 19 GLY N N 16 111.050 113.459 -2.409 1
1 180 . 10 1 1 A 20 20 THR H H 17 7.950 7.585 0.365 1
1 181 . 10 1 1 A 20 20 THR HA H 17 4.289 4.215 0.074 1
1 185 . 10 1 1 A 20 20 THR C C 17 174.427 173.982 0.445 1
1 186 . 10 1 1 A 20 20 THR CA C 17 61.477 64.341 -2.864 1
1 188 . 10 1 1 A 20 20 THR N N 17 112.991 116.618 -3.627 1
1 189 . 10 1 1 A 21 21 ALA H H 18 8.247 7.714 0.533 1
1 190 . 10 1 1 A 21 21 ALA N N 18 125.213 122.334 2.879 1
1 191 . 10 1 1 A 22 22 LYS HA H 19 4.265 4.288 -0.023 1
1 200 . 10 1 1 A 22 22 LYS C C 19 176.774 178.398 -1.624 1
1 201 . 10 1 1 A 22 22 LYS CA C 19 56.596 56.975 -0.379 1
1 202 . 10 1 1 A 22 22 LYS CB C 19 33.126 32.690 0.436 1
1 206 . 10 1 1 A 23 23 THR H H 20 8.004 8.507 -0.503 1
1 207 . 10 1 1 A 23 23 THR HA H 20 4.333 4.127 0.206 1
1 212 . 10 1 1 A 23 23 THR C C 20 174.083 174.711 -0.628 1
1 213 . 10 1 1 A 23 23 THR CA C 20 61.682 65.085 -3.403 1
1 214 . 10 1 1 A 23 23 THR CB C 20 69.908 68.743 1.165 1
1 216 . 10 1 1 A 23 23 THR N N 20 113.978 116.842 -2.864 1
1 217 . 10 1 1 A 24 24 ASN H H 21 8.289 7.858 0.431 1
1 218 . 10 1 1 A 24 24 ASN HA H 21 4.689 5.753 -1.064 1
1 223 . 10 1 1 A 24 24 ASN C C 21 174.177 173.015 1.162 1
1 224 . 10 1 1 A 24 24 ASN CA C 21 52.966 51.985 0.981 1
1 225 . 10 1 1 A 24 24 ASN CB C 21 38.404 41.201 -2.797 1
1 226 . 10 1 1 A 24 24 ASN N N 21 118.085 117.792 0.293 1
1 228 . 10 1 1 A 25 25 VAL H H 22 7.381 8.881 -1.500 1
1 229 . 10 1 1 A 25 25 VAL HA H 22 4.336 5.011 -0.675 1
1 237 . 10 1 1 A 25 25 VAL C C 22 174.271 174.609 -0.338 1
1 238 . 10 1 1 A 25 25 VAL CA C 22 61.540 59.566 1.974 1
1 239 . 10 1 1 A 25 25 VAL CB C 22 33.771 35.379 -1.608 1
1 242 . 10 1 1 A 25 25 VAL N N 22 115.156 122.086 -6.930 1
1 243 . 10 1 1 A 26 26 TRP H H 23 8.581 8.597 -0.016 1
1 244 . 10 1 1 A 26 26 TRP HA H 23 4.430 4.896 -0.466 1
1 253 . 10 1 1 A 26 26 TRP C C 23 174.803 176.233 -1.430 1
1 254 . 10 1 1 A 26 26 TRP CA C 23 56.721 57.482 -0.761 1
1 255 . 10 1 1 A 26 26 TRP CB C 23 30.651 29.887 0.764 1
1 261 . 10 1 1 A 26 26 TRP N N 23 120.570 126.086 -5.516 1
1 263 . 10 1 1 A 27 27 VAL H H 24 9.122 8.799 0.323 1
1 264 . 10 1 1 A 27 27 VAL HA H 24 4.774 4.599 0.175 1
1 272 . 10 1 1 A 27 27 VAL C C 24 173.739 173.990 -0.251 1
1 273 . 10 1 1 A 27 27 VAL CA C 24 60.101 61.427 -1.326 1
1 274 . 10 1 1 A 27 27 VAL CB C 24 34.726 33.310 1.416 1
1 277 . 10 1 1 A 27 27 VAL N N 24 121.265 123.650 -2.385 1
1 278 . 10 1 1 A 28 28 LEU H H 25 8.713 9.057 -0.344 1
1 279 . 10 1 1 A 28 28 LEU HA H 25 5.126 5.312 -0.186 1
1 288 . 10 1 1 A 28 28 LEU C C 25 174.177 175.199 -1.022 1
1 289 . 10 1 1 A 28 28 LEU CA C 25 53.863 53.523 0.340 1
1 290 . 10 1 1 A 28 28 LEU CB C 25 46.227 44.691 1.536 1
1 293 . 10 1 1 A 28 28 LEU N N 25 125.972 129.773 -3.801 1
1 294 . 10 1 1 A 29 29 GLU H H 26 9.283 9.053 0.230 1
1 295 . 10 1 1 A 29 29 GLU HA H 26 5.353 5.386 -0.033 1
1 300 . 10 1 1 A 29 29 GLU C C 26 175.867 176.014 -0.147 1
1 301 . 10 1 1 A 29 29 GLU CA C 26 53.883 54.998 -1.115 1
1 302 . 10 1 1 A 29 29 GLU CB C 26 34.594 32.917 1.677 1
1 304 . 10 1 1 A 29 29 GLU N N 26 127.083 126.651 0.432 1
1 305 . 10 1 1 A 30 30 PHE H H 27 8.761 8.355 0.406 1
1 306 . 10 1 1 A 30 30 PHE HA H 27 4.797 5.424 -0.627 1
1 313 . 10 1 1 A 30 30 PHE C C 27 174.959 172.402 2.557 1
1 314 . 10 1 1 A 30 30 PHE CA C 27 58.160 55.501 2.659 1
1 315 . 10 1 1 A 30 30 PHE CB C 27 40.218 42.190 -1.972 1
1 318 . 10 1 1 A 30 30 PHE N N 27 125.378 118.781 6.597 1
1 319 . 10 1 1 A 31 31 ASP H H 28 8.705 8.355 0.350 1
1 320 . 10 1 1 A 31 31 ASP HA H 28 4.735 4.634 0.101 1
1 323 . 10 1 1 A 31 31 ASP C C 28 175.898 175.719 0.179 1
1 324 . 10 1 1 A 31 31 ASP CA C 28 54.468 54.302 0.166 1
1 325 . 10 1 1 A 31 31 ASP CB C 28 41.529 41.169 0.360 1
1 326 . 10 1 1 A 31 31 ASP N N 28 121.546 121.540 0.006 1
1 327 . 10 1 1 A 32 32 ALA H H 29 8.527 8.654 -0.127 1
1 328 . 10 1 1 A 32 32 ALA HA H 29 4.400 4.594 -0.194 1
1 332 . 10 1 1 A 32 32 ALA C C 29 177.150 179.513 -2.363 1
1 333 . 10 1 1 A 32 32 ALA CA C 29 52.027 53.188 -1.161 1
1 334 . 10 1 1 A 32 32 ALA CB C 29 20.212 19.437 0.775 1
1 335 . 10 1 1 A 32 32 ALA N N 29 124.632 129.035 -4.403 1
1 336 . 10 1 1 A 33 33 GLU H H 30 8.481 9.125 -0.644 1
1 337 . 10 1 1 A 33 33 GLU HA H 30 4.281 4.228 0.053 1
1 342 . 10 1 1 A 33 33 GLU C C 30 176.336 175.948 0.388 1
1 343 . 10 1 1 A 33 33 GLU CA C 30 56.309 57.773 -1.464 1
1 344 . 10 1 1 A 33 33 GLU CB C 30 30.309 28.823 1.486 1
1 346 . 10 1 1 A 33 33 GLU N N 30 120.547 122.595 -2.048 1
1 347 . 10 1 1 A 34 34 VAL H H 31 8.140 7.547 0.593 1
1 348 . 10 1 1 A 34 34 VAL HA H 31 4.332 4.443 -0.111 1
1 353 . 10 1 1 A 34 34 VAL CA C 31 60.006 60.086 -0.080 1
1 354 . 10 1 1 A 34 34 VAL CB C 31 32.620 33.197 -0.577 1
1 356 . 10 1 1 A 34 34 VAL N N 31 122.541 121.948 0.593 1
1 357 . 10 1 1 A 35 35 PRO HA H 32 4.343 4.809 -0.466 1
1 364 . 10 1 1 A 35 35 PRO C C 32 176.649 176.903 -0.254 1
1 365 . 10 1 1 A 35 35 PRO CA C 32 63.167 62.208 0.959 1
1 366 . 10 1 1 A 35 35 PRO CB C 32 31.999 33.218 -1.219 1
1 369 . 10 1 1 A 36 36 ARG H H 33 8.282 8.663 -0.381 1
1 370 . 10 1 1 A 36 36 ARG HA H 33 4.268 4.198 0.070 1
1 377 . 10 1 1 A 36 36 ARG C C 33 176.148 176.639 -0.491 1
1 378 . 10 1 1 A 36 36 ARG CA C 33 55.845 58.233 -2.388 1
1 379 . 10 1 1 A 36 36 ARG CB C 33 31.061 29.486 1.575 1
1 382 . 10 1 1 A 36 36 ARG N N 33 121.352 119.140 2.212 1
1 383 . 10 1 1 A 37 37 LYS H H 34 8.256 7.586 0.670 1
1 384 . 10 1 1 A 37 37 LYS HA H 34 4.265 4.478 -0.213 1
1 391 . 10 1 1 A 37 37 LYS C C 34 176.054 175.257 0.797 1
1 392 . 10 1 1 A 37 37 LYS CA C 34 56.220 55.415 0.805 1
1 393 . 10 1 1 A 37 37 LYS CB C 34 33.103 31.100 2.003 1
1 396 . 10 1 1 A 37 37 LYS N N 34 122.458 120.379 2.079 1
1 397 . 10 1 1 A 38 38 ILE H H 35 8.066 8.180 -0.114 1
1 398 . 10 1 1 A 38 38 ILE HA H 35 4.053 4.896 -0.843 1
1 408 . 10 1 1 A 38 38 ILE C C 35 175.397 174.571 0.826 1
1 409 . 10 1 1 A 38 38 ILE CA C 35 60.560 58.703 1.857 1
1 410 . 10 1 1 A 38 38 ILE CB C 35 38.883 40.771 -1.888 1
1 414 . 10 1 1 A 38 38 ILE N N 35 121.996 119.019 2.977 1
1 415 . 10 1 1 A 39 39 ASP H H 36 8.270 8.680 -0.410 1
1 416 . 10 1 1 A 39 39 ASP HA H 36 4.824 4.665 0.159 1
1 419 . 10 1 1 A 39 39 ASP CA C 36 52.138 52.316 -0.178 1
1 420 . 10 1 1 A 39 39 ASP CB C 36 42.009 40.830 1.179 1
1 421 . 10 1 1 A 39 39 ASP N N 36 126.273 122.683 3.590 1
1 422 . 10 1 1 A 40 40 PRO HA H 37 4.295 4.531 -0.236 1
1 429 . 10 1 1 A 40 40 PRO C C 37 177.275 178.024 -0.749 1
1 430 . 10 1 1 A 40 40 PRO CA C 37 63.731 64.158 -0.427 1
1 431 . 10 1 1 A 40 40 PRO CB C 37 32.135 31.842 0.293 1
1 434 . 10 1 1 A 41 41 ILE H H 38 8.115 7.780 0.335 1
1 435 . 10 1 1 A 41 41 ILE HA H 38 4.030 3.896 0.134 1
1 445 . 10 1 1 A 41 41 ILE C C 38 176.993 177.451 -0.458 1
1 446 . 10 1 1 A 41 41 ILE CA C 38 61.790 64.313 -2.523 1
1 447 . 10 1 1 A 41 41 ILE CB C 38 38.132 38.461 -0.329 1
1 451 . 10 1 1 A 41 41 ILE N N 38 119.202 117.518 1.684 1
1 452 . 10 1 1 A 42 42 MET H H 39 8.189 7.894 0.295 1
1 453 . 10 1 1 A 42 42 MET HA H 39 4.351 4.717 -0.366 1
1 458 . 10 1 1 A 42 42 MET C C 39 176.962 175.698 1.264 1
1 459 . 10 1 1 A 42 42 MET CA C 39 55.532 54.517 1.015 1
1 460 . 10 1 1 A 42 42 MET CB C 39 32.249 33.095 -0.846 1
1 462 . 10 1 1 A 42 42 MET N N 39 120.640 115.725 4.915 1
1 463 . 10 1 1 A 43 43 GLY H H 40 8.105 7.665 0.440 1
1 464 . 10 1 1 A 43 43 GLY HA2 H 40 3.931 4.088 -0.157 1
1 465 . 10 1 1 A 43 43 GLY HA3 H 40 3.740 4.104 -0.364 1
1 466 . 10 1 1 A 43 43 GLY C C 40 173.707 173.432 0.275 1
1 467 . 10 1 1 A 43 43 GLY CA C 40 45.455 45.947 -0.492 1
1 468 . 10 1 1 A 43 43 GLY N N 40 108.720 108.312 0.408 1
1 469 . 10 1 1 A 44 44 TYR H H 41 7.984 8.913 -0.929 1
1 470 . 10 1 1 A 44 44 TYR HA H 41 4.609 4.162 0.447 1
1 477 . 10 1 1 A 44 44 TYR C C 41 175.929 174.316 1.613 1
1 478 . 10 1 1 A 44 44 TYR CA C 41 57.847 58.947 -1.100 1
1 479 . 10 1 1 A 44 44 TYR CB C 41 39.008 37.338 1.670 1
1 482 . 10 1 1 A 44 44 TYR N N 41 120.435 120.119 0.316 1
1 483 . 10 1 1 A 45 45 THR H H 42 8.112 7.273 0.839 1
1 484 . 10 1 1 A 45 45 THR HA H 42 4.281 4.347 -0.066 1
1 486 . 10 1 1 A 45 45 THR C C 42 177.024 174.012 3.012 1
1 487 . 10 1 1 A 45 45 THR CA C 42 61.540 59.742 1.798 1
1 488 . 10 1 1 A 45 45 THR CB C 42 70.145 70.412 -0.267 1
1 489 . 10 1 1 A 45 45 THR N N 42 116.187 113.521 2.666 1
1 490 . 10 1 1 A 46 46 SER H H 43 8.447 8.729 -0.282 1
1 491 . 10 1 1 A 46 46 SER N N 43 121.723 120.893 0.830 1
1 492 . 10 1 1 A 47 47 SER HA H 44 4.224 4.407 -0.183 1
1 495 . 10 1 1 A 47 47 SER CA C 44 59.935 58.032 1.903 1
1 496 . 10 1 1 A 47 47 SER CB C 44 64.763 63.398 1.365 1
1 497 . 10 1 1 A 48 48 SER HA H 45 4.365 4.894 -0.529 1
1 500 . 10 1 1 A 48 48 SER C C 45 174.302 172.310 1.992 1
1 501 . 10 1 1 A 48 48 SER CA C 45 58.704 57.269 1.435 1
1 502 . 10 1 1 A 48 48 SER CB C 45 63.564 63.548 0.016 1
1 503 . 10 1 1 A 49 49 ASP H H 46 8.198 8.673 -0.475 1
1 504 . 10 1 1 A 49 49 ASP HA H 46 4.553 4.725 -0.172 1
1 507 . 10 1 1 A 49 49 ASP C C 46 176.211 177.112 -0.901 1
1 508 . 10 1 1 A 49 49 ASP CA C 46 54.572 54.650 -0.078 1
1 509 . 10 1 1 A 49 49 ASP CB C 46 40.971 43.011 -2.040 1
1 510 . 10 1 1 A 49 49 ASP N N 46 121.811 128.391 -6.580 1
1 511 . 10 1 1 A 50 50 MET H H 47 8.089 8.576 -0.487 1
1 512 . 10 1 1 A 50 50 MET HA H 47 4.374 4.322 0.052 1
1 517 . 10 1 1 A 50 50 MET C C 47 176.100 176.558 -0.458 1
1 518 . 10 1 1 A 50 50 MET CA C 47 55.595 58.293 -2.698 1
1 519 . 10 1 1 A 50 50 MET CB C 47 32.625 33.321 -0.696 1
1 521 . 10 1 1 A 50 50 MET N N 47 120.102 122.442 -2.340 1
1 522 . 10 1 1 A 51 51 LYS H H 48 8.198 7.608 0.590 1
1 523 . 10 1 1 A 51 51 LYS HA H 48 4.343 4.695 -0.352 1
1 532 . 10 1 1 A 51 51 LYS C C 48 176.273 174.817 1.456 1
1 533 . 10 1 1 A 51 51 LYS CA C 48 56.158 55.432 0.726 1
1 534 . 10 1 1 A 51 51 LYS CB C 48 33.042 35.671 -2.629 1
1 538 . 10 1 1 A 51 51 LYS N N 48 121.811 112.531 9.280 1
1 539 . 10 1 1 A 52 52 GLN H H 49 8.372 8.482 -0.110 1
1 540 . 10 1 1 A 52 52 GLN HA H 49 4.330 4.532 -0.202 1
1 545 . 10 1 1 A 52 52 GLN C C 49 175.303 175.079 0.224 1
1 546 . 10 1 1 A 52 52 GLN CA C 49 55.180 54.113 1.067 1
1 547 . 10 1 1 A 52 52 GLN CB C 49 30.017 29.259 0.758 1
1 549 . 10 1 1 A 52 52 GLN N N 49 120.928 120.090 0.838 1
1 550 . 10 1 1 A 53 53 GLN H H 50 8.366 8.595 -0.229 1
1 551 . 10 1 1 A 53 53 GLN HA H 50 4.455 5.184 -0.729 1
1 558 . 10 1 1 A 53 53 GLN C C 50 175.616 175.723 -0.107 1
1 559 . 10 1 1 A 53 53 GLN CA C 50 55.825 54.377 1.448 1
1 560 . 10 1 1 A 53 53 GLN CB C 50 29.988 29.929 0.059 1
1 562 . 10 1 1 A 53 53 GLN N N 50 122.169 118.711 3.458 1
1 564 . 10 1 1 A 54 54 VAL H H 51 8.577 8.395 0.182 1
1 565 . 10 1 1 A 54 54 VAL HA H 51 3.999 4.501 -0.502 1
1 570 . 10 1 1 A 54 54 VAL C C 51 174.678 174.923 -0.245 1
1 571 . 10 1 1 A 54 54 VAL CA C 51 62.792 60.743 2.049 1
1 572 . 10 1 1 A 54 54 VAL CB C 51 32.809 33.144 -0.335 1
1 574 . 10 1 1 A 54 54 VAL N N 51 124.540 120.508 4.032 1
1 575 . 10 1 1 A 55 55 LYS H H 52 8.025 8.932 -0.907 1
1 576 . 10 1 1 A 55 55 LYS HA H 52 5.098 5.541 -0.443 1
1 585 . 10 1 1 A 55 55 LYS C C 52 175.397 174.884 0.513 1
1 586 . 10 1 1 A 55 55 LYS CA C 52 55.259 54.391 0.868 1
1 587 . 10 1 1 A 55 55 LYS CB C 52 35.090 35.866 -0.776 1
1 591 . 10 1 1 A 55 55 LYS N N 52 123.649 119.125 4.524 1
1 592 . 10 1 1 A 56 56 LEU H H 53 8.965 9.014 -0.049 1
1 593 . 10 1 1 A 56 56 LEU HA H 53 4.527 5.095 -0.568 1
1 602 . 10 1 1 A 56 56 LEU C C 53 175.272 175.899 -0.627 1
1 603 . 10 1 1 A 56 56 LEU CA C 53 53.385 53.368 0.017 1
1 604 . 10 1 1 A 56 56 LEU CB C 53 45.496 44.459 1.037 1
1 607 . 10 1 1 A 56 56 LEU N N 53 125.718 124.992 0.726 1
1 608 . 10 1 1 A 57 57 THR H H 54 7.647 8.617 -0.970 1
1 609 . 10 1 1 A 57 57 THR HA H 54 5.197 5.535 -0.338 1
1 614 . 10 1 1 A 57 57 THR C C 54 173.426 173.234 0.192 1
1 615 . 10 1 1 A 57 57 THR CA C 54 60.016 60.305 -0.289 1
1 616 . 10 1 1 A 57 57 THR CB C 54 71.074 70.584 0.490 1
1 618 . 10 1 1 A 57 57 THR N N 54 110.955 114.091 -3.136 1
1 619 . 10 1 1 A 58 58 PHE H H 55 9.240 8.761 0.479 1
1 620 . 10 1 1 A 58 58 PHE HA H 55 4.703 4.910 -0.207 1
1 626 . 10 1 1 A 58 58 PHE C C 55 175.225 176.118 -0.893 1
1 627 . 10 1 1 A 58 58 PHE CA C 55 56.721 56.462 0.259 1
1 628 . 10 1 1 A 58 58 PHE CB C 55 44.606 43.889 0.717 1
1 631 . 10 1 1 A 58 58 PHE N N 55 119.380 120.004 -0.624 1
1 632 . 10 1 1 A 59 59 GLU H H 56 8.828 8.938 -0.110 1
1 633 . 10 1 1 A 59 59 GLU HA H 56 4.390 4.326 0.064 1
1 638 . 10 1 1 A 59 59 GLU C C 56 176.868 176.732 0.136 1
1 639 . 10 1 1 A 59 59 GLU CA C 56 58.849 58.862 -0.013 1
1 640 . 10 1 1 A 59 59 GLU CB C 56 30.977 30.699 0.278 1
1 642 . 10 1 1 A 59 59 GLU N N 56 119.209 121.100 -1.891 1
1 643 . 10 1 1 A 60 60 THR H H 57 7.090 7.598 -0.508 1
1 644 . 10 1 1 A 60 60 THR HA H 57 4.538 4.218 0.320 1
1 649 . 10 1 1 A 60 60 THR C C 57 173.113 174.937 -1.824 1
1 650 . 10 1 1 A 60 60 THR CA C 57 58.619 59.385 -0.766 1
1 651 . 10 1 1 A 60 60 THR CB C 57 72.972 72.628 0.344 1
1 653 . 10 1 1 A 60 60 THR N N 57 102.317 110.208 -7.891 1
1 654 . 10 1 1 A 61 61 GLN H H 58 7.590 7.645 -0.055 1
1 655 . 10 1 1 A 61 61 GLN HA H 58 2.307 3.491 -1.184 1
1 662 . 10 1 1 A 61 61 GLN C C 58 177.713 177.321 0.392 1
1 663 . 10 1 1 A 61 61 GLN CA C 58 58.692 58.881 -0.189 1
1 664 . 10 1 1 A 61 61 GLN CB C 58 27.689 27.825 -0.136 1
1 666 . 10 1 1 A 61 61 GLN N N 58 122.133 120.898 1.235 1
1 668 . 10 1 1 A 62 62 GLU H H 59 8.587 8.126 0.461 1
1 669 . 10 1 1 A 62 62 GLU HA H 59 3.673 3.841 -0.168 1
1 674 . 10 1 1 A 62 62 GLU C C 59 179.337 179.235 0.102 1
1 675 . 10 1 1 A 62 62 GLU CA C 59 59.847 59.219 0.628 1
1 676 . 10 1 1 A 62 62 GLU CB C 59 28.578 29.122 -0.544 1
1 678 . 10 1 1 A 62 62 GLU N N 59 117.069 118.450 -1.381 1
1 679 . 10 1 1 A 63 63 GLN H H 60 7.671 7.667 0.004 1
1 680 . 10 1 1 A 63 63 GLN HA H 60 3.812 3.822 -0.010 1
1 687 . 10 1 1 A 63 63 GLN C C 60 178.339 177.377 0.962 1
1 688 . 10 1 1 A 63 63 GLN CA C 60 58.411 58.295 0.116 1
1 689 . 10 1 1 A 63 63 GLN CB C 60 29.308 27.854 1.454 1
1 691 . 10 1 1 A 63 63 GLN N N 60 118.959 118.848 0.111 1
1 693 . 10 1 1 A 64 64 ALA H H 61 6.836 7.537 -0.701 1
1 694 . 10 1 1 A 64 64 ALA HA H 61 1.982 3.626 -1.644 1
1 698 . 10 1 1 A 64 64 ALA C C 61 178.151 179.388 -1.237 1
1 699 . 10 1 1 A 64 64 ALA CA C 61 54.112 54.696 -0.584 1
1 700 . 10 1 1 A 64 64 ALA CB C 61 18.627 18.340 0.287 1
1 701 . 10 1 1 A 64 64 ALA N N 61 123.296 122.385 0.911 1
1 702 . 10 1 1 A 65 65 GLU H H 62 8.014 8.054 -0.040 1
1 703 . 10 1 1 A 65 65 GLU HA H 62 2.853 3.588 -0.735 1
1 708 . 10 1 1 A 65 65 GLU C C 62 177.901 178.644 -0.743 1
1 709 . 10 1 1 A 65 65 GLU CA C 62 60.601 59.061 1.540 1
1 710 . 10 1 1 A 65 65 GLU CB C 62 30.597 28.637 1.960 1
1 712 . 10 1 1 A 65 65 GLU N N 62 115.643 116.435 -0.792 1
1 713 . 10 1 1 A 66 66 ALA H H 63 7.954 7.543 0.411 1
1 714 . 10 1 1 A 66 66 ALA HA H 63 3.812 3.992 -0.180 1
1 718 . 10 1 1 A 66 66 ALA C C 63 180.245 179.569 0.676 1
1 719 . 10 1 1 A 66 66 ALA CA C 63 54.968 54.694 0.274 1
1 720 . 10 1 1 A 66 66 ALA CB C 63 17.876 17.716 0.160 1
1 721 . 10 1 1 A 66 66 ALA N N 63 120.250 121.550 -1.300 1
1 722 . 10 1 1 A 67 67 TYR H H 64 7.373 7.316 0.057 1
1 723 . 10 1 1 A 67 67 TYR HA H 64 3.789 4.043 -0.254 1
1 730 . 10 1 1 A 67 67 TYR C C 64 176.680 176.630 0.050 1
1 731 . 10 1 1 A 67 67 TYR CA C 64 61.624 61.543 0.081 1
1 732 . 10 1 1 A 67 67 TYR CB C 64 38.947 38.472 0.475 1
1 735 . 10 1 1 A 67 67 TYR N N 64 119.523 119.847 -0.324 1
1 736 . 10 1 1 A 68 68 ALA H H 65 7.653 7.680 -0.027 1
1 737 . 10 1 1 A 68 68 ALA HA H 65 3.608 3.837 -0.229 1
1 741 . 10 1 1 A 68 68 ALA C C 65 179.650 179.930 -0.280 1
1 742 . 10 1 1 A 68 68 ALA CA C 65 55.407 55.170 0.237 1
1 743 . 10 1 1 A 68 68 ALA CB C 65 18.001 18.051 -0.050 1
1 744 . 10 1 1 A 68 68 ALA N N 65 120.416 121.534 -1.118 1
1 745 . 10 1 1 A 69 69 GLN H H 66 8.491 8.125 0.366 1
1 746 . 10 1 1 A 69 69 GLN HA H 66 4.150 3.923 0.227 1
1 753 . 10 1 1 A 69 69 GLN C C 66 180.119 178.291 1.828 1
1 754 . 10 1 1 A 69 69 GLN CA C 66 58.639 59.009 -0.370 1
1 755 . 10 1 1 A 69 69 GLN CB C 66 28.035 28.409 -0.374 1
1 757 . 10 1 1 A 69 69 GLN N N 66 115.832 117.191 -1.359 1
1 759 . 10 1 1 A 70 70 ARG H H 67 7.962 7.616 0.346 1
1 760 . 10 1 1 A 70 70 ARG HA H 67 3.991 3.917 0.074 1
1 767 . 10 1 1 A 70 70 ARG C C 67 178.370 178.545 -0.175 1
1 768 . 10 1 1 A 70 70 ARG CA C 67 58.849 59.159 -0.310 1
1 769 . 10 1 1 A 70 70 ARG CB C 67 29.735 29.784 -0.049 1
1 772 . 10 1 1 A 70 70 ARG N N 67 120.213 120.168 0.045 1
1 773 . 10 1 1 A 71 71 LYS H H 68 7.506 7.156 0.350 1
1 774 . 10 1 1 A 71 71 LYS HA H 68 4.132 4.116 0.016 1
1 783 . 10 1 1 A 71 71 LYS C C 68 176.712 176.893 -0.181 1
1 784 . 10 1 1 A 71 71 LYS CA C 68 54.781 56.067 -1.286 1
1 785 . 10 1 1 A 71 71 LYS CB C 68 32.447 32.749 -0.302 1
1 789 . 10 1 1 A 71 71 LYS N N 68 115.757 115.568 0.189 1
1 790 . 10 1 1 A 72 72 GLY H H 69 7.680 7.708 -0.028 1
1 791 . 10 1 1 A 72 72 GLY HA2 H 69 3.887 3.971 -0.084 1
1 792 . 10 1 1 A 72 72 GLY HA3 H 69 3.818 3.977 -0.159 1
1 793 . 10 1 1 A 72 72 GLY C C 69 175.415 174.477 0.938 1
1 794 . 10 1 1 A 72 72 GLY CA C 69 46.621 45.009 1.612 1
1 795 . 10 1 1 A 72 72 GLY N N 69 109.542 105.763 3.779 1
1 796 . 10 1 1 A 73 73 ILE H H 70 8.180 7.444 0.736 1
1 797 . 10 1 1 A 73 73 ILE HA H 70 3.951 4.026 -0.075 1
1 805 . 10 1 1 A 73 73 ILE C C 70 175.835 175.633 0.202 1
1 806 . 10 1 1 A 73 73 ILE CA C 70 60.560 61.070 -0.510 1
1 807 . 10 1 1 A 73 73 ILE CB C 70 40.035 37.685 2.350 1
1 810 . 10 1 1 A 73 73 ILE N N 70 121.234 123.166 -1.932 1
1 811 . 10 1 1 A 74 74 GLU H H 71 8.428 8.560 -0.132 1
1 812 . 10 1 1 A 74 74 GLU HA H 71 4.289 4.337 -0.048 1
1 817 . 10 1 1 A 74 74 GLU C C 71 175.460 176.335 -0.875 1
1 818 . 10 1 1 A 74 74 GLU CA C 71 56.533 56.848 -0.315 1
1 819 . 10 1 1 A 74 74 GLU CB C 71 29.683 29.877 -0.194 1
1 821 . 10 1 1 A 74 74 GLU N N 71 129.096 128.140 0.956 1
1 822 . 10 1 1 A 75 75 TYR H H 72 8.004 8.676 -0.672 1
1 823 . 10 1 1 A 75 75 TYR HA H 72 5.805 5.697 0.108 1
1 830 . 10 1 1 A 75 75 TYR C C 72 173.332 172.664 0.668 1
1 831 . 10 1 1 A 75 75 TYR CA C 72 55.323 55.905 -0.582 1
1 832 . 10 1 1 A 75 75 TYR CB C 72 42.290 41.789 0.501 1
1 835 . 10 1 1 A 75 75 TYR N N 72 120.850 117.571 3.279 1
1 836 . 10 1 1 A 76 76 ARG H H 73 7.936 8.623 -0.687 1
1 837 . 10 1 1 A 76 76 ARG HA H 73 4.656 4.843 -0.187 1
1 844 . 10 1 1 A 76 76 ARG C C 73 174.302 175.314 -1.012 1
1 845 . 10 1 1 A 76 76 ARG CA C 73 53.883 54.931 -1.048 1
1 846 . 10 1 1 A 76 76 ARG CB C 73 32.856 32.436 0.420 1
1 849 . 10 1 1 A 76 76 ARG N N 73 117.640 120.785 -3.145 1
1 850 . 10 1 1 A 77 77 VAL H H 74 8.859 8.845 0.014 1
1 851 . 10 1 1 A 77 77 VAL HA H 74 4.885 4.650 0.235 1
1 859 . 10 1 1 A 77 77 VAL C C 74 176.023 175.479 0.544 1
1 860 . 10 1 1 A 77 77 VAL CA C 74 61.540 62.534 -0.994 1
1 861 . 10 1 1 A 77 77 VAL CB C 74 32.377 31.914 0.463 1
1 864 . 10 1 1 A 77 77 VAL N N 74 124.091 124.636 -0.545 1
1 865 . 10 1 1 A 78 78 ILE H H 75 9.282 9.414 -0.132 1
1 866 . 10 1 1 A 78 78 ILE HA H 75 4.297 4.913 -0.616 1
1 876 . 10 1 1 A 78 78 ILE C C 75 175.178 175.325 -0.147 1
1 877 . 10 1 1 A 78 78 ILE CA C 75 59.850 59.888 -0.038 1
1 878 . 10 1 1 A 78 78 ILE CB C 75 37.546 40.306 -2.760 1
1 882 . 10 1 1 A 78 78 ILE N N 75 130.317 128.490 1.827 1
1 883 . 10 1 1 A 79 79 LEU H H 76 8.428 8.942 -0.514 1
1 884 . 10 1 1 A 79 79 LEU HA H 76 4.747 4.768 -0.021 1
1 894 . 10 1 1 A 79 79 LEU CA C 76 52.672 53.774 -1.102 1
1 895 . 10 1 1 A 79 79 LEU CB C 76 41.865 41.300 0.565 1
1 899 . 10 1 1 A 79 79 LEU N N 76 128.194 129.429 -1.235 1
1 900 . 10 1 1 A 80 80 PRO HA H 77 4.402 4.666 -0.264 1
1 907 . 10 1 1 A 80 80 PRO C C 77 177.087 177.102 -0.015 1
1 908 . 10 1 1 A 80 80 PRO CA C 77 63.104 62.131 0.973 1
1 909 . 10 1 1 A 80 80 PRO CB C 77 32.145 33.038 -0.893 1
1 912 . 10 1 1 A 81 81 LYS H H 78 8.373 8.612 -0.239 1
1 913 . 10 1 1 A 81 81 LYS HA H 78 4.205 4.010 0.195 1
1 922 . 10 1 1 A 81 81 LYS C C 78 174.200 177.248 -3.048 1
1 923 . 10 1 1 A 81 81 LYS CA C 78 57.050 58.851 -1.801 1
1 924 . 10 1 1 A 81 81 LYS CB C 78 32.750 31.773 0.977 1
1 928 . 10 1 1 A 81 81 LYS N N 78 121.644 120.684 0.960 1
1 929 . 10 1 1 A 82 82 GLU H H 79 8.452 8.198 0.254 1
1 930 . 10 1 1 A 82 82 GLU HA H 79 4.216 4.263 -0.047 1
1 935 . 10 1 1 A 82 82 GLU C C 79 176.336 177.024 -0.688 1
1 936 . 10 1 1 A 82 82 GLU CA C 79 56.533 56.642 -0.109 1
1 937 . 10 1 1 A 82 82 GLU CB C 79 29.996 29.039 0.957 1
1 939 . 10 1 1 A 82 82 GLU N N 79 121.461 118.281 3.180 1
1 10 . 11 1 1 A 5 5 SER H H 2 8.403 8.692 -0.289 1
1 11 . 11 1 1 A 5 5 SER HA H 2 5.099 5.958 -0.859 1
1 14 . 11 1 1 A 5 5 SER C C 2 173.833 173.364 0.469 1
1 15 . 11 1 1 A 5 5 SER CA C 2 57.556 57.520 0.036 1
1 16 . 11 1 1 A 5 5 SER CB C 2 65.337 66.510 -1.173 1
1 17 . 11 1 1 A 5 5 SER N N 2 116.747 116.259 0.488 1
1 18 . 11 1 1 A 6 6 ALA H H 3 8.552 8.606 -0.054 1
1 19 . 11 1 1 A 6 6 ALA HA H 3 5.040 5.129 -0.089 1
1 23 . 11 1 1 A 6 6 ALA C C 3 176.117 175.914 0.203 1
1 24 . 11 1 1 A 6 6 ALA CA C 3 51.500 51.627 -0.127 1
1 25 . 11 1 1 A 6 6 ALA CB C 3 23.991 23.580 0.411 1
1 26 . 11 1 1 A 6 6 ALA N N 3 123.072 123.359 -0.287 1
1 27 . 11 1 1 A 7 7 LYS H H 4 8.706 8.891 -0.185 1
1 28 . 11 1 1 A 7 7 LYS HA H 4 5.428 5.343 0.085 1
1 37 . 11 1 1 A 7 7 LYS C C 4 174.490 175.324 -0.834 1
1 38 . 11 1 1 A 7 7 LYS CA C 4 54.280 55.162 -0.882 1
1 39 . 11 1 1 A 7 7 LYS CB C 4 36.399 35.334 1.065 1
1 43 . 11 1 1 A 7 7 LYS N N 4 117.868 117.215 0.653 1
1 44 . 11 1 1 A 8 8 ILE H H 5 8.752 9.133 -0.381 1
1 45 . 11 1 1 A 8 8 ILE HA H 5 5.741 5.182 0.559 1
1 55 . 11 1 1 A 8 8 ILE C C 5 174.552 175.050 -0.498 1
1 56 . 11 1 1 A 8 8 ILE CA C 5 59.953 60.729 -0.776 1
1 57 . 11 1 1 A 8 8 ILE CB C 5 41.115 39.328 1.787 1
1 61 . 11 1 1 A 8 8 ILE N N 5 122.521 126.354 -3.833 1
1 62 . 11 1 1 A 9 9 TYR H H 6 8.980 8.755 0.225 1
1 63 . 11 1 1 A 9 9 TYR HA H 6 5.214 5.632 -0.418 1
1 68 . 11 1 1 A 9 9 TYR C C 6 171.856 172.507 -0.651 1
1 69 . 11 1 1 A 9 9 TYR CA C 6 56.053 55.888 0.165 1
1 70 . 11 1 1 A 9 9 TYR CB C 6 40.371 41.450 -1.079 1
1 72 . 11 1 1 A 9 9 TYR N N 6 122.495 124.586 -2.091 1
1 73 . 11 1 1 A 10 10 ARG H H 7 8.830 8.565 0.265 1
1 74 . 11 1 1 A 10 10 ARG HA H 7 4.498 4.691 -0.193 1
1 81 . 11 1 1 A 10 10 ARG CA C 7 51.891 52.838 -0.947 1
1 82 . 11 1 1 A 10 10 ARG CB C 7 30.299 31.701 -1.402 1
1 85 . 11 1 1 A 10 10 ARG N N 7 122.632 120.412 2.220 1
1 86 . 11 1 1 A 11 11 PRO HA H 8 4.369 4.820 -0.451 1
1 93 . 11 1 1 A 11 11 PRO C C 8 176.086 175.884 0.202 1
1 94 . 11 1 1 A 11 11 PRO CA C 8 62.730 62.467 0.263 1
1 95 . 11 1 1 A 11 11 PRO CB C 8 32.364 33.352 -0.988 1
1 98 . 11 1 1 A 12 12 ALA H H 9 8.384 8.425 -0.041 1
1 99 . 11 1 1 A 12 12 ALA HA H 9 4.193 4.250 -0.057 1
1 103 . 11 1 1 A 12 12 ALA C C 9 177.948 177.161 0.787 1
1 104 . 11 1 1 A 12 12 ALA CA C 9 52.406 53.440 -1.034 1
1 105 . 11 1 1 A 12 12 ALA CB C 9 19.441 19.938 -0.497 1
1 106 . 11 1 1 A 12 12 ALA N N 9 124.348 121.072 3.276 1
1 107 . 11 1 1 A 13 13 LYS H H 10 8.242 7.648 0.594 1
1 108 . 11 1 1 A 13 13 LYS HA H 10 4.289 4.868 -0.579 1
1 117 . 11 1 1 A 13 13 LYS C C 10 176.555 174.482 2.073 1
1 118 . 11 1 1 A 13 13 LYS CA C 10 56.345 55.065 1.280 1
1 119 . 11 1 1 A 13 13 LYS CB C 10 33.052 35.756 -2.704 1
1 123 . 11 1 1 A 13 13 LYS N N 10 120.348 114.799 5.549 1
1 124 . 11 1 1 A 14 14 THR H H 11 7.950 8.659 -0.709 1
1 125 . 11 1 1 A 14 14 THR HA H 11 4.320 4.687 -0.367 1
1 130 . 11 1 1 A 14 14 THR C C 11 174.302 172.955 1.347 1
1 131 . 11 1 1 A 14 14 THR CA C 11 61.603 59.910 1.693 1
1 132 . 11 1 1 A 14 14 THR CB C 11 69.699 70.374 -0.675 1
1 134 . 11 1 1 A 14 14 THR N N 11 112.991 114.510 -1.519 1
1 135 . 11 1 1 A 15 15 ALA H H 12 8.189 8.342 -0.153 1
1 136 . 11 1 1 A 15 15 ALA HA H 12 4.250 4.198 0.052 1
1 140 . 11 1 1 A 15 15 ALA C C 12 177.838 176.989 0.849 1
1 141 . 11 1 1 A 15 15 ALA CA C 12 52.840 52.522 0.318 1
1 142 . 11 1 1 A 15 15 ALA CB C 12 19.231 19.102 0.129 1
1 143 . 11 1 1 A 15 15 ALA N N 12 125.979 126.063 -0.084 1
1 144 . 11 1 1 A 16 16 MET H H 13 8.110 8.733 -0.623 1
1 145 . 11 1 1 A 16 16 MET HA H 13 4.374 5.034 -0.660 1
1 150 . 11 1 1 A 16 16 MET C C 13 176.148 175.755 0.393 1
1 151 . 11 1 1 A 16 16 MET CA C 13 55.595 54.328 1.267 1
1 152 . 11 1 1 A 16 16 MET CB C 13 32.625 31.071 1.554 1
1 154 . 11 1 1 A 16 16 MET N N 13 118.186 125.126 -6.940 1
1 155 . 11 1 1 A 17 17 GLN H H 14 8.198 8.641 -0.443 1
1 156 . 11 1 1 A 17 17 GLN HA H 14 4.273 4.561 -0.288 1
1 161 . 11 1 1 A 17 17 GLN C C 14 175.992 175.867 0.125 1
1 162 . 11 1 1 A 17 17 GLN CA C 14 56.032 57.029 -0.997 1
1 163 . 11 1 1 A 17 17 GLN CB C 14 29.371 30.580 -1.209 1
1 165 . 11 1 1 A 17 17 GLN N N 14 121.811 124.776 -2.965 1
1 166 . 11 1 1 A 18 18 SER H H 15 8.275 8.030 0.245 1
1 167 . 11 1 1 A 18 18 SER HA H 15 4.379 4.839 -0.460 1
1 170 . 11 1 1 A 18 18 SER C C 15 175.053 174.388 0.665 1
1 171 . 11 1 1 A 18 18 SER CA C 15 58.536 56.790 1.746 1
1 172 . 11 1 1 A 18 18 SER CB C 15 63.856 64.916 -1.060 1
1 173 . 11 1 1 A 18 18 SER N N 15 116.768 111.769 4.999 1
1 174 . 11 1 1 A 19 19 GLY H H 16 8.430 8.949 -0.519 1
1 175 . 11 1 1 A 19 19 GLY HA2 H 16 4.031 3.860 0.171 1
1 176 . 11 1 1 A 19 19 GLY HA3 H 16 3.906 3.861 0.045 1
1 177 . 11 1 1 A 19 19 GLY C C 16 174.490 174.875 -0.385 1
1 178 . 11 1 1 A 19 19 GLY CA C 16 45.580 47.024 -1.444 1
1 179 . 11 1 1 A 19 19 GLY N N 16 111.050 113.985 -2.935 1
1 180 . 11 1 1 A 20 20 THR H H 17 7.950 8.139 -0.189 1
1 181 . 11 1 1 A 20 20 THR HA H 17 4.289 4.015 0.274 1
1 185 . 11 1 1 A 20 20 THR C C 17 174.427 173.303 1.124 1
1 186 . 11 1 1 A 20 20 THR CA C 17 61.477 63.225 -1.748 1
1 188 . 11 1 1 A 20 20 THR N N 17 112.991 115.956 -2.965 1
1 189 . 11 1 1 A 21 21 ALA H H 18 8.247 7.578 0.669 1
1 190 . 11 1 1 A 21 21 ALA N N 18 125.213 122.611 2.602 1
1 191 . 11 1 1 A 22 22 LYS HA H 19 4.265 4.204 0.061 1
1 200 . 11 1 1 A 22 22 LYS C C 19 176.774 176.793 -0.019 1
1 201 . 11 1 1 A 22 22 LYS CA C 19 56.596 59.161 -2.565 1
1 202 . 11 1 1 A 22 22 LYS CB C 19 33.126 32.982 0.144 1
1 206 . 11 1 1 A 23 23 THR H H 20 8.004 7.731 0.273 1
1 207 . 11 1 1 A 23 23 THR HA H 20 4.333 4.669 -0.336 1
1 212 . 11 1 1 A 23 23 THR C C 20 174.083 173.791 0.292 1
1 213 . 11 1 1 A 23 23 THR CA C 20 61.682 61.890 -0.208 1
1 214 . 11 1 1 A 23 23 THR CB C 20 69.908 69.951 -0.043 1
1 216 . 11 1 1 A 23 23 THR N N 20 113.978 112.005 1.973 1
1 217 . 11 1 1 A 24 24 ASN H H 21 8.289 8.748 -0.459 1
1 218 . 11 1 1 A 24 24 ASN HA H 21 4.689 5.262 -0.573 1
1 223 . 11 1 1 A 24 24 ASN C C 21 174.177 173.955 0.222 1
1 224 . 11 1 1 A 24 24 ASN CA C 21 52.966 52.086 0.880 1
1 225 . 11 1 1 A 24 24 ASN CB C 21 38.404 42.740 -4.336 1
1 226 . 11 1 1 A 24 24 ASN N N 21 118.085 126.707 -8.622 1
1 228 . 11 1 1 A 25 25 VAL H H 22 7.381 8.517 -1.136 1
1 229 . 11 1 1 A 25 25 VAL HA H 22 4.336 5.019 -0.683 1
1 237 . 11 1 1 A 25 25 VAL C C 22 174.271 175.113 -0.842 1
1 238 . 11 1 1 A 25 25 VAL CA C 22 61.540 59.846 1.694 1
1 239 . 11 1 1 A 25 25 VAL CB C 22 33.771 34.359 -0.588 1
1 242 . 11 1 1 A 25 25 VAL N N 22 115.156 116.372 -1.216 1
1 243 . 11 1 1 A 26 26 TRP H H 23 8.581 9.169 -0.588 1
1 244 . 11 1 1 A 26 26 TRP HA H 23 4.430 5.124 -0.694 1
1 253 . 11 1 1 A 26 26 TRP C C 23 174.803 175.590 -0.787 1
1 254 . 11 1 1 A 26 26 TRP CA C 23 56.721 56.590 0.131 1
1 255 . 11 1 1 A 26 26 TRP CB C 23 30.651 30.700 -0.049 1
1 261 . 11 1 1 A 26 26 TRP N N 23 120.570 122.653 -2.083 1
1 263 . 11 1 1 A 27 27 VAL H H 24 9.122 8.854 0.268 1
1 264 . 11 1 1 A 27 27 VAL HA H 24 4.774 4.698 0.076 1
1 272 . 11 1 1 A 27 27 VAL C C 24 173.739 173.935 -0.196 1
1 273 . 11 1 1 A 27 27 VAL CA C 24 60.101 61.420 -1.319 1
1 274 . 11 1 1 A 27 27 VAL CB C 24 34.726 33.138 1.588 1
1 277 . 11 1 1 A 27 27 VAL N N 24 121.265 123.661 -2.396 1
1 278 . 11 1 1 A 28 28 LEU H H 25 8.713 9.058 -0.345 1
1 279 . 11 1 1 A 28 28 LEU HA H 25 5.126 5.182 -0.056 1
1 288 . 11 1 1 A 28 28 LEU C C 25 174.177 174.535 -0.358 1
1 289 . 11 1 1 A 28 28 LEU CA C 25 53.863 53.431 0.432 1
1 290 . 11 1 1 A 28 28 LEU CB C 25 46.227 44.903 1.324 1
1 293 . 11 1 1 A 28 28 LEU N N 25 125.972 129.907 -3.935 1
1 294 . 11 1 1 A 29 29 GLU H H 26 9.283 9.140 0.143 1
1 295 . 11 1 1 A 29 29 GLU HA H 26 5.353 5.507 -0.154 1
1 300 . 11 1 1 A 29 29 GLU C C 26 175.867 175.649 0.218 1
1 301 . 11 1 1 A 29 29 GLU CA C 26 53.883 55.040 -1.157 1
1 302 . 11 1 1 A 29 29 GLU CB C 26 34.594 32.648 1.946 1
1 304 . 11 1 1 A 29 29 GLU N N 26 127.083 128.276 -1.193 1
1 305 . 11 1 1 A 30 30 PHE H H 27 8.761 8.835 -0.074 1
1 306 . 11 1 1 A 30 30 PHE HA H 27 4.797 5.358 -0.561 1
1 313 . 11 1 1 A 30 30 PHE C C 27 174.959 172.406 2.553 1
1 314 . 11 1 1 A 30 30 PHE CA C 27 58.160 55.672 2.488 1
1 315 . 11 1 1 A 30 30 PHE CB C 27 40.218 42.033 -1.815 1
1 318 . 11 1 1 A 30 30 PHE N N 27 125.378 121.463 3.915 1
1 319 . 11 1 1 A 31 31 ASP H H 28 8.705 8.403 0.302 1
1 320 . 11 1 1 A 31 31 ASP HA H 28 4.735 4.568 0.167 1
1 323 . 11 1 1 A 31 31 ASP C C 28 175.898 175.746 0.152 1
1 324 . 11 1 1 A 31 31 ASP CA C 28 54.468 54.236 0.232 1
1 325 . 11 1 1 A 31 31 ASP CB C 28 41.529 41.245 0.284 1
1 326 . 11 1 1 A 31 31 ASP N N 28 121.546 120.981 0.565 1
1 327 . 11 1 1 A 32 32 ALA H H 29 8.527 8.475 0.052 1
1 328 . 11 1 1 A 32 32 ALA HA H 29 4.400 3.895 0.505 1
1 332 . 11 1 1 A 32 32 ALA C C 29 177.150 179.132 -1.982 1
1 333 . 11 1 1 A 32 32 ALA CA C 29 52.027 52.663 -0.636 1
1 334 . 11 1 1 A 32 32 ALA CB C 29 20.212 18.927 1.285 1
1 335 . 11 1 1 A 32 32 ALA N N 29 124.632 128.829 -4.197 1
1 336 . 11 1 1 A 33 33 GLU H H 30 8.481 9.080 -0.599 1
1 337 . 11 1 1 A 33 33 GLU HA H 30 4.281 4.518 -0.237 1
1 342 . 11 1 1 A 33 33 GLU C C 30 176.336 176.574 -0.238 1
1 343 . 11 1 1 A 33 33 GLU CA C 30 56.309 56.339 -0.030 1
1 344 . 11 1 1 A 33 33 GLU CB C 30 30.309 28.980 1.329 1
1 346 . 11 1 1 A 33 33 GLU N N 30 120.547 119.844 0.703 1
1 347 . 11 1 1 A 34 34 VAL H H 31 8.140 7.407 0.733 1
1 348 . 11 1 1 A 34 34 VAL HA H 31 4.332 4.266 0.066 1
1 353 . 11 1 1 A 34 34 VAL CA C 31 60.006 60.593 -0.587 1
1 354 . 11 1 1 A 34 34 VAL CB C 31 32.620 32.641 -0.021 1
1 356 . 11 1 1 A 34 34 VAL N N 31 122.541 121.647 0.894 1
1 357 . 11 1 1 A 35 35 PRO HA H 32 4.343 4.791 -0.448 1
1 364 . 11 1 1 A 35 35 PRO C C 32 176.649 177.044 -0.395 1
1 365 . 11 1 1 A 35 35 PRO CA C 32 63.167 62.286 0.881 1
1 366 . 11 1 1 A 35 35 PRO CB C 32 31.999 33.165 -1.166 1
1 369 . 11 1 1 A 36 36 ARG H H 33 8.282 8.667 -0.385 1
1 370 . 11 1 1 A 36 36 ARG HA H 33 4.268 3.981 0.287 1
1 377 . 11 1 1 A 36 36 ARG C C 33 176.148 177.136 -0.988 1
1 378 . 11 1 1 A 36 36 ARG CA C 33 55.845 58.319 -2.474 1
1 379 . 11 1 1 A 36 36 ARG CB C 33 31.061 29.471 1.590 1
1 382 . 11 1 1 A 36 36 ARG N N 33 121.352 120.398 0.954 1
1 383 . 11 1 1 A 37 37 LYS H H 34 8.256 7.706 0.550 1
1 384 . 11 1 1 A 37 37 LYS HA H 34 4.265 4.347 -0.082 1
1 391 . 11 1 1 A 37 37 LYS C C 34 176.054 176.068 -0.014 1
1 392 . 11 1 1 A 37 37 LYS CA C 34 56.220 56.448 -0.228 1
1 393 . 11 1 1 A 37 37 LYS CB C 34 33.103 32.586 0.517 1
1 396 . 11 1 1 A 37 37 LYS N N 34 122.458 117.314 5.144 1
1 397 . 11 1 1 A 38 38 ILE H H 35 8.066 7.284 0.782 1
1 398 . 11 1 1 A 38 38 ILE HA H 35 4.053 4.234 -0.181 1
1 408 . 11 1 1 A 38 38 ILE C C 35 175.397 175.209 0.188 1
1 409 . 11 1 1 A 38 38 ILE CA C 35 60.560 61.306 -0.746 1
1 410 . 11 1 1 A 38 38 ILE CB C 35 38.883 38.249 0.634 1
1 414 . 11 1 1 A 38 38 ILE N N 35 121.996 118.205 3.791 1
1 415 . 11 1 1 A 39 39 ASP H H 36 8.270 8.555 -0.285 1
1 416 . 11 1 1 A 39 39 ASP HA H 36 4.824 4.732 0.092 1
1 419 . 11 1 1 A 39 39 ASP CA C 36 52.138 52.108 0.030 1
1 420 . 11 1 1 A 39 39 ASP CB C 36 42.009 42.262 -0.253 1
1 421 . 11 1 1 A 39 39 ASP N N 36 126.273 127.214 -0.941 1
1 422 . 11 1 1 A 40 40 PRO HA H 37 4.295 4.563 -0.268 1
1 429 . 11 1 1 A 40 40 PRO C C 37 177.275 178.481 -1.206 1
1 430 . 11 1 1 A 40 40 PRO CA C 37 63.731 65.348 -1.617 1
1 431 . 11 1 1 A 40 40 PRO CB C 37 32.135 31.936 0.199 1
1 434 . 11 1 1 A 41 41 ILE H H 38 8.115 8.377 -0.262 1
1 435 . 11 1 1 A 41 41 ILE HA H 38 4.030 4.001 0.029 1
1 445 . 11 1 1 A 41 41 ILE C C 38 176.993 175.743 1.250 1
1 446 . 11 1 1 A 41 41 ILE CA C 38 61.790 63.162 -1.372 1
1 447 . 11 1 1 A 41 41 ILE CB C 38 38.132 39.162 -1.030 1
1 451 . 11 1 1 A 41 41 ILE N N 38 119.202 117.111 2.091 1
1 452 . 11 1 1 A 42 42 MET H H 39 8.189 7.742 0.447 1
1 453 . 11 1 1 A 42 42 MET HA H 39 4.351 4.900 -0.549 1
1 458 . 11 1 1 A 42 42 MET C C 39 176.962 176.692 0.270 1
1 459 . 11 1 1 A 42 42 MET CA C 39 55.532 54.476 1.056 1
1 460 . 11 1 1 A 42 42 MET CB C 39 32.249 34.441 -2.192 1
1 462 . 11 1 1 A 42 42 MET N N 39 120.640 119.514 1.126 1
1 463 . 11 1 1 A 43 43 GLY H H 40 8.105 8.362 -0.257 1
1 464 . 11 1 1 A 43 43 GLY HA2 H 40 3.931 4.025 -0.094 1
1 465 . 11 1 1 A 43 43 GLY HA3 H 40 3.740 4.043 -0.303 1
1 466 . 11 1 1 A 43 43 GLY C C 40 173.707 173.942 -0.235 1
1 467 . 11 1 1 A 43 43 GLY CA C 40 45.455 45.485 -0.030 1
1 468 . 11 1 1 A 43 43 GLY N N 40 108.720 112.452 -3.732 1
1 469 . 11 1 1 A 44 44 TYR H H 41 7.984 8.001 -0.017 1
1 470 . 11 1 1 A 44 44 TYR HA H 41 4.609 4.900 -0.291 1
1 477 . 11 1 1 A 44 44 TYR C C 41 175.929 173.959 1.970 1
1 478 . 11 1 1 A 44 44 TYR CA C 41 57.847 56.095 1.752 1
1 479 . 11 1 1 A 44 44 TYR CB C 41 39.008 40.060 -1.052 1
1 482 . 11 1 1 A 44 44 TYR N N 41 120.435 121.870 -1.435 1
1 483 . 11 1 1 A 45 45 THR H H 42 8.112 8.364 -0.252 1
1 484 . 11 1 1 A 45 45 THR HA H 42 4.281 4.803 -0.522 1
1 486 . 11 1 1 A 45 45 THR C C 42 177.024 175.104 1.920 1
1 487 . 11 1 1 A 45 45 THR CA C 42 61.540 59.489 2.051 1
1 488 . 11 1 1 A 45 45 THR CB C 42 70.145 72.371 -2.226 1
1 489 . 11 1 1 A 45 45 THR N N 42 116.187 116.902 -0.715 1
1 490 . 11 1 1 A 46 46 SER H H 43 8.447 8.863 -0.416 1
1 491 . 11 1 1 A 46 46 SER N N 43 121.723 117.653 4.070 1
1 492 . 11 1 1 A 47 47 SER HA H 44 4.224 4.463 -0.239 1
1 495 . 11 1 1 A 47 47 SER CA C 44 59.935 58.534 1.401 1
1 496 . 11 1 1 A 47 47 SER CB C 44 64.763 61.524 3.239 1
1 497 . 11 1 1 A 48 48 SER HA H 45 4.365 4.865 -0.500 1
1 500 . 11 1 1 A 48 48 SER C C 45 174.302 171.733 2.569 1
1 501 . 11 1 1 A 48 48 SER CA C 45 58.704 56.292 2.412 1
1 502 . 11 1 1 A 48 48 SER CB C 45 63.564 64.720 -1.156 1
1 503 . 11 1 1 A 49 49 ASP H H 46 8.198 8.767 -0.569 1
1 504 . 11 1 1 A 49 49 ASP HA H 46 4.553 4.988 -0.435 1
1 507 . 11 1 1 A 49 49 ASP C C 46 176.211 176.648 -0.437 1
1 508 . 11 1 1 A 49 49 ASP CA C 46 54.572 51.845 2.727 1
1 509 . 11 1 1 A 49 49 ASP CB C 46 40.971 43.855 -2.884 1
1 510 . 11 1 1 A 49 49 ASP N N 46 121.811 121.812 -0.001 1
1 511 . 11 1 1 A 50 50 MET H H 47 8.089 8.729 -0.640 1
1 512 . 11 1 1 A 50 50 MET HA H 47 4.374 4.307 0.067 1
1 517 . 11 1 1 A 50 50 MET C C 47 176.100 175.895 0.205 1
1 518 . 11 1 1 A 50 50 MET CA C 47 55.595 58.254 -2.659 1
1 519 . 11 1 1 A 50 50 MET CB C 47 32.625 32.959 -0.334 1
1 521 . 11 1 1 A 50 50 MET N N 47 120.102 122.811 -2.709 1
1 522 . 11 1 1 A 51 51 LYS H H 48 8.198 7.400 0.798 1
1 523 . 11 1 1 A 51 51 LYS HA H 48 4.343 4.717 -0.374 1
1 532 . 11 1 1 A 51 51 LYS C C 48 176.273 175.376 0.897 1
1 533 . 11 1 1 A 51 51 LYS CA C 48 56.158 54.979 1.179 1
1 534 . 11 1 1 A 51 51 LYS CB C 48 33.042 35.846 -2.804 1
1 538 . 11 1 1 A 51 51 LYS N N 48 121.811 113.467 8.344 1
1 539 . 11 1 1 A 52 52 GLN H H 49 8.372 8.360 0.012 1
1 540 . 11 1 1 A 52 52 GLN HA H 49 4.330 4.408 -0.078 1
1 545 . 11 1 1 A 52 52 GLN C C 49 175.303 175.252 0.051 1
1 546 . 11 1 1 A 52 52 GLN CA C 49 55.180 54.589 0.591 1
1 547 . 11 1 1 A 52 52 GLN CB C 49 30.017 29.250 0.767 1
1 549 . 11 1 1 A 52 52 GLN N N 49 120.928 119.498 1.430 1
1 550 . 11 1 1 A 53 53 GLN H H 50 8.366 8.865 -0.499 1
1 551 . 11 1 1 A 53 53 GLN HA H 50 4.455 5.294 -0.839 1
1 558 . 11 1 1 A 53 53 GLN C C 50 175.616 173.831 1.785 1
1 559 . 11 1 1 A 53 53 GLN CA C 50 55.825 54.562 1.263 1
1 560 . 11 1 1 A 53 53 GLN CB C 50 29.988 29.655 0.333 1
1 562 . 11 1 1 A 53 53 GLN N N 50 122.169 117.451 4.718 1
1 564 . 11 1 1 A 54 54 VAL H H 51 8.577 8.324 0.253 1
1 565 . 11 1 1 A 54 54 VAL HA H 51 3.999 4.572 -0.573 1
1 570 . 11 1 1 A 54 54 VAL C C 51 174.678 174.789 -0.111 1
1 571 . 11 1 1 A 54 54 VAL CA C 51 62.792 60.488 2.304 1
1 572 . 11 1 1 A 54 54 VAL CB C 51 32.809 33.291 -0.482 1
1 574 . 11 1 1 A 54 54 VAL N N 51 124.540 126.180 -1.640 1
1 575 . 11 1 1 A 55 55 LYS H H 52 8.025 9.003 -0.978 1
1 576 . 11 1 1 A 55 55 LYS HA H 52 5.098 5.698 -0.600 1
1 585 . 11 1 1 A 55 55 LYS C C 52 175.397 174.990 0.407 1
1 586 . 11 1 1 A 55 55 LYS CA C 52 55.259 54.372 0.887 1
1 587 . 11 1 1 A 55 55 LYS CB C 52 35.090 36.152 -1.062 1
1 591 . 11 1 1 A 55 55 LYS N N 52 123.649 123.123 0.526 1
1 592 . 11 1 1 A 56 56 LEU H H 53 8.965 8.877 0.088 1
1 593 . 11 1 1 A 56 56 LEU HA H 53 4.527 5.092 -0.565 1
1 602 . 11 1 1 A 56 56 LEU C C 53 175.272 176.023 -0.751 1
1 603 . 11 1 1 A 56 56 LEU CA C 53 53.385 53.335 0.050 1
1 604 . 11 1 1 A 56 56 LEU CB C 53 45.496 45.170 0.326 1
1 607 . 11 1 1 A 56 56 LEU N N 53 125.718 124.213 1.505 1
1 608 . 11 1 1 A 57 57 THR H H 54 7.647 8.723 -1.076 1
1 609 . 11 1 1 A 57 57 THR HA H 54 5.197 5.557 -0.360 1
1 614 . 11 1 1 A 57 57 THR C C 54 173.426 173.232 0.194 1
1 615 . 11 1 1 A 57 57 THR CA C 54 60.016 59.730 0.286 1
1 616 . 11 1 1 A 57 57 THR CB C 54 71.074 71.057 0.017 1
1 618 . 11 1 1 A 57 57 THR N N 54 110.955 112.774 -1.819 1
1 619 . 11 1 1 A 58 58 PHE H H 55 9.240 8.906 0.334 1
1 620 . 11 1 1 A 58 58 PHE HA H 55 4.703 4.895 -0.192 1
1 626 . 11 1 1 A 58 58 PHE C C 55 175.225 176.034 -0.809 1
1 627 . 11 1 1 A 58 58 PHE CA C 55 56.721 56.328 0.393 1
1 628 . 11 1 1 A 58 58 PHE CB C 55 44.606 42.839 1.767 1
1 631 . 11 1 1 A 58 58 PHE N N 55 119.380 119.665 -0.285 1
1 632 . 11 1 1 A 59 59 GLU H H 56 8.828 8.877 -0.049 1
1 633 . 11 1 1 A 59 59 GLU HA H 56 4.390 4.329 0.061 1
1 638 . 11 1 1 A 59 59 GLU C C 56 176.868 176.675 0.193 1
1 639 . 11 1 1 A 59 59 GLU CA C 56 58.849 58.640 0.209 1
1 640 . 11 1 1 A 59 59 GLU CB C 56 30.977 30.900 0.077 1
1 642 . 11 1 1 A 59 59 GLU N N 56 119.209 121.389 -2.180 1
1 643 . 11 1 1 A 60 60 THR H H 57 7.090 7.573 -0.483 1
1 644 . 11 1 1 A 60 60 THR HA H 57 4.538 4.666 -0.128 1
1 649 . 11 1 1 A 60 60 THR C C 57 173.113 175.001 -1.888 1
1 650 . 11 1 1 A 60 60 THR CA C 57 58.619 59.577 -0.958 1
1 651 . 11 1 1 A 60 60 THR CB C 57 72.972 72.770 0.202 1
1 653 . 11 1 1 A 60 60 THR N N 57 102.317 109.965 -7.648 1
1 654 . 11 1 1 A 61 61 GLN H H 58 7.590 8.039 -0.449 1
1 655 . 11 1 1 A 61 61 GLN HA H 58 2.307 3.258 -0.951 1
1 662 . 11 1 1 A 61 61 GLN C C 58 177.713 177.257 0.456 1
1 663 . 11 1 1 A 61 61 GLN CA C 58 58.692 58.556 0.136 1
1 664 . 11 1 1 A 61 61 GLN CB C 58 27.689 27.345 0.344 1
1 666 . 11 1 1 A 61 61 GLN N N 58 122.133 121.209 0.924 1
1 668 . 11 1 1 A 62 62 GLU H H 59 8.587 8.039 0.548 1
1 669 . 11 1 1 A 62 62 GLU HA H 59 3.673 3.835 -0.162 1
1 674 . 11 1 1 A 62 62 GLU C C 59 179.337 179.315 0.022 1
1 675 . 11 1 1 A 62 62 GLU CA C 59 59.847 59.152 0.695 1
1 676 . 11 1 1 A 62 62 GLU CB C 59 28.578 29.045 -0.467 1
1 678 . 11 1 1 A 62 62 GLU N N 59 117.069 118.404 -1.335 1
1 679 . 11 1 1 A 63 63 GLN H H 60 7.671 7.391 0.280 1
1 680 . 11 1 1 A 63 63 GLN HA H 60 3.812 3.918 -0.106 1
1 687 . 11 1 1 A 63 63 GLN C C 60 178.339 177.649 0.690 1
1 688 . 11 1 1 A 63 63 GLN CA C 60 58.411 58.428 -0.017 1
1 689 . 11 1 1 A 63 63 GLN CB C 60 29.308 28.365 0.943 1
1 691 . 11 1 1 A 63 63 GLN N N 60 118.959 118.583 0.376 1
1 693 . 11 1 1 A 64 64 ALA H H 61 6.836 7.252 -0.416 1
1 694 . 11 1 1 A 64 64 ALA HA H 61 1.982 2.810 -0.828 1
1 698 . 11 1 1 A 64 64 ALA C C 61 178.151 179.192 -1.041 1
1 699 . 11 1 1 A 64 64 ALA CA C 61 54.112 54.349 -0.237 1
1 700 . 11 1 1 A 64 64 ALA CB C 61 18.627 18.076 0.551 1
1 701 . 11 1 1 A 64 64 ALA N N 61 123.296 122.247 1.049 1
1 702 . 11 1 1 A 65 65 GLU H H 62 8.014 7.911 0.103 1
1 703 . 11 1 1 A 65 65 GLU HA H 62 2.853 3.394 -0.541 1
1 708 . 11 1 1 A 65 65 GLU C C 62 177.901 178.587 -0.686 1
1 709 . 11 1 1 A 65 65 GLU CA C 62 60.601 58.878 1.723 1
1 710 . 11 1 1 A 65 65 GLU CB C 62 30.597 28.777 1.820 1
1 712 . 11 1 1 A 65 65 GLU N N 62 115.643 116.351 -0.708 1
1 713 . 11 1 1 A 66 66 ALA H H 63 7.954 7.789 0.165 1
1 714 . 11 1 1 A 66 66 ALA HA H 63 3.812 4.358 -0.546 1
1 718 . 11 1 1 A 66 66 ALA C C 63 180.245 179.292 0.953 1
1 719 . 11 1 1 A 66 66 ALA CA C 63 54.968 54.777 0.191 1
1 720 . 11 1 1 A 66 66 ALA CB C 63 17.876 18.027 -0.151 1
1 721 . 11 1 1 A 66 66 ALA N N 63 120.250 121.702 -1.452 1
1 722 . 11 1 1 A 67 67 TYR H H 64 7.373 7.733 -0.360 1
1 723 . 11 1 1 A 67 67 TYR HA H 64 3.789 4.017 -0.228 1
1 730 . 11 1 1 A 67 67 TYR C C 64 176.680 176.691 -0.011 1
1 731 . 11 1 1 A 67 67 TYR CA C 64 61.624 61.665 -0.041 1
1 732 . 11 1 1 A 67 67 TYR CB C 64 38.947 38.390 0.557 1
1 735 . 11 1 1 A 67 67 TYR N N 64 119.523 119.801 -0.278 1
1 736 . 11 1 1 A 68 68 ALA H H 65 7.653 7.714 -0.061 1
1 737 . 11 1 1 A 68 68 ALA HA H 65 3.608 3.748 -0.140 1
1 741 . 11 1 1 A 68 68 ALA C C 65 179.650 179.859 -0.209 1
1 742 . 11 1 1 A 68 68 ALA CA C 65 55.407 55.206 0.201 1
1 743 . 11 1 1 A 68 68 ALA CB C 65 18.001 17.768 0.233 1
1 744 . 11 1 1 A 68 68 ALA N N 65 120.416 121.296 -0.880 1
1 745 . 11 1 1 A 69 69 GLN H H 66 8.491 8.226 0.265 1
1 746 . 11 1 1 A 69 69 GLN HA H 66 4.150 3.959 0.191 1
1 753 . 11 1 1 A 69 69 GLN C C 66 180.119 178.410 1.709 1
1 754 . 11 1 1 A 69 69 GLN CA C 66 58.639 59.039 -0.400 1
1 755 . 11 1 1 A 69 69 GLN CB C 66 28.035 28.504 -0.469 1
1 757 . 11 1 1 A 69 69 GLN N N 66 115.832 117.447 -1.615 1
1 759 . 11 1 1 A 70 70 ARG H H 67 7.962 7.713 0.249 1
1 760 . 11 1 1 A 70 70 ARG HA H 67 3.991 4.041 -0.050 1
1 767 . 11 1 1 A 70 70 ARG C C 67 178.370 178.011 0.359 1
1 768 . 11 1 1 A 70 70 ARG CA C 67 58.849 58.937 -0.088 1
1 769 . 11 1 1 A 70 70 ARG CB C 67 29.735 29.636 0.099 1
1 772 . 11 1 1 A 70 70 ARG N N 67 120.213 120.118 0.095 1
1 773 . 11 1 1 A 71 71 LYS H H 68 7.506 7.190 0.316 1
1 774 . 11 1 1 A 71 71 LYS HA H 68 4.132 4.183 -0.051 1
1 783 . 11 1 1 A 71 71 LYS C C 68 176.712 177.010 -0.298 1
1 784 . 11 1 1 A 71 71 LYS CA C 68 54.781 55.827 -1.046 1
1 785 . 11 1 1 A 71 71 LYS CB C 68 32.447 33.014 -0.567 1
1 789 . 11 1 1 A 71 71 LYS N N 68 115.757 115.814 -0.057 1
1 790 . 11 1 1 A 72 72 GLY H H 69 7.680 7.704 -0.024 1
1 791 . 11 1 1 A 72 72 GLY HA2 H 69 3.887 3.946 -0.059 1
1 792 . 11 1 1 A 72 72 GLY HA3 H 69 3.818 3.951 -0.133 1
1 793 . 11 1 1 A 72 72 GLY C C 69 175.415 174.416 0.999 1
1 794 . 11 1 1 A 72 72 GLY CA C 69 46.621 45.202 1.419 1
1 795 . 11 1 1 A 72 72 GLY N N 69 109.542 105.998 3.544 1
1 796 . 11 1 1 A 73 73 ILE H H 70 8.180 7.398 0.782 1
1 797 . 11 1 1 A 73 73 ILE HA H 70 3.951 4.173 -0.222 1
1 805 . 11 1 1 A 73 73 ILE C C 70 175.835 175.927 -0.092 1
1 806 . 11 1 1 A 73 73 ILE CA C 70 60.560 61.278 -0.718 1
1 807 . 11 1 1 A 73 73 ILE CB C 70 40.035 37.800 2.235 1
1 810 . 11 1 1 A 73 73 ILE N N 70 121.234 122.845 -1.611 1
1 811 . 11 1 1 A 74 74 GLU H H 71 8.428 8.222 0.206 1
1 812 . 11 1 1 A 74 74 GLU HA H 71 4.289 4.253 0.036 1
1 817 . 11 1 1 A 74 74 GLU C C 71 175.460 176.305 -0.845 1
1 818 . 11 1 1 A 74 74 GLU CA C 71 56.533 56.807 -0.274 1
1 819 . 11 1 1 A 74 74 GLU CB C 71 29.683 29.972 -0.289 1
1 821 . 11 1 1 A 74 74 GLU N N 71 129.096 127.946 1.150 1
1 822 . 11 1 1 A 75 75 TYR H H 72 8.004 8.583 -0.579 1
1 823 . 11 1 1 A 75 75 TYR HA H 72 5.805 5.680 0.125 1
1 830 . 11 1 1 A 75 75 TYR C C 72 173.332 172.460 0.872 1
1 831 . 11 1 1 A 75 75 TYR CA C 72 55.323 55.687 -0.364 1
1 832 . 11 1 1 A 75 75 TYR CB C 72 42.290 42.224 0.066 1
1 835 . 11 1 1 A 75 75 TYR N N 72 120.850 118.102 2.748 1
1 836 . 11 1 1 A 76 76 ARG H H 73 7.936 8.924 -0.988 1
1 837 . 11 1 1 A 76 76 ARG HA H 73 4.656 4.970 -0.314 1
1 844 . 11 1 1 A 76 76 ARG C C 73 174.302 175.435 -1.133 1
1 845 . 11 1 1 A 76 76 ARG CA C 73 53.883 54.728 -0.845 1
1 846 . 11 1 1 A 76 76 ARG CB C 73 32.856 32.921 -0.065 1
1 849 . 11 1 1 A 76 76 ARG N N 73 117.640 120.914 -3.274 1
1 850 . 11 1 1 A 77 77 VAL H H 74 8.859 8.870 -0.011 1
1 851 . 11 1 1 A 77 77 VAL HA H 74 4.885 4.910 -0.025 1
1 859 . 11 1 1 A 77 77 VAL C C 74 176.023 175.433 0.590 1
1 860 . 11 1 1 A 77 77 VAL CA C 74 61.540 61.789 -0.249 1
1 861 . 11 1 1 A 77 77 VAL CB C 74 32.377 33.015 -0.638 1
1 864 . 11 1 1 A 77 77 VAL N N 74 124.091 123.453 0.638 1
1 865 . 11 1 1 A 78 78 ILE H H 75 9.282 9.662 -0.380 1
1 866 . 11 1 1 A 78 78 ILE HA H 75 4.297 4.821 -0.524 1
1 876 . 11 1 1 A 78 78 ILE C C 75 175.178 176.079 -0.901 1
1 877 . 11 1 1 A 78 78 ILE CA C 75 59.850 59.888 -0.038 1
1 878 . 11 1 1 A 78 78 ILE CB C 75 37.546 41.117 -3.571 1
1 882 . 11 1 1 A 78 78 ILE N N 75 130.317 126.640 3.677 1
1 883 . 11 1 1 A 79 79 LEU H H 76 8.428 8.659 -0.231 1
1 884 . 11 1 1 A 79 79 LEU HA H 76 4.747 4.696 0.051 1
1 894 . 11 1 1 A 79 79 LEU CA C 76 52.672 54.080 -1.408 1
1 895 . 11 1 1 A 79 79 LEU CB C 76 41.865 40.946 0.919 1
1 899 . 11 1 1 A 79 79 LEU N N 76 128.194 128.416 -0.222 1
1 900 . 11 1 1 A 80 80 PRO HA H 77 4.402 4.509 -0.107 1
1 907 . 11 1 1 A 80 80 PRO C C 77 177.087 177.759 -0.672 1
1 908 . 11 1 1 A 80 80 PRO CA C 77 63.104 62.334 0.770 1
1 909 . 11 1 1 A 80 80 PRO CB C 77 32.145 32.347 -0.202 1
1 912 . 11 1 1 A 81 81 LYS H H 78 8.373 8.309 0.064 1
1 913 . 11 1 1 A 81 81 LYS HA H 78 4.205 3.963 0.242 1
1 922 . 11 1 1 A 81 81 LYS C C 78 174.200 176.837 -2.637 1
1 923 . 11 1 1 A 81 81 LYS CA C 78 57.050 58.821 -1.771 1
1 924 . 11 1 1 A 81 81 LYS CB C 78 32.750 31.825 0.925 1
1 928 . 11 1 1 A 81 81 LYS N N 78 121.644 121.909 -0.265 1
1 929 . 11 1 1 A 82 82 GLU H H 79 8.452 8.259 0.193 1
1 930 . 11 1 1 A 82 82 GLU HA H 79 4.216 4.478 -0.262 1
1 935 . 11 1 1 A 82 82 GLU C C 79 176.336 176.638 -0.302 1
1 936 . 11 1 1 A 82 82 GLU CA C 79 56.533 55.241 1.292 1
1 937 . 11 1 1 A 82 82 GLU CB C 79 29.996 28.777 1.219 1
1 939 . 11 1 1 A 82 82 GLU N N 79 121.461 116.900 4.561 1
1 10 . 12 1 1 A 5 5 SER H H 2 8.403 9.128 -0.725 1
1 11 . 12 1 1 A 5 5 SER HA H 2 5.099 5.484 -0.385 1
1 14 . 12 1 1 A 5 5 SER C C 2 173.833 173.322 0.511 1
1 15 . 12 1 1 A 5 5 SER CA C 2 57.556 57.639 -0.083 1
1 16 . 12 1 1 A 5 5 SER CB C 2 65.337 64.939 0.398 1
1 17 . 12 1 1 A 5 5 SER N N 2 116.747 122.228 -5.481 1
1 18 . 12 1 1 A 6 6 ALA H H 3 8.552 9.364 -0.812 1
1 19 . 12 1 1 A 6 6 ALA HA H 3 5.040 5.662 -0.622 1
1 23 . 12 1 1 A 6 6 ALA C C 3 176.117 176.901 -0.784 1
1 24 . 12 1 1 A 6 6 ALA CA C 3 51.500 50.398 1.102 1
1 25 . 12 1 1 A 6 6 ALA CB C 3 23.991 21.142 2.849 1
1 26 . 12 1 1 A 6 6 ALA N N 3 123.072 129.434 -6.362 1
1 27 . 12 1 1 A 7 7 LYS H H 4 8.706 9.519 -0.813 1
1 28 . 12 1 1 A 7 7 LYS HA H 4 5.428 5.637 -0.209 1
1 37 . 12 1 1 A 7 7 LYS C C 4 174.490 175.352 -0.862 1
1 38 . 12 1 1 A 7 7 LYS CA C 4 54.280 55.029 -0.749 1
1 39 . 12 1 1 A 7 7 LYS CB C 4 36.399 35.327 1.072 1
1 43 . 12 1 1 A 7 7 LYS N N 4 117.868 119.986 -2.118 1
1 44 . 12 1 1 A 8 8 ILE H H 5 8.752 9.042 -0.290 1
1 45 . 12 1 1 A 8 8 ILE HA H 5 5.741 5.149 0.592 1
1 55 . 12 1 1 A 8 8 ILE C C 5 174.552 175.095 -0.543 1
1 56 . 12 1 1 A 8 8 ILE CA C 5 59.953 60.646 -0.693 1
1 57 . 12 1 1 A 8 8 ILE CB C 5 41.115 39.110 2.005 1
1 61 . 12 1 1 A 8 8 ILE N N 5 122.521 126.309 -3.788 1
1 62 . 12 1 1 A 9 9 TYR H H 6 8.980 8.806 0.174 1
1 63 . 12 1 1 A 9 9 TYR HA H 6 5.214 5.688 -0.474 1
1 68 . 12 1 1 A 9 9 TYR C C 6 171.856 172.570 -0.714 1
1 69 . 12 1 1 A 9 9 TYR CA C 6 56.053 55.910 0.143 1
1 70 . 12 1 1 A 9 9 TYR CB C 6 40.371 41.766 -1.395 1
1 72 . 12 1 1 A 9 9 TYR N N 6 122.495 124.629 -2.134 1
1 73 . 12 1 1 A 10 10 ARG H H 7 8.830 8.545 0.285 1
1 74 . 12 1 1 A 10 10 ARG HA H 7 4.498 4.657 -0.159 1
1 81 . 12 1 1 A 10 10 ARG CA C 7 51.891 52.801 -0.910 1
1 82 . 12 1 1 A 10 10 ARG CB C 7 30.299 31.474 -1.175 1
1 85 . 12 1 1 A 10 10 ARG N N 7 122.632 120.556 2.076 1
1 86 . 12 1 1 A 11 11 PRO HA H 8 4.369 4.756 -0.387 1
1 93 . 12 1 1 A 11 11 PRO C C 8 176.086 176.419 -0.333 1
1 94 . 12 1 1 A 11 11 PRO CA C 8 62.730 62.403 0.327 1
1 95 . 12 1 1 A 11 11 PRO CB C 8 32.364 33.037 -0.673 1
1 98 . 12 1 1 A 12 12 ALA H H 9 8.384 8.580 -0.196 1
1 99 . 12 1 1 A 12 12 ALA HA H 9 4.193 4.091 0.102 1
1 103 . 12 1 1 A 12 12 ALA C C 9 177.948 178.441 -0.493 1
1 104 . 12 1 1 A 12 12 ALA CA C 9 52.406 53.773 -1.367 1
1 105 . 12 1 1 A 12 12 ALA CB C 9 19.441 18.976 0.465 1
1 106 . 12 1 1 A 12 12 ALA N N 9 124.348 124.370 -0.022 1
1 107 . 12 1 1 A 13 13 LYS H H 10 8.242 8.083 0.159 1
1 108 . 12 1 1 A 13 13 LYS HA H 10 4.289 4.377 -0.088 1
1 117 . 12 1 1 A 13 13 LYS C C 10 176.555 176.764 -0.209 1
1 118 . 12 1 1 A 13 13 LYS CA C 10 56.345 57.285 -0.940 1
1 119 . 12 1 1 A 13 13 LYS CB C 10 33.052 31.828 1.224 1
1 123 . 12 1 1 A 13 13 LYS N N 10 120.348 113.704 6.644 1
1 124 . 12 1 1 A 14 14 THR H H 11 7.950 7.580 0.370 1
1 125 . 12 1 1 A 14 14 THR HA H 11 4.320 4.215 0.105 1
1 130 . 12 1 1 A 14 14 THR C C 11 174.302 174.591 -0.289 1
1 131 . 12 1 1 A 14 14 THR CA C 11 61.603 62.198 -0.595 1
1 132 . 12 1 1 A 14 14 THR CB C 11 69.699 69.535 0.164 1
1 134 . 12 1 1 A 14 14 THR N N 11 112.991 114.567 -1.576 1
1 135 . 12 1 1 A 15 15 ALA H H 12 8.189 8.580 -0.391 1
1 136 . 12 1 1 A 15 15 ALA HA H 12 4.250 4.521 -0.271 1
1 140 . 12 1 1 A 15 15 ALA C C 12 177.838 177.216 0.622 1
1 141 . 12 1 1 A 15 15 ALA CA C 12 52.840 51.129 1.711 1
1 142 . 12 1 1 A 15 15 ALA CB C 12 19.231 20.047 -0.816 1
1 143 . 12 1 1 A 15 15 ALA N N 12 125.979 126.569 -0.590 1
1 144 . 12 1 1 A 16 16 MET H H 13 8.110 8.675 -0.565 1
1 145 . 12 1 1 A 16 16 MET HA H 13 4.374 4.058 0.316 1
1 150 . 12 1 1 A 16 16 MET C C 13 176.148 175.421 0.727 1
1 151 . 12 1 1 A 16 16 MET CA C 13 55.595 56.688 -1.093 1
1 152 . 12 1 1 A 16 16 MET CB C 13 32.625 30.944 1.681 1
1 154 . 12 1 1 A 16 16 MET N N 13 118.186 114.549 3.637 1
1 155 . 12 1 1 A 17 17 GLN H H 14 8.198 8.039 0.159 1
1 156 . 12 1 1 A 17 17 GLN HA H 14 4.273 4.391 -0.118 1
1 161 . 12 1 1 A 17 17 GLN C C 14 175.992 174.570 1.422 1
1 162 . 12 1 1 A 17 17 GLN CA C 14 56.032 55.227 0.805 1
1 163 . 12 1 1 A 17 17 GLN CB C 14 29.371 28.931 0.440 1
1 165 . 12 1 1 A 17 17 GLN N N 14 121.811 118.893 2.918 1
1 166 . 12 1 1 A 18 18 SER H H 15 8.275 8.115 0.160 1
1 167 . 12 1 1 A 18 18 SER HA H 15 4.379 4.696 -0.317 1
1 170 . 12 1 1 A 18 18 SER C C 15 175.053 174.203 0.850 1
1 171 . 12 1 1 A 18 18 SER CA C 15 58.536 55.737 2.799 1
1 172 . 12 1 1 A 18 18 SER CB C 15 63.856 65.763 -1.907 1
1 173 . 12 1 1 A 18 18 SER N N 15 116.768 120.151 -3.383 1
1 174 . 12 1 1 A 19 19 GLY H H 16 8.430 8.552 -0.122 1
1 175 . 12 1 1 A 19 19 GLY HA2 H 16 4.031 3.888 0.143 1
1 176 . 12 1 1 A 19 19 GLY HA3 H 16 3.906 3.888 0.018 1
1 177 . 12 1 1 A 19 19 GLY C C 16 174.490 173.310 1.180 1
1 178 . 12 1 1 A 19 19 GLY CA C 16 45.580 47.181 -1.601 1
1 179 . 12 1 1 A 19 19 GLY N N 16 111.050 110.454 0.596 1
1 180 . 12 1 1 A 20 20 THR H H 17 7.950 8.106 -0.156 1
1 181 . 12 1 1 A 20 20 THR HA H 17 4.289 4.879 -0.590 1
1 185 . 12 1 1 A 20 20 THR C C 17 174.427 173.756 0.671 1
1 186 . 12 1 1 A 20 20 THR CA C 17 61.477 60.546 0.931 1
1 188 . 12 1 1 A 20 20 THR N N 17 112.991 117.064 -4.073 1
1 189 . 12 1 1 A 21 21 ALA H H 18 8.247 8.883 -0.636 1
1 190 . 12 1 1 A 21 21 ALA N N 18 125.213 127.783 -2.570 1
1 191 . 12 1 1 A 22 22 LYS HA H 19 4.265 4.061 0.204 1
1 200 . 12 1 1 A 22 22 LYS C C 19 176.774 179.036 -2.262 1
1 201 . 12 1 1 A 22 22 LYS CA C 19 56.596 59.059 -2.463 1
1 202 . 12 1 1 A 22 22 LYS CB C 19 33.126 32.135 0.991 1
1 206 . 12 1 1 A 23 23 THR H H 20 8.004 8.039 -0.035 1
1 207 . 12 1 1 A 23 23 THR HA H 20 4.333 4.085 0.248 1
1 212 . 12 1 1 A 23 23 THR C C 20 174.083 174.892 -0.809 1
1 213 . 12 1 1 A 23 23 THR CA C 20 61.682 65.568 -3.886 1
1 214 . 12 1 1 A 23 23 THR CB C 20 69.908 68.308 1.600 1
1 216 . 12 1 1 A 23 23 THR N N 20 113.978 113.265 0.713 1
1 217 . 12 1 1 A 24 24 ASN H H 21 8.289 7.736 0.553 1
1 218 . 12 1 1 A 24 24 ASN HA H 21 4.689 4.821 -0.132 1
1 223 . 12 1 1 A 24 24 ASN C C 21 174.177 173.927 0.250 1
1 224 . 12 1 1 A 24 24 ASN CA C 21 52.966 52.413 0.553 1
1 225 . 12 1 1 A 24 24 ASN CB C 21 38.404 37.641 0.763 1
1 226 . 12 1 1 A 24 24 ASN N N 21 118.085 119.045 -0.960 1
1 228 . 12 1 1 A 25 25 VAL H H 22 7.381 8.168 -0.787 1
1 229 . 12 1 1 A 25 25 VAL HA H 22 4.336 4.421 -0.085 1
1 237 . 12 1 1 A 25 25 VAL C C 22 174.271 175.471 -1.200 1
1 238 . 12 1 1 A 25 25 VAL CA C 22 61.540 61.459 0.081 1
1 239 . 12 1 1 A 25 25 VAL CB C 22 33.771 33.287 0.484 1
1 242 . 12 1 1 A 25 25 VAL N N 22 115.156 123.935 -8.779 1
1 243 . 12 1 1 A 26 26 TRP H H 23 8.581 8.674 -0.093 1
1 244 . 12 1 1 A 26 26 TRP HA H 23 4.430 5.123 -0.693 1
1 253 . 12 1 1 A 26 26 TRP C C 23 174.803 175.937 -1.134 1
1 254 . 12 1 1 A 26 26 TRP CA C 23 56.721 57.453 -0.732 1
1 255 . 12 1 1 A 26 26 TRP CB C 23 30.651 29.759 0.892 1
1 261 . 12 1 1 A 26 26 TRP N N 23 120.570 128.132 -7.562 1
1 263 . 12 1 1 A 27 27 VAL H H 24 9.122 8.738 0.384 1
1 264 . 12 1 1 A 27 27 VAL HA H 24 4.774 4.577 0.197 1
1 272 . 12 1 1 A 27 27 VAL C C 24 173.739 173.988 -0.249 1
1 273 . 12 1 1 A 27 27 VAL CA C 24 60.101 61.409 -1.308 1
1 274 . 12 1 1 A 27 27 VAL CB C 24 34.726 33.198 1.528 1
1 277 . 12 1 1 A 27 27 VAL N N 24 121.265 124.259 -2.994 1
1 278 . 12 1 1 A 28 28 LEU H H 25 8.713 9.093 -0.380 1
1 279 . 12 1 1 A 28 28 LEU HA H 25 5.126 5.380 -0.254 1
1 288 . 12 1 1 A 28 28 LEU C C 25 174.177 174.600 -0.423 1
1 289 . 12 1 1 A 28 28 LEU CA C 25 53.863 53.519 0.344 1
1 290 . 12 1 1 A 28 28 LEU CB C 25 46.227 44.808 1.419 1
1 293 . 12 1 1 A 28 28 LEU N N 25 125.972 129.741 -3.769 1
1 294 . 12 1 1 A 29 29 GLU H H 26 9.283 9.170 0.113 1
1 295 . 12 1 1 A 29 29 GLU HA H 26 5.353 5.297 0.056 1
1 300 . 12 1 1 A 29 29 GLU C C 26 175.867 175.370 0.497 1
1 301 . 12 1 1 A 29 29 GLU CA C 26 53.883 54.846 -0.963 1
1 302 . 12 1 1 A 29 29 GLU CB C 26 34.594 33.206 1.388 1
1 304 . 12 1 1 A 29 29 GLU N N 26 127.083 128.647 -1.564 1
1 305 . 12 1 1 A 30 30 PHE H H 27 8.761 8.693 0.068 1
1 306 . 12 1 1 A 30 30 PHE HA H 27 4.797 5.535 -0.738 1
1 313 . 12 1 1 A 30 30 PHE C C 27 174.959 172.746 2.213 1
1 314 . 12 1 1 A 30 30 PHE CA C 27 58.160 55.717 2.443 1
1 315 . 12 1 1 A 30 30 PHE CB C 27 40.218 42.120 -1.902 1
1 318 . 12 1 1 A 30 30 PHE N N 27 125.378 121.629 3.749 1
1 319 . 12 1 1 A 31 31 ASP H H 28 8.705 8.700 0.005 1
1 320 . 12 1 1 A 31 31 ASP HA H 28 4.735 4.834 -0.099 1
1 323 . 12 1 1 A 31 31 ASP C C 28 175.898 175.374 0.524 1
1 324 . 12 1 1 A 31 31 ASP CA C 28 54.468 53.615 0.853 1
1 325 . 12 1 1 A 31 31 ASP CB C 28 41.529 41.690 -0.161 1
1 326 . 12 1 1 A 31 31 ASP N N 28 121.546 119.950 1.596 1
1 327 . 12 1 1 A 32 32 ALA H H 29 8.527 8.936 -0.409 1
1 328 . 12 1 1 A 32 32 ALA HA H 29 4.400 5.030 -0.630 1
1 332 . 12 1 1 A 32 32 ALA C C 29 177.150 178.065 -0.915 1
1 333 . 12 1 1 A 32 32 ALA CA C 29 52.027 51.211 0.816 1
1 334 . 12 1 1 A 32 32 ALA CB C 29 20.212 20.003 0.209 1
1 335 . 12 1 1 A 32 32 ALA N N 29 124.632 126.941 -2.309 1
1 336 . 12 1 1 A 33 33 GLU H H 30 8.481 8.762 -0.281 1
1 337 . 12 1 1 A 33 33 GLU HA H 30 4.281 4.359 -0.078 1
1 342 . 12 1 1 A 33 33 GLU C C 30 176.336 175.403 0.933 1
1 343 . 12 1 1 A 33 33 GLU CA C 30 56.309 56.605 -0.296 1
1 344 . 12 1 1 A 33 33 GLU CB C 30 30.309 28.628 1.681 1
1 346 . 12 1 1 A 33 33 GLU N N 30 120.547 124.302 -3.755 1
1 347 . 12 1 1 A 34 34 VAL H H 31 8.140 8.357 -0.217 1
1 348 . 12 1 1 A 34 34 VAL HA H 31 4.332 4.800 -0.468 1
1 353 . 12 1 1 A 34 34 VAL CA C 31 60.006 58.446 1.560 1
1 354 . 12 1 1 A 34 34 VAL CB C 31 32.620 34.363 -1.743 1
1 356 . 12 1 1 A 34 34 VAL N N 31 122.541 122.785 -0.244 1
1 357 . 12 1 1 A 35 35 PRO HA H 32 4.343 4.702 -0.359 1
1 364 . 12 1 1 A 35 35 PRO C C 32 176.649 176.989 -0.340 1
1 365 . 12 1 1 A 35 35 PRO CA C 32 63.167 62.397 0.770 1
1 366 . 12 1 1 A 35 35 PRO CB C 32 31.999 33.282 -1.283 1
1 369 . 12 1 1 A 36 36 ARG H H 33 8.282 8.457 -0.175 1
1 370 . 12 1 1 A 36 36 ARG HA H 33 4.268 4.036 0.232 1
1 377 . 12 1 1 A 36 36 ARG C C 33 176.148 176.536 -0.388 1
1 378 . 12 1 1 A 36 36 ARG CA C 33 55.845 57.764 -1.919 1
1 379 . 12 1 1 A 36 36 ARG CB C 33 31.061 29.454 1.607 1
1 382 . 12 1 1 A 36 36 ARG N N 33 121.352 119.662 1.690 1
1 383 . 12 1 1 A 37 37 LYS H H 34 8.256 7.498 0.758 1
1 384 . 12 1 1 A 37 37 LYS HA H 34 4.265 4.288 -0.023 1
1 391 . 12 1 1 A 37 37 LYS C C 34 176.054 175.727 0.327 1
1 392 . 12 1 1 A 37 37 LYS CA C 34 56.220 55.968 0.252 1
1 393 . 12 1 1 A 37 37 LYS CB C 34 33.103 31.759 1.344 1
1 396 . 12 1 1 A 37 37 LYS N N 34 122.458 121.328 1.130 1
1 397 . 12 1 1 A 38 38 ILE H H 35 8.066 8.301 -0.235 1
1 398 . 12 1 1 A 38 38 ILE HA H 35 4.053 4.389 -0.336 1
1 408 . 12 1 1 A 38 38 ILE C C 35 175.397 174.977 0.420 1
1 409 . 12 1 1 A 38 38 ILE CA C 35 60.560 61.141 -0.581 1
1 410 . 12 1 1 A 38 38 ILE CB C 35 38.883 38.102 0.781 1
1 414 . 12 1 1 A 38 38 ILE N N 35 121.996 125.989 -3.993 1
1 415 . 12 1 1 A 39 39 ASP H H 36 8.270 8.054 0.216 1
1 416 . 12 1 1 A 39 39 ASP HA H 36 4.824 5.121 -0.297 1
1 419 . 12 1 1 A 39 39 ASP CA C 36 52.138 50.678 1.460 1
1 420 . 12 1 1 A 39 39 ASP CB C 36 42.009 43.378 -1.369 1
1 421 . 12 1 1 A 39 39 ASP N N 36 126.273 126.614 -0.341 1
1 422 . 12 1 1 A 40 40 PRO HA H 37 4.295 4.302 -0.007 1
1 429 . 12 1 1 A 40 40 PRO C C 37 177.275 178.557 -1.282 1
1 430 . 12 1 1 A 40 40 PRO CA C 37 63.731 65.041 -1.310 1
1 431 . 12 1 1 A 40 40 PRO CB C 37 32.135 31.816 0.319 1
1 434 . 12 1 1 A 41 41 ILE H H 38 8.115 7.764 0.351 1
1 435 . 12 1 1 A 41 41 ILE HA H 38 4.030 3.909 0.121 1
1 445 . 12 1 1 A 41 41 ILE C C 38 176.993 176.644 0.349 1
1 446 . 12 1 1 A 41 41 ILE CA C 38 61.790 63.683 -1.893 1
1 447 . 12 1 1 A 41 41 ILE CB C 38 38.132 38.418 -0.286 1
1 451 . 12 1 1 A 41 41 ILE N N 38 119.202 117.058 2.144 1
1 452 . 12 1 1 A 42 42 MET H H 39 8.189 8.188 0.001 1
1 453 . 12 1 1 A 42 42 MET HA H 39 4.351 4.760 -0.409 1
1 458 . 12 1 1 A 42 42 MET C C 39 176.962 176.103 0.859 1
1 459 . 12 1 1 A 42 42 MET CA C 39 55.532 54.337 1.195 1
1 460 . 12 1 1 A 42 42 MET CB C 39 32.249 32.848 -0.599 1
1 462 . 12 1 1 A 42 42 MET N N 39 120.640 117.504 3.136 1
1 463 . 12 1 1 A 43 43 GLY H H 40 8.105 8.773 -0.668 1
1 464 . 12 1 1 A 43 43 GLY HA2 H 40 3.931 3.815 0.116 1
1 465 . 12 1 1 A 43 43 GLY HA3 H 40 3.740 3.877 -0.137 1
1 466 . 12 1 1 A 43 43 GLY C C 40 173.707 173.767 -0.060 1
1 467 . 12 1 1 A 43 43 GLY CA C 40 45.455 46.349 -0.894 1
1 468 . 12 1 1 A 43 43 GLY N N 40 108.720 112.060 -3.340 1
1 469 . 12 1 1 A 44 44 TYR H H 41 7.984 7.859 0.125 1
1 470 . 12 1 1 A 44 44 TYR HA H 41 4.609 4.692 -0.083 1
1 477 . 12 1 1 A 44 44 TYR C C 41 175.929 176.264 -0.335 1
1 478 . 12 1 1 A 44 44 TYR CA C 41 57.847 57.643 0.204 1
1 479 . 12 1 1 A 44 44 TYR CB C 41 39.008 38.069 0.939 1
1 482 . 12 1 1 A 44 44 TYR N N 41 120.435 119.787 0.648 1
1 483 . 12 1 1 A 45 45 THR H H 42 8.112 8.106 0.006 1
1 484 . 12 1 1 A 45 45 THR HA H 42 4.281 4.306 -0.025 1
1 486 . 12 1 1 A 45 45 THR C C 42 177.024 175.619 1.405 1
1 487 . 12 1 1 A 45 45 THR CA C 42 61.540 63.951 -2.411 1
1 488 . 12 1 1 A 45 45 THR CB C 42 70.145 68.917 1.228 1
1 489 . 12 1 1 A 45 45 THR N N 42 116.187 116.116 0.071 1
1 490 . 12 1 1 A 46 46 SER H H 43 8.447 7.920 0.527 1
1 491 . 12 1 1 A 46 46 SER N N 43 121.723 115.839 5.884 1
1 492 . 12 1 1 A 47 47 SER HA H 44 4.224 4.321 -0.097 1
1 495 . 12 1 1 A 47 47 SER CA C 44 59.935 60.523 -0.588 1
1 496 . 12 1 1 A 47 47 SER CB C 44 64.763 63.770 0.993 1
1 497 . 12 1 1 A 48 48 SER HA H 45 4.365 4.471 -0.106 1
1 500 . 12 1 1 A 48 48 SER C C 45 174.302 174.916 -0.614 1
1 501 . 12 1 1 A 48 48 SER CA C 45 58.704 59.042 -0.338 1
1 502 . 12 1 1 A 48 48 SER CB C 45 63.564 63.816 -0.252 1
1 503 . 12 1 1 A 49 49 ASP H H 46 8.198 8.745 -0.547 1
1 504 . 12 1 1 A 49 49 ASP HA H 46 4.553 4.428 0.125 1
1 507 . 12 1 1 A 49 49 ASP C C 46 176.211 176.680 -0.469 1
1 508 . 12 1 1 A 49 49 ASP CA C 46 54.572 57.408 -2.836 1
1 509 . 12 1 1 A 49 49 ASP CB C 46 40.971 40.980 -0.009 1
1 510 . 12 1 1 A 49 49 ASP N N 46 121.811 123.471 -1.660 1
1 511 . 12 1 1 A 50 50 MET H H 47 8.089 7.712 0.377 1
1 512 . 12 1 1 A 50 50 MET HA H 47 4.374 4.502 -0.128 1
1 517 . 12 1 1 A 50 50 MET C C 47 176.100 175.556 0.544 1
1 518 . 12 1 1 A 50 50 MET CA C 47 55.595 54.328 1.267 1
1 519 . 12 1 1 A 50 50 MET CB C 47 32.625 34.483 -1.858 1
1 521 . 12 1 1 A 50 50 MET N N 47 120.102 117.153 2.949 1
1 522 . 12 1 1 A 51 51 LYS H H 48 8.198 8.377 -0.179 1
1 523 . 12 1 1 A 51 51 LYS HA H 48 4.343 4.272 0.071 1
1 532 . 12 1 1 A 51 51 LYS C C 48 176.273 176.005 0.268 1
1 533 . 12 1 1 A 51 51 LYS CA C 48 56.158 56.255 -0.097 1
1 534 . 12 1 1 A 51 51 LYS CB C 48 33.042 32.061 0.981 1
1 538 . 12 1 1 A 51 51 LYS N N 48 121.811 118.320 3.491 1
1 539 . 12 1 1 A 52 52 GLN H H 49 8.372 8.475 -0.103 1
1 540 . 12 1 1 A 52 52 GLN HA H 49 4.330 4.197 0.133 1
1 545 . 12 1 1 A 52 52 GLN C C 49 175.303 175.260 0.043 1
1 546 . 12 1 1 A 52 52 GLN CA C 49 55.180 56.343 -1.163 1
1 547 . 12 1 1 A 52 52 GLN CB C 49 30.017 28.936 1.081 1
1 549 . 12 1 1 A 52 52 GLN N N 49 120.928 123.164 -2.236 1
1 550 . 12 1 1 A 53 53 GLN H H 50 8.366 8.347 0.019 1
1 551 . 12 1 1 A 53 53 GLN HA H 50 4.455 4.835 -0.380 1
1 558 . 12 1 1 A 53 53 GLN C C 50 175.616 175.269 0.347 1
1 559 . 12 1 1 A 53 53 GLN CA C 50 55.825 55.222 0.603 1
1 560 . 12 1 1 A 53 53 GLN CB C 50 29.988 28.189 1.799 1
1 562 . 12 1 1 A 53 53 GLN N N 50 122.169 122.627 -0.458 1
1 564 . 12 1 1 A 54 54 VAL H H 51 8.577 7.821 0.756 1
1 565 . 12 1 1 A 54 54 VAL HA H 51 3.999 4.532 -0.533 1
1 570 . 12 1 1 A 54 54 VAL C C 51 174.678 174.990 -0.312 1
1 571 . 12 1 1 A 54 54 VAL CA C 51 62.792 60.268 2.524 1
1 572 . 12 1 1 A 54 54 VAL CB C 51 32.809 33.142 -0.333 1
1 574 . 12 1 1 A 54 54 VAL N N 51 124.540 121.128 3.412 1
1 575 . 12 1 1 A 55 55 LYS H H 52 8.025 8.928 -0.903 1
1 576 . 12 1 1 A 55 55 LYS HA H 52 5.098 5.416 -0.318 1
1 585 . 12 1 1 A 55 55 LYS C C 52 175.397 174.661 0.736 1
1 586 . 12 1 1 A 55 55 LYS CA C 52 55.259 54.477 0.782 1
1 587 . 12 1 1 A 55 55 LYS CB C 52 35.090 36.184 -1.094 1
1 591 . 12 1 1 A 55 55 LYS N N 52 123.649 120.098 3.551 1
1 592 . 12 1 1 A 56 56 LEU H H 53 8.965 9.016 -0.051 1
1 593 . 12 1 1 A 56 56 LEU HA H 53 4.527 5.000 -0.473 1
1 602 . 12 1 1 A 56 56 LEU C C 53 175.272 176.174 -0.902 1
1 603 . 12 1 1 A 56 56 LEU CA C 53 53.385 53.176 0.209 1
1 604 . 12 1 1 A 56 56 LEU CB C 53 45.496 45.674 -0.178 1
1 607 . 12 1 1 A 56 56 LEU N N 53 125.718 124.151 1.567 1
1 608 . 12 1 1 A 57 57 THR H H 54 7.647 8.828 -1.181 1
1 609 . 12 1 1 A 57 57 THR HA H 54 5.197 5.404 -0.207 1
1 614 . 12 1 1 A 57 57 THR C C 54 173.426 173.207 0.219 1
1 615 . 12 1 1 A 57 57 THR CA C 54 60.016 59.950 0.066 1
1 616 . 12 1 1 A 57 57 THR CB C 54 71.074 71.214 -0.140 1
1 618 . 12 1 1 A 57 57 THR N N 54 110.955 112.229 -1.274 1
1 619 . 12 1 1 A 58 58 PHE H H 55 9.240 9.128 0.112 1
1 620 . 12 1 1 A 58 58 PHE HA H 55 4.703 4.914 -0.211 1
1 626 . 12 1 1 A 58 58 PHE C C 55 175.225 176.042 -0.817 1
1 627 . 12 1 1 A 58 58 PHE CA C 55 56.721 56.355 0.366 1
1 628 . 12 1 1 A 58 58 PHE CB C 55 44.606 43.292 1.314 1
1 631 . 12 1 1 A 58 58 PHE N N 55 119.380 119.789 -0.409 1
1 632 . 12 1 1 A 59 59 GLU H H 56 8.828 8.874 -0.046 1
1 633 . 12 1 1 A 59 59 GLU HA H 56 4.390 4.346 0.044 1
1 638 . 12 1 1 A 59 59 GLU C C 56 176.868 176.660 0.208 1
1 639 . 12 1 1 A 59 59 GLU CA C 56 58.849 58.657 0.192 1
1 640 . 12 1 1 A 59 59 GLU CB C 56 30.977 30.904 0.073 1
1 642 . 12 1 1 A 59 59 GLU N N 56 119.209 120.953 -1.744 1
1 643 . 12 1 1 A 60 60 THR H H 57 7.090 7.514 -0.424 1
1 644 . 12 1 1 A 60 60 THR HA H 57 4.538 4.281 0.257 1
1 649 . 12 1 1 A 60 60 THR C C 57 173.113 174.970 -1.857 1
1 650 . 12 1 1 A 60 60 THR CA C 57 58.619 59.427 -0.808 1
1 651 . 12 1 1 A 60 60 THR CB C 57 72.972 72.602 0.370 1
1 653 . 12 1 1 A 60 60 THR N N 57 102.317 110.106 -7.789 1
1 654 . 12 1 1 A 61 61 GLN H H 58 7.590 7.622 -0.032 1
1 655 . 12 1 1 A 61 61 GLN HA H 58 2.307 3.475 -1.168 1
1 662 . 12 1 1 A 61 61 GLN C C 58 177.713 177.222 0.491 1
1 663 . 12 1 1 A 61 61 GLN CA C 58 58.692 58.753 -0.061 1
1 664 . 12 1 1 A 61 61 GLN CB C 58 27.689 27.811 -0.122 1
1 666 . 12 1 1 A 61 61 GLN N N 58 122.133 120.860 1.273 1
1 668 . 12 1 1 A 62 62 GLU H H 59 8.587 8.100 0.487 1
1 669 . 12 1 1 A 62 62 GLU HA H 59 3.673 3.837 -0.164 1
1 674 . 12 1 1 A 62 62 GLU C C 59 179.337 179.308 0.029 1
1 675 . 12 1 1 A 62 62 GLU CA C 59 59.847 59.076 0.771 1
1 676 . 12 1 1 A 62 62 GLU CB C 59 28.578 29.123 -0.545 1
1 678 . 12 1 1 A 62 62 GLU N N 59 117.069 118.443 -1.374 1
1 679 . 12 1 1 A 63 63 GLN H H 60 7.671 7.434 0.237 1
1 680 . 12 1 1 A 63 63 GLN HA H 60 3.812 3.921 -0.109 1
1 687 . 12 1 1 A 63 63 GLN C C 60 178.339 177.406 0.933 1
1 688 . 12 1 1 A 63 63 GLN CA C 60 58.411 58.468 -0.057 1
1 689 . 12 1 1 A 63 63 GLN CB C 60 29.308 28.319 0.989 1
1 691 . 12 1 1 A 63 63 GLN N N 60 118.959 118.633 0.326 1
1 693 . 12 1 1 A 64 64 ALA H H 61 6.836 7.402 -0.566 1
1 694 . 12 1 1 A 64 64 ALA HA H 61 1.982 3.004 -1.022 1
1 698 . 12 1 1 A 64 64 ALA C C 61 178.151 179.173 -1.022 1
1 699 . 12 1 1 A 64 64 ALA CA C 61 54.112 54.229 -0.117 1
1 700 . 12 1 1 A 64 64 ALA CB C 61 18.627 18.170 0.457 1
1 701 . 12 1 1 A 64 64 ALA N N 61 123.296 122.323 0.973 1
1 702 . 12 1 1 A 65 65 GLU H H 62 8.014 8.087 -0.073 1
1 703 . 12 1 1 A 65 65 GLU HA H 62 2.853 3.626 -0.773 1
1 708 . 12 1 1 A 65 65 GLU C C 62 177.901 178.443 -0.542 1
1 709 . 12 1 1 A 65 65 GLU CA C 62 60.601 58.962 1.639 1
1 710 . 12 1 1 A 65 65 GLU CB C 62 30.597 28.608 1.989 1
1 712 . 12 1 1 A 65 65 GLU N N 62 115.643 116.387 -0.744 1
1 713 . 12 1 1 A 66 66 ALA H H 63 7.954 7.770 0.184 1
1 714 . 12 1 1 A 66 66 ALA HA H 63 3.812 3.982 -0.170 1
1 718 . 12 1 1 A 66 66 ALA C C 63 180.245 179.242 1.003 1
1 719 . 12 1 1 A 66 66 ALA CA C 63 54.968 54.751 0.217 1
1 720 . 12 1 1 A 66 66 ALA CB C 63 17.876 18.210 -0.334 1
1 721 . 12 1 1 A 66 66 ALA N N 63 120.250 121.756 -1.506 1
1 722 . 12 1 1 A 67 67 TYR H H 64 7.373 7.381 -0.008 1
1 723 . 12 1 1 A 67 67 TYR HA H 64 3.789 4.084 -0.295 1
1 730 . 12 1 1 A 67 67 TYR C C 64 176.680 176.808 -0.128 1
1 731 . 12 1 1 A 67 67 TYR CA C 64 61.624 61.610 0.014 1
1 732 . 12 1 1 A 67 67 TYR CB C 64 38.947 38.273 0.674 1
1 735 . 12 1 1 A 67 67 TYR N N 64 119.523 119.837 -0.314 1
1 736 . 12 1 1 A 68 68 ALA H H 65 7.653 7.834 -0.181 1
1 737 . 12 1 1 A 68 68 ALA HA H 65 3.608 3.822 -0.214 1
1 741 . 12 1 1 A 68 68 ALA C C 65 179.650 179.771 -0.121 1
1 742 . 12 1 1 A 68 68 ALA CA C 65 55.407 55.191 0.216 1
1 743 . 12 1 1 A 68 68 ALA CB C 65 18.001 17.921 0.080 1
1 744 . 12 1 1 A 68 68 ALA N N 65 120.416 121.472 -1.056 1
1 745 . 12 1 1 A 69 69 GLN H H 66 8.491 8.108 0.383 1
1 746 . 12 1 1 A 69 69 GLN HA H 66 4.150 3.953 0.197 1
1 753 . 12 1 1 A 69 69 GLN C C 66 180.119 178.400 1.719 1
1 754 . 12 1 1 A 69 69 GLN CA C 66 58.639 58.843 -0.204 1
1 755 . 12 1 1 A 69 69 GLN CB C 66 28.035 28.528 -0.493 1
1 757 . 12 1 1 A 69 69 GLN N N 66 115.832 117.355 -1.523 1
1 759 . 12 1 1 A 70 70 ARG H H 67 7.962 7.850 0.112 1
1 760 . 12 1 1 A 70 70 ARG HA H 67 3.991 3.951 0.040 1
1 767 . 12 1 1 A 70 70 ARG C C 67 178.370 177.989 0.381 1
1 768 . 12 1 1 A 70 70 ARG CA C 67 58.849 59.067 -0.218 1
1 769 . 12 1 1 A 70 70 ARG CB C 67 29.735 29.712 0.023 1
1 772 . 12 1 1 A 70 70 ARG N N 67 120.213 120.339 -0.126 1
1 773 . 12 1 1 A 71 71 LYS H H 68 7.506 7.194 0.312 1
1 774 . 12 1 1 A 71 71 LYS HA H 68 4.132 4.174 -0.042 1
1 783 . 12 1 1 A 71 71 LYS C C 68 176.712 176.965 -0.253 1
1 784 . 12 1 1 A 71 71 LYS CA C 68 54.781 55.803 -1.022 1
1 785 . 12 1 1 A 71 71 LYS CB C 68 32.447 33.002 -0.555 1
1 789 . 12 1 1 A 71 71 LYS N N 68 115.757 115.749 0.008 1
1 790 . 12 1 1 A 72 72 GLY H H 69 7.680 7.730 -0.050 1
1 791 . 12 1 1 A 72 72 GLY HA2 H 69 3.887 3.932 -0.045 1
1 792 . 12 1 1 A 72 72 GLY HA3 H 69 3.818 3.939 -0.121 1
1 793 . 12 1 1 A 72 72 GLY C C 69 175.415 174.314 1.101 1
1 794 . 12 1 1 A 72 72 GLY CA C 69 46.621 45.080 1.541 1
1 795 . 12 1 1 A 72 72 GLY N N 69 109.542 105.820 3.722 1
1 796 . 12 1 1 A 73 73 ILE H H 70 8.180 7.396 0.784 1
1 797 . 12 1 1 A 73 73 ILE HA H 70 3.951 3.981 -0.030 1
1 805 . 12 1 1 A 73 73 ILE C C 70 175.835 175.757 0.078 1
1 806 . 12 1 1 A 73 73 ILE CA C 70 60.560 61.198 -0.638 1
1 807 . 12 1 1 A 73 73 ILE CB C 70 40.035 37.830 2.205 1
1 810 . 12 1 1 A 73 73 ILE N N 70 121.234 122.825 -1.591 1
1 811 . 12 1 1 A 74 74 GLU H H 71 8.428 8.471 -0.043 1
1 812 . 12 1 1 A 74 74 GLU HA H 71 4.289 4.271 0.018 1
1 817 . 12 1 1 A 74 74 GLU C C 71 175.460 176.372 -0.912 1
1 818 . 12 1 1 A 74 74 GLU CA C 71 56.533 56.849 -0.316 1
1 819 . 12 1 1 A 74 74 GLU CB C 71 29.683 29.865 -0.182 1
1 821 . 12 1 1 A 74 74 GLU N N 71 129.096 128.105 0.991 1
1 822 . 12 1 1 A 75 75 TYR H H 72 8.004 8.582 -0.578 1
1 823 . 12 1 1 A 75 75 TYR HA H 72 5.805 5.944 -0.139 1
1 830 . 12 1 1 A 75 75 TYR C C 72 173.332 172.535 0.797 1
1 831 . 12 1 1 A 75 75 TYR CA C 72 55.323 55.573 -0.250 1
1 832 . 12 1 1 A 75 75 TYR CB C 72 42.290 42.210 0.080 1
1 835 . 12 1 1 A 75 75 TYR N N 72 120.850 117.953 2.897 1
1 836 . 12 1 1 A 76 76 ARG H H 73 7.936 8.870 -0.934 1
1 837 . 12 1 1 A 76 76 ARG HA H 73 4.656 5.136 -0.480 1
1 844 . 12 1 1 A 76 76 ARG C C 73 174.302 174.975 -0.673 1
1 845 . 12 1 1 A 76 76 ARG CA C 73 53.883 54.205 -0.322 1
1 846 . 12 1 1 A 76 76 ARG CB C 73 32.856 33.903 -1.047 1
1 849 . 12 1 1 A 76 76 ARG N N 73 117.640 121.204 -3.564 1
1 850 . 12 1 1 A 77 77 VAL H H 74 8.859 9.097 -0.238 1
1 851 . 12 1 1 A 77 77 VAL HA H 74 4.885 5.203 -0.318 1
1 859 . 12 1 1 A 77 77 VAL C C 74 176.023 174.816 1.207 1
1 860 . 12 1 1 A 77 77 VAL CA C 74 61.540 60.519 1.021 1
1 861 . 12 1 1 A 77 77 VAL CB C 74 32.377 33.737 -1.360 1
1 864 . 12 1 1 A 77 77 VAL N N 74 124.091 121.038 3.053 1
1 865 . 12 1 1 A 78 78 ILE H H 75 9.282 9.832 -0.550 1
1 866 . 12 1 1 A 78 78 ILE HA H 75 4.297 4.914 -0.617 1
1 876 . 12 1 1 A 78 78 ILE C C 75 175.178 175.507 -0.329 1
1 877 . 12 1 1 A 78 78 ILE CA C 75 59.850 59.803 0.047 1
1 878 . 12 1 1 A 78 78 ILE CB C 75 37.546 41.601 -4.055 1
1 882 . 12 1 1 A 78 78 ILE N N 75 130.317 125.286 5.031 1
1 883 . 12 1 1 A 79 79 LEU H H 76 8.428 8.806 -0.378 1
1 884 . 12 1 1 A 79 79 LEU HA H 76 4.747 4.783 -0.036 1
1 894 . 12 1 1 A 79 79 LEU CA C 76 52.672 53.762 -1.090 1
1 895 . 12 1 1 A 79 79 LEU CB C 76 41.865 41.129 0.736 1
1 899 . 12 1 1 A 79 79 LEU N N 76 128.194 128.292 -0.098 1
1 900 . 12 1 1 A 80 80 PRO HA H 77 4.402 4.464 -0.062 1
1 907 . 12 1 1 A 80 80 PRO C C 77 177.087 177.620 -0.533 1
1 908 . 12 1 1 A 80 80 PRO CA C 77 63.104 62.062 1.042 1
1 909 . 12 1 1 A 80 80 PRO CB C 77 32.145 32.897 -0.752 1
1 912 . 12 1 1 A 81 81 LYS H H 78 8.373 8.595 -0.222 1
1 913 . 12 1 1 A 81 81 LYS HA H 78 4.205 3.986 0.219 1
1 922 . 12 1 1 A 81 81 LYS C C 78 174.200 177.378 -3.178 1
1 923 . 12 1 1 A 81 81 LYS CA C 78 57.050 58.791 -1.741 1
1 924 . 12 1 1 A 81 81 LYS CB C 78 32.750 31.831 0.919 1
1 928 . 12 1 1 A 81 81 LYS N N 78 121.644 122.227 -0.583 1
1 929 . 12 1 1 A 82 82 GLU H H 79 8.452 7.892 0.560 1
1 930 . 12 1 1 A 82 82 GLU HA H 79 4.216 4.470 -0.254 1
1 935 . 12 1 1 A 82 82 GLU C C 79 176.336 176.845 -0.509 1
1 936 . 12 1 1 A 82 82 GLU CA C 79 56.533 57.809 -1.276 1
1 937 . 12 1 1 A 82 82 GLU CB C 79 29.996 31.473 -1.477 1
1 939 . 12 1 1 A 82 82 GLU N N 79 121.461 116.909 4.552 1
1 10 . 13 1 1 A 5 5 SER H H 2 8.403 8.851 -0.448 1
1 11 . 13 1 1 A 5 5 SER HA H 2 5.099 5.804 -0.705 1
1 14 . 13 1 1 A 5 5 SER C C 2 173.833 173.330 0.503 1
1 15 . 13 1 1 A 5 5 SER CA C 2 57.556 56.449 1.107 1
1 16 . 13 1 1 A 5 5 SER CB C 2 65.337 65.353 -0.016 1
1 17 . 13 1 1 A 5 5 SER N N 2 116.747 118.505 -1.758 1
1 18 . 13 1 1 A 6 6 ALA H H 3 8.552 9.384 -0.832 1
1 19 . 13 1 1 A 6 6 ALA HA H 3 5.040 5.610 -0.570 1
1 23 . 13 1 1 A 6 6 ALA C C 3 176.117 177.150 -1.033 1
1 24 . 13 1 1 A 6 6 ALA CA C 3 51.500 50.441 1.059 1
1 25 . 13 1 1 A 6 6 ALA CB C 3 23.991 20.965 3.026 1
1 26 . 13 1 1 A 6 6 ALA N N 3 123.072 127.674 -4.602 1
1 27 . 13 1 1 A 7 7 LYS H H 4 8.706 9.446 -0.740 1
1 28 . 13 1 1 A 7 7 LYS HA H 4 5.428 5.214 0.214 1
1 37 . 13 1 1 A 7 7 LYS C C 4 174.490 175.494 -1.004 1
1 38 . 13 1 1 A 7 7 LYS CA C 4 54.280 55.218 -0.938 1
1 39 . 13 1 1 A 7 7 LYS CB C 4 36.399 34.949 1.450 1
1 43 . 13 1 1 A 7 7 LYS N N 4 117.868 120.518 -2.650 1
1 44 . 13 1 1 A 8 8 ILE H H 5 8.752 8.857 -0.105 1
1 45 . 13 1 1 A 8 8 ILE HA H 5 5.741 5.096 0.645 1
1 55 . 13 1 1 A 8 8 ILE C C 5 174.552 175.120 -0.568 1
1 56 . 13 1 1 A 8 8 ILE CA C 5 59.953 60.679 -0.726 1
1 57 . 13 1 1 A 8 8 ILE CB C 5 41.115 39.128 1.987 1
1 61 . 13 1 1 A 8 8 ILE N N 5 122.521 126.158 -3.637 1
1 62 . 13 1 1 A 9 9 TYR H H 6 8.980 8.910 0.070 1
1 63 . 13 1 1 A 9 9 TYR HA H 6 5.214 5.678 -0.464 1
1 68 . 13 1 1 A 9 9 TYR C C 6 171.856 172.648 -0.792 1
1 69 . 13 1 1 A 9 9 TYR CA C 6 56.053 55.873 0.180 1
1 70 . 13 1 1 A 9 9 TYR CB C 6 40.371 42.049 -1.678 1
1 72 . 13 1 1 A 9 9 TYR N N 6 122.495 124.639 -2.144 1
1 73 . 13 1 1 A 10 10 ARG H H 7 8.830 8.544 0.286 1
1 74 . 13 1 1 A 10 10 ARG HA H 7 4.498 4.672 -0.174 1
1 81 . 13 1 1 A 10 10 ARG CA C 7 51.891 52.876 -0.985 1
1 82 . 13 1 1 A 10 10 ARG CB C 7 30.299 31.713 -1.414 1
1 85 . 13 1 1 A 10 10 ARG N N 7 122.632 120.601 2.031 1
1 86 . 13 1 1 A 11 11 PRO HA H 8 4.369 4.797 -0.428 1
1 93 . 13 1 1 A 11 11 PRO C C 8 176.086 176.852 -0.766 1
1 94 . 13 1 1 A 11 11 PRO CA C 8 62.730 62.306 0.424 1
1 95 . 13 1 1 A 11 11 PRO CB C 8 32.364 33.080 -0.716 1
1 98 . 13 1 1 A 12 12 ALA H H 9 8.384 8.523 -0.139 1
1 99 . 13 1 1 A 12 12 ALA HA H 9 4.193 4.184 0.009 1
1 103 . 13 1 1 A 12 12 ALA C C 9 177.948 177.497 0.451 1
1 104 . 13 1 1 A 12 12 ALA CA C 9 52.406 54.158 -1.752 1
1 105 . 13 1 1 A 12 12 ALA CB C 9 19.441 19.921 -0.480 1
1 106 . 13 1 1 A 12 12 ALA N N 9 124.348 121.840 2.508 1
1 107 . 13 1 1 A 13 13 LYS H H 10 8.242 7.936 0.306 1
1 108 . 13 1 1 A 13 13 LYS HA H 10 4.289 4.977 -0.688 1
1 117 . 13 1 1 A 13 13 LYS C C 10 176.555 174.984 1.571 1
1 118 . 13 1 1 A 13 13 LYS CA C 10 56.345 54.718 1.627 1
1 119 . 13 1 1 A 13 13 LYS CB C 10 33.052 35.843 -2.791 1
1 123 . 13 1 1 A 13 13 LYS N N 10 120.348 115.412 4.936 1
1 124 . 13 1 1 A 14 14 THR H H 11 7.950 8.735 -0.785 1
1 125 . 13 1 1 A 14 14 THR HA H 11 4.320 4.698 -0.378 1
1 130 . 13 1 1 A 14 14 THR C C 11 174.302 172.907 1.395 1
1 131 . 13 1 1 A 14 14 THR CA C 11 61.603 60.185 1.418 1
1 132 . 13 1 1 A 14 14 THR CB C 11 69.699 70.112 -0.413 1
1 134 . 13 1 1 A 14 14 THR N N 11 112.991 115.096 -2.105 1
1 135 . 13 1 1 A 15 15 ALA H H 12 8.189 8.336 -0.147 1
1 136 . 13 1 1 A 15 15 ALA HA H 12 4.250 4.355 -0.105 1
1 140 . 13 1 1 A 15 15 ALA C C 12 177.838 178.767 -0.929 1
1 141 . 13 1 1 A 15 15 ALA CA C 12 52.840 52.350 0.490 1
1 142 . 13 1 1 A 15 15 ALA CB C 12 19.231 18.816 0.415 1
1 143 . 13 1 1 A 15 15 ALA N N 12 125.979 125.945 0.034 1
1 144 . 13 1 1 A 16 16 MET H H 13 8.110 8.722 -0.612 1
1 145 . 13 1 1 A 16 16 MET HA H 13 4.374 4.462 -0.088 1
1 150 . 13 1 1 A 16 16 MET C C 13 176.148 175.473 0.675 1
1 151 . 13 1 1 A 16 16 MET CA C 13 55.595 55.089 0.506 1
1 152 . 13 1 1 A 16 16 MET CB C 13 32.625 32.044 0.581 1
1 154 . 13 1 1 A 16 16 MET N N 13 118.186 121.315 -3.129 1
1 155 . 13 1 1 A 17 17 GLN H H 14 8.198 7.651 0.547 1
1 156 . 13 1 1 A 17 17 GLN HA H 14 4.273 4.660 -0.387 1
1 161 . 13 1 1 A 17 17 GLN C C 14 175.992 175.705 0.287 1
1 162 . 13 1 1 A 17 17 GLN CA C 14 56.032 53.901 2.131 1
1 163 . 13 1 1 A 17 17 GLN CB C 14 29.371 31.730 -2.359 1
1 165 . 13 1 1 A 17 17 GLN N N 14 121.811 117.127 4.684 1
1 166 . 13 1 1 A 18 18 SER H H 15 8.275 8.661 -0.386 1
1 167 . 13 1 1 A 18 18 SER HA H 15 4.379 4.002 0.377 1
1 170 . 13 1 1 A 18 18 SER C C 15 175.053 174.542 0.511 1
1 171 . 13 1 1 A 18 18 SER CA C 15 58.536 61.025 -2.489 1
1 172 . 13 1 1 A 18 18 SER CB C 15 63.856 61.660 2.196 1
1 173 . 13 1 1 A 18 18 SER N N 15 116.768 113.966 2.802 1
1 174 . 13 1 1 A 19 19 GLY H H 16 8.430 8.445 -0.015 1
1 175 . 13 1 1 A 19 19 GLY HA2 H 16 4.031 3.851 0.180 1
1 176 . 13 1 1 A 19 19 GLY HA3 H 16 3.906 3.852 0.054 1
1 177 . 13 1 1 A 19 19 GLY C C 16 174.490 175.004 -0.514 1
1 178 . 13 1 1 A 19 19 GLY CA C 16 45.580 47.067 -1.487 1
1 179 . 13 1 1 A 19 19 GLY N N 16 111.050 108.586 2.464 1
1 180 . 13 1 1 A 20 20 THR H H 17 7.950 7.561 0.389 1
1 181 . 13 1 1 A 20 20 THR HA H 17 4.289 4.489 -0.200 1
1 185 . 13 1 1 A 20 20 THR C C 17 174.427 174.077 0.350 1
1 186 . 13 1 1 A 20 20 THR CA C 17 61.477 60.842 0.635 1
1 188 . 13 1 1 A 20 20 THR N N 17 112.991 113.853 -0.862 1
1 189 . 13 1 1 A 21 21 ALA H H 18 8.247 7.608 0.639 1
1 190 . 13 1 1 A 21 21 ALA N N 18 125.213 124.878 0.335 1
1 191 . 13 1 1 A 22 22 LYS HA H 19 4.265 4.059 0.206 1
1 200 . 13 1 1 A 22 22 LYS C C 19 176.774 176.895 -0.121 1
1 201 . 13 1 1 A 22 22 LYS CA C 19 56.596 59.347 -2.751 1
1 202 . 13 1 1 A 22 22 LYS CB C 19 33.126 32.700 0.426 1
1 206 . 13 1 1 A 23 23 THR H H 20 8.004 7.566 0.438 1
1 207 . 13 1 1 A 23 23 THR HA H 20 4.333 4.724 -0.391 1
1 212 . 13 1 1 A 23 23 THR C C 20 174.083 174.499 -0.416 1
1 213 . 13 1 1 A 23 23 THR CA C 20 61.682 59.815 1.867 1
1 214 . 13 1 1 A 23 23 THR CB C 20 69.908 71.094 -1.186 1
1 216 . 13 1 1 A 23 23 THR N N 20 113.978 110.776 3.202 1
1 217 . 13 1 1 A 24 24 ASN H H 21 8.289 8.563 -0.274 1
1 218 . 13 1 1 A 24 24 ASN HA H 21 4.689 4.807 -0.118 1
1 223 . 13 1 1 A 24 24 ASN C C 21 174.177 175.771 -1.594 1
1 224 . 13 1 1 A 24 24 ASN CA C 21 52.966 53.899 -0.933 1
1 225 . 13 1 1 A 24 24 ASN CB C 21 38.404 38.708 -0.304 1
1 226 . 13 1 1 A 24 24 ASN N N 21 118.085 119.364 -1.279 1
1 228 . 13 1 1 A 25 25 VAL H H 22 7.381 8.743 -1.362 1
1 229 . 13 1 1 A 25 25 VAL HA H 22 4.336 4.987 -0.651 1
1 237 . 13 1 1 A 25 25 VAL C C 22 174.271 175.039 -0.768 1
1 238 . 13 1 1 A 25 25 VAL CA C 22 61.540 59.721 1.819 1
1 239 . 13 1 1 A 25 25 VAL CB C 22 33.771 34.466 -0.695 1
1 242 . 13 1 1 A 25 25 VAL N N 22 115.156 117.422 -2.266 1
1 243 . 13 1 1 A 26 26 TRP H H 23 8.581 9.003 -0.422 1
1 244 . 13 1 1 A 26 26 TRP HA H 23 4.430 5.261 -0.831 1
1 253 . 13 1 1 A 26 26 TRP C C 23 174.803 175.564 -0.761 1
1 254 . 13 1 1 A 26 26 TRP CA C 23 56.721 56.638 0.083 1
1 255 . 13 1 1 A 26 26 TRP CB C 23 30.651 30.582 0.069 1
1 261 . 13 1 1 A 26 26 TRP N N 23 120.570 122.780 -2.210 1
1 263 . 13 1 1 A 27 27 VAL H H 24 9.122 8.862 0.260 1
1 264 . 13 1 1 A 27 27 VAL HA H 24 4.774 4.755 0.019 1
1 272 . 13 1 1 A 27 27 VAL C C 24 173.739 174.010 -0.271 1
1 273 . 13 1 1 A 27 27 VAL CA C 24 60.101 61.424 -1.323 1
1 274 . 13 1 1 A 27 27 VAL CB C 24 34.726 33.141 1.585 1
1 277 . 13 1 1 A 27 27 VAL N N 24 121.265 123.762 -2.497 1
1 278 . 13 1 1 A 28 28 LEU H H 25 8.713 9.083 -0.370 1
1 279 . 13 1 1 A 28 28 LEU HA H 25 5.126 5.473 -0.347 1
1 288 . 13 1 1 A 28 28 LEU C C 25 174.177 174.610 -0.433 1
1 289 . 13 1 1 A 28 28 LEU CA C 25 53.863 53.528 0.335 1
1 290 . 13 1 1 A 28 28 LEU CB C 25 46.227 44.813 1.414 1
1 293 . 13 1 1 A 28 28 LEU N N 25 125.972 129.955 -3.983 1
1 294 . 13 1 1 A 29 29 GLU H H 26 9.283 9.171 0.112 1
1 295 . 13 1 1 A 29 29 GLU HA H 26 5.353 5.690 -0.337 1
1 300 . 13 1 1 A 29 29 GLU C C 26 175.867 175.560 0.307 1
1 301 . 13 1 1 A 29 29 GLU CA C 26 53.883 55.000 -1.117 1
1 302 . 13 1 1 A 29 29 GLU CB C 26 34.594 33.322 1.272 1
1 304 . 13 1 1 A 29 29 GLU N N 26 127.083 128.701 -1.618 1
1 305 . 13 1 1 A 30 30 PHE H H 27 8.761 8.792 -0.031 1
1 306 . 13 1 1 A 30 30 PHE HA H 27 4.797 5.465 -0.668 1
1 313 . 13 1 1 A 30 30 PHE C C 27 174.959 173.486 1.473 1
1 314 . 13 1 1 A 30 30 PHE CA C 27 58.160 55.684 2.476 1
1 315 . 13 1 1 A 30 30 PHE CB C 27 40.218 41.890 -1.672 1
1 318 . 13 1 1 A 30 30 PHE N N 27 125.378 121.461 3.917 1
1 319 . 13 1 1 A 31 31 ASP H H 28 8.705 8.760 -0.055 1
1 320 . 13 1 1 A 31 31 ASP HA H 28 4.735 4.561 0.174 1
1 323 . 13 1 1 A 31 31 ASP C C 28 175.898 175.879 0.019 1
1 324 . 13 1 1 A 31 31 ASP CA C 28 54.468 54.583 -0.115 1
1 325 . 13 1 1 A 31 31 ASP CB C 28 41.529 40.036 1.493 1
1 326 . 13 1 1 A 31 31 ASP N N 28 121.546 120.342 1.204 1
1 327 . 13 1 1 A 32 32 ALA H H 29 8.527 8.293 0.234 1
1 328 . 13 1 1 A 32 32 ALA HA H 29 4.400 3.883 0.517 1
1 332 . 13 1 1 A 32 32 ALA C C 29 177.150 177.799 -0.649 1
1 333 . 13 1 1 A 32 32 ALA CA C 29 52.027 52.213 -0.186 1
1 334 . 13 1 1 A 32 32 ALA CB C 29 20.212 19.044 1.168 1
1 335 . 13 1 1 A 32 32 ALA N N 29 124.632 127.292 -2.660 1
1 336 . 13 1 1 A 33 33 GLU H H 30 8.481 8.890 -0.409 1
1 337 . 13 1 1 A 33 33 GLU HA H 30 4.281 4.347 -0.066 1
1 342 . 13 1 1 A 33 33 GLU C C 30 176.336 175.174 1.162 1
1 343 . 13 1 1 A 33 33 GLU CA C 30 56.309 56.590 -0.281 1
1 344 . 13 1 1 A 33 33 GLU CB C 30 30.309 28.651 1.658 1
1 346 . 13 1 1 A 33 33 GLU N N 30 120.547 121.158 -0.611 1
1 347 . 13 1 1 A 34 34 VAL H H 31 8.140 8.021 0.119 1
1 348 . 13 1 1 A 34 34 VAL HA H 31 4.332 4.651 -0.319 1
1 353 . 13 1 1 A 34 34 VAL CA C 31 60.006 58.427 1.579 1
1 354 . 13 1 1 A 34 34 VAL CB C 31 32.620 34.913 -2.293 1
1 356 . 13 1 1 A 34 34 VAL N N 31 122.541 122.357 0.184 1
1 357 . 13 1 1 A 35 35 PRO HA H 32 4.343 5.129 -0.786 1
1 364 . 13 1 1 A 35 35 PRO C C 32 176.649 177.027 -0.378 1
1 365 . 13 1 1 A 35 35 PRO CA C 32 63.167 62.191 0.976 1
1 366 . 13 1 1 A 35 35 PRO CB C 32 31.999 33.087 -1.088 1
1 369 . 13 1 1 A 36 36 ARG H H 33 8.282 8.776 -0.494 1
1 370 . 13 1 1 A 36 36 ARG HA H 33 4.268 4.269 -0.001 1
1 377 . 13 1 1 A 36 36 ARG C C 33 176.148 176.132 0.016 1
1 378 . 13 1 1 A 36 36 ARG CA C 33 55.845 58.733 -2.888 1
1 379 . 13 1 1 A 36 36 ARG CB C 33 31.061 29.581 1.480 1
1 382 . 13 1 1 A 36 36 ARG N N 33 121.352 119.271 2.081 1
1 383 . 13 1 1 A 37 37 LYS H H 34 8.256 7.603 0.653 1
1 384 . 13 1 1 A 37 37 LYS HA H 34 4.265 4.339 -0.074 1
1 391 . 13 1 1 A 37 37 LYS C C 34 176.054 175.265 0.789 1
1 392 . 13 1 1 A 37 37 LYS CA C 34 56.220 55.123 1.097 1
1 393 . 13 1 1 A 37 37 LYS CB C 34 33.103 31.091 2.012 1
1 396 . 13 1 1 A 37 37 LYS N N 34 122.458 120.730 1.728 1
1 397 . 13 1 1 A 38 38 ILE H H 35 8.066 7.726 0.340 1
1 398 . 13 1 1 A 38 38 ILE HA H 35 4.053 4.646 -0.593 1
1 408 . 13 1 1 A 38 38 ILE C C 35 175.397 175.267 0.130 1
1 409 . 13 1 1 A 38 38 ILE CA C 35 60.560 59.134 1.426 1
1 410 . 13 1 1 A 38 38 ILE CB C 35 38.883 39.248 -0.365 1
1 414 . 13 1 1 A 38 38 ILE N N 35 121.996 121.316 0.680 1
1 415 . 13 1 1 A 39 39 ASP H H 36 8.270 8.512 -0.242 1
1 416 . 13 1 1 A 39 39 ASP HA H 36 4.824 4.672 0.152 1
1 419 . 13 1 1 A 39 39 ASP CA C 36 52.138 52.541 -0.403 1
1 420 . 13 1 1 A 39 39 ASP CB C 36 42.009 40.736 1.273 1
1 421 . 13 1 1 A 39 39 ASP N N 36 126.273 121.911 4.362 1
1 422 . 13 1 1 A 40 40 PRO HA H 37 4.295 4.440 -0.145 1
1 429 . 13 1 1 A 40 40 PRO C C 37 177.275 178.048 -0.773 1
1 430 . 13 1 1 A 40 40 PRO CA C 37 63.731 64.126 -0.395 1
1 431 . 13 1 1 A 40 40 PRO CB C 37 32.135 31.827 0.308 1
1 434 . 13 1 1 A 41 41 ILE H H 38 8.115 7.914 0.201 1
1 435 . 13 1 1 A 41 41 ILE HA H 38 4.030 3.866 0.164 1
1 445 . 13 1 1 A 41 41 ILE C C 38 176.993 177.018 -0.025 1
1 446 . 13 1 1 A 41 41 ILE CA C 38 61.790 64.176 -2.386 1
1 447 . 13 1 1 A 41 41 ILE CB C 38 38.132 37.765 0.367 1
1 451 . 13 1 1 A 41 41 ILE N N 38 119.202 117.169 2.033 1
1 452 . 13 1 1 A 42 42 MET H H 39 8.189 7.462 0.727 1
1 453 . 13 1 1 A 42 42 MET HA H 39 4.351 4.943 -0.592 1
1 458 . 13 1 1 A 42 42 MET C C 39 176.962 177.066 -0.104 1
1 459 . 13 1 1 A 42 42 MET CA C 39 55.532 55.130 0.402 1
1 460 . 13 1 1 A 42 42 MET CB C 39 32.249 33.564 -1.315 1
1 462 . 13 1 1 A 42 42 MET N N 39 120.640 117.733 2.907 1
1 463 . 13 1 1 A 43 43 GLY H H 40 8.105 8.297 -0.192 1
1 464 . 13 1 1 A 43 43 GLY HA2 H 40 3.931 3.962 -0.031 1
1 465 . 13 1 1 A 43 43 GLY HA3 H 40 3.740 3.974 -0.234 1
1 466 . 13 1 1 A 43 43 GLY C C 40 173.707 173.874 -0.167 1
1 467 . 13 1 1 A 43 43 GLY CA C 40 45.455 45.433 0.022 1
1 468 . 13 1 1 A 43 43 GLY N N 40 108.720 108.536 0.184 1
1 469 . 13 1 1 A 44 44 TYR H H 41 7.984 7.747 0.237 1
1 470 . 13 1 1 A 44 44 TYR HA H 41 4.609 4.645 -0.036 1
1 477 . 13 1 1 A 44 44 TYR C C 41 175.929 174.908 1.021 1
1 478 . 13 1 1 A 44 44 TYR CA C 41 57.847 56.739 1.108 1
1 479 . 13 1 1 A 44 44 TYR CB C 41 39.008 37.579 1.429 1
1 482 . 13 1 1 A 44 44 TYR N N 41 120.435 121.720 -1.285 1
1 483 . 13 1 1 A 45 45 THR H H 42 8.112 8.075 0.037 1
1 484 . 13 1 1 A 45 45 THR HA H 42 4.281 4.443 -0.162 1
1 486 . 13 1 1 A 45 45 THR C C 42 177.024 174.271 2.753 1
1 487 . 13 1 1 A 45 45 THR CA C 42 61.540 61.570 -0.030 1
1 488 . 13 1 1 A 45 45 THR CB C 42 70.145 71.167 -1.022 1
1 489 . 13 1 1 A 45 45 THR N N 42 116.187 120.409 -4.222 1
1 490 . 13 1 1 A 46 46 SER H H 43 8.447 8.776 -0.329 1
1 491 . 13 1 1 A 46 46 SER N N 43 121.723 123.808 -2.085 1
1 492 . 13 1 1 A 47 47 SER HA H 44 4.224 4.573 -0.349 1
1 495 . 13 1 1 A 47 47 SER CA C 44 59.935 56.919 3.016 1
1 496 . 13 1 1 A 47 47 SER CB C 44 64.763 63.487 1.276 1
1 497 . 13 1 1 A 48 48 SER HA H 45 4.365 4.514 -0.149 1
1 500 . 13 1 1 A 48 48 SER C C 45 174.302 174.439 -0.137 1
1 501 . 13 1 1 A 48 48 SER CA C 45 58.704 58.011 0.693 1
1 502 . 13 1 1 A 48 48 SER CB C 45 63.564 64.502 -0.938 1
1 503 . 13 1 1 A 49 49 ASP H H 46 8.198 8.644 -0.446 1
1 504 . 13 1 1 A 49 49 ASP HA H 46 4.553 4.604 -0.051 1
1 507 . 13 1 1 A 49 49 ASP C C 46 176.211 177.124 -0.913 1
1 508 . 13 1 1 A 49 49 ASP CA C 46 54.572 54.751 -0.179 1
1 509 . 13 1 1 A 49 49 ASP CB C 46 40.971 40.971 0.000 1
1 510 . 13 1 1 A 49 49 ASP N N 46 121.811 122.063 -0.252 1
1 511 . 13 1 1 A 50 50 MET H H 47 8.089 8.515 -0.426 1
1 512 . 13 1 1 A 50 50 MET HA H 47 4.374 4.243 0.131 1
1 517 . 13 1 1 A 50 50 MET C C 47 176.100 176.336 -0.236 1
1 518 . 13 1 1 A 50 50 MET CA C 47 55.595 58.201 -2.606 1
1 519 . 13 1 1 A 50 50 MET CB C 47 32.625 33.598 -0.973 1
1 521 . 13 1 1 A 50 50 MET N N 47 120.102 122.174 -2.072 1
1 522 . 13 1 1 A 51 51 LYS H H 48 8.198 7.598 0.600 1
1 523 . 13 1 1 A 51 51 LYS HA H 48 4.343 4.914 -0.571 1
1 532 . 13 1 1 A 51 51 LYS C C 48 176.273 174.818 1.455 1
1 533 . 13 1 1 A 51 51 LYS CA C 48 56.158 55.180 0.978 1
1 534 . 13 1 1 A 51 51 LYS CB C 48 33.042 35.966 -2.924 1
1 538 . 13 1 1 A 51 51 LYS N N 48 121.811 112.853 8.958 1
1 539 . 13 1 1 A 52 52 GLN H H 49 8.372 8.597 -0.225 1
1 540 . 13 1 1 A 52 52 GLN HA H 49 4.330 4.822 -0.492 1
1 545 . 13 1 1 A 52 52 GLN C C 49 175.303 174.877 0.426 1
1 546 . 13 1 1 A 52 52 GLN CA C 49 55.180 54.990 0.190 1
1 547 . 13 1 1 A 52 52 GLN CB C 49 30.017 29.349 0.668 1
1 549 . 13 1 1 A 52 52 GLN N N 49 120.928 120.893 0.035 1
1 550 . 13 1 1 A 53 53 GLN H H 50 8.366 8.562 -0.196 1
1 551 . 13 1 1 A 53 53 GLN HA H 50 4.455 4.846 -0.391 1
1 558 . 13 1 1 A 53 53 GLN C C 50 175.616 175.337 0.279 1
1 559 . 13 1 1 A 53 53 GLN CA C 50 55.825 55.367 0.458 1
1 560 . 13 1 1 A 53 53 GLN CB C 50 29.988 28.164 1.824 1
1 562 . 13 1 1 A 53 53 GLN N N 50 122.169 124.499 -2.330 1
1 564 . 13 1 1 A 54 54 VAL H H 51 8.577 7.855 0.722 1
1 565 . 13 1 1 A 54 54 VAL HA H 51 3.999 4.624 -0.625 1
1 570 . 13 1 1 A 54 54 VAL C C 51 174.678 175.145 -0.467 1
1 571 . 13 1 1 A 54 54 VAL CA C 51 62.792 60.183 2.609 1
1 572 . 13 1 1 A 54 54 VAL CB C 51 32.809 33.542 -0.733 1
1 574 . 13 1 1 A 54 54 VAL N N 51 124.540 119.497 5.043 1
1 575 . 13 1 1 A 55 55 LYS H H 52 8.025 9.028 -1.003 1
1 576 . 13 1 1 A 55 55 LYS HA H 52 5.098 5.664 -0.566 1
1 585 . 13 1 1 A 55 55 LYS C C 52 175.397 174.802 0.595 1
1 586 . 13 1 1 A 55 55 LYS CA C 52 55.259 54.398 0.861 1
1 587 . 13 1 1 A 55 55 LYS CB C 52 35.090 36.355 -1.265 1
1 591 . 13 1 1 A 55 55 LYS N N 52 123.649 118.727 4.922 1
1 592 . 13 1 1 A 56 56 LEU H H 53 8.965 8.904 0.061 1
1 593 . 13 1 1 A 56 56 LEU HA H 53 4.527 5.036 -0.509 1
1 602 . 13 1 1 A 56 56 LEU C C 53 175.272 176.120 -0.848 1
1 603 . 13 1 1 A 56 56 LEU CA C 53 53.385 53.232 0.153 1
1 604 . 13 1 1 A 56 56 LEU CB C 53 45.496 45.365 0.131 1
1 607 . 13 1 1 A 56 56 LEU N N 53 125.718 123.441 2.277 1
1 608 . 13 1 1 A 57 57 THR H H 54 7.647 8.795 -1.148 1
1 609 . 13 1 1 A 57 57 THR HA H 54 5.197 5.459 -0.262 1
1 614 . 13 1 1 A 57 57 THR C C 54 173.426 173.350 0.076 1
1 615 . 13 1 1 A 57 57 THR CA C 54 60.016 60.060 -0.044 1
1 616 . 13 1 1 A 57 57 THR CB C 54 71.074 71.010 0.064 1
1 618 . 13 1 1 A 57 57 THR N N 54 110.955 112.580 -1.625 1
1 619 . 13 1 1 A 58 58 PHE H H 55 9.240 9.053 0.187 1
1 620 . 13 1 1 A 58 58 PHE HA H 55 4.703 4.929 -0.226 1
1 626 . 13 1 1 A 58 58 PHE C C 55 175.225 176.187 -0.962 1
1 627 . 13 1 1 A 58 58 PHE CA C 55 56.721 56.346 0.375 1
1 628 . 13 1 1 A 58 58 PHE CB C 55 44.606 43.083 1.523 1
1 631 . 13 1 1 A 58 58 PHE N N 55 119.380 120.467 -1.087 1
1 632 . 13 1 1 A 59 59 GLU H H 56 8.828 8.873 -0.045 1
1 633 . 13 1 1 A 59 59 GLU HA H 56 4.390 4.307 0.083 1
1 638 . 13 1 1 A 59 59 GLU C C 56 176.868 176.774 0.094 1
1 639 . 13 1 1 A 59 59 GLU CA C 56 58.849 59.013 -0.164 1
1 640 . 13 1 1 A 59 59 GLU CB C 56 30.977 30.753 0.224 1
1 642 . 13 1 1 A 59 59 GLU N N 56 119.209 121.278 -2.069 1
1 643 . 13 1 1 A 60 60 THR H H 57 7.090 7.656 -0.566 1
1 644 . 13 1 1 A 60 60 THR HA H 57 4.538 4.727 -0.189 1
1 649 . 13 1 1 A 60 60 THR C C 57 173.113 174.882 -1.769 1
1 650 . 13 1 1 A 60 60 THR CA C 57 58.619 59.457 -0.838 1
1 651 . 13 1 1 A 60 60 THR CB C 57 72.972 72.727 0.245 1
1 653 . 13 1 1 A 60 60 THR N N 57 102.317 110.948 -8.631 1
1 654 . 13 1 1 A 61 61 GLN H H 58 7.590 7.939 -0.349 1
1 655 . 13 1 1 A 61 61 GLN HA H 58 2.307 3.302 -0.995 1
1 662 . 13 1 1 A 61 61 GLN C C 58 177.713 177.260 0.453 1
1 663 . 13 1 1 A 61 61 GLN CA C 58 58.692 58.694 -0.002 1
1 664 . 13 1 1 A 61 61 GLN CB C 58 27.689 27.691 -0.002 1
1 666 . 13 1 1 A 61 61 GLN N N 58 122.133 120.969 1.164 1
1 668 . 13 1 1 A 62 62 GLU H H 59 8.587 8.171 0.416 1
1 669 . 13 1 1 A 62 62 GLU HA H 59 3.673 3.967 -0.294 1
1 674 . 13 1 1 A 62 62 GLU C C 59 179.337 179.273 0.064 1
1 675 . 13 1 1 A 62 62 GLU CA C 59 59.847 59.197 0.650 1
1 676 . 13 1 1 A 62 62 GLU CB C 59 28.578 29.274 -0.696 1
1 678 . 13 1 1 A 62 62 GLU N N 59 117.069 118.059 -0.990 1
1 679 . 13 1 1 A 63 63 GLN H H 60 7.671 7.374 0.297 1
1 680 . 13 1 1 A 63 63 GLN HA H 60 3.812 3.889 -0.077 1
1 687 . 13 1 1 A 63 63 GLN C C 60 178.339 177.696 0.643 1
1 688 . 13 1 1 A 63 63 GLN CA C 60 58.411 58.569 -0.158 1
1 689 . 13 1 1 A 63 63 GLN CB C 60 29.308 28.413 0.895 1
1 691 . 13 1 1 A 63 63 GLN N N 60 118.959 118.628 0.331 1
1 693 . 13 1 1 A 64 64 ALA H H 61 6.836 7.430 -0.594 1
1 694 . 13 1 1 A 64 64 ALA HA H 61 1.982 2.968 -0.986 1
1 698 . 13 1 1 A 64 64 ALA C C 61 178.151 179.347 -1.196 1
1 699 . 13 1 1 A 64 64 ALA CA C 61 54.112 54.397 -0.285 1
1 700 . 13 1 1 A 64 64 ALA CB C 61 18.627 18.115 0.512 1
1 701 . 13 1 1 A 64 64 ALA N N 61 123.296 122.295 1.001 1
1 702 . 13 1 1 A 65 65 GLU H H 62 8.014 8.042 -0.028 1
1 703 . 13 1 1 A 65 65 GLU HA H 62 2.853 3.482 -0.629 1
1 708 . 13 1 1 A 65 65 GLU C C 62 177.901 178.594 -0.693 1
1 709 . 13 1 1 A 65 65 GLU CA C 62 60.601 58.880 1.721 1
1 710 . 13 1 1 A 65 65 GLU CB C 62 30.597 28.652 1.945 1
1 712 . 13 1 1 A 65 65 GLU N N 62 115.643 116.335 -0.692 1
1 713 . 13 1 1 A 66 66 ALA H H 63 7.954 7.740 0.214 1
1 714 . 13 1 1 A 66 66 ALA HA H 63 3.812 4.017 -0.205 1
1 718 . 13 1 1 A 66 66 ALA C C 63 180.245 179.411 0.834 1
1 719 . 13 1 1 A 66 66 ALA CA C 63 54.968 54.719 0.249 1
1 720 . 13 1 1 A 66 66 ALA CB C 63 17.876 17.907 -0.031 1
1 721 . 13 1 1 A 66 66 ALA N N 63 120.250 122.190 -1.940 1
1 722 . 13 1 1 A 67 67 TYR H H 64 7.373 7.404 -0.031 1
1 723 . 13 1 1 A 67 67 TYR HA H 64 3.789 4.019 -0.230 1
1 730 . 13 1 1 A 67 67 TYR C C 64 176.680 176.520 0.160 1
1 731 . 13 1 1 A 67 67 TYR CA C 64 61.624 61.569 0.055 1
1 732 . 13 1 1 A 67 67 TYR CB C 64 38.947 38.452 0.495 1
1 735 . 13 1 1 A 67 67 TYR N N 64 119.523 119.546 -0.023 1
1 736 . 13 1 1 A 68 68 ALA H H 65 7.653 7.760 -0.107 1
1 737 . 13 1 1 A 68 68 ALA HA H 65 3.608 3.745 -0.137 1
1 741 . 13 1 1 A 68 68 ALA C C 65 179.650 179.869 -0.219 1
1 742 . 13 1 1 A 68 68 ALA CA C 65 55.407 55.072 0.335 1
1 743 . 13 1 1 A 68 68 ALA CB C 65 18.001 18.027 -0.026 1
1 744 . 13 1 1 A 68 68 ALA N N 65 120.416 121.455 -1.039 1
1 745 . 13 1 1 A 69 69 GLN H H 66 8.491 8.195 0.296 1
1 746 . 13 1 1 A 69 69 GLN HA H 66 4.150 3.975 0.175 1
1 753 . 13 1 1 A 69 69 GLN C C 66 180.119 178.657 1.462 1
1 754 . 13 1 1 A 69 69 GLN CA C 66 58.639 58.667 -0.028 1
1 755 . 13 1 1 A 69 69 GLN CB C 66 28.035 28.453 -0.418 1
1 757 . 13 1 1 A 69 69 GLN N N 66 115.832 116.765 -0.933 1
1 759 . 13 1 1 A 70 70 ARG H H 67 7.962 7.687 0.275 1
1 760 . 13 1 1 A 70 70 ARG HA H 67 3.991 3.964 0.027 1
1 767 . 13 1 1 A 70 70 ARG C C 67 178.370 177.988 0.382 1
1 768 . 13 1 1 A 70 70 ARG CA C 67 58.849 59.094 -0.245 1
1 769 . 13 1 1 A 70 70 ARG CB C 67 29.735 29.771 -0.036 1
1 772 . 13 1 1 A 70 70 ARG N N 67 120.213 120.598 -0.385 1
1 773 . 13 1 1 A 71 71 LYS H H 68 7.506 7.245 0.261 1
1 774 . 13 1 1 A 71 71 LYS HA H 68 4.132 4.197 -0.065 1
1 783 . 13 1 1 A 71 71 LYS C C 68 176.712 176.973 -0.261 1
1 784 . 13 1 1 A 71 71 LYS CA C 68 54.781 55.836 -1.055 1
1 785 . 13 1 1 A 71 71 LYS CB C 68 32.447 33.063 -0.616 1
1 789 . 13 1 1 A 71 71 LYS N N 68 115.757 115.759 -0.002 1
1 790 . 13 1 1 A 72 72 GLY H H 69 7.680 7.770 -0.090 1
1 791 . 13 1 1 A 72 72 GLY HA2 H 69 3.887 3.955 -0.068 1
1 792 . 13 1 1 A 72 72 GLY HA3 H 69 3.818 3.958 -0.140 1
1 793 . 13 1 1 A 72 72 GLY C C 69 175.415 174.433 0.982 1
1 794 . 13 1 1 A 72 72 GLY CA C 69 46.621 45.097 1.524 1
1 795 . 13 1 1 A 72 72 GLY N N 69 109.542 105.965 3.577 1
1 796 . 13 1 1 A 73 73 ILE H H 70 8.180 7.423 0.757 1
1 797 . 13 1 1 A 73 73 ILE HA H 70 3.951 4.003 -0.052 1
1 805 . 13 1 1 A 73 73 ILE C C 70 175.835 175.732 0.103 1
1 806 . 13 1 1 A 73 73 ILE CA C 70 60.560 61.242 -0.682 1
1 807 . 13 1 1 A 73 73 ILE CB C 70 40.035 37.818 2.217 1
1 810 . 13 1 1 A 73 73 ILE N N 70 121.234 122.955 -1.721 1
1 811 . 13 1 1 A 74 74 GLU H H 71 8.428 8.502 -0.074 1
1 812 . 13 1 1 A 74 74 GLU HA H 71 4.289 4.323 -0.034 1
1 817 . 13 1 1 A 74 74 GLU C C 71 175.460 176.404 -0.944 1
1 818 . 13 1 1 A 74 74 GLU CA C 71 56.533 56.884 -0.351 1
1 819 . 13 1 1 A 74 74 GLU CB C 71 29.683 29.962 -0.279 1
1 821 . 13 1 1 A 74 74 GLU N N 71 129.096 128.136 0.960 1
1 822 . 13 1 1 A 75 75 TYR H H 72 8.004 8.591 -0.587 1
1 823 . 13 1 1 A 75 75 TYR HA H 72 5.805 5.761 0.044 1
1 830 . 13 1 1 A 75 75 TYR C C 72 173.332 172.575 0.757 1
1 831 . 13 1 1 A 75 75 TYR CA C 72 55.323 55.811 -0.488 1
1 832 . 13 1 1 A 75 75 TYR CB C 72 42.290 41.735 0.555 1
1 835 . 13 1 1 A 75 75 TYR N N 72 120.850 117.650 3.200 1
1 836 . 13 1 1 A 76 76 ARG H H 73 7.936 8.472 -0.536 1
1 837 . 13 1 1 A 76 76 ARG HA H 73 4.656 4.939 -0.283 1
1 844 . 13 1 1 A 76 76 ARG C C 73 174.302 174.818 -0.516 1
1 845 . 13 1 1 A 76 76 ARG CA C 73 53.883 54.269 -0.386 1
1 846 . 13 1 1 A 76 76 ARG CB C 73 32.856 34.019 -1.163 1
1 849 . 13 1 1 A 76 76 ARG N N 73 117.640 120.543 -2.903 1
1 850 . 13 1 1 A 77 77 VAL H H 74 8.859 8.887 -0.028 1
1 851 . 13 1 1 A 77 77 VAL HA H 74 4.885 5.250 -0.365 1
1 859 . 13 1 1 A 77 77 VAL C C 74 176.023 174.732 1.291 1
1 860 . 13 1 1 A 77 77 VAL CA C 74 61.540 60.492 1.048 1
1 861 . 13 1 1 A 77 77 VAL CB C 74 32.377 33.702 -1.325 1
1 864 . 13 1 1 A 77 77 VAL N N 74 124.091 120.077 4.014 1
1 865 . 13 1 1 A 78 78 ILE H H 75 9.282 9.518 -0.236 1
1 866 . 13 1 1 A 78 78 ILE HA H 75 4.297 4.814 -0.517 1
1 876 . 13 1 1 A 78 78 ILE C C 75 175.178 176.234 -1.056 1
1 877 . 13 1 1 A 78 78 ILE CA C 75 59.850 60.012 -0.162 1
1 878 . 13 1 1 A 78 78 ILE CB C 75 37.546 40.855 -3.309 1
1 882 . 13 1 1 A 78 78 ILE N N 75 130.317 125.702 4.615 1
1 883 . 13 1 1 A 79 79 LEU H H 76 8.428 8.663 -0.235 1
1 884 . 13 1 1 A 79 79 LEU HA H 76 4.747 4.696 0.051 1
1 894 . 13 1 1 A 79 79 LEU CA C 76 52.672 54.084 -1.412 1
1 895 . 13 1 1 A 79 79 LEU CB C 76 41.865 40.900 0.965 1
1 899 . 13 1 1 A 79 79 LEU N N 76 128.194 127.722 0.472 1
1 900 . 13 1 1 A 80 80 PRO HA H 77 4.402 4.385 0.017 1
1 907 . 13 1 1 A 80 80 PRO C C 77 177.087 177.280 -0.193 1
1 908 . 13 1 1 A 80 80 PRO CA C 77 63.104 62.236 0.868 1
1 909 . 13 1 1 A 80 80 PRO CB C 77 32.145 32.988 -0.843 1
1 912 . 13 1 1 A 81 81 LYS H H 78 8.373 8.400 -0.027 1
1 913 . 13 1 1 A 81 81 LYS HA H 78 4.205 3.966 0.239 1
1 922 . 13 1 1 A 81 81 LYS C C 78 174.200 176.752 -2.552 1
1 923 . 13 1 1 A 81 81 LYS CA C 78 57.050 58.392 -1.342 1
1 924 . 13 1 1 A 81 81 LYS CB C 78 32.750 31.780 0.970 1
1 928 . 13 1 1 A 81 81 LYS N N 78 121.644 121.541 0.103 1
1 929 . 13 1 1 A 82 82 GLU H H 79 8.452 8.222 0.230 1
1 930 . 13 1 1 A 82 82 GLU HA H 79 4.216 4.359 -0.143 1
1 935 . 13 1 1 A 82 82 GLU C C 79 176.336 176.840 -0.504 1
1 936 . 13 1 1 A 82 82 GLU CA C 79 56.533 56.004 0.529 1
1 937 . 13 1 1 A 82 82 GLU CB C 79 29.996 29.098 0.898 1
1 939 . 13 1 1 A 82 82 GLU N N 79 121.461 117.659 3.802 1
1 10 . 14 1 1 A 5 5 SER H H 2 8.403 9.043 -0.640 1
1 11 . 14 1 1 A 5 5 SER HA H 2 5.099 5.575 -0.476 1
1 14 . 14 1 1 A 5 5 SER C C 2 173.833 172.815 1.018 1
1 15 . 14 1 1 A 5 5 SER CA C 2 57.556 57.088 0.468 1
1 16 . 14 1 1 A 5 5 SER CB C 2 65.337 64.952 0.385 1
1 17 . 14 1 1 A 5 5 SER N N 2 116.747 116.679 0.068 1
1 18 . 14 1 1 A 6 6 ALA H H 3 8.552 9.121 -0.569 1
1 19 . 14 1 1 A 6 6 ALA HA H 3 5.040 5.583 -0.543 1
1 23 . 14 1 1 A 6 6 ALA C C 3 176.117 177.064 -0.947 1
1 24 . 14 1 1 A 6 6 ALA CA C 3 51.500 50.449 1.051 1
1 25 . 14 1 1 A 6 6 ALA CB C 3 23.991 21.154 2.837 1
1 26 . 14 1 1 A 6 6 ALA N N 3 123.072 129.587 -6.515 1
1 27 . 14 1 1 A 7 7 LYS H H 4 8.706 9.476 -0.770 1
1 28 . 14 1 1 A 7 7 LYS HA H 4 5.428 5.461 -0.033 1
1 37 . 14 1 1 A 7 7 LYS C C 4 174.490 175.523 -1.033 1
1 38 . 14 1 1 A 7 7 LYS CA C 4 54.280 55.111 -0.831 1
1 39 . 14 1 1 A 7 7 LYS CB C 4 36.399 35.250 1.149 1
1 43 . 14 1 1 A 7 7 LYS N N 4 117.868 120.101 -2.233 1
1 44 . 14 1 1 A 8 8 ILE H H 5 8.752 9.073 -0.321 1
1 45 . 14 1 1 A 8 8 ILE HA H 5 5.741 5.327 0.414 1
1 55 . 14 1 1 A 8 8 ILE C C 5 174.552 175.300 -0.748 1
1 56 . 14 1 1 A 8 8 ILE CA C 5 59.953 60.541 -0.588 1
1 57 . 14 1 1 A 8 8 ILE CB C 5 41.115 39.503 1.612 1
1 61 . 14 1 1 A 8 8 ILE N N 5 122.521 125.392 -2.871 1
1 62 . 14 1 1 A 9 9 TYR H H 6 8.980 8.691 0.289 1
1 63 . 14 1 1 A 9 9 TYR HA H 6 5.214 5.657 -0.443 1
1 68 . 14 1 1 A 9 9 TYR C C 6 171.856 172.468 -0.612 1
1 69 . 14 1 1 A 9 9 TYR CA C 6 56.053 55.947 0.106 1
1 70 . 14 1 1 A 9 9 TYR CB C 6 40.371 41.422 -1.051 1
1 72 . 14 1 1 A 9 9 TYR N N 6 122.495 124.458 -1.963 1
1 73 . 14 1 1 A 10 10 ARG H H 7 8.830 8.588 0.242 1
1 74 . 14 1 1 A 10 10 ARG HA H 7 4.498 4.648 -0.150 1
1 81 . 14 1 1 A 10 10 ARG CA C 7 51.891 52.753 -0.862 1
1 82 . 14 1 1 A 10 10 ARG CB C 7 30.299 31.777 -1.478 1
1 85 . 14 1 1 A 10 10 ARG N N 7 122.632 120.484 2.148 1
1 86 . 14 1 1 A 11 11 PRO HA H 8 4.369 4.811 -0.442 1
1 93 . 14 1 1 A 11 11 PRO C C 8 176.086 177.175 -1.089 1
1 94 . 14 1 1 A 11 11 PRO CA C 8 62.730 62.695 0.035 1
1 95 . 14 1 1 A 11 11 PRO CB C 8 32.364 33.377 -1.013 1
1 98 . 14 1 1 A 12 12 ALA H H 9 8.384 8.504 -0.120 1
1 99 . 14 1 1 A 12 12 ALA HA H 9 4.193 4.113 0.080 1
1 103 . 14 1 1 A 12 12 ALA C C 9 177.948 177.744 0.204 1
1 104 . 14 1 1 A 12 12 ALA CA C 9 52.406 54.738 -2.332 1
1 105 . 14 1 1 A 12 12 ALA CB C 9 19.441 19.611 -0.170 1
1 106 . 14 1 1 A 12 12 ALA N N 9 124.348 122.008 2.340 1
1 107 . 14 1 1 A 13 13 LYS H H 10 8.242 7.795 0.447 1
1 108 . 14 1 1 A 13 13 LYS HA H 10 4.289 4.960 -0.671 1
1 117 . 14 1 1 A 13 13 LYS C C 10 176.555 175.281 1.274 1
1 118 . 14 1 1 A 13 13 LYS CA C 10 56.345 54.973 1.372 1
1 119 . 14 1 1 A 13 13 LYS CB C 10 33.052 34.842 -1.790 1
1 123 . 14 1 1 A 13 13 LYS N N 10 120.348 115.378 4.970 1
1 124 . 14 1 1 A 14 14 THR H H 11 7.950 9.032 -1.082 1
1 125 . 14 1 1 A 14 14 THR HA H 11 4.320 4.810 -0.490 1
1 130 . 14 1 1 A 14 14 THR C C 11 174.302 173.560 0.742 1
1 131 . 14 1 1 A 14 14 THR CA C 11 61.603 61.077 0.526 1
1 132 . 14 1 1 A 14 14 THR CB C 11 69.699 71.188 -1.489 1
1 134 . 14 1 1 A 14 14 THR N N 11 112.991 118.904 -5.913 1
1 135 . 14 1 1 A 15 15 ALA H H 12 8.189 8.780 -0.591 1
1 136 . 14 1 1 A 15 15 ALA HA H 12 4.250 4.481 -0.231 1
1 140 . 14 1 1 A 15 15 ALA C C 12 177.838 177.037 0.801 1
1 141 . 14 1 1 A 15 15 ALA CA C 12 52.840 51.763 1.077 1
1 142 . 14 1 1 A 15 15 ALA CB C 12 19.231 19.523 -0.292 1
1 143 . 14 1 1 A 15 15 ALA N N 12 125.979 129.829 -3.850 1
1 144 . 14 1 1 A 16 16 MET H H 13 8.110 8.691 -0.581 1
1 145 . 14 1 1 A 16 16 MET HA H 13 4.374 4.877 -0.503 1
1 150 . 14 1 1 A 16 16 MET C C 13 176.148 176.223 -0.075 1
1 151 . 14 1 1 A 16 16 MET CA C 13 55.595 54.316 1.279 1
1 152 . 14 1 1 A 16 16 MET CB C 13 32.625 33.651 -1.026 1
1 154 . 14 1 1 A 16 16 MET N N 13 118.186 117.987 0.199 1
1 155 . 14 1 1 A 17 17 GLN H H 14 8.198 9.000 -0.802 1
1 156 . 14 1 1 A 17 17 GLN HA H 14 4.273 4.209 0.064 1
1 161 . 14 1 1 A 17 17 GLN C C 14 175.992 175.871 0.121 1
1 162 . 14 1 1 A 17 17 GLN CA C 14 56.032 57.684 -1.652 1
1 163 . 14 1 1 A 17 17 GLN CB C 14 29.371 30.036 -0.665 1
1 165 . 14 1 1 A 17 17 GLN N N 14 121.811 123.056 -1.245 1
1 166 . 14 1 1 A 18 18 SER H H 15 8.275 7.694 0.581 1
1 167 . 14 1 1 A 18 18 SER HA H 15 4.379 4.646 -0.267 1
1 170 . 14 1 1 A 18 18 SER C C 15 175.053 174.010 1.043 1
1 171 . 14 1 1 A 18 18 SER CA C 15 58.536 57.148 1.388 1
1 172 . 14 1 1 A 18 18 SER CB C 15 63.856 63.612 0.244 1
1 173 . 14 1 1 A 18 18 SER N N 15 116.768 113.461 3.307 1
1 174 . 14 1 1 A 19 19 GLY H H 16 8.430 7.801 0.629 1
1 175 . 14 1 1 A 19 19 GLY HA2 H 16 4.031 3.950 0.081 1
1 176 . 14 1 1 A 19 19 GLY HA3 H 16 3.906 3.950 -0.044 1
1 177 . 14 1 1 A 19 19 GLY C C 16 174.490 175.331 -0.841 1
1 178 . 14 1 1 A 19 19 GLY CA C 16 45.580 46.595 -1.015 1
1 179 . 14 1 1 A 19 19 GLY N N 16 111.050 111.425 -0.375 1
1 180 . 14 1 1 A 20 20 THR H H 17 7.950 8.143 -0.193 1
1 181 . 14 1 1 A 20 20 THR HA H 17 4.289 4.533 -0.244 1
1 185 . 14 1 1 A 20 20 THR C C 17 174.427 173.574 0.853 1
1 186 . 14 1 1 A 20 20 THR CA C 17 61.477 61.396 0.081 1
1 188 . 14 1 1 A 20 20 THR N N 17 112.991 111.883 1.108 1
1 189 . 14 1 1 A 21 21 ALA H H 18 8.247 7.581 0.666 1
1 190 . 14 1 1 A 21 21 ALA N N 18 125.213 123.953 1.260 1
1 191 . 14 1 1 A 22 22 LYS HA H 19 4.265 4.123 0.142 1
1 200 . 14 1 1 A 22 22 LYS C C 19 176.774 177.657 -0.883 1
1 201 . 14 1 1 A 22 22 LYS CA C 19 56.596 58.806 -2.210 1
1 202 . 14 1 1 A 22 22 LYS CB C 19 33.126 32.246 0.880 1
1 206 . 14 1 1 A 23 23 THR H H 20 8.004 7.721 0.283 1
1 207 . 14 1 1 A 23 23 THR HA H 20 4.333 4.625 -0.292 1
1 212 . 14 1 1 A 23 23 THR C C 20 174.083 174.220 -0.137 1
1 213 . 14 1 1 A 23 23 THR CA C 20 61.682 62.174 -0.492 1
1 214 . 14 1 1 A 23 23 THR CB C 20 69.908 69.722 0.186 1
1 216 . 14 1 1 A 23 23 THR N N 20 113.978 107.178 6.800 1
1 217 . 14 1 1 A 24 24 ASN H H 21 8.289 7.731 0.558 1
1 218 . 14 1 1 A 24 24 ASN HA H 21 4.689 5.169 -0.480 1
1 223 . 14 1 1 A 24 24 ASN C C 21 174.177 173.903 0.274 1
1 224 . 14 1 1 A 24 24 ASN CA C 21 52.966 52.423 0.543 1
1 225 . 14 1 1 A 24 24 ASN CB C 21 38.404 42.653 -4.249 1
1 226 . 14 1 1 A 24 24 ASN N N 21 118.085 117.363 0.722 1
1 228 . 14 1 1 A 25 25 VAL H H 22 7.381 8.793 -1.412 1
1 229 . 14 1 1 A 25 25 VAL HA H 22 4.336 5.035 -0.699 1
1 237 . 14 1 1 A 25 25 VAL C C 22 174.271 174.883 -0.612 1
1 238 . 14 1 1 A 25 25 VAL CA C 22 61.540 59.083 2.457 1
1 239 . 14 1 1 A 25 25 VAL CB C 22 33.771 35.477 -1.706 1
1 242 . 14 1 1 A 25 25 VAL N N 22 115.156 116.437 -1.281 1
1 243 . 14 1 1 A 26 26 TRP H H 23 8.581 9.173 -0.592 1
1 244 . 14 1 1 A 26 26 TRP HA H 23 4.430 5.244 -0.814 1
1 253 . 14 1 1 A 26 26 TRP C C 23 174.803 175.617 -0.814 1
1 254 . 14 1 1 A 26 26 TRP CA C 23 56.721 56.822 -0.101 1
1 255 . 14 1 1 A 26 26 TRP CB C 23 30.651 30.747 -0.096 1
1 261 . 14 1 1 A 26 26 TRP N N 23 120.570 122.885 -2.315 1
1 263 . 14 1 1 A 27 27 VAL H H 24 9.122 8.744 0.378 1
1 264 . 14 1 1 A 27 27 VAL HA H 24 4.774 4.775 -0.001 1
1 272 . 14 1 1 A 27 27 VAL C C 24 173.739 174.066 -0.327 1
1 273 . 14 1 1 A 27 27 VAL CA C 24 60.101 61.444 -1.343 1
1 274 . 14 1 1 A 27 27 VAL CB C 24 34.726 33.256 1.470 1
1 277 . 14 1 1 A 27 27 VAL N N 24 121.265 123.327 -2.062 1
1 278 . 14 1 1 A 28 28 LEU H H 25 8.713 9.084 -0.371 1
1 279 . 14 1 1 A 28 28 LEU HA H 25 5.126 5.460 -0.334 1
1 288 . 14 1 1 A 28 28 LEU C C 25 174.177 174.781 -0.604 1
1 289 . 14 1 1 A 28 28 LEU CA C 25 53.863 53.564 0.299 1
1 290 . 14 1 1 A 28 28 LEU CB C 25 46.227 44.733 1.494 1
1 293 . 14 1 1 A 28 28 LEU N N 25 125.972 129.885 -3.913 1
1 294 . 14 1 1 A 29 29 GLU H H 26 9.283 9.187 0.096 1
1 295 . 14 1 1 A 29 29 GLU HA H 26 5.353 5.477 -0.124 1
1 300 . 14 1 1 A 29 29 GLU C C 26 175.867 175.268 0.599 1
1 301 . 14 1 1 A 29 29 GLU CA C 26 53.883 54.819 -0.936 1
1 302 . 14 1 1 A 29 29 GLU CB C 26 34.594 33.276 1.318 1
1 304 . 14 1 1 A 29 29 GLU N N 26 127.083 128.654 -1.571 1
1 305 . 14 1 1 A 30 30 PHE H H 27 8.761 8.604 0.157 1
1 306 . 14 1 1 A 30 30 PHE HA H 27 4.797 5.743 -0.946 1
1 313 . 14 1 1 A 30 30 PHE C C 27 174.959 172.513 2.446 1
1 314 . 14 1 1 A 30 30 PHE CA C 27 58.160 55.300 2.860 1
1 315 . 14 1 1 A 30 30 PHE CB C 27 40.218 42.326 -2.108 1
1 318 . 14 1 1 A 30 30 PHE N N 27 125.378 121.651 3.727 1
1 319 . 14 1 1 A 31 31 ASP H H 28 8.705 8.306 0.399 1
1 320 . 14 1 1 A 31 31 ASP HA H 28 4.735 4.794 -0.059 1
1 323 . 14 1 1 A 31 31 ASP C C 28 175.898 174.879 1.019 1
1 324 . 14 1 1 A 31 31 ASP CA C 28 54.468 53.984 0.484 1
1 325 . 14 1 1 A 31 31 ASP CB C 28 41.529 40.780 0.749 1
1 326 . 14 1 1 A 31 31 ASP N N 28 121.546 121.394 0.152 1
1 327 . 14 1 1 A 32 32 ALA H H 29 8.527 8.315 0.212 1
1 328 . 14 1 1 A 32 32 ALA HA H 29 4.400 4.691 -0.291 1
1 332 . 14 1 1 A 32 32 ALA C C 29 177.150 177.026 0.124 1
1 333 . 14 1 1 A 32 32 ALA CA C 29 52.027 51.962 0.065 1
1 334 . 14 1 1 A 32 32 ALA CB C 29 20.212 18.896 1.316 1
1 335 . 14 1 1 A 32 32 ALA N N 29 124.632 129.555 -4.923 1
1 336 . 14 1 1 A 33 33 GLU H H 30 8.481 8.683 -0.202 1
1 337 . 14 1 1 A 33 33 GLU HA H 30 4.281 4.463 -0.182 1
1 342 . 14 1 1 A 33 33 GLU C C 30 176.336 175.507 0.829 1
1 343 . 14 1 1 A 33 33 GLU CA C 30 56.309 56.301 0.008 1
1 344 . 14 1 1 A 33 33 GLU CB C 30 30.309 29.152 1.157 1
1 346 . 14 1 1 A 33 33 GLU N N 30 120.547 123.918 -3.371 1
1 347 . 14 1 1 A 34 34 VAL H H 31 8.140 8.544 -0.404 1
1 348 . 14 1 1 A 34 34 VAL HA H 31 4.332 4.795 -0.463 1
1 353 . 14 1 1 A 34 34 VAL CA C 31 60.006 58.913 1.093 1
1 354 . 14 1 1 A 34 34 VAL CB C 31 32.620 33.260 -0.640 1
1 356 . 14 1 1 A 34 34 VAL N N 31 122.541 126.287 -3.746 1
1 357 . 14 1 1 A 35 35 PRO HA H 32 4.343 4.791 -0.448 1
1 364 . 14 1 1 A 35 35 PRO C C 32 176.649 176.937 -0.288 1
1 365 . 14 1 1 A 35 35 PRO CA C 32 63.167 62.181 0.986 1
1 366 . 14 1 1 A 35 35 PRO CB C 32 31.999 33.150 -1.151 1
1 369 . 14 1 1 A 36 36 ARG H H 33 8.282 8.786 -0.504 1
1 370 . 14 1 1 A 36 36 ARG HA H 33 4.268 4.057 0.211 1
1 377 . 14 1 1 A 36 36 ARG C C 33 176.148 177.370 -1.222 1
1 378 . 14 1 1 A 36 36 ARG CA C 33 55.845 58.352 -2.507 1
1 379 . 14 1 1 A 36 36 ARG CB C 33 31.061 29.326 1.735 1
1 382 . 14 1 1 A 36 36 ARG N N 33 121.352 118.642 2.710 1
1 383 . 14 1 1 A 37 37 LYS H H 34 8.256 7.942 0.314 1
1 384 . 14 1 1 A 37 37 LYS HA H 34 4.265 4.219 0.046 1
1 391 . 14 1 1 A 37 37 LYS C C 34 176.054 176.748 -0.694 1
1 392 . 14 1 1 A 37 37 LYS CA C 34 56.220 58.096 -1.876 1
1 393 . 14 1 1 A 37 37 LYS CB C 34 33.103 32.072 1.031 1
1 396 . 14 1 1 A 37 37 LYS N N 34 122.458 117.842 4.616 1
1 397 . 14 1 1 A 38 38 ILE H H 35 8.066 7.048 1.018 1
1 398 . 14 1 1 A 38 38 ILE HA H 35 4.053 4.202 -0.149 1
1 408 . 14 1 1 A 38 38 ILE C C 35 175.397 175.634 -0.237 1
1 409 . 14 1 1 A 38 38 ILE CA C 35 60.560 61.298 -0.738 1
1 410 . 14 1 1 A 38 38 ILE CB C 35 38.883 38.012 0.871 1
1 414 . 14 1 1 A 38 38 ILE N N 35 121.996 116.356 5.640 1
1 415 . 14 1 1 A 39 39 ASP H H 36 8.270 8.687 -0.417 1
1 416 . 14 1 1 A 39 39 ASP HA H 36 4.824 4.642 0.182 1
1 419 . 14 1 1 A 39 39 ASP CA C 36 52.138 52.782 -0.644 1
1 420 . 14 1 1 A 39 39 ASP CB C 36 42.009 40.300 1.709 1
1 421 . 14 1 1 A 39 39 ASP N N 36 126.273 127.691 -1.418 1
1 422 . 14 1 1 A 40 40 PRO HA H 37 4.295 4.357 -0.062 1
1 429 . 14 1 1 A 40 40 PRO C C 37 177.275 178.712 -1.437 1
1 430 . 14 1 1 A 40 40 PRO CA C 37 63.731 64.288 -0.557 1
1 431 . 14 1 1 A 40 40 PRO CB C 37 32.135 31.973 0.162 1
1 434 . 14 1 1 A 41 41 ILE H H 38 8.115 8.137 -0.022 1
1 435 . 14 1 1 A 41 41 ILE HA H 38 4.030 3.875 0.155 1
1 445 . 14 1 1 A 41 41 ILE C C 38 176.993 176.019 0.974 1
1 446 . 14 1 1 A 41 41 ILE CA C 38 61.790 63.889 -2.099 1
1 447 . 14 1 1 A 41 41 ILE CB C 38 38.132 37.956 0.176 1
1 451 . 14 1 1 A 41 41 ILE N N 38 119.202 117.945 1.257 1
1 452 . 14 1 1 A 42 42 MET H H 39 8.189 7.954 0.235 1
1 453 . 14 1 1 A 42 42 MET HA H 39 4.351 4.769 -0.418 1
1 458 . 14 1 1 A 42 42 MET C C 39 176.962 175.475 1.487 1
1 459 . 14 1 1 A 42 42 MET CA C 39 55.532 54.078 1.454 1
1 460 . 14 1 1 A 42 42 MET CB C 39 32.249 33.240 -0.991 1
1 462 . 14 1 1 A 42 42 MET N N 39 120.640 119.450 1.190 1
1 463 . 14 1 1 A 43 43 GLY H H 40 8.105 8.804 -0.699 1
1 464 . 14 1 1 A 43 43 GLY HA2 H 40 3.931 4.027 -0.096 1
1 465 . 14 1 1 A 43 43 GLY HA3 H 40 3.740 4.036 -0.296 1
1 466 . 14 1 1 A 43 43 GLY C C 40 173.707 174.295 -0.588 1
1 467 . 14 1 1 A 43 43 GLY CA C 40 45.455 46.596 -1.141 1
1 468 . 14 1 1 A 43 43 GLY N N 40 108.720 112.114 -3.394 1
1 469 . 14 1 1 A 44 44 TYR H H 41 7.984 8.799 -0.815 1
1 470 . 14 1 1 A 44 44 TYR HA H 41 4.609 4.841 -0.232 1
1 477 . 14 1 1 A 44 44 TYR C C 41 175.929 176.061 -0.132 1
1 478 . 14 1 1 A 44 44 TYR CA C 41 57.847 57.778 0.069 1
1 479 . 14 1 1 A 44 44 TYR CB C 41 39.008 39.039 -0.031 1
1 482 . 14 1 1 A 44 44 TYR N N 41 120.435 126.337 -5.902 1
1 483 . 14 1 1 A 45 45 THR H H 42 8.112 8.221 -0.109 1
1 484 . 14 1 1 A 45 45 THR HA H 42 4.281 4.200 0.081 1
1 486 . 14 1 1 A 45 45 THR C C 42 177.024 176.363 0.661 1
1 487 . 14 1 1 A 45 45 THR CA C 42 61.540 64.255 -2.715 1
1 488 . 14 1 1 A 45 45 THR CB C 42 70.145 68.633 1.512 1
1 489 . 14 1 1 A 45 45 THR N N 42 116.187 113.449 2.738 1
1 490 . 14 1 1 A 46 46 SER H H 43 8.447 7.995 0.452 1
1 491 . 14 1 1 A 46 46 SER N N 43 121.723 116.939 4.784 1
1 492 . 14 1 1 A 47 47 SER HA H 44 4.224 4.805 -0.581 1
1 495 . 14 1 1 A 47 47 SER CA C 44 59.935 57.501 2.434 1
1 496 . 14 1 1 A 47 47 SER CB C 44 64.763 64.810 -0.047 1
1 497 . 14 1 1 A 48 48 SER HA H 45 4.365 4.759 -0.394 1
1 500 . 14 1 1 A 48 48 SER C C 45 174.302 172.910 1.392 1
1 501 . 14 1 1 A 48 48 SER CA C 45 58.704 57.122 1.582 1
1 502 . 14 1 1 A 48 48 SER CB C 45 63.564 63.261 0.303 1
1 503 . 14 1 1 A 49 49 ASP H H 46 8.198 8.635 -0.437 1
1 504 . 14 1 1 A 49 49 ASP HA H 46 4.553 4.827 -0.274 1
1 507 . 14 1 1 A 49 49 ASP C C 46 176.211 176.261 -0.050 1
1 508 . 14 1 1 A 49 49 ASP CA C 46 54.572 54.388 0.184 1
1 509 . 14 1 1 A 49 49 ASP CB C 46 40.971 41.764 -0.793 1
1 510 . 14 1 1 A 49 49 ASP N N 46 121.811 126.980 -5.169 1
1 511 . 14 1 1 A 50 50 MET H H 47 8.089 8.677 -0.588 1
1 512 . 14 1 1 A 50 50 MET HA H 47 4.374 4.671 -0.297 1
1 517 . 14 1 1 A 50 50 MET C C 47 176.100 176.266 -0.166 1
1 518 . 14 1 1 A 50 50 MET CA C 47 55.595 54.013 1.582 1
1 519 . 14 1 1 A 50 50 MET CB C 47 32.625 30.904 1.721 1
1 521 . 14 1 1 A 50 50 MET N N 47 120.102 121.673 -1.571 1
1 522 . 14 1 1 A 51 51 LYS H H 48 8.198 8.404 -0.206 1
1 523 . 14 1 1 A 51 51 LYS HA H 48 4.343 4.112 0.231 1
1 532 . 14 1 1 A 51 51 LYS C C 48 176.273 175.630 0.643 1
1 533 . 14 1 1 A 51 51 LYS CA C 48 56.158 58.371 -2.213 1
1 534 . 14 1 1 A 51 51 LYS CB C 48 33.042 31.207 1.835 1
1 538 . 14 1 1 A 51 51 LYS N N 48 121.811 119.899 1.912 1
1 539 . 14 1 1 A 52 52 GLN H H 49 8.372 8.106 0.266 1
1 540 . 14 1 1 A 52 52 GLN HA H 49 4.330 5.060 -0.730 1
1 545 . 14 1 1 A 52 52 GLN C C 49 175.303 173.744 1.559 1
1 546 . 14 1 1 A 52 52 GLN CA C 49 55.180 54.677 0.503 1
1 547 . 14 1 1 A 52 52 GLN CB C 49 30.017 31.240 -1.223 1
1 549 . 14 1 1 A 52 52 GLN N N 49 120.928 117.632 3.296 1
1 550 . 14 1 1 A 53 53 GLN H H 50 8.366 8.737 -0.371 1
1 551 . 14 1 1 A 53 53 GLN HA H 50 4.455 5.374 -0.919 1
1 558 . 14 1 1 A 53 53 GLN C C 50 175.616 173.929 1.687 1
1 559 . 14 1 1 A 53 53 GLN CA C 50 55.825 53.929 1.896 1
1 560 . 14 1 1 A 53 53 GLN CB C 50 29.988 30.906 -0.918 1
1 562 . 14 1 1 A 53 53 GLN N N 50 122.169 118.793 3.376 1
1 564 . 14 1 1 A 54 54 VAL H H 51 8.577 8.501 0.076 1
1 565 . 14 1 1 A 54 54 VAL HA H 51 3.999 5.014 -1.015 1
1 570 . 14 1 1 A 54 54 VAL C C 51 174.678 174.488 0.190 1
1 571 . 14 1 1 A 54 54 VAL CA C 51 62.792 59.239 3.553 1
1 572 . 14 1 1 A 54 54 VAL CB C 51 32.809 34.525 -1.716 1
1 574 . 14 1 1 A 54 54 VAL N N 51 124.540 119.144 5.396 1
1 575 . 14 1 1 A 55 55 LYS H H 52 8.025 9.033 -1.008 1
1 576 . 14 1 1 A 55 55 LYS HA H 52 5.098 5.474 -0.376 1
1 585 . 14 1 1 A 55 55 LYS C C 52 175.397 174.420 0.977 1
1 586 . 14 1 1 A 55 55 LYS CA C 52 55.259 54.442 0.817 1
1 587 . 14 1 1 A 55 55 LYS CB C 52 35.090 36.242 -1.152 1
1 591 . 14 1 1 A 55 55 LYS N N 52 123.649 120.191 3.458 1
1 592 . 14 1 1 A 56 56 LEU H H 53 8.965 8.963 0.002 1
1 593 . 14 1 1 A 56 56 LEU HA H 53 4.527 5.009 -0.482 1
1 602 . 14 1 1 A 56 56 LEU C C 53 175.272 176.088 -0.816 1
1 603 . 14 1 1 A 56 56 LEU CA C 53 53.385 53.319 0.066 1
1 604 . 14 1 1 A 56 56 LEU CB C 53 45.496 45.639 -0.143 1
1 607 . 14 1 1 A 56 56 LEU N N 53 125.718 123.092 2.626 1
1 608 . 14 1 1 A 57 57 THR H H 54 7.647 8.829 -1.182 1
1 609 . 14 1 1 A 57 57 THR HA H 54 5.197 5.493 -0.296 1
1 614 . 14 1 1 A 57 57 THR C C 54 173.426 173.407 0.019 1
1 615 . 14 1 1 A 57 57 THR CA C 54 60.016 60.023 -0.007 1
1 616 . 14 1 1 A 57 57 THR CB C 54 71.074 71.090 -0.016 1
1 618 . 14 1 1 A 57 57 THR N N 54 110.955 112.395 -1.440 1
1 619 . 14 1 1 A 58 58 PHE H H 55 9.240 8.998 0.242 1
1 620 . 14 1 1 A 58 58 PHE HA H 55 4.703 4.948 -0.245 1
1 626 . 14 1 1 A 58 58 PHE C C 55 175.225 176.128 -0.903 1
1 627 . 14 1 1 A 58 58 PHE CA C 55 56.721 56.333 0.388 1
1 628 . 14 1 1 A 58 58 PHE CB C 55 44.606 43.074 1.532 1
1 631 . 14 1 1 A 58 58 PHE N N 55 119.380 120.179 -0.799 1
1 632 . 14 1 1 A 59 59 GLU H H 56 8.828 8.877 -0.049 1
1 633 . 14 1 1 A 59 59 GLU HA H 56 4.390 4.308 0.082 1
1 638 . 14 1 1 A 59 59 GLU C C 56 176.868 176.664 0.204 1
1 639 . 14 1 1 A 59 59 GLU CA C 56 58.849 58.760 0.089 1
1 640 . 14 1 1 A 59 59 GLU CB C 56 30.977 30.759 0.218 1
1 642 . 14 1 1 A 59 59 GLU N N 56 119.209 121.755 -2.546 1
1 643 . 14 1 1 A 60 60 THR H H 57 7.090 7.603 -0.513 1
1 644 . 14 1 1 A 60 60 THR HA H 57 4.538 4.589 -0.051 1
1 649 . 14 1 1 A 60 60 THR C C 57 173.113 174.931 -1.818 1
1 650 . 14 1 1 A 60 60 THR CA C 57 58.619 59.438 -0.819 1
1 651 . 14 1 1 A 60 60 THR CB C 57 72.972 72.675 0.297 1
1 653 . 14 1 1 A 60 60 THR N N 57 102.317 110.228 -7.911 1
1 654 . 14 1 1 A 61 61 GLN H H 58 7.590 7.787 -0.197 1
1 655 . 14 1 1 A 61 61 GLN HA H 58 2.307 3.471 -1.164 1
1 662 . 14 1 1 A 61 61 GLN C C 58 177.713 177.260 0.453 1
1 663 . 14 1 1 A 61 61 GLN CA C 58 58.692 58.867 -0.175 1
1 664 . 14 1 1 A 61 61 GLN CB C 58 27.689 27.555 0.134 1
1 666 . 14 1 1 A 61 61 GLN N N 58 122.133 120.969 1.164 1
1 668 . 14 1 1 A 62 62 GLU H H 59 8.587 8.087 0.500 1
1 669 . 14 1 1 A 62 62 GLU HA H 59 3.673 3.834 -0.161 1
1 674 . 14 1 1 A 62 62 GLU C C 59 179.337 179.308 0.029 1
1 675 . 14 1 1 A 62 62 GLU CA C 59 59.847 59.145 0.702 1
1 676 . 14 1 1 A 62 62 GLU CB C 59 28.578 29.188 -0.610 1
1 678 . 14 1 1 A 62 62 GLU N N 59 117.069 118.561 -1.492 1
1 679 . 14 1 1 A 63 63 GLN H H 60 7.671 7.352 0.319 1
1 680 . 14 1 1 A 63 63 GLN HA H 60 3.812 3.850 -0.038 1
1 687 . 14 1 1 A 63 63 GLN C C 60 178.339 177.717 0.622 1
1 688 . 14 1 1 A 63 63 GLN CA C 60 58.411 58.663 -0.252 1
1 689 . 14 1 1 A 63 63 GLN CB C 60 29.308 28.616 0.692 1
1 691 . 14 1 1 A 63 63 GLN N N 60 118.959 118.687 0.272 1
1 693 . 14 1 1 A 64 64 ALA H H 61 6.836 7.446 -0.610 1
1 694 . 14 1 1 A 64 64 ALA HA H 61 1.982 3.164 -1.182 1
1 698 . 14 1 1 A 64 64 ALA C C 61 178.151 179.199 -1.048 1
1 699 . 14 1 1 A 64 64 ALA CA C 61 54.112 54.617 -0.505 1
1 700 . 14 1 1 A 64 64 ALA CB C 61 18.627 18.181 0.446 1
1 701 . 14 1 1 A 64 64 ALA N N 61 123.296 122.373 0.923 1
1 702 . 14 1 1 A 65 65 GLU H H 62 8.014 7.981 0.033 1
1 703 . 14 1 1 A 65 65 GLU HA H 62 2.853 3.445 -0.592 1
1 708 . 14 1 1 A 65 65 GLU C C 62 177.901 178.689 -0.788 1
1 709 . 14 1 1 A 65 65 GLU CA C 62 60.601 58.952 1.649 1
1 710 . 14 1 1 A 65 65 GLU CB C 62 30.597 28.854 1.743 1
1 712 . 14 1 1 A 65 65 GLU N N 62 115.643 116.233 -0.590 1
1 713 . 14 1 1 A 66 66 ALA H H 63 7.954 7.816 0.138 1
1 714 . 14 1 1 A 66 66 ALA HA H 63 3.812 4.047 -0.235 1
1 718 . 14 1 1 A 66 66 ALA C C 63 180.245 179.492 0.753 1
1 719 . 14 1 1 A 66 66 ALA CA C 63 54.968 54.744 0.224 1
1 720 . 14 1 1 A 66 66 ALA CB C 63 17.876 18.059 -0.183 1
1 721 . 14 1 1 A 66 66 ALA N N 63 120.250 121.746 -1.496 1
1 722 . 14 1 1 A 67 67 TYR H H 64 7.373 7.777 -0.404 1
1 723 . 14 1 1 A 67 67 TYR HA H 64 3.789 4.062 -0.273 1
1 730 . 14 1 1 A 67 67 TYR C C 64 176.680 176.823 -0.143 1
1 731 . 14 1 1 A 67 67 TYR CA C 64 61.624 61.590 0.034 1
1 732 . 14 1 1 A 67 67 TYR CB C 64 38.947 38.449 0.498 1
1 735 . 14 1 1 A 67 67 TYR N N 64 119.523 119.813 -0.290 1
1 736 . 14 1 1 A 68 68 ALA H H 65 7.653 7.656 -0.003 1
1 737 . 14 1 1 A 68 68 ALA HA H 65 3.608 3.642 -0.034 1
1 741 . 14 1 1 A 68 68 ALA C C 65 179.650 179.826 -0.176 1
1 742 . 14 1 1 A 68 68 ALA CA C 65 55.407 55.047 0.360 1
1 743 . 14 1 1 A 68 68 ALA CB C 65 18.001 17.781 0.220 1
1 744 . 14 1 1 A 68 68 ALA N N 65 120.416 121.370 -0.954 1
1 745 . 14 1 1 A 69 69 GLN H H 66 8.491 8.195 0.296 1
1 746 . 14 1 1 A 69 69 GLN HA H 66 4.150 3.974 0.176 1
1 753 . 14 1 1 A 69 69 GLN C C 66 180.119 178.558 1.561 1
1 754 . 14 1 1 A 69 69 GLN CA C 66 58.639 58.999 -0.360 1
1 755 . 14 1 1 A 69 69 GLN CB C 66 28.035 28.592 -0.557 1
1 757 . 14 1 1 A 69 69 GLN N N 66 115.832 117.296 -1.464 1
1 759 . 14 1 1 A 70 70 ARG H H 67 7.962 7.629 0.333 1
1 760 . 14 1 1 A 70 70 ARG HA H 67 3.991 4.031 -0.040 1
1 767 . 14 1 1 A 70 70 ARG C C 67 178.370 177.958 0.412 1
1 768 . 14 1 1 A 70 70 ARG CA C 67 58.849 58.873 -0.024 1
1 769 . 14 1 1 A 70 70 ARG CB C 67 29.735 29.791 -0.056 1
1 772 . 14 1 1 A 70 70 ARG N N 67 120.213 120.409 -0.196 1
1 773 . 14 1 1 A 71 71 LYS H H 68 7.506 7.241 0.265 1
1 774 . 14 1 1 A 71 71 LYS HA H 68 4.132 4.230 -0.098 1
1 783 . 14 1 1 A 71 71 LYS C C 68 176.712 177.153 -0.441 1
1 784 . 14 1 1 A 71 71 LYS CA C 68 54.781 55.842 -1.061 1
1 785 . 14 1 1 A 71 71 LYS CB C 68 32.447 33.056 -0.609 1
1 789 . 14 1 1 A 71 71 LYS N N 68 115.757 115.902 -0.145 1
1 790 . 14 1 1 A 72 72 GLY H H 69 7.680 7.623 0.057 1
1 791 . 14 1 1 A 72 72 GLY HA2 H 69 3.887 3.917 -0.030 1
1 792 . 14 1 1 A 72 72 GLY HA3 H 69 3.818 3.928 -0.110 1
1 793 . 14 1 1 A 72 72 GLY C C 69 175.415 174.440 0.975 1
1 794 . 14 1 1 A 72 72 GLY CA C 69 46.621 45.422 1.199 1
1 795 . 14 1 1 A 72 72 GLY N N 69 109.542 107.172 2.370 1
1 796 . 14 1 1 A 73 73 ILE H H 70 8.180 7.305 0.875 1
1 797 . 14 1 1 A 73 73 ILE HA H 70 3.951 3.932 0.019 1
1 805 . 14 1 1 A 73 73 ILE C C 70 175.835 175.877 -0.042 1
1 806 . 14 1 1 A 73 73 ILE CA C 70 60.560 61.175 -0.615 1
1 807 . 14 1 1 A 73 73 ILE CB C 70 40.035 37.930 2.105 1
1 810 . 14 1 1 A 73 73 ILE N N 70 121.234 122.839 -1.605 1
1 811 . 14 1 1 A 74 74 GLU H H 71 8.428 8.456 -0.028 1
1 812 . 14 1 1 A 74 74 GLU HA H 71 4.289 4.231 0.058 1
1 817 . 14 1 1 A 74 74 GLU C C 71 175.460 176.335 -0.875 1
1 818 . 14 1 1 A 74 74 GLU CA C 71 56.533 56.855 -0.322 1
1 819 . 14 1 1 A 74 74 GLU CB C 71 29.683 29.965 -0.282 1
1 821 . 14 1 1 A 74 74 GLU N N 71 129.096 127.309 1.787 1
1 822 . 14 1 1 A 75 75 TYR H H 72 8.004 8.641 -0.637 1
1 823 . 14 1 1 A 75 75 TYR HA H 72 5.805 5.753 0.052 1
1 830 . 14 1 1 A 75 75 TYR C C 72 173.332 172.964 0.368 1
1 831 . 14 1 1 A 75 75 TYR CA C 72 55.323 55.637 -0.314 1
1 832 . 14 1 1 A 75 75 TYR CB C 72 42.290 42.047 0.243 1
1 835 . 14 1 1 A 75 75 TYR N N 72 120.850 118.420 2.430 1
1 836 . 14 1 1 A 76 76 ARG H H 73 7.936 8.595 -0.659 1
1 837 . 14 1 1 A 76 76 ARG HA H 73 4.656 4.808 -0.152 1
1 844 . 14 1 1 A 76 76 ARG C C 73 174.302 175.324 -1.022 1
1 845 . 14 1 1 A 76 76 ARG CA C 73 53.883 54.760 -0.877 1
1 846 . 14 1 1 A 76 76 ARG CB C 73 32.856 32.532 0.324 1
1 849 . 14 1 1 A 76 76 ARG N N 73 117.640 120.507 -2.867 1
1 850 . 14 1 1 A 77 77 VAL H H 74 8.859 8.728 0.131 1
1 851 . 14 1 1 A 77 77 VAL HA H 74 4.885 4.471 0.414 1
1 859 . 14 1 1 A 77 77 VAL C C 74 176.023 175.655 0.368 1
1 860 . 14 1 1 A 77 77 VAL CA C 74 61.540 62.849 -1.309 1
1 861 . 14 1 1 A 77 77 VAL CB C 74 32.377 31.771 0.606 1
1 864 . 14 1 1 A 77 77 VAL N N 74 124.091 124.430 -0.339 1
1 865 . 14 1 1 A 78 78 ILE H H 75 9.282 9.607 -0.325 1
1 866 . 14 1 1 A 78 78 ILE HA H 75 4.297 4.831 -0.534 1
1 876 . 14 1 1 A 78 78 ILE C C 75 175.178 176.014 -0.836 1
1 877 . 14 1 1 A 78 78 ILE CA C 75 59.850 59.770 0.080 1
1 878 . 14 1 1 A 78 78 ILE CB C 75 37.546 38.840 -1.294 1
1 882 . 14 1 1 A 78 78 ILE N N 75 130.317 129.522 0.795 1
1 883 . 14 1 1 A 79 79 LEU H H 76 8.428 8.742 -0.314 1
1 884 . 14 1 1 A 79 79 LEU HA H 76 4.747 4.673 0.074 1
1 894 . 14 1 1 A 79 79 LEU CA C 76 52.672 53.974 -1.302 1
1 895 . 14 1 1 A 79 79 LEU CB C 76 41.865 41.457 0.408 1
1 899 . 14 1 1 A 79 79 LEU N N 76 128.194 129.423 -1.229 1
1 900 . 14 1 1 A 80 80 PRO HA H 77 4.402 4.425 -0.023 1
1 907 . 14 1 1 A 80 80 PRO C C 77 177.087 177.804 -0.717 1
1 908 . 14 1 1 A 80 80 PRO CA C 77 63.104 62.409 0.695 1
1 909 . 14 1 1 A 80 80 PRO CB C 77 32.145 32.394 -0.249 1
1 912 . 14 1 1 A 81 81 LYS H H 78 8.373 8.565 -0.192 1
1 913 . 14 1 1 A 81 81 LYS HA H 78 4.205 3.972 0.233 1
1 922 . 14 1 1 A 81 81 LYS C C 78 174.200 178.210 -4.010 1
1 923 . 14 1 1 A 81 81 LYS CA C 78 57.050 59.049 -1.999 1
1 924 . 14 1 1 A 81 81 LYS CB C 78 32.750 31.794 0.956 1
1 928 . 14 1 1 A 81 81 LYS N N 78 121.644 122.139 -0.495 1
1 929 . 14 1 1 A 82 82 GLU H H 79 8.452 8.394 0.058 1
1 930 . 14 1 1 A 82 82 GLU HA H 79 4.216 4.138 0.078 1
1 935 . 14 1 1 A 82 82 GLU C C 79 176.336 178.161 -1.825 1
1 936 . 14 1 1 A 82 82 GLU CA C 79 56.533 58.613 -2.080 1
1 937 . 14 1 1 A 82 82 GLU CB C 79 29.996 28.603 1.393 1
1 939 . 14 1 1 A 82 82 GLU N N 79 121.461 119.752 1.709 1
1 10 . 15 1 1 A 5 5 SER H H 2 8.403 8.659 -0.256 1
1 11 . 15 1 1 A 5 5 SER HA H 2 5.099 5.389 -0.290 1
1 14 . 15 1 1 A 5 5 SER C C 2 173.833 173.494 0.339 1
1 15 . 15 1 1 A 5 5 SER CA C 2 57.556 57.948 -0.392 1
1 16 . 15 1 1 A 5 5 SER CB C 2 65.337 64.235 1.102 1
1 17 . 15 1 1 A 5 5 SER N N 2 116.747 119.226 -2.479 1
1 18 . 15 1 1 A 6 6 ALA H H 3 8.552 9.182 -0.630 1
1 19 . 15 1 1 A 6 6 ALA HA H 3 5.040 5.499 -0.459 1
1 23 . 15 1 1 A 6 6 ALA C C 3 176.117 176.973 -0.856 1
1 24 . 15 1 1 A 6 6 ALA CA C 3 51.500 50.451 1.049 1
1 25 . 15 1 1 A 6 6 ALA CB C 3 23.991 20.535 3.456 1
1 26 . 15 1 1 A 6 6 ALA N N 3 123.072 129.811 -6.739 1
1 27 . 15 1 1 A 7 7 LYS H H 4 8.706 9.409 -0.703 1
1 28 . 15 1 1 A 7 7 LYS HA H 4 5.428 5.468 -0.040 1
1 37 . 15 1 1 A 7 7 LYS C C 4 174.490 175.581 -1.091 1
1 38 . 15 1 1 A 7 7 LYS CA C 4 54.280 55.456 -1.176 1
1 39 . 15 1 1 A 7 7 LYS CB C 4 36.399 34.379 2.020 1
1 43 . 15 1 1 A 7 7 LYS N N 4 117.868 121.486 -3.618 1
1 44 . 15 1 1 A 8 8 ILE H H 5 8.752 9.140 -0.388 1
1 45 . 15 1 1 A 8 8 ILE HA H 5 5.741 5.196 0.545 1
1 55 . 15 1 1 A 8 8 ILE C C 5 174.552 175.001 -0.449 1
1 56 . 15 1 1 A 8 8 ILE CA C 5 59.953 60.733 -0.780 1
1 57 . 15 1 1 A 8 8 ILE CB C 5 41.115 38.926 2.189 1
1 61 . 15 1 1 A 8 8 ILE N N 5 122.521 126.279 -3.758 1
1 62 . 15 1 1 A 9 9 TYR H H 6 8.980 8.664 0.316 1
1 63 . 15 1 1 A 9 9 TYR HA H 6 5.214 5.614 -0.400 1
1 68 . 15 1 1 A 9 9 TYR C C 6 171.856 172.611 -0.755 1
1 69 . 15 1 1 A 9 9 TYR CA C 6 56.053 55.982 0.071 1
1 70 . 15 1 1 A 9 9 TYR CB C 6 40.371 41.433 -1.062 1
1 72 . 15 1 1 A 9 9 TYR N N 6 122.495 124.498 -2.003 1
1 73 . 15 1 1 A 10 10 ARG H H 7 8.830 8.593 0.237 1
1 74 . 15 1 1 A 10 10 ARG HA H 7 4.498 4.574 -0.076 1
1 81 . 15 1 1 A 10 10 ARG CA C 7 51.891 52.942 -1.051 1
1 82 . 15 1 1 A 10 10 ARG CB C 7 30.299 31.676 -1.377 1
1 85 . 15 1 1 A 10 10 ARG N N 7 122.632 120.460 2.172 1
1 86 . 15 1 1 A 11 11 PRO HA H 8 4.369 4.608 -0.239 1
1 93 . 15 1 1 A 11 11 PRO C C 8 176.086 177.708 -1.622 1
1 94 . 15 1 1 A 11 11 PRO CA C 8 62.730 62.743 -0.013 1
1 95 . 15 1 1 A 11 11 PRO CB C 8 32.364 32.074 0.290 1
1 98 . 15 1 1 A 12 12 ALA H H 9 8.384 8.515 -0.131 1
1 99 . 15 1 1 A 12 12 ALA HA H 9 4.193 4.069 0.124 1
1 103 . 15 1 1 A 12 12 ALA C C 9 177.948 177.344 0.604 1
1 104 . 15 1 1 A 12 12 ALA CA C 9 52.406 54.552 -2.146 1
1 105 . 15 1 1 A 12 12 ALA CB C 9 19.441 19.312 0.129 1
1 106 . 15 1 1 A 12 12 ALA N N 9 124.348 124.514 -0.166 1
1 107 . 15 1 1 A 13 13 LYS H H 10 8.242 7.684 0.558 1
1 108 . 15 1 1 A 13 13 LYS HA H 10 4.289 4.780 -0.491 1
1 117 . 15 1 1 A 13 13 LYS C C 10 176.555 174.425 2.130 1
1 118 . 15 1 1 A 13 13 LYS CA C 10 56.345 54.937 1.408 1
1 119 . 15 1 1 A 13 13 LYS CB C 10 33.052 36.030 -2.978 1
1 123 . 15 1 1 A 13 13 LYS N N 10 120.348 113.649 6.699 1
1 124 . 15 1 1 A 14 14 THR H H 11 7.950 8.609 -0.659 1
1 125 . 15 1 1 A 14 14 THR HA H 11 4.320 4.857 -0.537 1
1 130 . 15 1 1 A 14 14 THR C C 11 174.302 172.960 1.342 1
1 131 . 15 1 1 A 14 14 THR CA C 11 61.603 60.259 1.344 1
1 132 . 15 1 1 A 14 14 THR CB C 11 69.699 70.386 -0.687 1
1 134 . 15 1 1 A 14 14 THR N N 11 112.991 115.010 -2.019 1
1 135 . 15 1 1 A 15 15 ALA H H 12 8.189 8.596 -0.407 1
1 136 . 15 1 1 A 15 15 ALA HA H 12 4.250 4.403 -0.153 1
1 140 . 15 1 1 A 15 15 ALA C C 12 177.838 177.627 0.211 1
1 141 . 15 1 1 A 15 15 ALA CA C 12 52.840 52.552 0.288 1
1 142 . 15 1 1 A 15 15 ALA CB C 12 19.231 19.364 -0.133 1
1 143 . 15 1 1 A 15 15 ALA N N 12 125.979 126.313 -0.334 1
1 144 . 15 1 1 A 16 16 MET H H 13 8.110 7.743 0.367 1
1 145 . 15 1 1 A 16 16 MET HA H 13 4.374 4.370 0.004 1
1 150 . 15 1 1 A 16 16 MET C C 13 176.148 175.409 0.739 1
1 151 . 15 1 1 A 16 16 MET CA C 13 55.595 54.184 1.411 1
1 152 . 15 1 1 A 16 16 MET CB C 13 32.625 31.339 1.286 1
1 154 . 15 1 1 A 16 16 MET N N 13 118.186 119.740 -1.554 1
1 155 . 15 1 1 A 17 17 GLN H H 14 8.198 8.251 -0.053 1
1 156 . 15 1 1 A 17 17 GLN HA H 14 4.273 4.679 -0.406 1
1 161 . 15 1 1 A 17 17 GLN C C 14 175.992 175.231 0.761 1
1 162 . 15 1 1 A 17 17 GLN CA C 14 56.032 55.805 0.227 1
1 163 . 15 1 1 A 17 17 GLN CB C 14 29.371 29.074 0.297 1
1 165 . 15 1 1 A 17 17 GLN N N 14 121.811 123.921 -2.110 1
1 166 . 15 1 1 A 18 18 SER H H 15 8.275 8.710 -0.435 1
1 167 . 15 1 1 A 18 18 SER HA H 15 4.379 4.671 -0.292 1
1 170 . 15 1 1 A 18 18 SER C C 15 175.053 173.724 1.329 1
1 171 . 15 1 1 A 18 18 SER CA C 15 58.536 56.250 2.286 1
1 172 . 15 1 1 A 18 18 SER CB C 15 63.856 65.081 -1.225 1
1 173 . 15 1 1 A 18 18 SER N N 15 116.768 119.176 -2.408 1
1 174 . 15 1 1 A 19 19 GLY H H 16 8.430 8.784 -0.354 1
1 175 . 15 1 1 A 19 19 GLY HA2 H 16 4.031 3.840 0.191 1
1 176 . 15 1 1 A 19 19 GLY HA3 H 16 3.906 3.840 0.066 1
1 177 . 15 1 1 A 19 19 GLY C C 16 174.490 174.469 0.021 1
1 178 . 15 1 1 A 19 19 GLY CA C 16 45.580 46.125 -0.545 1
1 179 . 15 1 1 A 19 19 GLY N N 16 111.050 110.798 0.252 1
1 180 . 15 1 1 A 20 20 THR H H 17 7.950 7.890 0.060 1
1 181 . 15 1 1 A 20 20 THR HA H 17 4.289 4.430 -0.141 1
1 185 . 15 1 1 A 20 20 THR C C 17 174.427 173.205 1.222 1
1 186 . 15 1 1 A 20 20 THR CA C 17 61.477 60.899 0.578 1
1 188 . 15 1 1 A 20 20 THR N N 17 112.991 112.373 0.618 1
1 189 . 15 1 1 A 21 21 ALA H H 18 8.247 8.150 0.097 1
1 190 . 15 1 1 A 21 21 ALA N N 18 125.213 128.361 -3.148 1
1 191 . 15 1 1 A 22 22 LYS HA H 19 4.265 4.115 0.150 1
1 200 . 15 1 1 A 22 22 LYS C C 19 176.774 175.741 1.033 1
1 201 . 15 1 1 A 22 22 LYS CA C 19 56.596 58.904 -2.308 1
1 202 . 15 1 1 A 22 22 LYS CB C 19 33.126 32.022 1.104 1
1 206 . 15 1 1 A 23 23 THR H H 20 8.004 7.873 0.131 1
1 207 . 15 1 1 A 23 23 THR HA H 20 4.333 4.426 -0.093 1
1 212 . 15 1 1 A 23 23 THR C C 20 174.083 174.209 -0.126 1
1 213 . 15 1 1 A 23 23 THR CA C 20 61.682 61.961 -0.279 1
1 214 . 15 1 1 A 23 23 THR CB C 20 69.908 69.615 0.293 1
1 216 . 15 1 1 A 23 23 THR N N 20 113.978 111.040 2.938 1
1 217 . 15 1 1 A 24 24 ASN H H 21 8.289 8.503 -0.214 1
1 218 . 15 1 1 A 24 24 ASN HA H 21 4.689 5.091 -0.402 1
1 223 . 15 1 1 A 24 24 ASN C C 21 174.177 174.368 -0.191 1
1 224 . 15 1 1 A 24 24 ASN CA C 21 52.966 52.650 0.316 1
1 225 . 15 1 1 A 24 24 ASN CB C 21 38.404 39.683 -1.279 1
1 226 . 15 1 1 A 24 24 ASN N N 21 118.085 123.366 -5.281 1
1 228 . 15 1 1 A 25 25 VAL H H 22 7.381 8.627 -1.246 1
1 229 . 15 1 1 A 25 25 VAL HA H 22 4.336 4.982 -0.646 1
1 237 . 15 1 1 A 25 25 VAL C C 22 174.271 174.060 0.211 1
1 238 . 15 1 1 A 25 25 VAL CA C 22 61.540 59.571 1.969 1
1 239 . 15 1 1 A 25 25 VAL CB C 22 33.771 35.910 -2.139 1
1 242 . 15 1 1 A 25 25 VAL N N 22 115.156 119.391 -4.235 1
1 243 . 15 1 1 A 26 26 TRP H H 23 8.581 9.130 -0.549 1
1 244 . 15 1 1 A 26 26 TRP HA H 23 4.430 5.209 -0.779 1
1 253 . 15 1 1 A 26 26 TRP C C 23 174.803 175.817 -1.014 1
1 254 . 15 1 1 A 26 26 TRP CA C 23 56.721 56.867 -0.146 1
1 255 . 15 1 1 A 26 26 TRP CB C 23 30.651 30.892 -0.241 1
1 261 . 15 1 1 A 26 26 TRP N N 23 120.570 125.723 -5.153 1
1 263 . 15 1 1 A 27 27 VAL H H 24 9.122 8.688 0.434 1
1 264 . 15 1 1 A 27 27 VAL HA H 24 4.774 4.610 0.164 1
1 272 . 15 1 1 A 27 27 VAL C C 24 173.739 173.981 -0.242 1
1 273 . 15 1 1 A 27 27 VAL CA C 24 60.101 61.393 -1.292 1
1 274 . 15 1 1 A 27 27 VAL CB C 24 34.726 33.322 1.404 1
1 277 . 15 1 1 A 27 27 VAL N N 24 121.265 123.016 -1.751 1
1 278 . 15 1 1 A 28 28 LEU H H 25 8.713 9.112 -0.399 1
1 279 . 15 1 1 A 28 28 LEU HA H 25 5.126 5.291 -0.165 1
1 288 . 15 1 1 A 28 28 LEU C C 25 174.177 174.590 -0.413 1
1 289 . 15 1 1 A 28 28 LEU CA C 25 53.863 53.480 0.383 1
1 290 . 15 1 1 A 28 28 LEU CB C 25 46.227 44.691 1.536 1
1 293 . 15 1 1 A 28 28 LEU N N 25 125.972 129.825 -3.853 1
1 294 . 15 1 1 A 29 29 GLU H H 26 9.283 9.131 0.152 1
1 295 . 15 1 1 A 29 29 GLU HA H 26 5.353 5.609 -0.256 1
1 300 . 15 1 1 A 29 29 GLU C C 26 175.867 175.436 0.431 1
1 301 . 15 1 1 A 29 29 GLU CA C 26 53.883 54.807 -0.924 1
1 302 . 15 1 1 A 29 29 GLU CB C 26 34.594 33.278 1.316 1
1 304 . 15 1 1 A 29 29 GLU N N 26 127.083 128.649 -1.566 1
1 305 . 15 1 1 A 30 30 PHE H H 27 8.761 8.889 -0.128 1
1 306 . 15 1 1 A 30 30 PHE HA H 27 4.797 5.443 -0.646 1
1 313 . 15 1 1 A 30 30 PHE C C 27 174.959 173.884 1.075 1
1 314 . 15 1 1 A 30 30 PHE CA C 27 58.160 55.631 2.529 1
1 315 . 15 1 1 A 30 30 PHE CB C 27 40.218 41.861 -1.643 1
1 318 . 15 1 1 A 30 30 PHE N N 27 125.378 121.305 4.073 1
1 319 . 15 1 1 A 31 31 ASP H H 28 8.705 8.859 -0.154 1
1 320 . 15 1 1 A 31 31 ASP HA H 28 4.735 4.507 0.228 1
1 323 . 15 1 1 A 31 31 ASP C C 28 175.898 176.901 -1.003 1
1 324 . 15 1 1 A 31 31 ASP CA C 28 54.468 54.939 -0.471 1
1 325 . 15 1 1 A 31 31 ASP CB C 28 41.529 40.244 1.285 1
1 326 . 15 1 1 A 31 31 ASP N N 28 121.546 120.555 0.991 1
1 327 . 15 1 1 A 32 32 ALA H H 29 8.527 8.252 0.275 1
1 328 . 15 1 1 A 32 32 ALA HA H 29 4.400 3.869 0.531 1
1 332 . 15 1 1 A 32 32 ALA C C 29 177.150 177.451 -0.301 1
1 333 . 15 1 1 A 32 32 ALA CA C 29 52.027 52.914 -0.887 1
1 334 . 15 1 1 A 32 32 ALA CB C 29 20.212 19.301 0.911 1
1 335 . 15 1 1 A 32 32 ALA N N 29 124.632 127.517 -2.885 1
1 336 . 15 1 1 A 33 33 GLU H H 30 8.481 8.693 -0.212 1
1 337 . 15 1 1 A 33 33 GLU HA H 30 4.281 4.549 -0.268 1
1 342 . 15 1 1 A 33 33 GLU C C 30 176.336 175.446 0.890 1
1 343 . 15 1 1 A 33 33 GLU CA C 30 56.309 56.469 -0.160 1
1 344 . 15 1 1 A 33 33 GLU CB C 30 30.309 28.811 1.498 1
1 346 . 15 1 1 A 33 33 GLU N N 30 120.547 122.409 -1.862 1
1 347 . 15 1 1 A 34 34 VAL H H 31 8.140 8.082 0.058 1
1 348 . 15 1 1 A 34 34 VAL HA H 31 4.332 4.663 -0.331 1
1 353 . 15 1 1 A 34 34 VAL CA C 31 60.006 58.242 1.764 1
1 354 . 15 1 1 A 34 34 VAL CB C 31 32.620 35.550 -2.930 1
1 356 . 15 1 1 A 34 34 VAL N N 31 122.541 123.365 -0.824 1
1 357 . 15 1 1 A 35 35 PRO HA H 32 4.343 4.715 -0.372 1
1 364 . 15 1 1 A 35 35 PRO C C 32 176.649 176.794 -0.145 1
1 365 . 15 1 1 A 35 35 PRO CA C 32 63.167 62.395 0.772 1
1 366 . 15 1 1 A 35 35 PRO CB C 32 31.999 33.178 -1.179 1
1 369 . 15 1 1 A 36 36 ARG H H 33 8.282 8.704 -0.422 1
1 370 . 15 1 1 A 36 36 ARG HA H 33 4.268 4.194 0.074 1
1 377 . 15 1 1 A 36 36 ARG C C 33 176.148 176.673 -0.525 1
1 378 . 15 1 1 A 36 36 ARG CA C 33 55.845 57.698 -1.853 1
1 379 . 15 1 1 A 36 36 ARG CB C 33 31.061 29.132 1.929 1
1 382 . 15 1 1 A 36 36 ARG N N 33 121.352 119.131 2.221 1
1 383 . 15 1 1 A 37 37 LYS H H 34 8.256 7.573 0.683 1
1 384 . 15 1 1 A 37 37 LYS HA H 34 4.265 4.506 -0.241 1
1 391 . 15 1 1 A 37 37 LYS C C 34 176.054 174.961 1.093 1
1 392 . 15 1 1 A 37 37 LYS CA C 34 56.220 55.630 0.590 1
1 393 . 15 1 1 A 37 37 LYS CB C 34 33.103 30.549 2.554 1
1 396 . 15 1 1 A 37 37 LYS N N 34 122.458 119.683 2.775 1
1 397 . 15 1 1 A 38 38 ILE H H 35 8.066 8.208 -0.142 1
1 398 . 15 1 1 A 38 38 ILE HA H 35 4.053 5.033 -0.980 1
1 408 . 15 1 1 A 38 38 ILE C C 35 175.397 174.673 0.724 1
1 409 . 15 1 1 A 38 38 ILE CA C 35 60.560 58.281 2.279 1
1 410 . 15 1 1 A 38 38 ILE CB C 35 38.883 41.476 -2.593 1
1 414 . 15 1 1 A 38 38 ILE N N 35 121.996 118.900 3.096 1
1 415 . 15 1 1 A 39 39 ASP H H 36 8.270 8.643 -0.373 1
1 416 . 15 1 1 A 39 39 ASP HA H 36 4.824 4.664 0.160 1
1 419 . 15 1 1 A 39 39 ASP CA C 36 52.138 52.293 -0.155 1
1 420 . 15 1 1 A 39 39 ASP CB C 36 42.009 40.810 1.199 1
1 421 . 15 1 1 A 39 39 ASP N N 36 126.273 122.401 3.872 1
1 422 . 15 1 1 A 40 40 PRO HA H 37 4.295 4.384 -0.089 1
1 429 . 15 1 1 A 40 40 PRO C C 37 177.275 178.653 -1.378 1
1 430 . 15 1 1 A 40 40 PRO CA C 37 63.731 64.395 -0.664 1
1 431 . 15 1 1 A 40 40 PRO CB C 37 32.135 32.047 0.088 1
1 434 . 15 1 1 A 41 41 ILE H H 38 8.115 7.603 0.512 1
1 435 . 15 1 1 A 41 41 ILE HA H 38 4.030 3.933 0.097 1
1 445 . 15 1 1 A 41 41 ILE C C 38 176.993 177.202 -0.209 1
1 446 . 15 1 1 A 41 41 ILE CA C 38 61.790 64.098 -2.308 1
1 447 . 15 1 1 A 41 41 ILE CB C 38 38.132 38.099 0.033 1
1 451 . 15 1 1 A 41 41 ILE N N 38 119.202 116.760 2.442 1
1 452 . 15 1 1 A 42 42 MET H H 39 8.189 7.502 0.687 1
1 453 . 15 1 1 A 42 42 MET HA H 39 4.351 4.778 -0.427 1
1 458 . 15 1 1 A 42 42 MET C C 39 176.962 176.691 0.271 1
1 459 . 15 1 1 A 42 42 MET CA C 39 55.532 55.184 0.348 1
1 460 . 15 1 1 A 42 42 MET CB C 39 32.249 33.707 -1.458 1
1 462 . 15 1 1 A 42 42 MET N N 39 120.640 117.192 3.448 1
1 463 . 15 1 1 A 43 43 GLY H H 40 8.105 8.331 -0.226 1
1 464 . 15 1 1 A 43 43 GLY HA2 H 40 3.931 3.953 -0.022 1
1 465 . 15 1 1 A 43 43 GLY HA3 H 40 3.740 3.977 -0.237 1
1 466 . 15 1 1 A 43 43 GLY C C 40 173.707 174.691 -0.984 1
1 467 . 15 1 1 A 43 43 GLY CA C 40 45.455 46.679 -1.224 1
1 468 . 15 1 1 A 43 43 GLY N N 40 108.720 109.007 -0.287 1
1 469 . 15 1 1 A 44 44 TYR H H 41 7.984 7.691 0.293 1
1 470 . 15 1 1 A 44 44 TYR HA H 41 4.609 4.802 -0.193 1
1 477 . 15 1 1 A 44 44 TYR C C 41 175.929 176.464 -0.535 1
1 478 . 15 1 1 A 44 44 TYR CA C 41 57.847 57.432 0.415 1
1 479 . 15 1 1 A 44 44 TYR CB C 41 39.008 40.450 -1.442 1
1 482 . 15 1 1 A 44 44 TYR N N 41 120.435 117.847 2.588 1
1 483 . 15 1 1 A 45 45 THR H H 42 8.112 7.786 0.326 1
1 484 . 15 1 1 A 45 45 THR HA H 42 4.281 3.888 0.393 1
1 486 . 15 1 1 A 45 45 THR C C 42 177.024 176.780 0.244 1
1 487 . 15 1 1 A 45 45 THR CA C 42 61.540 63.840 -2.300 1
1 488 . 15 1 1 A 45 45 THR CB C 42 70.145 68.583 1.562 1
1 489 . 15 1 1 A 45 45 THR N N 42 116.187 113.753 2.434 1
1 490 . 15 1 1 A 46 46 SER H H 43 8.447 8.182 0.265 1
1 491 . 15 1 1 A 46 46 SER N N 43 121.723 118.534 3.189 1
1 492 . 15 1 1 A 47 47 SER HA H 44 4.224 4.895 -0.671 1
1 495 . 15 1 1 A 47 47 SER CA C 44 59.935 57.141 2.794 1
1 496 . 15 1 1 A 47 47 SER CB C 44 64.763 61.961 2.802 1
1 497 . 15 1 1 A 48 48 SER HA H 45 4.365 4.471 -0.106 1
1 500 . 15 1 1 A 48 48 SER C C 45 174.302 174.552 -0.250 1
1 501 . 15 1 1 A 48 48 SER CA C 45 58.704 61.083 -2.379 1
1 502 . 15 1 1 A 48 48 SER CB C 45 63.564 63.931 -0.367 1
1 503 . 15 1 1 A 49 49 ASP H H 46 8.198 7.806 0.392 1
1 504 . 15 1 1 A 49 49 ASP HA H 46 4.553 4.926 -0.373 1
1 507 . 15 1 1 A 49 49 ASP C C 46 176.211 176.533 -0.322 1
1 508 . 15 1 1 A 49 49 ASP CA C 46 54.572 52.642 1.930 1
1 509 . 15 1 1 A 49 49 ASP CB C 46 40.971 42.141 -1.170 1
1 510 . 15 1 1 A 49 49 ASP N N 46 121.811 117.327 4.484 1
1 511 . 15 1 1 A 50 50 MET H H 47 8.089 8.528 -0.439 1
1 512 . 15 1 1 A 50 50 MET HA H 47 4.374 4.214 0.160 1
1 517 . 15 1 1 A 50 50 MET C C 47 176.100 175.590 0.510 1
1 518 . 15 1 1 A 50 50 MET CA C 47 55.595 58.152 -2.557 1
1 519 . 15 1 1 A 50 50 MET CB C 47 32.625 32.800 -0.175 1
1 521 . 15 1 1 A 50 50 MET N N 47 120.102 117.587 2.515 1
1 522 . 15 1 1 A 51 51 LYS H H 48 8.198 7.591 0.607 1
1 523 . 15 1 1 A 51 51 LYS HA H 48 4.343 4.601 -0.258 1
1 532 . 15 1 1 A 51 51 LYS C C 48 176.273 174.847 1.426 1
1 533 . 15 1 1 A 51 51 LYS CA C 48 56.158 54.735 1.423 1
1 534 . 15 1 1 A 51 51 LYS CB C 48 33.042 34.087 -1.045 1
1 538 . 15 1 1 A 51 51 LYS N N 48 121.811 114.032 7.779 1
1 539 . 15 1 1 A 52 52 GLN H H 49 8.372 8.656 -0.284 1
1 540 . 15 1 1 A 52 52 GLN HA H 49 4.330 5.011 -0.681 1
1 545 . 15 1 1 A 52 52 GLN C C 49 175.303 174.218 1.085 1
1 546 . 15 1 1 A 52 52 GLN CA C 49 55.180 53.845 1.335 1
1 547 . 15 1 1 A 52 52 GLN CB C 49 30.017 30.531 -0.514 1
1 549 . 15 1 1 A 52 52 GLN N N 49 120.928 116.879 4.049 1
1 550 . 15 1 1 A 53 53 GLN H H 50 8.366 8.514 -0.148 1
1 551 . 15 1 1 A 53 53 GLN HA H 50 4.455 4.999 -0.544 1
1 558 . 15 1 1 A 53 53 GLN C C 50 175.616 174.129 1.487 1
1 559 . 15 1 1 A 53 53 GLN CA C 50 55.825 54.447 1.378 1
1 560 . 15 1 1 A 53 53 GLN CB C 50 29.988 31.344 -1.356 1
1 562 . 15 1 1 A 53 53 GLN N N 50 122.169 116.150 6.019 1
1 564 . 15 1 1 A 54 54 VAL H H 51 8.577 8.373 0.204 1
1 565 . 15 1 1 A 54 54 VAL HA H 51 3.999 4.832 -0.833 1
1 570 . 15 1 1 A 54 54 VAL C C 51 174.678 174.033 0.645 1
1 571 . 15 1 1 A 54 54 VAL CA C 51 62.792 59.290 3.502 1
1 572 . 15 1 1 A 54 54 VAL CB C 51 32.809 35.417 -2.608 1
1 574 . 15 1 1 A 54 54 VAL N N 51 124.540 119.477 5.063 1
1 575 . 15 1 1 A 55 55 LYS H H 52 8.025 8.931 -0.906 1
1 576 . 15 1 1 A 55 55 LYS HA H 52 5.098 5.533 -0.435 1
1 585 . 15 1 1 A 55 55 LYS C C 52 175.397 174.886 0.511 1
1 586 . 15 1 1 A 55 55 LYS CA C 52 55.259 54.486 0.773 1
1 587 . 15 1 1 A 55 55 LYS CB C 52 35.090 35.905 -0.815 1
1 591 . 15 1 1 A 55 55 LYS N N 52 123.649 125.651 -2.002 1
1 592 . 15 1 1 A 56 56 LEU H H 53 8.965 9.034 -0.069 1
1 593 . 15 1 1 A 56 56 LEU HA H 53 4.527 5.097 -0.570 1
1 602 . 15 1 1 A 56 56 LEU C C 53 175.272 176.035 -0.763 1
1 603 . 15 1 1 A 56 56 LEU CA C 53 53.385 53.351 0.034 1
1 604 . 15 1 1 A 56 56 LEU CB C 53 45.496 45.146 0.350 1
1 607 . 15 1 1 A 56 56 LEU N N 53 125.718 124.946 0.772 1
1 608 . 15 1 1 A 57 57 THR H H 54 7.647 8.756 -1.109 1
1 609 . 15 1 1 A 57 57 THR HA H 54 5.197 5.791 -0.594 1
1 614 . 15 1 1 A 57 57 THR C C 54 173.426 173.318 0.108 1
1 615 . 15 1 1 A 57 57 THR CA C 54 60.016 59.907 0.109 1
1 616 . 15 1 1 A 57 57 THR CB C 54 71.074 71.062 0.012 1
1 618 . 15 1 1 A 57 57 THR N N 54 110.955 112.925 -1.970 1
1 619 . 15 1 1 A 58 58 PHE H H 55 9.240 8.873 0.367 1
1 620 . 15 1 1 A 58 58 PHE HA H 55 4.703 4.920 -0.217 1
1 626 . 15 1 1 A 58 58 PHE C C 55 175.225 176.050 -0.825 1
1 627 . 15 1 1 A 58 58 PHE CA C 55 56.721 56.359 0.362 1
1 628 . 15 1 1 A 58 58 PHE CB C 55 44.606 43.136 1.470 1
1 631 . 15 1 1 A 58 58 PHE N N 55 119.380 119.750 -0.370 1
1 632 . 15 1 1 A 59 59 GLU H H 56 8.828 8.877 -0.049 1
1 633 . 15 1 1 A 59 59 GLU HA H 56 4.390 4.354 0.036 1
1 638 . 15 1 1 A 59 59 GLU C C 56 176.868 176.653 0.215 1
1 639 . 15 1 1 A 59 59 GLU CA C 56 58.849 58.679 0.170 1
1 640 . 15 1 1 A 59 59 GLU CB C 56 30.977 30.854 0.123 1
1 642 . 15 1 1 A 59 59 GLU N N 56 119.209 121.310 -2.101 1
1 643 . 15 1 1 A 60 60 THR H H 57 7.090 7.532 -0.442 1
1 644 . 15 1 1 A 60 60 THR HA H 57 4.538 4.522 0.016 1
1 649 . 15 1 1 A 60 60 THR C C 57 173.113 174.803 -1.690 1
1 650 . 15 1 1 A 60 60 THR CA C 57 58.619 59.471 -0.852 1
1 651 . 15 1 1 A 60 60 THR CB C 57 72.972 72.677 0.295 1
1 653 . 15 1 1 A 60 60 THR N N 57 102.317 110.101 -7.784 1
1 654 . 15 1 1 A 61 61 GLN H H 58 7.590 7.901 -0.311 1
1 655 . 15 1 1 A 61 61 GLN HA H 58 2.307 3.079 -0.772 1
1 662 . 15 1 1 A 61 61 GLN C C 58 177.713 177.189 0.524 1
1 663 . 15 1 1 A 61 61 GLN CA C 58 58.692 58.666 0.026 1
1 664 . 15 1 1 A 61 61 GLN CB C 58 27.689 27.614 0.075 1
1 666 . 15 1 1 A 61 61 GLN N N 58 122.133 120.894 1.239 1
1 668 . 15 1 1 A 62 62 GLU H H 59 8.587 8.009 0.578 1
1 669 . 15 1 1 A 62 62 GLU HA H 59 3.673 3.860 -0.187 1
1 674 . 15 1 1 A 62 62 GLU C C 59 179.337 179.324 0.013 1
1 675 . 15 1 1 A 62 62 GLU CA C 59 59.847 59.216 0.631 1
1 676 . 15 1 1 A 62 62 GLU CB C 59 28.578 29.052 -0.474 1
1 678 . 15 1 1 A 62 62 GLU N N 59 117.069 118.627 -1.558 1
1 679 . 15 1 1 A 63 63 GLN H H 60 7.671 7.452 0.219 1
1 680 . 15 1 1 A 63 63 GLN HA H 60 3.812 3.916 -0.104 1
1 687 . 15 1 1 A 63 63 GLN C C 60 178.339 177.683 0.656 1
1 688 . 15 1 1 A 63 63 GLN CA C 60 58.411 58.527 -0.116 1
1 689 . 15 1 1 A 63 63 GLN CB C 60 29.308 28.523 0.785 1
1 691 . 15 1 1 A 63 63 GLN N N 60 118.959 119.197 -0.238 1
1 693 . 15 1 1 A 64 64 ALA H H 61 6.836 7.449 -0.613 1
1 694 . 15 1 1 A 64 64 ALA HA H 61 1.982 2.894 -0.912 1
1 698 . 15 1 1 A 64 64 ALA C C 61 178.151 179.353 -1.202 1
1 699 . 15 1 1 A 64 64 ALA CA C 61 54.112 54.318 -0.206 1
1 700 . 15 1 1 A 64 64 ALA CB C 61 18.627 18.032 0.595 1
1 701 . 15 1 1 A 64 64 ALA N N 61 123.296 122.311 0.985 1
1 702 . 15 1 1 A 65 65 GLU H H 62 8.014 8.037 -0.023 1
1 703 . 15 1 1 A 65 65 GLU HA H 62 2.853 3.495 -0.642 1
1 708 . 15 1 1 A 65 65 GLU C C 62 177.901 178.780 -0.879 1
1 709 . 15 1 1 A 65 65 GLU CA C 62 60.601 58.840 1.761 1
1 710 . 15 1 1 A 65 65 GLU CB C 62 30.597 28.762 1.835 1
1 712 . 15 1 1 A 65 65 GLU N N 62 115.643 116.336 -0.693 1
1 713 . 15 1 1 A 66 66 ALA H H 63 7.954 7.660 0.294 1
1 714 . 15 1 1 A 66 66 ALA HA H 63 3.812 3.995 -0.183 1
1 718 . 15 1 1 A 66 66 ALA C C 63 180.245 179.465 0.780 1
1 719 . 15 1 1 A 66 66 ALA CA C 63 54.968 54.710 0.258 1
1 720 . 15 1 1 A 66 66 ALA CB C 63 17.876 17.693 0.183 1
1 721 . 15 1 1 A 66 66 ALA N N 63 120.250 122.450 -2.200 1
1 722 . 15 1 1 A 67 67 TYR H H 64 7.373 7.416 -0.043 1
1 723 . 15 1 1 A 67 67 TYR HA H 64 3.789 4.030 -0.241 1
1 730 . 15 1 1 A 67 67 TYR C C 64 176.680 176.543 0.137 1
1 731 . 15 1 1 A 67 67 TYR CA C 64 61.624 61.646 -0.022 1
1 732 . 15 1 1 A 67 67 TYR CB C 64 38.947 38.532 0.415 1
1 735 . 15 1 1 A 67 67 TYR N N 64 119.523 119.616 -0.093 1
1 736 . 15 1 1 A 68 68 ALA H H 65 7.653 7.657 -0.004 1
1 737 . 15 1 1 A 68 68 ALA HA H 65 3.608 3.770 -0.162 1
1 741 . 15 1 1 A 68 68 ALA C C 65 179.650 179.887 -0.237 1
1 742 . 15 1 1 A 68 68 ALA CA C 65 55.407 55.218 0.189 1
1 743 . 15 1 1 A 68 68 ALA CB C 65 18.001 17.746 0.255 1
1 744 . 15 1 1 A 68 68 ALA N N 65 120.416 121.525 -1.109 1
1 745 . 15 1 1 A 69 69 GLN H H 66 8.491 8.198 0.293 1
1 746 . 15 1 1 A 69 69 GLN HA H 66 4.150 3.995 0.155 1
1 753 . 15 1 1 A 69 69 GLN C C 66 180.119 178.577 1.542 1
1 754 . 15 1 1 A 69 69 GLN CA C 66 58.639 58.697 -0.058 1
1 755 . 15 1 1 A 69 69 GLN CB C 66 28.035 28.479 -0.444 1
1 757 . 15 1 1 A 69 69 GLN N N 66 115.832 116.975 -1.143 1
1 759 . 15 1 1 A 70 70 ARG H H 67 7.962 7.590 0.372 1
1 760 . 15 1 1 A 70 70 ARG HA H 67 3.991 3.962 0.029 1
1 767 . 15 1 1 A 70 70 ARG C C 67 178.370 177.956 0.414 1
1 768 . 15 1 1 A 70 70 ARG CA C 67 58.849 59.072 -0.223 1
1 769 . 15 1 1 A 70 70 ARG CB C 67 29.735 29.913 -0.178 1
1 772 . 15 1 1 A 70 70 ARG N N 67 120.213 120.621 -0.408 1
1 773 . 15 1 1 A 71 71 LYS H H 68 7.506 7.262 0.244 1
1 774 . 15 1 1 A 71 71 LYS HA H 68 4.132 4.209 -0.077 1
1 783 . 15 1 1 A 71 71 LYS C C 68 176.712 177.169 -0.457 1
1 784 . 15 1 1 A 71 71 LYS CA C 68 54.781 55.840 -1.059 1
1 785 . 15 1 1 A 71 71 LYS CB C 68 32.447 33.134 -0.687 1
1 789 . 15 1 1 A 71 71 LYS N N 68 115.757 115.693 0.064 1
1 790 . 15 1 1 A 72 72 GLY H H 69 7.680 7.714 -0.034 1
1 791 . 15 1 1 A 72 72 GLY HA2 H 69 3.887 3.917 -0.030 1
1 792 . 15 1 1 A 72 72 GLY HA3 H 69 3.818 3.927 -0.109 1
1 793 . 15 1 1 A 72 72 GLY C C 69 175.415 174.507 0.908 1
1 794 . 15 1 1 A 72 72 GLY CA C 69 46.621 45.505 1.116 1
1 795 . 15 1 1 A 72 72 GLY N N 69 109.542 107.240 2.302 1
1 796 . 15 1 1 A 73 73 ILE H H 70 8.180 7.409 0.771 1
1 797 . 15 1 1 A 73 73 ILE HA H 70 3.951 3.956 -0.005 1
1 805 . 15 1 1 A 73 73 ILE C C 70 175.835 175.868 -0.033 1
1 806 . 15 1 1 A 73 73 ILE CA C 70 60.560 61.203 -0.643 1
1 807 . 15 1 1 A 73 73 ILE CB C 70 40.035 37.809 2.226 1
1 810 . 15 1 1 A 73 73 ILE N N 70 121.234 122.534 -1.300 1
1 811 . 15 1 1 A 74 74 GLU H H 71 8.428 8.469 -0.041 1
1 812 . 15 1 1 A 74 74 GLU HA H 71 4.289 4.266 0.023 1
1 817 . 15 1 1 A 74 74 GLU C C 71 175.460 176.199 -0.739 1
1 818 . 15 1 1 A 74 74 GLU CA C 71 56.533 56.841 -0.308 1
1 819 . 15 1 1 A 74 74 GLU CB C 71 29.683 29.940 -0.257 1
1 821 . 15 1 1 A 74 74 GLU N N 71 129.096 127.770 1.326 1
1 822 . 15 1 1 A 75 75 TYR H H 72 8.004 8.693 -0.689 1
1 823 . 15 1 1 A 75 75 TYR HA H 72 5.805 5.684 0.121 1
1 830 . 15 1 1 A 75 75 TYR C C 72 173.332 172.363 0.969 1
1 831 . 15 1 1 A 75 75 TYR CA C 72 55.323 55.518 -0.195 1
1 832 . 15 1 1 A 75 75 TYR CB C 72 42.290 41.916 0.374 1
1 835 . 15 1 1 A 75 75 TYR N N 72 120.850 118.355 2.495 1
1 836 . 15 1 1 A 76 76 ARG H H 73 7.936 9.202 -1.266 1
1 837 . 15 1 1 A 76 76 ARG HA H 73 4.656 4.779 -0.123 1
1 844 . 15 1 1 A 76 76 ARG C C 73 174.302 174.977 -0.675 1
1 845 . 15 1 1 A 76 76 ARG CA C 73 53.883 54.698 -0.815 1
1 846 . 15 1 1 A 76 76 ARG CB C 73 32.856 32.881 -0.025 1
1 849 . 15 1 1 A 76 76 ARG N N 73 117.640 122.403 -4.763 1
1 850 . 15 1 1 A 77 77 VAL H H 74 8.859 8.555 0.304 1
1 851 . 15 1 1 A 77 77 VAL HA H 74 4.885 4.563 0.322 1
1 859 . 15 1 1 A 77 77 VAL C C 74 176.023 175.616 0.407 1
1 860 . 15 1 1 A 77 77 VAL CA C 74 61.540 62.630 -1.090 1
1 861 . 15 1 1 A 77 77 VAL CB C 74 32.377 31.939 0.438 1
1 864 . 15 1 1 A 77 77 VAL N N 74 124.091 126.631 -2.540 1
1 865 . 15 1 1 A 78 78 ILE H H 75 9.282 9.651 -0.369 1
1 866 . 15 1 1 A 78 78 ILE HA H 75 4.297 5.015 -0.718 1
1 876 . 15 1 1 A 78 78 ILE C C 75 175.178 175.725 -0.547 1
1 877 . 15 1 1 A 78 78 ILE CA C 75 59.850 59.654 0.196 1
1 878 . 15 1 1 A 78 78 ILE CB C 75 37.546 39.259 -1.713 1
1 882 . 15 1 1 A 78 78 ILE N N 75 130.317 129.258 1.059 1
1 883 . 15 1 1 A 79 79 LEU H H 76 8.428 8.924 -0.496 1
1 884 . 15 1 1 A 79 79 LEU HA H 76 4.747 4.787 -0.040 1
1 894 . 15 1 1 A 79 79 LEU CA C 76 52.672 53.156 -0.484 1
1 895 . 15 1 1 A 79 79 LEU CB C 76 41.865 41.638 0.227 1
1 899 . 15 1 1 A 79 79 LEU N N 76 128.194 128.996 -0.802 1
1 900 . 15 1 1 A 80 80 PRO HA H 77 4.402 4.712 -0.310 1
1 907 . 15 1 1 A 80 80 PRO C C 77 177.087 176.862 0.225 1
1 908 . 15 1 1 A 80 80 PRO CA C 77 63.104 61.997 1.107 1
1 909 . 15 1 1 A 80 80 PRO CB C 77 32.145 32.999 -0.854 1
1 912 . 15 1 1 A 81 81 LYS H H 78 8.373 8.650 -0.277 1
1 913 . 15 1 1 A 81 81 LYS HA H 78 4.205 3.998 0.207 1
1 922 . 15 1 1 A 81 81 LYS C C 78 174.200 177.352 -3.152 1
1 923 . 15 1 1 A 81 81 LYS CA C 78 57.050 58.345 -1.295 1
1 924 . 15 1 1 A 81 81 LYS CB C 78 32.750 31.660 1.090 1
1 928 . 15 1 1 A 81 81 LYS N N 78 121.644 120.362 1.282 1
1 929 . 15 1 1 A 82 82 GLU H H 79 8.452 7.925 0.527 1
1 930 . 15 1 1 A 82 82 GLU HA H 79 4.216 4.527 -0.311 1
1 935 . 15 1 1 A 82 82 GLU C C 79 176.336 176.970 -0.634 1
1 936 . 15 1 1 A 82 82 GLU CA C 79 56.533 58.235 -1.702 1
1 937 . 15 1 1 A 82 82 GLU CB C 79 29.996 30.793 -0.797 1
1 939 . 15 1 1 A 82 82 GLU N N 79 121.461 116.460 5.001 1
1 10 . 16 1 1 A 5 5 SER H H 2 8.403 8.891 -0.488 1
1 11 . 16 1 1 A 5 5 SER HA H 2 5.099 5.552 -0.453 1
1 14 . 16 1 1 A 5 5 SER C C 2 173.833 172.805 1.028 1
1 15 . 16 1 1 A 5 5 SER CA C 2 57.556 57.237 0.319 1
1 16 . 16 1 1 A 5 5 SER CB C 2 65.337 64.589 0.748 1
1 17 . 16 1 1 A 5 5 SER N N 2 116.747 115.579 1.168 1
1 18 . 16 1 1 A 6 6 ALA H H 3 8.552 9.212 -0.660 1
1 19 . 16 1 1 A 6 6 ALA HA H 3 5.040 5.666 -0.626 1
1 23 . 16 1 1 A 6 6 ALA C C 3 176.117 177.121 -1.004 1
1 24 . 16 1 1 A 6 6 ALA CA C 3 51.500 50.531 0.969 1
1 25 . 16 1 1 A 6 6 ALA CB C 3 23.991 21.421 2.570 1
1 26 . 16 1 1 A 6 6 ALA N N 3 123.072 129.826 -6.754 1
1 27 . 16 1 1 A 7 7 LYS H H 4 8.706 9.445 -0.739 1
1 28 . 16 1 1 A 7 7 LYS HA H 4 5.428 5.531 -0.103 1
1 37 . 16 1 1 A 7 7 LYS C C 4 174.490 175.386 -0.896 1
1 38 . 16 1 1 A 7 7 LYS CA C 4 54.280 55.103 -0.823 1
1 39 . 16 1 1 A 7 7 LYS CB C 4 36.399 35.363 1.036 1
1 43 . 16 1 1 A 7 7 LYS N N 4 117.868 119.377 -1.509 1
1 44 . 16 1 1 A 8 8 ILE H H 5 8.752 9.078 -0.326 1
1 45 . 16 1 1 A 8 8 ILE HA H 5 5.741 5.155 0.586 1
1 55 . 16 1 1 A 8 8 ILE C C 5 174.552 175.094 -0.542 1
1 56 . 16 1 1 A 8 8 ILE CA C 5 59.953 60.560 -0.607 1
1 57 . 16 1 1 A 8 8 ILE CB C 5 41.115 39.129 1.986 1
1 61 . 16 1 1 A 8 8 ILE N N 5 122.521 126.128 -3.607 1
1 62 . 16 1 1 A 9 9 TYR H H 6 8.980 8.757 0.223 1
1 63 . 16 1 1 A 9 9 TYR HA H 6 5.214 5.929 -0.715 1
1 68 . 16 1 1 A 9 9 TYR C C 6 171.856 172.356 -0.500 1
1 69 . 16 1 1 A 9 9 TYR CA C 6 56.053 55.895 0.158 1
1 70 . 16 1 1 A 9 9 TYR CB C 6 40.371 41.243 -0.872 1
1 72 . 16 1 1 A 9 9 TYR N N 6 122.495 124.559 -2.064 1
1 73 . 16 1 1 A 10 10 ARG H H 7 8.830 8.482 0.348 1
1 74 . 16 1 1 A 10 10 ARG HA H 7 4.498 4.634 -0.136 1
1 81 . 16 1 1 A 10 10 ARG CA C 7 51.891 52.327 -0.436 1
1 82 . 16 1 1 A 10 10 ARG CB C 7 30.299 31.633 -1.334 1
1 85 . 16 1 1 A 10 10 ARG N N 7 122.632 120.732 1.900 1
1 86 . 16 1 1 A 11 11 PRO HA H 8 4.369 4.711 -0.342 1
1 93 . 16 1 1 A 11 11 PRO C C 8 176.086 177.647 -1.561 1
1 94 . 16 1 1 A 11 11 PRO CA C 8 62.730 62.762 -0.032 1
1 95 . 16 1 1 A 11 11 PRO CB C 8 32.364 31.979 0.385 1
1 98 . 16 1 1 A 12 12 ALA H H 9 8.384 8.568 -0.184 1
1 99 . 16 1 1 A 12 12 ALA HA H 9 4.193 4.129 0.064 1
1 103 . 16 1 1 A 12 12 ALA C C 9 177.948 178.060 -0.112 1
1 104 . 16 1 1 A 12 12 ALA CA C 9 52.406 54.919 -2.513 1
1 105 . 16 1 1 A 12 12 ALA CB C 9 19.441 19.419 0.022 1
1 106 . 16 1 1 A 12 12 ALA N N 9 124.348 126.482 -2.134 1
1 107 . 16 1 1 A 13 13 LYS H H 10 8.242 7.749 0.493 1
1 108 . 16 1 1 A 13 13 LYS HA H 10 4.289 4.610 -0.321 1
1 117 . 16 1 1 A 13 13 LYS C C 10 176.555 175.591 0.964 1
1 118 . 16 1 1 A 13 13 LYS CA C 10 56.345 55.657 0.688 1
1 119 . 16 1 1 A 13 13 LYS CB C 10 33.052 33.027 0.025 1
1 123 . 16 1 1 A 13 13 LYS N N 10 120.348 116.009 4.339 1
1 124 . 16 1 1 A 14 14 THR H H 11 7.950 8.854 -0.904 1
1 125 . 16 1 1 A 14 14 THR HA H 11 4.320 4.717 -0.397 1
1 130 . 16 1 1 A 14 14 THR C C 11 174.302 172.675 1.627 1
1 131 . 16 1 1 A 14 14 THR CA C 11 61.603 60.625 0.978 1
1 132 . 16 1 1 A 14 14 THR CB C 11 69.699 70.367 -0.668 1
1 134 . 16 1 1 A 14 14 THR N N 11 112.991 117.351 -4.360 1
1 135 . 16 1 1 A 15 15 ALA H H 12 8.189 8.286 -0.097 1
1 136 . 16 1 1 A 15 15 ALA HA H 12 4.250 4.284 -0.034 1
1 140 . 16 1 1 A 15 15 ALA C C 12 177.838 177.016 0.822 1
1 141 . 16 1 1 A 15 15 ALA CA C 12 52.840 52.055 0.785 1
1 142 . 16 1 1 A 15 15 ALA CB C 12 19.231 18.804 0.427 1
1 143 . 16 1 1 A 15 15 ALA N N 12 125.979 127.103 -1.124 1
1 144 . 16 1 1 A 16 16 MET H H 13 8.110 8.665 -0.555 1
1 145 . 16 1 1 A 16 16 MET HA H 13 4.374 4.470 -0.096 1
1 150 . 16 1 1 A 16 16 MET C C 13 176.148 176.743 -0.595 1
1 151 . 16 1 1 A 16 16 MET CA C 13 55.595 55.567 0.028 1
1 152 . 16 1 1 A 16 16 MET CB C 13 32.625 33.204 -0.579 1
1 154 . 16 1 1 A 16 16 MET N N 13 118.186 124.171 -5.985 1
1 155 . 16 1 1 A 17 17 GLN H H 14 8.198 8.763 -0.565 1
1 156 . 16 1 1 A 17 17 GLN HA H 14 4.273 4.098 0.175 1
1 161 . 16 1 1 A 17 17 GLN C C 14 175.992 176.522 -0.530 1
1 162 . 16 1 1 A 17 17 GLN CA C 14 56.032 58.327 -2.295 1
1 163 . 16 1 1 A 17 17 GLN CB C 14 29.371 29.596 -0.225 1
1 165 . 16 1 1 A 17 17 GLN N N 14 121.811 122.985 -1.174 1
1 166 . 16 1 1 A 18 18 SER H H 15 8.275 7.739 0.536 1
1 167 . 16 1 1 A 18 18 SER HA H 15 4.379 4.728 -0.349 1
1 170 . 16 1 1 A 18 18 SER C C 15 175.053 174.693 0.360 1
1 171 . 16 1 1 A 18 18 SER CA C 15 58.536 59.403 -0.867 1
1 172 . 16 1 1 A 18 18 SER CB C 15 63.856 65.450 -1.594 1
1 173 . 16 1 1 A 18 18 SER N N 15 116.768 112.942 3.826 1
1 174 . 16 1 1 A 19 19 GLY H H 16 8.430 7.737 0.693 1
1 175 . 16 1 1 A 19 19 GLY HA2 H 16 4.031 3.929 0.102 1
1 176 . 16 1 1 A 19 19 GLY HA3 H 16 3.906 3.929 -0.023 1
1 177 . 16 1 1 A 19 19 GLY C C 16 174.490 174.743 -0.253 1
1 178 . 16 1 1 A 19 19 GLY CA C 16 45.580 45.468 0.112 1
1 179 . 16 1 1 A 19 19 GLY N N 16 111.050 109.020 2.030 1
1 180 . 16 1 1 A 20 20 THR H H 17 7.950 7.916 0.034 1
1 181 . 16 1 1 A 20 20 THR HA H 17 4.289 4.011 0.278 1
1 185 . 16 1 1 A 20 20 THR C C 17 174.427 174.541 -0.114 1
1 186 . 16 1 1 A 20 20 THR CA C 17 61.477 64.900 -3.423 1
1 188 . 16 1 1 A 20 20 THR N N 17 112.991 115.975 -2.984 1
1 189 . 16 1 1 A 21 21 ALA H H 18 8.247 7.527 0.720 1
1 190 . 16 1 1 A 21 21 ALA N N 18 125.213 121.588 3.625 1
1 191 . 16 1 1 A 22 22 LYS HA H 19 4.265 3.954 0.311 1
1 200 . 16 1 1 A 22 22 LYS C C 19 176.774 177.010 -0.236 1
1 201 . 16 1 1 A 22 22 LYS CA C 19 56.596 59.025 -2.429 1
1 202 . 16 1 1 A 22 22 LYS CB C 19 33.126 32.779 0.347 1
1 206 . 16 1 1 A 23 23 THR H H 20 8.004 8.128 -0.124 1
1 207 . 16 1 1 A 23 23 THR HA H 20 4.333 4.287 0.046 1
1 212 . 16 1 1 A 23 23 THR C C 20 174.083 173.986 0.097 1
1 213 . 16 1 1 A 23 23 THR CA C 20 61.682 64.425 -2.743 1
1 214 . 16 1 1 A 23 23 THR CB C 20 69.908 67.896 2.012 1
1 216 . 16 1 1 A 23 23 THR N N 20 113.978 113.555 0.423 1
1 217 . 16 1 1 A 24 24 ASN H H 21 8.289 8.233 0.056 1
1 218 . 16 1 1 A 24 24 ASN HA H 21 4.689 4.761 -0.072 1
1 223 . 16 1 1 A 24 24 ASN C C 21 174.177 174.184 -0.007 1
1 224 . 16 1 1 A 24 24 ASN CA C 21 52.966 52.617 0.349 1
1 225 . 16 1 1 A 24 24 ASN CB C 21 38.404 36.999 1.405 1
1 226 . 16 1 1 A 24 24 ASN N N 21 118.085 119.090 -1.005 1
1 228 . 16 1 1 A 25 25 VAL H H 22 7.381 8.260 -0.879 1
1 229 . 16 1 1 A 25 25 VAL HA H 22 4.336 4.987 -0.651 1
1 237 . 16 1 1 A 25 25 VAL C C 22 174.271 175.429 -1.158 1
1 238 . 16 1 1 A 25 25 VAL CA C 22 61.540 59.828 1.712 1
1 239 . 16 1 1 A 25 25 VAL CB C 22 33.771 34.259 -0.488 1
1 242 . 16 1 1 A 25 25 VAL N N 22 115.156 117.408 -2.252 1
1 243 . 16 1 1 A 26 26 TRP H H 23 8.581 8.955 -0.374 1
1 244 . 16 1 1 A 26 26 TRP HA H 23 4.430 5.233 -0.803 1
1 253 . 16 1 1 A 26 26 TRP C C 23 174.803 175.662 -0.859 1
1 254 . 16 1 1 A 26 26 TRP CA C 23 56.721 56.614 0.107 1
1 255 . 16 1 1 A 26 26 TRP CB C 23 30.651 30.623 0.028 1
1 261 . 16 1 1 A 26 26 TRP N N 23 120.570 122.397 -1.827 1
1 263 . 16 1 1 A 27 27 VAL H H 24 9.122 8.889 0.233 1
1 264 . 16 1 1 A 27 27 VAL HA H 24 4.774 4.760 0.014 1
1 272 . 16 1 1 A 27 27 VAL C C 24 173.739 173.960 -0.221 1
1 273 . 16 1 1 A 27 27 VAL CA C 24 60.101 61.429 -1.328 1
1 274 . 16 1 1 A 27 27 VAL CB C 24 34.726 33.353 1.373 1
1 277 . 16 1 1 A 27 27 VAL N N 24 121.265 123.623 -2.358 1
1 278 . 16 1 1 A 28 28 LEU H H 25 8.713 9.011 -0.298 1
1 279 . 16 1 1 A 28 28 LEU HA H 25 5.126 5.239 -0.113 1
1 288 . 16 1 1 A 28 28 LEU C C 25 174.177 174.592 -0.415 1
1 289 . 16 1 1 A 28 28 LEU CA C 25 53.863 53.471 0.392 1
1 290 . 16 1 1 A 28 28 LEU CB C 25 46.227 44.808 1.419 1
1 293 . 16 1 1 A 28 28 LEU N N 25 125.972 129.791 -3.819 1
1 294 . 16 1 1 A 29 29 GLU H H 26 9.283 9.184 0.099 1
1 295 . 16 1 1 A 29 29 GLU HA H 26 5.353 5.616 -0.263 1
1 300 . 16 1 1 A 29 29 GLU C C 26 175.867 175.366 0.501 1
1 301 . 16 1 1 A 29 29 GLU CA C 26 53.883 54.803 -0.920 1
1 302 . 16 1 1 A 29 29 GLU CB C 26 34.594 33.255 1.339 1
1 304 . 16 1 1 A 29 29 GLU N N 26 127.083 128.647 -1.564 1
1 305 . 16 1 1 A 30 30 PHE H H 27 8.761 8.689 0.072 1
1 306 . 16 1 1 A 30 30 PHE HA H 27 4.797 5.655 -0.858 1
1 313 . 16 1 1 A 30 30 PHE C C 27 174.959 171.850 3.109 1
1 314 . 16 1 1 A 30 30 PHE CA C 27 58.160 55.445 2.715 1
1 315 . 16 1 1 A 30 30 PHE CB C 27 40.218 42.321 -2.103 1
1 318 . 16 1 1 A 30 30 PHE N N 27 125.378 121.687 3.691 1
1 319 . 16 1 1 A 31 31 ASP H H 28 8.705 8.554 0.151 1
1 320 . 16 1 1 A 31 31 ASP HA H 28 4.735 4.949 -0.214 1
1 323 . 16 1 1 A 31 31 ASP C C 28 175.898 176.400 -0.502 1
1 324 . 16 1 1 A 31 31 ASP CA C 28 54.468 53.261 1.207 1
1 325 . 16 1 1 A 31 31 ASP CB C 28 41.529 42.763 -1.234 1
1 326 . 16 1 1 A 31 31 ASP N N 28 121.546 121.561 -0.015 1
1 327 . 16 1 1 A 32 32 ALA H H 29 8.527 8.735 -0.208 1
1 328 . 16 1 1 A 32 32 ALA HA H 29 4.400 4.739 -0.339 1
1 332 . 16 1 1 A 32 32 ALA C C 29 177.150 179.270 -2.120 1
1 333 . 16 1 1 A 32 32 ALA CA C 29 52.027 51.972 0.055 1
1 334 . 16 1 1 A 32 32 ALA CB C 29 20.212 20.026 0.186 1
1 335 . 16 1 1 A 32 32 ALA N N 29 124.632 128.517 -3.885 1
1 336 . 16 1 1 A 33 33 GLU H H 30 8.481 8.948 -0.467 1
1 337 . 16 1 1 A 33 33 GLU HA H 30 4.281 4.333 -0.052 1
1 342 . 16 1 1 A 33 33 GLU C C 30 176.336 176.624 -0.288 1
1 343 . 16 1 1 A 33 33 GLU CA C 30 56.309 56.990 -0.681 1
1 344 . 16 1 1 A 33 33 GLU CB C 30 30.309 28.780 1.529 1
1 346 . 16 1 1 A 33 33 GLU N N 30 120.547 119.704 0.843 1
1 347 . 16 1 1 A 34 34 VAL H H 31 8.140 7.442 0.698 1
1 348 . 16 1 1 A 34 34 VAL HA H 31 4.332 4.099 0.233 1
1 353 . 16 1 1 A 34 34 VAL CA C 31 60.006 60.875 -0.869 1
1 354 . 16 1 1 A 34 34 VAL CB C 31 32.620 32.965 -0.345 1
1 356 . 16 1 1 A 34 34 VAL N N 31 122.541 122.223 0.318 1
1 357 . 16 1 1 A 35 35 PRO HA H 32 4.343 4.632 -0.289 1
1 364 . 16 1 1 A 35 35 PRO C C 32 176.649 177.592 -0.943 1
1 365 . 16 1 1 A 35 35 PRO CA C 32 63.167 62.326 0.841 1
1 366 . 16 1 1 A 35 35 PRO CB C 32 31.999 32.832 -0.833 1
1 369 . 16 1 1 A 36 36 ARG H H 33 8.282 8.606 -0.324 1
1 370 . 16 1 1 A 36 36 ARG HA H 33 4.268 3.986 0.282 1
1 377 . 16 1 1 A 36 36 ARG C C 33 176.148 176.670 -0.522 1
1 378 . 16 1 1 A 36 36 ARG CA C 33 55.845 58.699 -2.854 1
1 379 . 16 1 1 A 36 36 ARG CB C 33 31.061 29.607 1.454 1
1 382 . 16 1 1 A 36 36 ARG N N 33 121.352 120.365 0.987 1
1 383 . 16 1 1 A 37 37 LYS H H 34 8.256 7.690 0.566 1
1 384 . 16 1 1 A 37 37 LYS HA H 34 4.265 4.373 -0.108 1
1 391 . 16 1 1 A 37 37 LYS C C 34 176.054 175.624 0.430 1
1 392 . 16 1 1 A 37 37 LYS CA C 34 56.220 56.123 0.097 1
1 393 . 16 1 1 A 37 37 LYS CB C 34 33.103 32.289 0.814 1
1 396 . 16 1 1 A 37 37 LYS N N 34 122.458 120.099 2.359 1
1 397 . 16 1 1 A 38 38 ILE H H 35 8.066 8.759 -0.693 1
1 398 . 16 1 1 A 38 38 ILE HA H 35 4.053 4.974 -0.921 1
1 408 . 16 1 1 A 38 38 ILE C C 35 175.397 174.378 1.019 1
1 409 . 16 1 1 A 38 38 ILE CA C 35 60.560 58.431 2.129 1
1 410 . 16 1 1 A 38 38 ILE CB C 35 38.883 41.398 -2.515 1
1 414 . 16 1 1 A 38 38 ILE N N 35 121.996 118.362 3.634 1
1 415 . 16 1 1 A 39 39 ASP H H 36 8.270 8.415 -0.145 1
1 416 . 16 1 1 A 39 39 ASP HA H 36 4.824 4.748 0.076 1
1 419 . 16 1 1 A 39 39 ASP CA C 36 52.138 52.204 -0.066 1
1 420 . 16 1 1 A 39 39 ASP CB C 36 42.009 42.200 -0.191 1
1 421 . 16 1 1 A 39 39 ASP N N 36 126.273 123.406 2.867 1
1 422 . 16 1 1 A 40 40 PRO HA H 37 4.295 4.336 -0.041 1
1 429 . 16 1 1 A 40 40 PRO C C 37 177.275 178.580 -1.305 1
1 430 . 16 1 1 A 40 40 PRO CA C 37 63.731 65.001 -1.270 1
1 431 . 16 1 1 A 40 40 PRO CB C 37 32.135 31.941 0.194 1
1 434 . 16 1 1 A 41 41 ILE H H 38 8.115 7.505 0.610 1
1 435 . 16 1 1 A 41 41 ILE HA H 38 4.030 3.940 0.090 1
1 445 . 16 1 1 A 41 41 ILE C C 38 176.993 178.017 -1.024 1
1 446 . 16 1 1 A 41 41 ILE CA C 38 61.790 63.311 -1.521 1
1 447 . 16 1 1 A 41 41 ILE CB C 38 38.132 37.892 0.240 1
1 451 . 16 1 1 A 41 41 ILE N N 38 119.202 116.990 2.212 1
1 452 . 16 1 1 A 42 42 MET H H 39 8.189 8.183 0.006 1
1 453 . 16 1 1 A 42 42 MET HA H 39 4.351 4.419 -0.068 1
1 458 . 16 1 1 A 42 42 MET C C 39 176.962 178.058 -1.096 1
1 459 . 16 1 1 A 42 42 MET CA C 39 55.532 54.898 0.634 1
1 460 . 16 1 1 A 42 42 MET CB C 39 32.249 31.755 0.494 1
1 462 . 16 1 1 A 42 42 MET N N 39 120.640 116.772 3.868 1
1 463 . 16 1 1 A 43 43 GLY H H 40 8.105 8.079 0.026 1
1 464 . 16 1 1 A 43 43 GLY HA2 H 40 3.931 3.896 0.035 1
1 465 . 16 1 1 A 43 43 GLY HA3 H 40 3.740 3.906 -0.166 1
1 466 . 16 1 1 A 43 43 GLY C C 40 173.707 175.216 -1.509 1
1 467 . 16 1 1 A 43 43 GLY CA C 40 45.455 46.678 -1.223 1
1 468 . 16 1 1 A 43 43 GLY N N 40 108.720 110.232 -1.512 1
1 469 . 16 1 1 A 44 44 TYR H H 41 7.984 8.230 -0.246 1
1 470 . 16 1 1 A 44 44 TYR HA H 41 4.609 4.096 0.513 1
1 477 . 16 1 1 A 44 44 TYR C C 41 175.929 175.750 0.179 1
1 478 . 16 1 1 A 44 44 TYR CA C 41 57.847 60.792 -2.945 1
1 479 . 16 1 1 A 44 44 TYR CB C 41 39.008 38.806 0.202 1
1 482 . 16 1 1 A 44 44 TYR N N 41 120.435 122.774 -2.339 1
1 483 . 16 1 1 A 45 45 THR H H 42 8.112 7.603 0.509 1
1 484 . 16 1 1 A 45 45 THR HA H 42 4.281 4.369 -0.088 1
1 486 . 16 1 1 A 45 45 THR C C 42 177.024 174.602 2.422 1
1 487 . 16 1 1 A 45 45 THR CA C 42 61.540 60.744 0.796 1
1 488 . 16 1 1 A 45 45 THR CB C 42 70.145 70.207 -0.062 1
1 489 . 16 1 1 A 45 45 THR N N 42 116.187 109.946 6.241 1
1 490 . 16 1 1 A 46 46 SER H H 43 8.447 8.894 -0.447 1
1 491 . 16 1 1 A 46 46 SER N N 43 121.723 121.162 0.561 1
1 492 . 16 1 1 A 47 47 SER HA H 44 4.224 4.695 -0.471 1
1 495 . 16 1 1 A 47 47 SER CA C 44 59.935 57.750 2.185 1
1 496 . 16 1 1 A 47 47 SER CB C 44 64.763 62.001 2.762 1
1 497 . 16 1 1 A 48 48 SER HA H 45 4.365 4.883 -0.518 1
1 500 . 16 1 1 A 48 48 SER C C 45 174.302 173.547 0.755 1
1 501 . 16 1 1 A 48 48 SER CA C 45 58.704 57.397 1.307 1
1 502 . 16 1 1 A 48 48 SER CB C 45 63.564 67.285 -3.721 1
1 503 . 16 1 1 A 49 49 ASP H H 46 8.198 8.659 -0.461 1
1 504 . 16 1 1 A 49 49 ASP HA H 46 4.553 4.522 0.031 1
1 507 . 16 1 1 A 49 49 ASP C C 46 176.211 176.681 -0.470 1
1 508 . 16 1 1 A 49 49 ASP CA C 46 54.572 55.891 -1.319 1
1 509 . 16 1 1 A 49 49 ASP CB C 46 40.971 41.086 -0.115 1
1 510 . 16 1 1 A 49 49 ASP N N 46 121.811 122.010 -0.199 1
1 511 . 16 1 1 A 50 50 MET H H 47 8.089 7.854 0.235 1
1 512 . 16 1 1 A 50 50 MET HA H 47 4.374 4.437 -0.063 1
1 517 . 16 1 1 A 50 50 MET C C 47 176.100 176.195 -0.095 1
1 518 . 16 1 1 A 50 50 MET CA C 47 55.595 55.493 0.102 1
1 519 . 16 1 1 A 50 50 MET CB C 47 32.625 32.762 -0.137 1
1 521 . 16 1 1 A 50 50 MET N N 47 120.102 120.064 0.038 1
1 522 . 16 1 1 A 51 51 LYS H H 48 8.198 8.436 -0.238 1
1 523 . 16 1 1 A 51 51 LYS HA H 48 4.343 4.231 0.112 1
1 532 . 16 1 1 A 51 51 LYS C C 48 176.273 176.442 -0.169 1
1 533 . 16 1 1 A 51 51 LYS CA C 48 56.158 56.679 -0.521 1
1 534 . 16 1 1 A 51 51 LYS CB C 48 33.042 32.909 0.133 1
1 538 . 16 1 1 A 51 51 LYS N N 48 121.811 123.243 -1.432 1
1 539 . 16 1 1 A 52 52 GLN H H 49 8.372 8.838 -0.466 1
1 540 . 16 1 1 A 52 52 GLN HA H 49 4.330 4.783 -0.453 1
1 545 . 16 1 1 A 52 52 GLN C C 49 175.303 174.997 0.306 1
1 546 . 16 1 1 A 52 52 GLN CA C 49 55.180 54.750 0.430 1
1 547 . 16 1 1 A 52 52 GLN CB C 49 30.017 29.037 0.980 1
1 549 . 16 1 1 A 52 52 GLN N N 49 120.928 119.879 1.049 1
1 550 . 16 1 1 A 53 53 GLN H H 50 8.366 8.614 -0.248 1
1 551 . 16 1 1 A 53 53 GLN HA H 50 4.455 4.594 -0.139 1
1 558 . 16 1 1 A 53 53 GLN C C 50 175.616 175.629 -0.013 1
1 559 . 16 1 1 A 53 53 GLN CA C 50 55.825 55.606 0.219 1
1 560 . 16 1 1 A 53 53 GLN CB C 50 29.988 27.527 2.461 1
1 562 . 16 1 1 A 53 53 GLN N N 50 122.169 117.802 4.367 1
1 564 . 16 1 1 A 54 54 VAL H H 51 8.577 7.045 1.532 1
1 565 . 16 1 1 A 54 54 VAL HA H 51 3.999 3.976 0.023 1
1 570 . 16 1 1 A 54 54 VAL C C 51 174.678 175.639 -0.961 1
1 571 . 16 1 1 A 54 54 VAL CA C 51 62.792 62.688 0.104 1
1 572 . 16 1 1 A 54 54 VAL CB C 51 32.809 32.062 0.747 1
1 574 . 16 1 1 A 54 54 VAL N N 51 124.540 120.190 4.350 1
1 575 . 16 1 1 A 55 55 LYS H H 52 8.025 9.025 -1.000 1
1 576 . 16 1 1 A 55 55 LYS HA H 52 5.098 5.553 -0.455 1
1 585 . 16 1 1 A 55 55 LYS C C 52 175.397 174.943 0.454 1
1 586 . 16 1 1 A 55 55 LYS CA C 52 55.259 54.407 0.852 1
1 587 . 16 1 1 A 55 55 LYS CB C 52 35.090 35.953 -0.863 1
1 591 . 16 1 1 A 55 55 LYS N N 52 123.649 120.423 3.226 1
1 592 . 16 1 1 A 56 56 LEU H H 53 8.965 8.969 -0.004 1
1 593 . 16 1 1 A 56 56 LEU HA H 53 4.527 5.086 -0.559 1
1 602 . 16 1 1 A 56 56 LEU C C 53 175.272 175.941 -0.669 1
1 603 . 16 1 1 A 56 56 LEU CA C 53 53.385 53.639 -0.254 1
1 604 . 16 1 1 A 56 56 LEU CB C 53 45.496 44.584 0.912 1
1 607 . 16 1 1 A 56 56 LEU N N 53 125.718 124.726 0.992 1
1 608 . 16 1 1 A 57 57 THR H H 54 7.647 8.774 -1.127 1
1 609 . 16 1 1 A 57 57 THR HA H 54 5.197 5.583 -0.386 1
1 614 . 16 1 1 A 57 57 THR C C 54 173.426 173.500 -0.074 1
1 615 . 16 1 1 A 57 57 THR CA C 54 60.016 60.495 -0.479 1
1 616 . 16 1 1 A 57 57 THR CB C 54 71.074 70.546 0.528 1
1 618 . 16 1 1 A 57 57 THR N N 54 110.955 114.122 -3.167 1
1 619 . 16 1 1 A 58 58 PHE H H 55 9.240 9.113 0.127 1
1 620 . 16 1 1 A 58 58 PHE HA H 55 4.703 4.881 -0.178 1
1 626 . 16 1 1 A 58 58 PHE C C 55 175.225 176.239 -1.014 1
1 627 . 16 1 1 A 58 58 PHE CA C 55 56.721 56.413 0.308 1
1 628 . 16 1 1 A 58 58 PHE CB C 55 44.606 42.993 1.613 1
1 631 . 16 1 1 A 58 58 PHE N N 55 119.380 120.425 -1.045 1
1 632 . 16 1 1 A 59 59 GLU H H 56 8.828 8.765 0.063 1
1 633 . 16 1 1 A 59 59 GLU HA H 56 4.390 4.272 0.118 1
1 638 . 16 1 1 A 59 59 GLU C C 56 176.868 176.822 0.046 1
1 639 . 16 1 1 A 59 59 GLU CA C 56 58.849 59.343 -0.494 1
1 640 . 16 1 1 A 59 59 GLU CB C 56 30.977 30.583 0.394 1
1 642 . 16 1 1 A 59 59 GLU N N 56 119.209 121.249 -2.040 1
1 643 . 16 1 1 A 60 60 THR H H 57 7.090 7.739 -0.649 1
1 644 . 16 1 1 A 60 60 THR HA H 57 4.538 4.529 0.009 1
1 649 . 16 1 1 A 60 60 THR C C 57 173.113 174.840 -1.727 1
1 650 . 16 1 1 A 60 60 THR CA C 57 58.619 59.575 -0.956 1
1 651 . 16 1 1 A 60 60 THR CB C 57 72.972 72.463 0.509 1
1 653 . 16 1 1 A 60 60 THR N N 57 102.317 111.199 -8.882 1
1 654 . 16 1 1 A 61 61 GLN H H 58 7.590 7.792 -0.202 1
1 655 . 16 1 1 A 61 61 GLN HA H 58 2.307 3.325 -1.018 1
1 662 . 16 1 1 A 61 61 GLN C C 58 177.713 177.238 0.475 1
1 663 . 16 1 1 A 61 61 GLN CA C 58 58.692 58.521 0.171 1
1 664 . 16 1 1 A 61 61 GLN CB C 58 27.689 27.307 0.382 1
1 666 . 16 1 1 A 61 61 GLN N N 58 122.133 121.062 1.071 1
1 668 . 16 1 1 A 62 62 GLU H H 59 8.587 8.068 0.519 1
1 669 . 16 1 1 A 62 62 GLU HA H 59 3.673 3.890 -0.217 1
1 674 . 16 1 1 A 62 62 GLU C C 59 179.337 179.349 -0.012 1
1 675 . 16 1 1 A 62 62 GLU CA C 59 59.847 59.090 0.757 1
1 676 . 16 1 1 A 62 62 GLU CB C 59 28.578 29.210 -0.632 1
1 678 . 16 1 1 A 62 62 GLU N N 59 117.069 118.818 -1.749 1
1 679 . 16 1 1 A 63 63 GLN H H 60 7.671 7.372 0.299 1
1 680 . 16 1 1 A 63 63 GLN HA H 60 3.812 3.936 -0.124 1
1 687 . 16 1 1 A 63 63 GLN C C 60 178.339 177.687 0.652 1
1 688 . 16 1 1 A 63 63 GLN CA C 60 58.411 58.407 0.004 1
1 689 . 16 1 1 A 63 63 GLN CB C 60 29.308 28.201 1.107 1
1 691 . 16 1 1 A 63 63 GLN N N 60 118.959 118.649 0.310 1
1 693 . 16 1 1 A 64 64 ALA H H 61 6.836 7.633 -0.797 1
1 694 . 16 1 1 A 64 64 ALA HA H 61 1.982 2.816 -0.834 1
1 698 . 16 1 1 A 64 64 ALA C C 61 178.151 179.171 -1.020 1
1 699 . 16 1 1 A 64 64 ALA CA C 61 54.112 54.315 -0.203 1
1 700 . 16 1 1 A 64 64 ALA CB C 61 18.627 18.002 0.625 1
1 701 . 16 1 1 A 64 64 ALA N N 61 123.296 122.188 1.108 1
1 702 . 16 1 1 A 65 65 GLU H H 62 8.014 7.982 0.032 1
1 703 . 16 1 1 A 65 65 GLU HA H 62 2.853 3.420 -0.567 1
1 708 . 16 1 1 A 65 65 GLU C C 62 177.901 178.637 -0.736 1
1 709 . 16 1 1 A 65 65 GLU CA C 62 60.601 59.000 1.601 1
1 710 . 16 1 1 A 65 65 GLU CB C 62 30.597 28.733 1.864 1
1 712 . 16 1 1 A 65 65 GLU N N 62 115.643 116.339 -0.696 1
1 713 . 16 1 1 A 66 66 ALA H H 63 7.954 7.708 0.246 1
1 714 . 16 1 1 A 66 66 ALA HA H 63 3.812 4.032 -0.220 1
1 718 . 16 1 1 A 66 66 ALA C C 63 180.245 179.286 0.959 1
1 719 . 16 1 1 A 66 66 ALA CA C 63 54.968 54.753 0.215 1
1 720 . 16 1 1 A 66 66 ALA CB C 63 17.876 17.967 -0.091 1
1 721 . 16 1 1 A 66 66 ALA N N 63 120.250 121.770 -1.520 1
1 722 . 16 1 1 A 67 67 TYR H H 64 7.373 7.425 -0.052 1
1 723 . 16 1 1 A 67 67 TYR HA H 64 3.789 4.085 -0.296 1
1 730 . 16 1 1 A 67 67 TYR C C 64 176.680 176.550 0.130 1
1 731 . 16 1 1 A 67 67 TYR CA C 64 61.624 61.690 -0.066 1
1 732 . 16 1 1 A 67 67 TYR CB C 64 38.947 38.518 0.429 1
1 735 . 16 1 1 A 67 67 TYR N N 64 119.523 120.036 -0.513 1
1 736 . 16 1 1 A 68 68 ALA H H 65 7.653 7.911 -0.258 1
1 737 . 16 1 1 A 68 68 ALA HA H 65 3.608 3.792 -0.184 1
1 741 . 16 1 1 A 68 68 ALA C C 65 179.650 180.041 -0.391 1
1 742 . 16 1 1 A 68 68 ALA CA C 65 55.407 55.234 0.173 1
1 743 . 16 1 1 A 68 68 ALA CB C 65 18.001 17.854 0.147 1
1 744 . 16 1 1 A 68 68 ALA N N 65 120.416 121.587 -1.171 1
1 745 . 16 1 1 A 69 69 GLN H H 66 8.491 8.202 0.289 1
1 746 . 16 1 1 A 69 69 GLN HA H 66 4.150 4.002 0.148 1
1 753 . 16 1 1 A 69 69 GLN C C 66 180.119 178.444 1.675 1
1 754 . 16 1 1 A 69 69 GLN CA C 66 58.639 58.939 -0.300 1
1 755 . 16 1 1 A 69 69 GLN CB C 66 28.035 28.586 -0.551 1
1 757 . 16 1 1 A 69 69 GLN N N 66 115.832 116.987 -1.155 1
1 759 . 16 1 1 A 70 70 ARG H H 67 7.962 7.617 0.345 1
1 760 . 16 1 1 A 70 70 ARG HA H 67 3.991 4.062 -0.071 1
1 767 . 16 1 1 A 70 70 ARG C C 67 178.370 177.773 0.597 1
1 768 . 16 1 1 A 70 70 ARG CA C 67 58.849 58.952 -0.103 1
1 769 . 16 1 1 A 70 70 ARG CB C 67 29.735 29.638 0.097 1
1 772 . 16 1 1 A 70 70 ARG N N 67 120.213 120.739 -0.526 1
1 773 . 16 1 1 A 71 71 LYS H H 68 7.506 7.234 0.272 1
1 774 . 16 1 1 A 71 71 LYS HA H 68 4.132 4.187 -0.055 1
1 783 . 16 1 1 A 71 71 LYS C C 68 176.712 177.132 -0.420 1
1 784 . 16 1 1 A 71 71 LYS CA C 68 54.781 55.767 -0.986 1
1 785 . 16 1 1 A 71 71 LYS CB C 68 32.447 32.938 -0.491 1
1 789 . 16 1 1 A 71 71 LYS N N 68 115.757 115.997 -0.240 1
1 790 . 16 1 1 A 72 72 GLY H H 69 7.680 7.800 -0.120 1
1 791 . 16 1 1 A 72 72 GLY HA2 H 69 3.887 3.911 -0.024 1
1 792 . 16 1 1 A 72 72 GLY HA3 H 69 3.818 3.922 -0.104 1
1 793 . 16 1 1 A 72 72 GLY C C 69 175.415 174.356 1.059 1
1 794 . 16 1 1 A 72 72 GLY CA C 69 46.621 45.454 1.167 1
1 795 . 16 1 1 A 72 72 GLY N N 69 109.542 107.199 2.343 1
1 796 . 16 1 1 A 73 73 ILE H H 70 8.180 7.405 0.775 1
1 797 . 16 1 1 A 73 73 ILE HA H 70 3.951 3.960 -0.009 1
1 805 . 16 1 1 A 73 73 ILE C C 70 175.835 175.820 0.015 1
1 806 . 16 1 1 A 73 73 ILE CA C 70 60.560 61.160 -0.600 1
1 807 . 16 1 1 A 73 73 ILE CB C 70 40.035 37.864 2.171 1
1 810 . 16 1 1 A 73 73 ILE N N 70 121.234 122.932 -1.698 1
1 811 . 16 1 1 A 74 74 GLU H H 71 8.428 8.456 -0.028 1
1 812 . 16 1 1 A 74 74 GLU HA H 71 4.289 4.244 0.045 1
1 817 . 16 1 1 A 74 74 GLU C C 71 175.460 176.298 -0.838 1
1 818 . 16 1 1 A 74 74 GLU CA C 71 56.533 56.822 -0.289 1
1 819 . 16 1 1 A 74 74 GLU CB C 71 29.683 29.930 -0.247 1
1 821 . 16 1 1 A 74 74 GLU N N 71 129.096 127.918 1.178 1
1 822 . 16 1 1 A 75 75 TYR H H 72 8.004 8.631 -0.627 1
1 823 . 16 1 1 A 75 75 TYR HA H 72 5.805 6.034 -0.229 1
1 830 . 16 1 1 A 75 75 TYR C C 72 173.332 172.413 0.919 1
1 831 . 16 1 1 A 75 75 TYR CA C 72 55.323 55.478 -0.155 1
1 832 . 16 1 1 A 75 75 TYR CB C 72 42.290 42.033 0.257 1
1 835 . 16 1 1 A 75 75 TYR N N 72 120.850 118.114 2.736 1
1 836 . 16 1 1 A 76 76 ARG H H 73 7.936 9.205 -1.269 1
1 837 . 16 1 1 A 76 76 ARG HA H 73 4.656 4.841 -0.185 1
1 844 . 16 1 1 A 76 76 ARG C C 73 174.302 175.462 -1.160 1
1 845 . 16 1 1 A 76 76 ARG CA C 73 53.883 54.912 -1.029 1
1 846 . 16 1 1 A 76 76 ARG CB C 73 32.856 32.149 0.707 1
1 849 . 16 1 1 A 76 76 ARG N N 73 117.640 121.798 -4.158 1
1 850 . 16 1 1 A 77 77 VAL H H 74 8.859 8.840 0.019 1
1 851 . 16 1 1 A 77 77 VAL HA H 74 4.885 4.942 -0.057 1
1 859 . 16 1 1 A 77 77 VAL C C 74 176.023 175.376 0.647 1
1 860 . 16 1 1 A 77 77 VAL CA C 74 61.540 61.726 -0.186 1
1 861 . 16 1 1 A 77 77 VAL CB C 74 32.377 33.100 -0.723 1
1 864 . 16 1 1 A 77 77 VAL N N 74 124.091 124.055 0.036 1
1 865 . 16 1 1 A 78 78 ILE H H 75 9.282 9.557 -0.275 1
1 866 . 16 1 1 A 78 78 ILE HA H 75 4.297 4.943 -0.646 1
1 876 . 16 1 1 A 78 78 ILE C C 75 175.178 175.702 -0.524 1
1 877 . 16 1 1 A 78 78 ILE CA C 75 59.850 59.693 0.157 1
1 878 . 16 1 1 A 78 78 ILE CB C 75 37.546 40.468 -2.922 1
1 882 . 16 1 1 A 78 78 ILE N N 75 130.317 126.898 3.419 1
1 883 . 16 1 1 A 79 79 LEU H H 76 8.428 8.945 -0.517 1
1 884 . 16 1 1 A 79 79 LEU HA H 76 4.747 4.835 -0.088 1
1 894 . 16 1 1 A 79 79 LEU CA C 76 52.672 53.430 -0.758 1
1 895 . 16 1 1 A 79 79 LEU CB C 76 41.865 41.138 0.727 1
1 899 . 16 1 1 A 79 79 LEU N N 76 128.194 129.351 -1.157 1
1 900 . 16 1 1 A 80 80 PRO HA H 77 4.402 4.387 0.015 1
1 907 . 16 1 1 A 80 80 PRO C C 77 177.087 177.054 0.033 1
1 908 . 16 1 1 A 80 80 PRO CA C 77 63.104 62.488 0.616 1
1 909 . 16 1 1 A 80 80 PRO CB C 77 32.145 32.854 -0.709 1
1 912 . 16 1 1 A 81 81 LYS H H 78 8.373 8.566 -0.193 1
1 913 . 16 1 1 A 81 81 LYS HA H 78 4.205 4.021 0.184 1
1 922 . 16 1 1 A 81 81 LYS C C 78 174.200 176.820 -2.620 1
1 923 . 16 1 1 A 81 81 LYS CA C 78 57.050 57.723 -0.673 1
1 924 . 16 1 1 A 81 81 LYS CB C 78 32.750 31.337 1.413 1
1 928 . 16 1 1 A 81 81 LYS N N 78 121.644 120.956 0.688 1
1 929 . 16 1 1 A 82 82 GLU H H 79 8.452 8.165 0.287 1
1 930 . 16 1 1 A 82 82 GLU HA H 79 4.216 4.553 -0.337 1
1 935 . 16 1 1 A 82 82 GLU C C 79 176.336 176.315 0.021 1
1 936 . 16 1 1 A 82 82 GLU CA C 79 56.533 55.768 0.765 1
1 937 . 16 1 1 A 82 82 GLU CB C 79 29.996 31.006 -1.010 1
1 939 . 16 1 1 A 82 82 GLU N N 79 121.461 116.701 4.760 1
1 10 . 17 1 1 A 5 5 SER H H 2 8.403 9.010 -0.607 1
1 11 . 17 1 1 A 5 5 SER HA H 2 5.099 5.876 -0.777 1
1 14 . 17 1 1 A 5 5 SER C C 2 173.833 173.233 0.600 1
1 15 . 17 1 1 A 5 5 SER CA C 2 57.556 56.577 0.979 1
1 16 . 17 1 1 A 5 5 SER CB C 2 65.337 65.489 -0.152 1
1 17 . 17 1 1 A 5 5 SER N N 2 116.747 112.530 4.217 1
1 18 . 17 1 1 A 6 6 ALA H H 3 8.552 9.281 -0.729 1
1 19 . 17 1 1 A 6 6 ALA HA H 3 5.040 5.492 -0.452 1
1 23 . 17 1 1 A 6 6 ALA C C 3 176.117 176.909 -0.792 1
1 24 . 17 1 1 A 6 6 ALA CA C 3 51.500 50.437 1.063 1
1 25 . 17 1 1 A 6 6 ALA CB C 3 23.991 21.194 2.797 1
1 26 . 17 1 1 A 6 6 ALA N N 3 123.072 127.325 -4.253 1
1 27 . 17 1 1 A 7 7 LYS H H 4 8.706 9.471 -0.765 1
1 28 . 17 1 1 A 7 7 LYS HA H 4 5.428 5.379 0.049 1
1 37 . 17 1 1 A 7 7 LYS C C 4 174.490 175.513 -1.023 1
1 38 . 17 1 1 A 7 7 LYS CA C 4 54.280 55.347 -1.067 1
1 39 . 17 1 1 A 7 7 LYS CB C 4 36.399 34.681 1.718 1
1 43 . 17 1 1 A 7 7 LYS N N 4 117.868 120.607 -2.739 1
1 44 . 17 1 1 A 8 8 ILE H H 5 8.752 9.171 -0.419 1
1 45 . 17 1 1 A 8 8 ILE HA H 5 5.741 5.181 0.560 1
1 55 . 17 1 1 A 8 8 ILE C C 5 174.552 175.098 -0.546 1
1 56 . 17 1 1 A 8 8 ILE CA C 5 59.953 60.760 -0.807 1
1 57 . 17 1 1 A 8 8 ILE CB C 5 41.115 39.348 1.767 1
1 61 . 17 1 1 A 8 8 ILE N N 5 122.521 125.971 -3.450 1
1 62 . 17 1 1 A 9 9 TYR H H 6 8.980 8.779 0.201 1
1 63 . 17 1 1 A 9 9 TYR HA H 6 5.214 5.571 -0.357 1
1 68 . 17 1 1 A 9 9 TYR C C 6 171.856 172.636 -0.780 1
1 69 . 17 1 1 A 9 9 TYR CA C 6 56.053 55.864 0.189 1
1 70 . 17 1 1 A 9 9 TYR CB C 6 40.371 41.564 -1.193 1
1 72 . 17 1 1 A 9 9 TYR N N 6 122.495 124.625 -2.130 1
1 73 . 17 1 1 A 10 10 ARG H H 7 8.830 8.584 0.246 1
1 74 . 17 1 1 A 10 10 ARG HA H 7 4.498 4.639 -0.141 1
1 81 . 17 1 1 A 10 10 ARG CA C 7 51.891 52.882 -0.991 1
1 82 . 17 1 1 A 10 10 ARG CB C 7 30.299 31.703 -1.404 1
1 85 . 17 1 1 A 10 10 ARG N N 7 122.632 120.439 2.193 1
1 86 . 17 1 1 A 11 11 PRO HA H 8 4.369 4.779 -0.410 1
1 93 . 17 1 1 A 11 11 PRO C C 8 176.086 175.679 0.407 1
1 94 . 17 1 1 A 11 11 PRO CA C 8 62.730 62.586 0.144 1
1 95 . 17 1 1 A 11 11 PRO CB C 8 32.364 33.283 -0.919 1
1 98 . 17 1 1 A 12 12 ALA H H 9 8.384 8.375 0.009 1
1 99 . 17 1 1 A 12 12 ALA HA H 9 4.193 4.308 -0.115 1
1 103 . 17 1 1 A 12 12 ALA C C 9 177.948 176.696 1.252 1
1 104 . 17 1 1 A 12 12 ALA CA C 9 52.406 52.443 -0.037 1
1 105 . 17 1 1 A 12 12 ALA CB C 9 19.441 19.659 -0.218 1
1 106 . 17 1 1 A 12 12 ALA N N 9 124.348 120.823 3.525 1
1 107 . 17 1 1 A 13 13 LYS H H 10 8.242 7.635 0.607 1
1 108 . 17 1 1 A 13 13 LYS HA H 10 4.289 4.666 -0.377 1
1 117 . 17 1 1 A 13 13 LYS C C 10 176.555 175.230 1.325 1
1 118 . 17 1 1 A 13 13 LYS CA C 10 56.345 54.928 1.417 1
1 119 . 17 1 1 A 13 13 LYS CB C 10 33.052 36.027 -2.975 1
1 123 . 17 1 1 A 13 13 LYS N N 10 120.348 115.517 4.831 1
1 124 . 17 1 1 A 14 14 THR H H 11 7.950 8.650 -0.700 1
1 125 . 17 1 1 A 14 14 THR HA H 11 4.320 4.566 -0.246 1
1 130 . 17 1 1 A 14 14 THR C C 11 174.302 175.226 -0.924 1
1 131 . 17 1 1 A 14 14 THR CA C 11 61.603 62.208 -0.605 1
1 132 . 17 1 1 A 14 14 THR CB C 11 69.699 70.287 -0.588 1
1 134 . 17 1 1 A 14 14 THR N N 11 112.991 111.468 1.523 1
1 135 . 17 1 1 A 15 15 ALA H H 12 8.189 7.502 0.687 1
1 136 . 17 1 1 A 15 15 ALA HA H 12 4.250 4.484 -0.234 1
1 140 . 17 1 1 A 15 15 ALA C C 12 177.838 176.501 1.337 1
1 141 . 17 1 1 A 15 15 ALA CA C 12 52.840 53.411 -0.571 1
1 142 . 17 1 1 A 15 15 ALA CB C 12 19.231 20.396 -1.165 1
1 143 . 17 1 1 A 15 15 ALA N N 12 125.979 121.995 3.984 1
1 144 . 17 1 1 A 16 16 MET H H 13 8.110 7.629 0.481 1
1 145 . 17 1 1 A 16 16 MET HA H 13 4.374 4.889 -0.515 1
1 150 . 17 1 1 A 16 16 MET C C 13 176.148 174.187 1.961 1
1 151 . 17 1 1 A 16 16 MET CA C 13 55.595 54.500 1.095 1
1 152 . 17 1 1 A 16 16 MET CB C 13 32.625 37.598 -4.973 1
1 154 . 17 1 1 A 16 16 MET N N 13 118.186 113.397 4.789 1
1 155 . 17 1 1 A 17 17 GLN H H 14 8.198 8.527 -0.329 1
1 156 . 17 1 1 A 17 17 GLN HA H 14 4.273 4.360 -0.087 1
1 161 . 17 1 1 A 17 17 GLN C C 14 175.992 174.508 1.484 1
1 162 . 17 1 1 A 17 17 GLN CA C 14 56.032 55.544 0.488 1
1 163 . 17 1 1 A 17 17 GLN CB C 14 29.371 27.813 1.558 1
1 165 . 17 1 1 A 17 17 GLN N N 14 121.811 121.271 0.540 1
1 166 . 17 1 1 A 18 18 SER H H 15 8.275 8.506 -0.231 1
1 167 . 17 1 1 A 18 18 SER HA H 15 4.379 4.739 -0.360 1
1 170 . 17 1 1 A 18 18 SER C C 15 175.053 173.756 1.297 1
1 171 . 17 1 1 A 18 18 SER CA C 15 58.536 57.892 0.644 1
1 172 . 17 1 1 A 18 18 SER CB C 15 63.856 66.037 -2.181 1
1 173 . 17 1 1 A 18 18 SER N N 15 116.768 120.676 -3.908 1
1 174 . 17 1 1 A 19 19 GLY H H 16 8.430 8.742 -0.312 1
1 175 . 17 1 1 A 19 19 GLY HA2 H 16 4.031 3.814 0.217 1
1 176 . 17 1 1 A 19 19 GLY HA3 H 16 3.906 3.822 0.084 1
1 177 . 17 1 1 A 19 19 GLY C C 16 174.490 173.550 0.940 1
1 178 . 17 1 1 A 19 19 GLY CA C 16 45.580 46.507 -0.927 1
1 179 . 17 1 1 A 19 19 GLY N N 16 111.050 114.318 -3.268 1
1 180 . 17 1 1 A 20 20 THR H H 17 7.950 7.624 0.326 1
1 181 . 17 1 1 A 20 20 THR HA H 17 4.289 4.875 -0.586 1
1 185 . 17 1 1 A 20 20 THR C C 17 174.427 174.995 -0.568 1
1 186 . 17 1 1 A 20 20 THR CA C 17 61.477 59.113 2.364 1
1 188 . 17 1 1 A 20 20 THR N N 17 112.991 109.800 3.191 1
1 189 . 17 1 1 A 21 21 ALA H H 18 8.247 8.399 -0.152 1
1 190 . 17 1 1 A 21 21 ALA N N 18 125.213 124.451 0.762 1
1 191 . 17 1 1 A 22 22 LYS HA H 19 4.265 4.555 -0.290 1
1 200 . 17 1 1 A 22 22 LYS C C 19 176.774 175.991 0.783 1
1 201 . 17 1 1 A 22 22 LYS CA C 19 56.596 56.167 0.429 1
1 202 . 17 1 1 A 22 22 LYS CB C 19 33.126 35.323 -2.197 1
1 206 . 17 1 1 A 23 23 THR H H 20 8.004 8.838 -0.834 1
1 207 . 17 1 1 A 23 23 THR HA H 20 4.333 4.202 0.131 1
1 212 . 17 1 1 A 23 23 THR C C 20 174.083 173.476 0.607 1
1 213 . 17 1 1 A 23 23 THR CA C 20 61.682 64.394 -2.712 1
1 214 . 17 1 1 A 23 23 THR CB C 20 69.908 68.300 1.608 1
1 216 . 17 1 1 A 23 23 THR N N 20 113.978 120.791 -6.813 1
1 217 . 17 1 1 A 24 24 ASN H H 21 8.289 8.052 0.237 1
1 218 . 17 1 1 A 24 24 ASN HA H 21 4.689 5.097 -0.408 1
1 223 . 17 1 1 A 24 24 ASN C C 21 174.177 174.517 -0.340 1
1 224 . 17 1 1 A 24 24 ASN CA C 21 52.966 52.210 0.756 1
1 225 . 17 1 1 A 24 24 ASN CB C 21 38.404 42.405 -4.001 1
1 226 . 17 1 1 A 24 24 ASN N N 21 118.085 118.447 -0.362 1
1 228 . 17 1 1 A 25 25 VAL H H 22 7.381 8.455 -1.074 1
1 229 . 17 1 1 A 25 25 VAL HA H 22 4.336 4.608 -0.272 1
1 237 . 17 1 1 A 25 25 VAL C C 22 174.271 175.707 -1.436 1
1 238 . 17 1 1 A 25 25 VAL CA C 22 61.540 60.599 0.941 1
1 239 . 17 1 1 A 25 25 VAL CB C 22 33.771 33.950 -0.179 1
1 242 . 17 1 1 A 25 25 VAL N N 22 115.156 118.198 -3.042 1
1 243 . 17 1 1 A 26 26 TRP H H 23 8.581 9.027 -0.446 1
1 244 . 17 1 1 A 26 26 TRP HA H 23 4.430 5.151 -0.721 1
1 253 . 17 1 1 A 26 26 TRP C C 23 174.803 175.927 -1.124 1
1 254 . 17 1 1 A 26 26 TRP CA C 23 56.721 56.660 0.061 1
1 255 . 17 1 1 A 26 26 TRP CB C 23 30.651 30.541 0.110 1
1 261 . 17 1 1 A 26 26 TRP N N 23 120.570 122.649 -2.079 1
1 263 . 17 1 1 A 27 27 VAL H H 24 9.122 8.819 0.303 1
1 264 . 17 1 1 A 27 27 VAL HA H 24 4.774 4.696 0.078 1
1 272 . 17 1 1 A 27 27 VAL C C 24 173.739 174.068 -0.329 1
1 273 . 17 1 1 A 27 27 VAL CA C 24 60.101 61.436 -1.335 1
1 274 . 17 1 1 A 27 27 VAL CB C 24 34.726 33.279 1.447 1
1 277 . 17 1 1 A 27 27 VAL N N 24 121.265 123.630 -2.365 1
1 278 . 17 1 1 A 28 28 LEU H H 25 8.713 9.043 -0.330 1
1 279 . 17 1 1 A 28 28 LEU HA H 25 5.126 5.431 -0.305 1
1 288 . 17 1 1 A 28 28 LEU C C 25 174.177 174.636 -0.459 1
1 289 . 17 1 1 A 28 28 LEU CA C 25 53.863 53.549 0.314 1
1 290 . 17 1 1 A 28 28 LEU CB C 25 46.227 44.670 1.557 1
1 293 . 17 1 1 A 28 28 LEU N N 25 125.972 129.724 -3.752 1
1 294 . 17 1 1 A 29 29 GLU H H 26 9.283 9.189 0.094 1
1 295 . 17 1 1 A 29 29 GLU HA H 26 5.353 5.382 -0.029 1
1 300 . 17 1 1 A 29 29 GLU C C 26 175.867 175.399 0.468 1
1 301 . 17 1 1 A 29 29 GLU CA C 26 53.883 54.880 -0.997 1
1 302 . 17 1 1 A 29 29 GLU CB C 26 34.594 33.292 1.302 1
1 304 . 17 1 1 A 29 29 GLU N N 26 127.083 128.651 -1.568 1
1 305 . 17 1 1 A 30 30 PHE H H 27 8.761 8.718 0.043 1
1 306 . 17 1 1 A 30 30 PHE HA H 27 4.797 5.386 -0.589 1
1 313 . 17 1 1 A 30 30 PHE C C 27 174.959 172.311 2.648 1
1 314 . 17 1 1 A 30 30 PHE CA C 27 58.160 55.600 2.560 1
1 315 . 17 1 1 A 30 30 PHE CB C 27 40.218 42.091 -1.873 1
1 318 . 17 1 1 A 30 30 PHE N N 27 125.378 121.455 3.923 1
1 319 . 17 1 1 A 31 31 ASP H H 28 8.705 8.662 0.043 1
1 320 . 17 1 1 A 31 31 ASP HA H 28 4.735 4.586 0.149 1
1 323 . 17 1 1 A 31 31 ASP C C 28 175.898 175.779 0.119 1
1 324 . 17 1 1 A 31 31 ASP CA C 28 54.468 54.349 0.119 1
1 325 . 17 1 1 A 31 31 ASP CB C 28 41.529 41.391 0.138 1
1 326 . 17 1 1 A 31 31 ASP N N 28 121.546 121.213 0.333 1
1 327 . 17 1 1 A 32 32 ALA H H 29 8.527 8.329 0.198 1
1 328 . 17 1 1 A 32 32 ALA HA H 29 4.400 4.105 0.295 1
1 332 . 17 1 1 A 32 32 ALA C C 29 177.150 179.115 -1.965 1
1 333 . 17 1 1 A 32 32 ALA CA C 29 52.027 53.039 -1.012 1
1 334 . 17 1 1 A 32 32 ALA CB C 29 20.212 19.060 1.152 1
1 335 . 17 1 1 A 32 32 ALA N N 29 124.632 128.718 -4.086 1
1 336 . 17 1 1 A 33 33 GLU H H 30 8.481 9.145 -0.664 1
1 337 . 17 1 1 A 33 33 GLU HA H 30 4.281 4.416 -0.135 1
1 342 . 17 1 1 A 33 33 GLU C C 30 176.336 175.547 0.789 1
1 343 . 17 1 1 A 33 33 GLU CA C 30 56.309 56.656 -0.347 1
1 344 . 17 1 1 A 33 33 GLU CB C 30 30.309 29.273 1.036 1
1 346 . 17 1 1 A 33 33 GLU N N 30 120.547 120.047 0.500 1
1 347 . 17 1 1 A 34 34 VAL H H 31 8.140 7.365 0.775 1
1 348 . 17 1 1 A 34 34 VAL HA H 31 4.332 4.701 -0.369 1
1 353 . 17 1 1 A 34 34 VAL CA C 31 60.006 58.480 1.526 1
1 354 . 17 1 1 A 34 34 VAL CB C 31 32.620 34.718 -2.098 1
1 356 . 17 1 1 A 34 34 VAL N N 31 122.541 120.290 2.251 1
1 357 . 17 1 1 A 35 35 PRO HA H 32 4.343 4.923 -0.580 1
1 364 . 17 1 1 A 35 35 PRO C C 32 176.649 176.977 -0.328 1
1 365 . 17 1 1 A 35 35 PRO CA C 32 63.167 62.120 1.047 1
1 366 . 17 1 1 A 35 35 PRO CB C 32 31.999 33.017 -1.018 1
1 369 . 17 1 1 A 36 36 ARG H H 33 8.282 8.782 -0.500 1
1 370 . 17 1 1 A 36 36 ARG HA H 33 4.268 3.956 0.312 1
1 377 . 17 1 1 A 36 36 ARG C C 33 176.148 176.252 -0.104 1
1 378 . 17 1 1 A 36 36 ARG CA C 33 55.845 58.807 -2.962 1
1 379 . 17 1 1 A 36 36 ARG CB C 33 31.061 29.548 1.513 1
1 382 . 17 1 1 A 36 36 ARG N N 33 121.352 118.497 2.855 1
1 383 . 17 1 1 A 37 37 LYS H H 34 8.256 7.589 0.667 1
1 384 . 17 1 1 A 37 37 LYS HA H 34 4.265 4.398 -0.133 1
1 391 . 17 1 1 A 37 37 LYS C C 34 176.054 175.452 0.602 1
1 392 . 17 1 1 A 37 37 LYS CA C 34 56.220 55.745 0.475 1
1 393 . 17 1 1 A 37 37 LYS CB C 34 33.103 32.398 0.705 1
1 396 . 17 1 1 A 37 37 LYS N N 34 122.458 121.117 1.341 1
1 397 . 17 1 1 A 38 38 ILE H H 35 8.066 7.931 0.135 1
1 398 . 17 1 1 A 38 38 ILE HA H 35 4.053 4.832 -0.779 1
1 408 . 17 1 1 A 38 38 ILE C C 35 175.397 175.718 -0.321 1
1 409 . 17 1 1 A 38 38 ILE CA C 35 60.560 59.555 1.005 1
1 410 . 17 1 1 A 38 38 ILE CB C 35 38.883 39.988 -1.105 1
1 414 . 17 1 1 A 38 38 ILE N N 35 121.996 122.316 -0.320 1
1 415 . 17 1 1 A 39 39 ASP H H 36 8.270 8.792 -0.522 1
1 416 . 17 1 1 A 39 39 ASP HA H 36 4.824 4.801 0.023 1
1 419 . 17 1 1 A 39 39 ASP CA C 36 52.138 52.778 -0.640 1
1 420 . 17 1 1 A 39 39 ASP CB C 36 42.009 40.334 1.675 1
1 421 . 17 1 1 A 39 39 ASP N N 36 126.273 123.018 3.255 1
1 422 . 17 1 1 A 40 40 PRO HA H 37 4.295 4.502 -0.207 1
1 429 . 17 1 1 A 40 40 PRO C C 37 177.275 178.072 -0.797 1
1 430 . 17 1 1 A 40 40 PRO CA C 37 63.731 64.075 -0.344 1
1 431 . 17 1 1 A 40 40 PRO CB C 37 32.135 31.770 0.365 1
1 434 . 17 1 1 A 41 41 ILE H H 38 8.115 7.774 0.341 1
1 435 . 17 1 1 A 41 41 ILE HA H 38 4.030 3.782 0.248 1
1 445 . 17 1 1 A 41 41 ILE C C 38 176.993 178.054 -1.061 1
1 446 . 17 1 1 A 41 41 ILE CA C 38 61.790 64.471 -2.681 1
1 447 . 17 1 1 A 41 41 ILE CB C 38 38.132 37.750 0.382 1
1 451 . 17 1 1 A 41 41 ILE N N 38 119.202 117.893 1.309 1
1 452 . 17 1 1 A 42 42 MET H H 39 8.189 8.027 0.162 1
1 453 . 17 1 1 A 42 42 MET HA H 39 4.351 4.484 -0.133 1
1 458 . 17 1 1 A 42 42 MET C C 39 176.962 177.207 -0.245 1
1 459 . 17 1 1 A 42 42 MET CA C 39 55.532 57.548 -2.016 1
1 460 . 17 1 1 A 42 42 MET CB C 39 32.249 33.070 -0.821 1
1 462 . 17 1 1 A 42 42 MET N N 39 120.640 118.882 1.758 1
1 463 . 17 1 1 A 43 43 GLY H H 40 8.105 8.157 -0.052 1
1 464 . 17 1 1 A 43 43 GLY HA2 H 40 3.931 3.934 -0.003 1
1 465 . 17 1 1 A 43 43 GLY HA3 H 40 3.740 3.952 -0.212 1
1 466 . 17 1 1 A 43 43 GLY C C 40 173.707 175.041 -1.334 1
1 467 . 17 1 1 A 43 43 GLY CA C 40 45.455 46.501 -1.046 1
1 468 . 17 1 1 A 43 43 GLY N N 40 108.720 107.584 1.136 1
1 469 . 17 1 1 A 44 44 TYR H H 41 7.984 8.297 -0.313 1
1 470 . 17 1 1 A 44 44 TYR HA H 41 4.609 4.532 0.077 1
1 477 . 17 1 1 A 44 44 TYR C C 41 175.929 175.776 0.153 1
1 478 . 17 1 1 A 44 44 TYR CA C 41 57.847 57.766 0.081 1
1 479 . 17 1 1 A 44 44 TYR CB C 41 39.008 39.309 -0.301 1
1 482 . 17 1 1 A 44 44 TYR N N 41 120.435 117.383 3.052 1
1 483 . 17 1 1 A 45 45 THR H H 42 8.112 7.538 0.574 1
1 484 . 17 1 1 A 45 45 THR HA H 42 4.281 4.375 -0.094 1
1 486 . 17 1 1 A 45 45 THR C C 42 177.024 174.493 2.531 1
1 487 . 17 1 1 A 45 45 THR CA C 42 61.540 60.671 0.869 1
1 488 . 17 1 1 A 45 45 THR CB C 42 70.145 65.761 4.384 1
1 489 . 17 1 1 A 45 45 THR N N 42 116.187 116.596 -0.409 1
1 490 . 17 1 1 A 46 46 SER H H 43 8.447 8.085 0.362 1
1 491 . 17 1 1 A 46 46 SER N N 43 121.723 121.187 0.536 1
1 492 . 17 1 1 A 47 47 SER HA H 44 4.224 4.188 0.036 1
1 495 . 17 1 1 A 47 47 SER CA C 44 59.935 61.146 -1.211 1
1 496 . 17 1 1 A 47 47 SER CB C 44 64.763 63.745 1.018 1
1 497 . 17 1 1 A 48 48 SER HA H 45 4.365 4.078 0.287 1
1 500 . 17 1 1 A 48 48 SER C C 45 174.302 173.763 0.539 1
1 501 . 17 1 1 A 48 48 SER CA C 45 58.704 59.483 -0.779 1
1 502 . 17 1 1 A 48 48 SER CB C 45 63.564 62.800 0.764 1
1 503 . 17 1 1 A 49 49 ASP H H 46 8.198 7.973 0.225 1
1 504 . 17 1 1 A 49 49 ASP HA H 46 4.553 4.635 -0.082 1
1 507 . 17 1 1 A 49 49 ASP C C 46 176.211 175.813 0.398 1
1 508 . 17 1 1 A 49 49 ASP CA C 46 54.572 52.467 2.105 1
1 509 . 17 1 1 A 49 49 ASP CB C 46 40.971 39.563 1.408 1
1 510 . 17 1 1 A 49 49 ASP N N 46 121.811 121.177 0.634 1
1 511 . 17 1 1 A 50 50 MET H H 47 8.089 8.263 -0.174 1
1 512 . 17 1 1 A 50 50 MET HA H 47 4.374 4.075 0.299 1
1 517 . 17 1 1 A 50 50 MET C C 47 176.100 174.939 1.161 1
1 518 . 17 1 1 A 50 50 MET CA C 47 55.595 58.054 -2.459 1
1 519 . 17 1 1 A 50 50 MET CB C 47 32.625 31.092 1.533 1
1 521 . 17 1 1 A 50 50 MET N N 47 120.102 119.691 0.411 1
1 522 . 17 1 1 A 51 51 LYS H H 48 8.198 7.435 0.763 1
1 523 . 17 1 1 A 51 51 LYS HA H 48 4.343 4.639 -0.296 1
1 532 . 17 1 1 A 51 51 LYS C C 48 176.273 175.064 1.209 1
1 533 . 17 1 1 A 51 51 LYS CA C 48 56.158 55.139 1.019 1
1 534 . 17 1 1 A 51 51 LYS CB C 48 33.042 35.340 -2.298 1
1 538 . 17 1 1 A 51 51 LYS N N 48 121.811 113.123 8.688 1
1 539 . 17 1 1 A 52 52 GLN H H 49 8.372 8.390 -0.018 1
1 540 . 17 1 1 A 52 52 GLN HA H 49 4.330 4.582 -0.252 1
1 545 . 17 1 1 A 52 52 GLN C C 49 175.303 174.698 0.605 1
1 546 . 17 1 1 A 52 52 GLN CA C 49 55.180 53.819 1.361 1
1 547 . 17 1 1 A 52 52 GLN CB C 49 30.017 29.136 0.881 1
1 549 . 17 1 1 A 52 52 GLN N N 49 120.928 119.166 1.762 1
1 550 . 17 1 1 A 53 53 GLN H H 50 8.366 8.443 -0.077 1
1 551 . 17 1 1 A 53 53 GLN HA H 50 4.455 5.054 -0.599 1
1 558 . 17 1 1 A 53 53 GLN C C 50 175.616 175.830 -0.214 1
1 559 . 17 1 1 A 53 53 GLN CA C 50 55.825 54.423 1.402 1
1 560 . 17 1 1 A 53 53 GLN CB C 50 29.988 30.089 -0.101 1
1 562 . 17 1 1 A 53 53 GLN N N 50 122.169 118.378 3.791 1
1 564 . 17 1 1 A 54 54 VAL H H 51 8.577 8.363 0.214 1
1 565 . 17 1 1 A 54 54 VAL HA H 51 3.999 4.503 -0.504 1
1 570 . 17 1 1 A 54 54 VAL C C 51 174.678 175.219 -0.541 1
1 571 . 17 1 1 A 54 54 VAL CA C 51 62.792 60.725 2.067 1
1 572 . 17 1 1 A 54 54 VAL CB C 51 32.809 32.932 -0.123 1
1 574 . 17 1 1 A 54 54 VAL N N 51 124.540 120.202 4.338 1
1 575 . 17 1 1 A 55 55 LYS H H 52 8.025 9.198 -1.173 1
1 576 . 17 1 1 A 55 55 LYS HA H 52 5.098 5.538 -0.440 1
1 585 . 17 1 1 A 55 55 LYS C C 52 175.397 174.482 0.915 1
1 586 . 17 1 1 A 55 55 LYS CA C 52 55.259 54.663 0.596 1
1 587 . 17 1 1 A 55 55 LYS CB C 52 35.090 36.155 -1.065 1
1 591 . 17 1 1 A 55 55 LYS N N 52 123.649 120.261 3.388 1
1 592 . 17 1 1 A 56 56 LEU H H 53 8.965 9.033 -0.068 1
1 593 . 17 1 1 A 56 56 LEU HA H 53 4.527 4.988 -0.461 1
1 602 . 17 1 1 A 56 56 LEU C C 53 175.272 176.157 -0.885 1
1 603 . 17 1 1 A 56 56 LEU CA C 53 53.385 53.134 0.251 1
1 604 . 17 1 1 A 56 56 LEU CB C 53 45.496 45.352 0.144 1
1 607 . 17 1 1 A 56 56 LEU N N 53 125.718 124.398 1.320 1
1 608 . 17 1 1 A 57 57 THR H H 54 7.647 8.861 -1.214 1
1 609 . 17 1 1 A 57 57 THR HA H 54 5.197 5.350 -0.153 1
1 614 . 17 1 1 A 57 57 THR C C 54 173.426 173.205 0.221 1
1 615 . 17 1 1 A 57 57 THR CA C 54 60.016 59.557 0.459 1
1 616 . 17 1 1 A 57 57 THR CB C 54 71.074 71.218 -0.144 1
1 618 . 17 1 1 A 57 57 THR N N 54 110.955 112.282 -1.327 1
1 619 . 17 1 1 A 58 58 PHE H H 55 9.240 8.875 0.365 1
1 620 . 17 1 1 A 58 58 PHE HA H 55 4.703 4.919 -0.216 1
1 626 . 17 1 1 A 58 58 PHE C C 55 175.225 176.103 -0.878 1
1 627 . 17 1 1 A 58 58 PHE CA C 55 56.721 56.429 0.292 1
1 628 . 17 1 1 A 58 58 PHE CB C 55 44.606 43.500 1.106 1
1 631 . 17 1 1 A 58 58 PHE N N 55 119.380 119.637 -0.257 1
1 632 . 17 1 1 A 59 59 GLU H H 56 8.828 8.850 -0.022 1
1 633 . 17 1 1 A 59 59 GLU HA H 56 4.390 4.296 0.094 1
1 638 . 17 1 1 A 59 59 GLU C C 56 176.868 176.738 0.130 1
1 639 . 17 1 1 A 59 59 GLU CA C 56 58.849 59.080 -0.231 1
1 640 . 17 1 1 A 59 59 GLU CB C 56 30.977 30.603 0.374 1
1 642 . 17 1 1 A 59 59 GLU N N 56 119.209 121.407 -2.198 1
1 643 . 17 1 1 A 60 60 THR H H 57 7.090 7.666 -0.576 1
1 644 . 17 1 1 A 60 60 THR HA H 57 4.538 4.460 0.078 1
1 649 . 17 1 1 A 60 60 THR C C 57 173.113 174.963 -1.850 1
1 650 . 17 1 1 A 60 60 THR CA C 57 58.619 59.416 -0.797 1
1 651 . 17 1 1 A 60 60 THR CB C 57 72.972 72.685 0.287 1
1 653 . 17 1 1 A 60 60 THR N N 57 102.317 110.307 -7.990 1
1 654 . 17 1 1 A 61 61 GLN H H 58 7.590 7.686 -0.096 1
1 655 . 17 1 1 A 61 61 GLN HA H 58 2.307 3.533 -1.226 1
1 662 . 17 1 1 A 61 61 GLN C C 58 177.713 177.262 0.451 1
1 663 . 17 1 1 A 61 61 GLN CA C 58 58.692 58.819 -0.127 1
1 664 . 17 1 1 A 61 61 GLN CB C 58 27.689 27.760 -0.071 1
1 666 . 17 1 1 A 61 61 GLN N N 58 122.133 120.944 1.189 1
1 668 . 17 1 1 A 62 62 GLU H H 59 8.587 8.059 0.528 1
1 669 . 17 1 1 A 62 62 GLU HA H 59 3.673 3.821 -0.148 1
1 674 . 17 1 1 A 62 62 GLU C C 59 179.337 179.258 0.079 1
1 675 . 17 1 1 A 62 62 GLU CA C 59 59.847 59.170 0.677 1
1 676 . 17 1 1 A 62 62 GLU CB C 59 28.578 29.168 -0.590 1
1 678 . 17 1 1 A 62 62 GLU N N 59 117.069 118.375 -1.306 1
1 679 . 17 1 1 A 63 63 GLN H H 60 7.671 7.759 -0.088 1
1 680 . 17 1 1 A 63 63 GLN HA H 60 3.812 3.836 -0.024 1
1 687 . 17 1 1 A 63 63 GLN C C 60 178.339 177.702 0.637 1
1 688 . 17 1 1 A 63 63 GLN CA C 60 58.411 58.531 -0.120 1
1 689 . 17 1 1 A 63 63 GLN CB C 60 29.308 28.258 1.050 1
1 691 . 17 1 1 A 63 63 GLN N N 60 118.959 118.635 0.324 1
1 693 . 17 1 1 A 64 64 ALA H H 61 6.836 7.470 -0.634 1
1 694 . 17 1 1 A 64 64 ALA HA H 61 1.982 3.411 -1.429 1
1 698 . 17 1 1 A 64 64 ALA C C 61 178.151 179.250 -1.099 1
1 699 . 17 1 1 A 64 64 ALA CA C 61 54.112 54.745 -0.633 1
1 700 . 17 1 1 A 64 64 ALA CB C 61 18.627 18.217 0.410 1
1 701 . 17 1 1 A 64 64 ALA N N 61 123.296 122.494 0.802 1
1 702 . 17 1 1 A 65 65 GLU H H 62 8.014 8.028 -0.014 1
1 703 . 17 1 1 A 65 65 GLU HA H 62 2.853 3.519 -0.666 1
1 708 . 17 1 1 A 65 65 GLU C C 62 177.901 178.676 -0.775 1
1 709 . 17 1 1 A 65 65 GLU CA C 62 60.601 58.992 1.609 1
1 710 . 17 1 1 A 65 65 GLU CB C 62 30.597 28.509 2.088 1
1 712 . 17 1 1 A 65 65 GLU N N 62 115.643 116.343 -0.700 1
1 713 . 17 1 1 A 66 66 ALA H H 63 7.954 7.702 0.252 1
1 714 . 17 1 1 A 66 66 ALA HA H 63 3.812 4.020 -0.208 1
1 718 . 17 1 1 A 66 66 ALA C C 63 180.245 179.418 0.827 1
1 719 . 17 1 1 A 66 66 ALA CA C 63 54.968 54.725 0.243 1
1 720 . 17 1 1 A 66 66 ALA CB C 63 17.876 18.076 -0.200 1
1 721 . 17 1 1 A 66 66 ALA N N 63 120.250 121.719 -1.469 1
1 722 . 17 1 1 A 67 67 TYR H H 64 7.373 7.459 -0.086 1
1 723 . 17 1 1 A 67 67 TYR HA H 64 3.789 4.081 -0.292 1
1 730 . 17 1 1 A 67 67 TYR C C 64 176.680 176.681 -0.001 1
1 731 . 17 1 1 A 67 67 TYR CA C 64 61.624 61.629 -0.005 1
1 732 . 17 1 1 A 67 67 TYR CB C 64 38.947 38.490 0.457 1
1 735 . 17 1 1 A 67 67 TYR N N 64 119.523 119.965 -0.442 1
1 736 . 17 1 1 A 68 68 ALA H H 65 7.653 7.920 -0.267 1
1 737 . 17 1 1 A 68 68 ALA HA H 65 3.608 3.820 -0.212 1
1 741 . 17 1 1 A 68 68 ALA C C 65 179.650 179.821 -0.171 1
1 742 . 17 1 1 A 68 68 ALA CA C 65 55.407 55.268 0.139 1
1 743 . 17 1 1 A 68 68 ALA CB C 65 18.001 17.937 0.064 1
1 744 . 17 1 1 A 68 68 ALA N N 65 120.416 121.656 -1.240 1
1 745 . 17 1 1 A 69 69 GLN H H 66 8.491 8.204 0.287 1
1 746 . 17 1 1 A 69 69 GLN HA H 66 4.150 4.012 0.138 1
1 753 . 17 1 1 A 69 69 GLN C C 66 180.119 178.841 1.278 1
1 754 . 17 1 1 A 69 69 GLN CA C 66 58.639 58.698 -0.059 1
1 755 . 17 1 1 A 69 69 GLN CB C 66 28.035 28.417 -0.382 1
1 757 . 17 1 1 A 69 69 GLN N N 66 115.832 117.157 -1.325 1
1 759 . 17 1 1 A 70 70 ARG H H 67 7.962 7.715 0.247 1
1 760 . 17 1 1 A 70 70 ARG HA H 67 3.991 3.966 0.025 1
1 767 . 17 1 1 A 70 70 ARG C C 67 178.370 178.077 0.293 1
1 768 . 17 1 1 A 70 70 ARG CA C 67 58.849 58.989 -0.140 1
1 769 . 17 1 1 A 70 70 ARG CB C 67 29.735 29.732 0.003 1
1 772 . 17 1 1 A 70 70 ARG N N 67 120.213 120.439 -0.226 1
1 773 . 17 1 1 A 71 71 LYS H H 68 7.506 7.230 0.276 1
1 774 . 17 1 1 A 71 71 LYS HA H 68 4.132 4.164 -0.032 1
1 783 . 17 1 1 A 71 71 LYS C C 68 176.712 176.927 -0.215 1
1 784 . 17 1 1 A 71 71 LYS CA C 68 54.781 55.809 -1.028 1
1 785 . 17 1 1 A 71 71 LYS CB C 68 32.447 32.895 -0.448 1
1 789 . 17 1 1 A 71 71 LYS N N 68 115.757 115.720 0.037 1
1 790 . 17 1 1 A 72 72 GLY H H 69 7.680 7.711 -0.031 1
1 791 . 17 1 1 A 72 72 GLY HA2 H 69 3.887 3.928 -0.041 1
1 792 . 17 1 1 A 72 72 GLY HA3 H 69 3.818 3.936 -0.118 1
1 793 . 17 1 1 A 72 72 GLY C C 69 175.415 174.317 1.098 1
1 794 . 17 1 1 A 72 72 GLY CA C 69 46.621 45.128 1.493 1
1 795 . 17 1 1 A 72 72 GLY N N 69 109.542 105.846 3.696 1
1 796 . 17 1 1 A 73 73 ILE H H 70 8.180 7.410 0.770 1
1 797 . 17 1 1 A 73 73 ILE HA H 70 3.951 3.952 -0.001 1
1 805 . 17 1 1 A 73 73 ILE C C 70 175.835 175.664 0.171 1
1 806 . 17 1 1 A 73 73 ILE CA C 70 60.560 61.095 -0.535 1
1 807 . 17 1 1 A 73 73 ILE CB C 70 40.035 37.714 2.321 1
1 810 . 17 1 1 A 73 73 ILE N N 70 121.234 122.947 -1.713 1
1 811 . 17 1 1 A 74 74 GLU H H 71 8.428 8.509 -0.081 1
1 812 . 17 1 1 A 74 74 GLU HA H 71 4.289 4.273 0.016 1
1 817 . 17 1 1 A 74 74 GLU C C 71 175.460 176.478 -1.018 1
1 818 . 17 1 1 A 74 74 GLU CA C 71 56.533 56.847 -0.314 1
1 819 . 17 1 1 A 74 74 GLU CB C 71 29.683 29.850 -0.167 1
1 821 . 17 1 1 A 74 74 GLU N N 71 129.096 128.102 0.994 1
1 822 . 17 1 1 A 75 75 TYR H H 72 8.004 8.640 -0.636 1
1 823 . 17 1 1 A 75 75 TYR HA H 72 5.805 5.953 -0.148 1
1 830 . 17 1 1 A 75 75 TYR C C 72 173.332 172.535 0.797 1
1 831 . 17 1 1 A 75 75 TYR CA C 72 55.323 55.489 -0.166 1
1 832 . 17 1 1 A 75 75 TYR CB C 72 42.290 42.318 -0.028 1
1 835 . 17 1 1 A 75 75 TYR N N 72 120.850 117.940 2.910 1
1 836 . 17 1 1 A 76 76 ARG H H 73 7.936 9.029 -1.093 1
1 837 . 17 1 1 A 76 76 ARG HA H 73 4.656 5.048 -0.392 1
1 844 . 17 1 1 A 76 76 ARG C C 73 174.302 174.700 -0.398 1
1 845 . 17 1 1 A 76 76 ARG CA C 73 53.883 54.383 -0.500 1
1 846 . 17 1 1 A 76 76 ARG CB C 73 32.856 33.512 -0.656 1
1 849 . 17 1 1 A 76 76 ARG N N 73 117.640 121.512 -3.872 1
1 850 . 17 1 1 A 77 77 VAL H H 74 8.859 9.093 -0.234 1
1 851 . 17 1 1 A 77 77 VAL HA H 74 4.885 5.086 -0.201 1
1 859 . 17 1 1 A 77 77 VAL C C 74 176.023 175.123 0.900 1
1 860 . 17 1 1 A 77 77 VAL CA C 74 61.540 61.812 -0.272 1
1 861 . 17 1 1 A 77 77 VAL CB C 74 32.377 33.382 -1.005 1
1 864 . 17 1 1 A 77 77 VAL N N 74 124.091 127.129 -3.038 1
1 865 . 17 1 1 A 78 78 ILE H H 75 9.282 9.484 -0.202 1
1 866 . 17 1 1 A 78 78 ILE HA H 75 4.297 4.899 -0.602 1
1 876 . 17 1 1 A 78 78 ILE C C 75 175.178 176.110 -0.932 1
1 877 . 17 1 1 A 78 78 ILE CA C 75 59.850 59.745 0.105 1
1 878 . 17 1 1 A 78 78 ILE CB C 75 37.546 40.085 -2.539 1
1 882 . 17 1 1 A 78 78 ILE N N 75 130.317 128.772 1.545 1
1 883 . 17 1 1 A 79 79 LEU H H 76 8.428 8.778 -0.350 1
1 884 . 17 1 1 A 79 79 LEU HA H 76 4.747 4.557 0.190 1
1 894 . 17 1 1 A 79 79 LEU CA C 76 52.672 54.005 -1.333 1
1 895 . 17 1 1 A 79 79 LEU CB C 76 41.865 41.960 -0.095 1
1 899 . 17 1 1 A 79 79 LEU N N 76 128.194 128.975 -0.781 1
1 900 . 17 1 1 A 80 80 PRO HA H 77 4.402 4.675 -0.273 1
1 907 . 17 1 1 A 80 80 PRO C C 77 177.087 177.137 -0.050 1
1 908 . 17 1 1 A 80 80 PRO CA C 77 63.104 61.932 1.172 1
1 909 . 17 1 1 A 80 80 PRO CB C 77 32.145 32.779 -0.634 1
1 912 . 17 1 1 A 81 81 LYS H H 78 8.373 8.660 -0.287 1
1 913 . 17 1 1 A 81 81 LYS HA H 78 4.205 4.022 0.183 1
1 922 . 17 1 1 A 81 81 LYS C C 78 174.200 176.760 -2.560 1
1 923 . 17 1 1 A 81 81 LYS CA C 78 57.050 58.557 -1.507 1
1 924 . 17 1 1 A 81 81 LYS CB C 78 32.750 31.760 0.990 1
1 928 . 17 1 1 A 81 81 LYS N N 78 121.644 120.423 1.221 1
1 929 . 17 1 1 A 82 82 GLU H H 79 8.452 8.127 0.325 1
1 930 . 17 1 1 A 82 82 GLU HA H 79 4.216 4.578 -0.362 1
1 935 . 17 1 1 A 82 82 GLU C C 79 176.336 176.786 -0.450 1
1 936 . 17 1 1 A 82 82 GLU CA C 79 56.533 55.373 1.160 1
1 937 . 17 1 1 A 82 82 GLU CB C 79 29.996 29.635 0.361 1
1 939 . 17 1 1 A 82 82 GLU N N 79 121.461 116.083 5.378 1
1 10 . 18 1 1 A 5 5 SER H H 2 8.403 9.177 -0.774 1
1 11 . 18 1 1 A 5 5 SER HA H 2 5.099 5.422 -0.323 1
1 14 . 18 1 1 A 5 5 SER C C 2 173.833 173.183 0.650 1
1 15 . 18 1 1 A 5 5 SER CA C 2 57.556 57.798 -0.242 1
1 16 . 18 1 1 A 5 5 SER CB C 2 65.337 65.349 -0.012 1
1 17 . 18 1 1 A 5 5 SER N N 2 116.747 120.380 -3.633 1
1 18 . 18 1 1 A 6 6 ALA H H 3 8.552 9.181 -0.629 1
1 19 . 18 1 1 A 6 6 ALA HA H 3 5.040 5.478 -0.438 1
1 23 . 18 1 1 A 6 6 ALA C C 3 176.117 176.938 -0.821 1
1 24 . 18 1 1 A 6 6 ALA CA C 3 51.500 50.534 0.966 1
1 25 . 18 1 1 A 6 6 ALA CB C 3 23.991 20.561 3.430 1
1 26 . 18 1 1 A 6 6 ALA N N 3 123.072 129.667 -6.595 1
1 27 . 18 1 1 A 7 7 LYS H H 4 8.706 9.519 -0.813 1
1 28 . 18 1 1 A 7 7 LYS HA H 4 5.428 5.521 -0.093 1
1 37 . 18 1 1 A 7 7 LYS C C 4 174.490 175.562 -1.072 1
1 38 . 18 1 1 A 7 7 LYS CA C 4 54.280 55.264 -0.984 1
1 39 . 18 1 1 A 7 7 LYS CB C 4 36.399 34.691 1.708 1
1 43 . 18 1 1 A 7 7 LYS N N 4 117.868 120.885 -3.017 1
1 44 . 18 1 1 A 8 8 ILE H H 5 8.752 8.818 -0.066 1
1 45 . 18 1 1 A 8 8 ILE HA H 5 5.741 5.226 0.515 1
1 55 . 18 1 1 A 8 8 ILE C C 5 174.552 174.989 -0.437 1
1 56 . 18 1 1 A 8 8 ILE CA C 5 59.953 60.677 -0.724 1
1 57 . 18 1 1 A 8 8 ILE CB C 5 41.115 38.828 2.287 1
1 61 . 18 1 1 A 8 8 ILE N N 5 122.521 126.422 -3.901 1
1 62 . 18 1 1 A 9 9 TYR H H 6 8.980 8.859 0.121 1
1 63 . 18 1 1 A 9 9 TYR HA H 6 5.214 5.859 -0.645 1
1 68 . 18 1 1 A 9 9 TYR C C 6 171.856 172.711 -0.855 1
1 69 . 18 1 1 A 9 9 TYR CA C 6 56.053 55.792 0.261 1
1 70 . 18 1 1 A 9 9 TYR CB C 6 40.371 41.836 -1.465 1
1 72 . 18 1 1 A 9 9 TYR N N 6 122.495 124.750 -2.255 1
1 73 . 18 1 1 A 10 10 ARG H H 7 8.830 8.657 0.173 1
1 74 . 18 1 1 A 10 10 ARG HA H 7 4.498 4.585 -0.087 1
1 81 . 18 1 1 A 10 10 ARG CA C 7 51.891 52.802 -0.911 1
1 82 . 18 1 1 A 10 10 ARG CB C 7 30.299 32.027 -1.728 1
1 85 . 18 1 1 A 10 10 ARG N N 7 122.632 120.672 1.960 1
1 86 . 18 1 1 A 11 11 PRO HA H 8 4.369 4.683 -0.314 1
1 93 . 18 1 1 A 11 11 PRO C C 8 176.086 177.763 -1.677 1
1 94 . 18 1 1 A 11 11 PRO CA C 8 62.730 62.623 0.107 1
1 95 . 18 1 1 A 11 11 PRO CB C 8 32.364 31.928 0.436 1
1 98 . 18 1 1 A 12 12 ALA H H 9 8.384 8.633 -0.249 1
1 99 . 18 1 1 A 12 12 ALA HA H 9 4.193 4.023 0.170 1
1 103 . 18 1 1 A 12 12 ALA C C 9 177.948 178.368 -0.420 1
1 104 . 18 1 1 A 12 12 ALA CA C 9 52.406 54.908 -2.502 1
1 105 . 18 1 1 A 12 12 ALA CB C 9 19.441 18.326 1.115 1
1 106 . 18 1 1 A 12 12 ALA N N 9 124.348 127.432 -3.084 1
1 107 . 18 1 1 A 13 13 LYS H H 10 8.242 8.127 0.115 1
1 108 . 18 1 1 A 13 13 LYS HA H 10 4.289 4.188 0.101 1
1 117 . 18 1 1 A 13 13 LYS C C 10 176.555 178.539 -1.984 1
1 118 . 18 1 1 A 13 13 LYS CA C 10 56.345 57.750 -1.405 1
1 119 . 18 1 1 A 13 13 LYS CB C 10 33.052 32.578 0.474 1
1 123 . 18 1 1 A 13 13 LYS N N 10 120.348 115.907 4.441 1
1 124 . 18 1 1 A 14 14 THR H H 11 7.950 7.433 0.517 1
1 125 . 18 1 1 A 14 14 THR HA H 11 4.320 4.152 0.168 1
1 130 . 18 1 1 A 14 14 THR C C 11 174.302 174.290 0.012 1
1 131 . 18 1 1 A 14 14 THR CA C 11 61.603 64.977 -3.374 1
1 132 . 18 1 1 A 14 14 THR CB C 11 69.699 69.492 0.207 1
1 134 . 18 1 1 A 14 14 THR N N 11 112.991 114.444 -1.453 1
1 135 . 18 1 1 A 15 15 ALA H H 12 8.189 7.502 0.687 1
1 136 . 18 1 1 A 15 15 ALA HA H 12 4.250 4.526 -0.276 1
1 140 . 18 1 1 A 15 15 ALA C C 12 177.838 176.044 1.794 1
1 141 . 18 1 1 A 15 15 ALA CA C 12 52.840 51.297 1.543 1
1 142 . 18 1 1 A 15 15 ALA CB C 12 19.231 22.604 -3.373 1
1 143 . 18 1 1 A 15 15 ALA N N 12 125.979 119.971 6.008 1
1 144 . 18 1 1 A 16 16 MET H H 13 8.110 8.691 -0.581 1
1 145 . 18 1 1 A 16 16 MET HA H 13 4.374 4.516 -0.142 1
1 150 . 18 1 1 A 16 16 MET C C 13 176.148 176.193 -0.045 1
1 151 . 18 1 1 A 16 16 MET CA C 13 55.595 55.447 0.148 1
1 152 . 18 1 1 A 16 16 MET CB C 13 32.625 32.334 0.291 1
1 154 . 18 1 1 A 16 16 MET N N 13 118.186 119.738 -1.552 1
1 155 . 18 1 1 A 17 17 GLN H H 14 8.198 8.378 -0.180 1
1 156 . 18 1 1 A 17 17 GLN HA H 14 4.273 4.585 -0.312 1
1 161 . 18 1 1 A 17 17 GLN C C 14 175.992 176.221 -0.229 1
1 162 . 18 1 1 A 17 17 GLN CA C 14 56.032 56.170 -0.138 1
1 163 . 18 1 1 A 17 17 GLN CB C 14 29.371 28.897 0.474 1
1 165 . 18 1 1 A 17 17 GLN N N 14 121.811 124.653 -2.842 1
1 166 . 18 1 1 A 18 18 SER H H 15 8.275 8.444 -0.169 1
1 167 . 18 1 1 A 18 18 SER HA H 15 4.379 4.679 -0.300 1
1 170 . 18 1 1 A 18 18 SER C C 15 175.053 174.328 0.725 1
1 171 . 18 1 1 A 18 18 SER CA C 15 58.536 57.877 0.659 1
1 172 . 18 1 1 A 18 18 SER CB C 15 63.856 63.357 0.499 1
1 173 . 18 1 1 A 18 18 SER N N 15 116.768 121.700 -4.932 1
1 174 . 18 1 1 A 19 19 GLY H H 16 8.430 8.213 0.217 1
1 175 . 18 1 1 A 19 19 GLY HA2 H 16 4.031 3.987 0.044 1
1 176 . 18 1 1 A 19 19 GLY HA3 H 16 3.906 3.988 -0.082 1
1 177 . 18 1 1 A 19 19 GLY C C 16 174.490 173.480 1.010 1
1 178 . 18 1 1 A 19 19 GLY CA C 16 45.580 46.279 -0.699 1
1 179 . 18 1 1 A 19 19 GLY N N 16 111.050 110.222 0.828 1
1 180 . 18 1 1 A 20 20 THR H H 17 7.950 7.781 0.169 1
1 181 . 18 1 1 A 20 20 THR HA H 17 4.289 4.765 -0.476 1
1 185 . 18 1 1 A 20 20 THR C C 17 174.427 174.194 0.233 1
1 186 . 18 1 1 A 20 20 THR CA C 17 61.477 59.863 1.614 1
1 188 . 18 1 1 A 20 20 THR N N 17 112.991 113.521 -0.530 1
1 189 . 18 1 1 A 21 21 ALA H H 18 8.247 8.929 -0.682 1
1 190 . 18 1 1 A 21 21 ALA N N 18 125.213 127.289 -2.076 1
1 191 . 18 1 1 A 22 22 LYS HA H 19 4.265 4.025 0.240 1
1 200 . 18 1 1 A 22 22 LYS C C 19 176.774 179.128 -2.354 1
1 201 . 18 1 1 A 22 22 LYS CA C 19 56.596 59.539 -2.943 1
1 202 . 18 1 1 A 22 22 LYS CB C 19 33.126 32.236 0.890 1
1 206 . 18 1 1 A 23 23 THR H H 20 8.004 7.729 0.275 1
1 207 . 18 1 1 A 23 23 THR HA H 20 4.333 4.226 0.107 1
1 212 . 18 1 1 A 23 23 THR C C 20 174.083 174.359 -0.276 1
1 213 . 18 1 1 A 23 23 THR CA C 20 61.682 63.578 -1.896 1
1 214 . 18 1 1 A 23 23 THR CB C 20 69.908 69.086 0.822 1
1 216 . 18 1 1 A 23 23 THR N N 20 113.978 110.756 3.222 1
1 217 . 18 1 1 A 24 24 ASN H H 21 8.289 7.587 0.702 1
1 218 . 18 1 1 A 24 24 ASN HA H 21 4.689 5.183 -0.494 1
1 223 . 18 1 1 A 24 24 ASN C C 21 174.177 174.417 -0.240 1
1 224 . 18 1 1 A 24 24 ASN CA C 21 52.966 52.030 0.936 1
1 225 . 18 1 1 A 24 24 ASN CB C 21 38.404 40.396 -1.992 1
1 226 . 18 1 1 A 24 24 ASN N N 21 118.085 118.935 -0.850 1
1 228 . 18 1 1 A 25 25 VAL H H 22 7.381 8.823 -1.442 1
1 229 . 18 1 1 A 25 25 VAL HA H 22 4.336 5.032 -0.696 1
1 237 . 18 1 1 A 25 25 VAL C C 22 174.271 175.263 -0.992 1
1 238 . 18 1 1 A 25 25 VAL CA C 22 61.540 59.786 1.754 1
1 239 . 18 1 1 A 25 25 VAL CB C 22 33.771 34.344 -0.573 1
1 242 . 18 1 1 A 25 25 VAL N N 22 115.156 117.517 -2.361 1
1 243 . 18 1 1 A 26 26 TRP H H 23 8.581 9.009 -0.428 1
1 244 . 18 1 1 A 26 26 TRP HA H 23 4.430 5.263 -0.833 1
1 253 . 18 1 1 A 26 26 TRP C C 23 174.803 175.547 -0.744 1
1 254 . 18 1 1 A 26 26 TRP CA C 23 56.721 56.472 0.249 1
1 255 . 18 1 1 A 26 26 TRP CB C 23 30.651 30.640 0.011 1
1 261 . 18 1 1 A 26 26 TRP N N 23 120.570 123.038 -2.468 1
1 263 . 18 1 1 A 27 27 VAL H H 24 9.122 8.810 0.312 1
1 264 . 18 1 1 A 27 27 VAL HA H 24 4.774 4.762 0.012 1
1 272 . 18 1 1 A 27 27 VAL C C 24 173.739 174.041 -0.302 1
1 273 . 18 1 1 A 27 27 VAL CA C 24 60.101 61.480 -1.379 1
1 274 . 18 1 1 A 27 27 VAL CB C 24 34.726 33.304 1.422 1
1 277 . 18 1 1 A 27 27 VAL N N 24 121.265 123.248 -1.983 1
1 278 . 18 1 1 A 28 28 LEU H H 25 8.713 9.115 -0.402 1
1 279 . 18 1 1 A 28 28 LEU HA H 25 5.126 5.221 -0.095 1
1 288 . 18 1 1 A 28 28 LEU C C 25 174.177 174.730 -0.553 1
1 289 . 18 1 1 A 28 28 LEU CA C 25 53.863 53.626 0.237 1
1 290 . 18 1 1 A 28 28 LEU CB C 25 46.227 44.693 1.534 1
1 293 . 18 1 1 A 28 28 LEU N N 25 125.972 129.858 -3.886 1
1 294 . 18 1 1 A 29 29 GLU H H 26 9.283 9.110 0.173 1
1 295 . 18 1 1 A 29 29 GLU HA H 26 5.353 5.429 -0.076 1
1 300 . 18 1 1 A 29 29 GLU C C 26 175.867 175.475 0.392 1
1 301 . 18 1 1 A 29 29 GLU CA C 26 53.883 54.982 -1.099 1
1 302 . 18 1 1 A 29 29 GLU CB C 26 34.594 32.630 1.964 1
1 304 . 18 1 1 A 29 29 GLU N N 26 127.083 127.349 -0.266 1
1 305 . 18 1 1 A 30 30 PHE H H 27 8.761 8.787 -0.026 1
1 306 . 18 1 1 A 30 30 PHE HA H 27 4.797 5.685 -0.888 1
1 313 . 18 1 1 A 30 30 PHE C C 27 174.959 172.559 2.400 1
1 314 . 18 1 1 A 30 30 PHE CA C 27 58.160 55.326 2.834 1
1 315 . 18 1 1 A 30 30 PHE CB C 27 40.218 42.298 -2.080 1
1 318 . 18 1 1 A 30 30 PHE N N 27 125.378 121.121 4.257 1
1 319 . 18 1 1 A 31 31 ASP H H 28 8.705 8.248 0.457 1
1 320 . 18 1 1 A 31 31 ASP HA H 28 4.735 4.573 0.162 1
1 323 . 18 1 1 A 31 31 ASP C C 28 175.898 174.809 1.089 1
1 324 . 18 1 1 A 31 31 ASP CA C 28 54.468 53.891 0.577 1
1 325 . 18 1 1 A 31 31 ASP CB C 28 41.529 40.572 0.957 1
1 326 . 18 1 1 A 31 31 ASP N N 28 121.546 121.714 -0.168 1
1 327 . 18 1 1 A 32 32 ALA H H 29 8.527 8.257 0.270 1
1 328 . 18 1 1 A 32 32 ALA HA H 29 4.400 4.255 0.145 1
1 332 . 18 1 1 A 32 32 ALA C C 29 177.150 178.162 -1.012 1
1 333 . 18 1 1 A 32 32 ALA CA C 29 52.027 51.541 0.486 1
1 334 . 18 1 1 A 32 32 ALA CB C 29 20.212 18.185 2.027 1
1 335 . 18 1 1 A 32 32 ALA N N 29 124.632 129.265 -4.633 1
1 336 . 18 1 1 A 33 33 GLU H H 30 8.481 8.079 0.402 1
1 337 . 18 1 1 A 33 33 GLU HA H 30 4.281 4.352 -0.071 1
1 342 . 18 1 1 A 33 33 GLU C C 30 176.336 176.193 0.143 1
1 343 . 18 1 1 A 33 33 GLU CA C 30 56.309 56.456 -0.147 1
1 344 . 18 1 1 A 33 33 GLU CB C 30 30.309 28.579 1.730 1
1 346 . 18 1 1 A 33 33 GLU N N 30 120.547 122.350 -1.803 1
1 347 . 18 1 1 A 34 34 VAL H H 31 8.140 7.855 0.285 1
1 348 . 18 1 1 A 34 34 VAL HA H 31 4.332 4.255 0.077 1
1 353 . 18 1 1 A 34 34 VAL CA C 31 60.006 60.575 -0.569 1
1 354 . 18 1 1 A 34 34 VAL CB C 31 32.620 32.728 -0.108 1
1 356 . 18 1 1 A 34 34 VAL N N 31 122.541 122.250 0.291 1
1 357 . 18 1 1 A 35 35 PRO HA H 32 4.343 4.857 -0.514 1
1 364 . 18 1 1 A 35 35 PRO C C 32 176.649 177.072 -0.423 1
1 365 . 18 1 1 A 35 35 PRO CA C 32 63.167 62.235 0.932 1
1 366 . 18 1 1 A 35 35 PRO CB C 32 31.999 31.643 0.356 1
1 369 . 18 1 1 A 36 36 ARG H H 33 8.282 8.885 -0.603 1
1 370 . 18 1 1 A 36 36 ARG HA H 33 4.268 4.439 -0.171 1
1 377 . 18 1 1 A 36 36 ARG C C 33 176.148 175.990 0.158 1
1 378 . 18 1 1 A 36 36 ARG CA C 33 55.845 57.655 -1.810 1
1 379 . 18 1 1 A 36 36 ARG CB C 33 31.061 31.552 -0.491 1
1 382 . 18 1 1 A 36 36 ARG N N 33 121.352 121.239 0.113 1
1 383 . 18 1 1 A 37 37 LYS H H 34 8.256 7.879 0.377 1
1 384 . 18 1 1 A 37 37 LYS HA H 34 4.265 3.979 0.286 1
1 391 . 18 1 1 A 37 37 LYS C C 34 176.054 175.291 0.763 1
1 392 . 18 1 1 A 37 37 LYS CA C 34 56.220 56.859 -0.639 1
1 393 . 18 1 1 A 37 37 LYS CB C 34 33.103 30.934 2.169 1
1 396 . 18 1 1 A 37 37 LYS N N 34 122.458 116.115 6.343 1
1 397 . 18 1 1 A 38 38 ILE H H 35 8.066 7.756 0.310 1
1 398 . 18 1 1 A 38 38 ILE HA H 35 4.053 4.363 -0.310 1
1 408 . 18 1 1 A 38 38 ILE C C 35 175.397 174.868 0.529 1
1 409 . 18 1 1 A 38 38 ILE CA C 35 60.560 61.272 -0.712 1
1 410 . 18 1 1 A 38 38 ILE CB C 35 38.883 38.291 0.592 1
1 414 . 18 1 1 A 38 38 ILE N N 35 121.996 119.710 2.286 1
1 415 . 18 1 1 A 39 39 ASP H H 36 8.270 8.536 -0.266 1
1 416 . 18 1 1 A 39 39 ASP HA H 36 4.824 5.112 -0.288 1
1 419 . 18 1 1 A 39 39 ASP CA C 36 52.138 50.629 1.509 1
1 420 . 18 1 1 A 39 39 ASP CB C 36 42.009 43.496 -1.487 1
1 421 . 18 1 1 A 39 39 ASP N N 36 126.273 127.446 -1.173 1
1 422 . 18 1 1 A 40 40 PRO HA H 37 4.295 4.363 -0.068 1
1 429 . 18 1 1 A 40 40 PRO C C 37 177.275 178.357 -1.082 1
1 430 . 18 1 1 A 40 40 PRO CA C 37 63.731 65.747 -2.016 1
1 431 . 18 1 1 A 40 40 PRO CB C 37 32.135 31.856 0.279 1
1 434 . 18 1 1 A 41 41 ILE H H 38 8.115 7.456 0.659 1
1 435 . 18 1 1 A 41 41 ILE HA H 38 4.030 3.894 0.136 1
1 445 . 18 1 1 A 41 41 ILE C C 38 176.993 177.834 -0.841 1
1 446 . 18 1 1 A 41 41 ILE CA C 38 61.790 63.951 -2.161 1
1 447 . 18 1 1 A 41 41 ILE CB C 38 38.132 36.646 1.486 1
1 451 . 18 1 1 A 41 41 ILE N N 38 119.202 116.875 2.327 1
1 452 . 18 1 1 A 42 42 MET H H 39 8.189 7.600 0.589 1
1 453 . 18 1 1 A 42 42 MET HA H 39 4.351 4.261 0.090 1
1 458 . 18 1 1 A 42 42 MET C C 39 176.962 177.080 -0.118 1
1 459 . 18 1 1 A 42 42 MET CA C 39 55.532 58.195 -2.663 1
1 460 . 18 1 1 A 42 42 MET CB C 39 32.249 32.915 -0.666 1
1 462 . 18 1 1 A 42 42 MET N N 39 120.640 120.524 0.116 1
1 463 . 18 1 1 A 43 43 GLY H H 40 8.105 7.771 0.334 1
1 464 . 18 1 1 A 43 43 GLY HA2 H 40 3.931 4.029 -0.098 1
1 465 . 18 1 1 A 43 43 GLY HA3 H 40 3.740 4.054 -0.314 1
1 466 . 18 1 1 A 43 43 GLY C C 40 173.707 174.290 -0.583 1
1 467 . 18 1 1 A 43 43 GLY CA C 40 45.455 45.631 -0.176 1
1 468 . 18 1 1 A 43 43 GLY N N 40 108.720 107.591 1.129 1
1 469 . 18 1 1 A 44 44 TYR H H 41 7.984 8.290 -0.306 1
1 470 . 18 1 1 A 44 44 TYR HA H 41 4.609 4.463 0.146 1
1 477 . 18 1 1 A 44 44 TYR C C 41 175.929 175.832 0.097 1
1 478 . 18 1 1 A 44 44 TYR CA C 41 57.847 57.456 0.391 1
1 479 . 18 1 1 A 44 44 TYR CB C 41 39.008 38.721 0.287 1
1 482 . 18 1 1 A 44 44 TYR N N 41 120.435 119.600 0.835 1
1 483 . 18 1 1 A 45 45 THR H H 42 8.112 7.684 0.428 1
1 484 . 18 1 1 A 45 45 THR HA H 42 4.281 3.640 0.641 1
1 486 . 18 1 1 A 45 45 THR C C 42 177.024 175.847 1.177 1
1 487 . 18 1 1 A 45 45 THR CA C 42 61.540 65.969 -4.429 1
1 488 . 18 1 1 A 45 45 THR CB C 42 70.145 68.393 1.752 1
1 489 . 18 1 1 A 45 45 THR N N 42 116.187 116.449 -0.262 1
1 490 . 18 1 1 A 46 46 SER H H 43 8.447 8.341 0.106 1
1 491 . 18 1 1 A 46 46 SER N N 43 121.723 116.545 5.178 1
1 492 . 18 1 1 A 47 47 SER HA H 44 4.224 4.695 -0.471 1
1 495 . 18 1 1 A 47 47 SER CA C 44 59.935 58.208 1.727 1
1 496 . 18 1 1 A 47 47 SER CB C 44 64.763 64.019 0.744 1
1 497 . 18 1 1 A 48 48 SER HA H 45 4.365 4.251 0.114 1
1 500 . 18 1 1 A 48 48 SER C C 45 174.302 173.457 0.845 1
1 501 . 18 1 1 A 48 48 SER CA C 45 58.704 57.524 1.180 1
1 502 . 18 1 1 A 48 48 SER CB C 45 63.564 62.243 1.321 1
1 503 . 18 1 1 A 49 49 ASP H H 46 8.198 8.277 -0.079 1
1 504 . 18 1 1 A 49 49 ASP HA H 46 4.553 4.749 -0.196 1
1 507 . 18 1 1 A 49 49 ASP C C 46 176.211 176.061 0.150 1
1 508 . 18 1 1 A 49 49 ASP CA C 46 54.572 52.931 1.641 1
1 509 . 18 1 1 A 49 49 ASP CB C 46 40.971 41.970 -0.999 1
1 510 . 18 1 1 A 49 49 ASP N N 46 121.811 124.224 -2.413 1
1 511 . 18 1 1 A 50 50 MET H H 47 8.089 8.529 -0.440 1
1 512 . 18 1 1 A 50 50 MET HA H 47 4.374 4.596 -0.222 1
1 517 . 18 1 1 A 50 50 MET C C 47 176.100 175.921 0.179 1
1 518 . 18 1 1 A 50 50 MET CA C 47 55.595 55.016 0.579 1
1 519 . 18 1 1 A 50 50 MET CB C 47 32.625 34.133 -1.508 1
1 521 . 18 1 1 A 50 50 MET N N 47 120.102 118.459 1.643 1
1 522 . 18 1 1 A 51 51 LYS H H 48 8.198 8.376 -0.178 1
1 523 . 18 1 1 A 51 51 LYS HA H 48 4.343 4.152 0.191 1
1 532 . 18 1 1 A 51 51 LYS C C 48 176.273 176.720 -0.447 1
1 533 . 18 1 1 A 51 51 LYS CA C 48 56.158 56.536 -0.378 1
1 534 . 18 1 1 A 51 51 LYS CB C 48 33.042 32.623 0.419 1
1 538 . 18 1 1 A 51 51 LYS N N 48 121.811 117.248 4.563 1
1 539 . 18 1 1 A 52 52 GLN H H 49 8.372 8.351 0.021 1
1 540 . 18 1 1 A 52 52 GLN HA H 49 4.330 4.617 -0.287 1
1 545 . 18 1 1 A 52 52 GLN C C 49 175.303 174.412 0.891 1
1 546 . 18 1 1 A 52 52 GLN CA C 49 55.180 53.864 1.316 1
1 547 . 18 1 1 A 52 52 GLN CB C 49 30.017 29.302 0.715 1
1 549 . 18 1 1 A 52 52 GLN N N 49 120.928 120.808 0.120 1
1 550 . 18 1 1 A 53 53 GLN H H 50 8.366 8.880 -0.514 1
1 551 . 18 1 1 A 53 53 GLN HA H 50 4.455 5.128 -0.673 1
1 558 . 18 1 1 A 53 53 GLN C C 50 175.616 174.134 1.482 1
1 559 . 18 1 1 A 53 53 GLN CA C 50 55.825 53.950 1.875 1
1 560 . 18 1 1 A 53 53 GLN CB C 50 29.988 31.339 -1.351 1
1 562 . 18 1 1 A 53 53 GLN N N 50 122.169 115.849 6.320 1
1 564 . 18 1 1 A 54 54 VAL H H 51 8.577 8.535 0.042 1
1 565 . 18 1 1 A 54 54 VAL HA H 51 3.999 4.956 -0.957 1
1 570 . 18 1 1 A 54 54 VAL C C 51 174.678 174.820 -0.142 1
1 571 . 18 1 1 A 54 54 VAL CA C 51 62.792 59.515 3.277 1
1 572 . 18 1 1 A 54 54 VAL CB C 51 32.809 34.149 -1.340 1
1 574 . 18 1 1 A 54 54 VAL N N 51 124.540 119.066 5.474 1
1 575 . 18 1 1 A 55 55 LYS H H 52 8.025 8.956 -0.931 1
1 576 . 18 1 1 A 55 55 LYS HA H 52 5.098 5.460 -0.362 1
1 585 . 18 1 1 A 55 55 LYS C C 52 175.397 175.027 0.370 1
1 586 . 18 1 1 A 55 55 LYS CA C 52 55.259 54.319 0.940 1
1 587 . 18 1 1 A 55 55 LYS CB C 52 35.090 36.266 -1.176 1
1 591 . 18 1 1 A 55 55 LYS N N 52 123.649 119.774 3.875 1
1 592 . 18 1 1 A 56 56 LEU H H 53 8.965 9.018 -0.053 1
1 593 . 18 1 1 A 56 56 LEU HA H 53 4.527 5.115 -0.588 1
1 602 . 18 1 1 A 56 56 LEU C C 53 175.272 176.174 -0.902 1
1 603 . 18 1 1 A 56 56 LEU CA C 53 53.385 53.374 0.011 1
1 604 . 18 1 1 A 56 56 LEU CB C 53 45.496 45.298 0.198 1
1 607 . 18 1 1 A 56 56 LEU N N 53 125.718 124.366 1.352 1
1 608 . 18 1 1 A 57 57 THR H H 54 7.647 8.846 -1.199 1
1 609 . 18 1 1 A 57 57 THR HA H 54 5.197 5.495 -0.298 1
1 614 . 18 1 1 A 57 57 THR C C 54 173.426 173.342 0.084 1
1 615 . 18 1 1 A 57 57 THR CA C 54 60.016 60.025 -0.009 1
1 616 . 18 1 1 A 57 57 THR CB C 54 71.074 71.203 -0.129 1
1 618 . 18 1 1 A 57 57 THR N N 54 110.955 112.938 -1.983 1
1 619 . 18 1 1 A 58 58 PHE H H 55 9.240 9.094 0.146 1
1 620 . 18 1 1 A 58 58 PHE HA H 55 4.703 4.904 -0.201 1
1 626 . 18 1 1 A 58 58 PHE C C 55 175.225 176.132 -0.907 1
1 627 . 18 1 1 A 58 58 PHE CA C 55 56.721 56.385 0.336 1
1 628 . 18 1 1 A 58 58 PHE CB C 55 44.606 43.202 1.404 1
1 631 . 18 1 1 A 58 58 PHE N N 55 119.380 119.925 -0.545 1
1 632 . 18 1 1 A 59 59 GLU H H 56 8.828 8.871 -0.043 1
1 633 . 18 1 1 A 59 59 GLU HA H 56 4.390 4.324 0.066 1
1 638 . 18 1 1 A 59 59 GLU C C 56 176.868 176.759 0.109 1
1 639 . 18 1 1 A 59 59 GLU CA C 56 58.849 58.792 0.057 1
1 640 . 18 1 1 A 59 59 GLU CB C 56 30.977 30.783 0.194 1
1 642 . 18 1 1 A 59 59 GLU N N 56 119.209 121.194 -1.985 1
1 643 . 18 1 1 A 60 60 THR H H 57 7.090 7.629 -0.539 1
1 644 . 18 1 1 A 60 60 THR HA H 57 4.538 4.611 -0.073 1
1 649 . 18 1 1 A 60 60 THR C C 57 173.113 174.879 -1.766 1
1 650 . 18 1 1 A 60 60 THR CA C 57 58.619 59.454 -0.835 1
1 651 . 18 1 1 A 60 60 THR CB C 57 72.972 72.689 0.283 1
1 653 . 18 1 1 A 60 60 THR N N 57 102.317 110.766 -8.449 1
1 654 . 18 1 1 A 61 61 GLN H H 58 7.590 7.752 -0.162 1
1 655 . 18 1 1 A 61 61 GLN HA H 58 2.307 3.337 -1.030 1
1 662 . 18 1 1 A 61 61 GLN C C 58 177.713 177.245 0.468 1
1 663 . 18 1 1 A 61 61 GLN CA C 58 58.692 58.671 0.021 1
1 664 . 18 1 1 A 61 61 GLN CB C 58 27.689 27.574 0.115 1
1 666 . 18 1 1 A 61 61 GLN N N 58 122.133 120.904 1.229 1
1 668 . 18 1 1 A 62 62 GLU H H 59 8.587 8.134 0.453 1
1 669 . 18 1 1 A 62 62 GLU HA H 59 3.673 3.800 -0.127 1
1 674 . 18 1 1 A 62 62 GLU C C 59 179.337 179.248 0.089 1
1 675 . 18 1 1 A 62 62 GLU CA C 59 59.847 59.255 0.592 1
1 676 . 18 1 1 A 62 62 GLU CB C 59 28.578 29.266 -0.688 1
1 678 . 18 1 1 A 62 62 GLU N N 59 117.069 117.954 -0.885 1
1 679 . 18 1 1 A 63 63 GLN H H 60 7.671 7.797 -0.126 1
1 680 . 18 1 1 A 63 63 GLN HA H 60 3.812 3.874 -0.062 1
1 687 . 18 1 1 A 63 63 GLN C C 60 178.339 177.276 1.063 1
1 688 . 18 1 1 A 63 63 GLN CA C 60 58.411 58.459 -0.048 1
1 689 . 18 1 1 A 63 63 GLN CB C 60 29.308 28.226 1.082 1
1 691 . 18 1 1 A 63 63 GLN N N 60 118.959 118.599 0.360 1
1 693 . 18 1 1 A 64 64 ALA H H 61 6.836 7.391 -0.555 1
1 694 . 18 1 1 A 64 64 ALA HA H 61 1.982 3.211 -1.229 1
1 698 . 18 1 1 A 64 64 ALA C C 61 178.151 179.158 -1.007 1
1 699 . 18 1 1 A 64 64 ALA CA C 61 54.112 54.277 -0.165 1
1 700 . 18 1 1 A 64 64 ALA CB C 61 18.627 18.219 0.408 1
1 701 . 18 1 1 A 64 64 ALA N N 61 123.296 122.245 1.051 1
1 702 . 18 1 1 A 65 65 GLU H H 62 8.014 8.081 -0.067 1
1 703 . 18 1 1 A 65 65 GLU HA H 62 2.853 3.503 -0.650 1
1 708 . 18 1 1 A 65 65 GLU C C 62 177.901 178.343 -0.442 1
1 709 . 18 1 1 A 65 65 GLU CA C 62 60.601 58.935 1.666 1
1 710 . 18 1 1 A 65 65 GLU CB C 62 30.597 28.707 1.890 1
1 712 . 18 1 1 A 65 65 GLU N N 62 115.643 116.364 -0.721 1
1 713 . 18 1 1 A 66 66 ALA H H 63 7.954 7.709 0.245 1
1 714 . 18 1 1 A 66 66 ALA HA H 63 3.812 3.994 -0.182 1
1 718 . 18 1 1 A 66 66 ALA C C 63 180.245 179.261 0.984 1
1 719 . 18 1 1 A 66 66 ALA CA C 63 54.968 54.718 0.250 1
1 720 . 18 1 1 A 66 66 ALA CB C 63 17.876 17.966 -0.090 1
1 721 . 18 1 1 A 66 66 ALA N N 63 120.250 121.921 -1.671 1
1 722 . 18 1 1 A 67 67 TYR H H 64 7.373 7.663 -0.290 1
1 723 . 18 1 1 A 67 67 TYR HA H 64 3.789 4.061 -0.272 1
1 730 . 18 1 1 A 67 67 TYR C C 64 176.680 176.784 -0.104 1
1 731 . 18 1 1 A 67 67 TYR CA C 64 61.624 61.529 0.095 1
1 732 . 18 1 1 A 67 67 TYR CB C 64 38.947 38.372 0.575 1
1 735 . 18 1 1 A 67 67 TYR N N 64 119.523 119.808 -0.285 1
1 736 . 18 1 1 A 68 68 ALA H H 65 7.653 7.626 0.027 1
1 737 . 18 1 1 A 68 68 ALA HA H 65 3.608 3.675 -0.067 1
1 741 . 18 1 1 A 68 68 ALA C C 65 179.650 179.753 -0.103 1
1 742 . 18 1 1 A 68 68 ALA CA C 65 55.407 55.115 0.292 1
1 743 . 18 1 1 A 68 68 ALA CB C 65 18.001 17.849 0.152 1
1 744 . 18 1 1 A 68 68 ALA N N 65 120.416 121.290 -0.874 1
1 745 . 18 1 1 A 69 69 GLN H H 66 8.491 8.153 0.338 1
1 746 . 18 1 1 A 69 69 GLN HA H 66 4.150 3.932 0.218 1
1 753 . 18 1 1 A 69 69 GLN C C 66 180.119 178.159 1.960 1
1 754 . 18 1 1 A 69 69 GLN CA C 66 58.639 59.030 -0.391 1
1 755 . 18 1 1 A 69 69 GLN CB C 66 28.035 28.303 -0.268 1
1 757 . 18 1 1 A 69 69 GLN N N 66 115.832 117.288 -1.456 1
1 759 . 18 1 1 A 70 70 ARG H H 67 7.962 7.801 0.161 1
1 760 . 18 1 1 A 70 70 ARG HA H 67 3.991 4.057 -0.066 1
1 767 . 18 1 1 A 70 70 ARG C C 67 178.370 177.822 0.548 1
1 768 . 18 1 1 A 70 70 ARG CA C 67 58.849 58.910 -0.061 1
1 769 . 18 1 1 A 70 70 ARG CB C 67 29.735 29.684 0.051 1
1 772 . 18 1 1 A 70 70 ARG N N 67 120.213 120.111 0.102 1
1 773 . 18 1 1 A 71 71 LYS H H 68 7.506 7.212 0.294 1
1 774 . 18 1 1 A 71 71 LYS HA H 68 4.132 4.224 -0.092 1
1 783 . 18 1 1 A 71 71 LYS C C 68 176.712 177.138 -0.426 1
1 784 . 18 1 1 A 71 71 LYS CA C 68 54.781 55.769 -0.988 1
1 785 . 18 1 1 A 71 71 LYS CB C 68 32.447 32.926 -0.479 1
1 789 . 18 1 1 A 71 71 LYS N N 68 115.757 115.859 -0.102 1
1 790 . 18 1 1 A 72 72 GLY H H 69 7.680 7.741 -0.061 1
1 791 . 18 1 1 A 72 72 GLY HA2 H 69 3.887 3.932 -0.045 1
1 792 . 18 1 1 A 72 72 GLY HA3 H 69 3.818 3.940 -0.122 1
1 793 . 18 1 1 A 72 72 GLY C C 69 175.415 174.330 1.085 1
1 794 . 18 1 1 A 72 72 GLY CA C 69 46.621 45.234 1.387 1
1 795 . 18 1 1 A 72 72 GLY N N 69 109.542 106.642 2.900 1
1 796 . 18 1 1 A 73 73 ILE H H 70 8.180 7.360 0.820 1
1 797 . 18 1 1 A 73 73 ILE HA H 70 3.951 3.973 -0.022 1
1 805 . 18 1 1 A 73 73 ILE C C 70 175.835 175.885 -0.050 1
1 806 . 18 1 1 A 73 73 ILE CA C 70 60.560 61.288 -0.728 1
1 807 . 18 1 1 A 73 73 ILE CB C 70 40.035 37.964 2.071 1
1 810 . 18 1 1 A 73 73 ILE N N 70 121.234 123.123 -1.889 1
1 811 . 18 1 1 A 74 74 GLU H H 71 8.428 8.473 -0.045 1
1 812 . 18 1 1 A 74 74 GLU HA H 71 4.289 4.243 0.046 1
1 817 . 18 1 1 A 74 74 GLU C C 71 175.460 176.382 -0.922 1
1 818 . 18 1 1 A 74 74 GLU CA C 71 56.533 56.852 -0.319 1
1 819 . 18 1 1 A 74 74 GLU CB C 71 29.683 29.942 -0.259 1
1 821 . 18 1 1 A 74 74 GLU N N 71 129.096 127.756 1.340 1
1 822 . 18 1 1 A 75 75 TYR H H 72 8.004 8.590 -0.586 1
1 823 . 18 1 1 A 75 75 TYR HA H 72 5.805 5.852 -0.047 1
1 830 . 18 1 1 A 75 75 TYR C C 72 173.332 172.678 0.654 1
1 831 . 18 1 1 A 75 75 TYR CA C 72 55.323 55.832 -0.509 1
1 832 . 18 1 1 A 75 75 TYR CB C 72 42.290 42.363 -0.073 1
1 835 . 18 1 1 A 75 75 TYR N N 72 120.850 118.053 2.797 1
1 836 . 18 1 1 A 76 76 ARG H H 73 7.936 8.606 -0.670 1
1 837 . 18 1 1 A 76 76 ARG HA H 73 4.656 5.065 -0.409 1
1 844 . 18 1 1 A 76 76 ARG C C 73 174.302 175.018 -0.716 1
1 845 . 18 1 1 A 76 76 ARG CA C 73 53.883 54.383 -0.500 1
1 846 . 18 1 1 A 76 76 ARG CB C 73 32.856 33.935 -1.079 1
1 849 . 18 1 1 A 76 76 ARG N N 73 117.640 120.568 -2.928 1
1 850 . 18 1 1 A 77 77 VAL H H 74 8.859 8.933 -0.074 1
1 851 . 18 1 1 A 77 77 VAL HA H 74 4.885 5.204 -0.319 1
1 859 . 18 1 1 A 77 77 VAL C C 74 176.023 174.821 1.202 1
1 860 . 18 1 1 A 77 77 VAL CA C 74 61.540 60.496 1.044 1
1 861 . 18 1 1 A 77 77 VAL CB C 74 32.377 33.682 -1.305 1
1 864 . 18 1 1 A 77 77 VAL N N 74 124.091 120.990 3.101 1
1 865 . 18 1 1 A 78 78 ILE H H 75 9.282 9.456 -0.174 1
1 866 . 18 1 1 A 78 78 ILE HA H 75 4.297 4.918 -0.621 1
1 876 . 18 1 1 A 78 78 ILE C C 75 175.178 175.747 -0.569 1
1 877 . 18 1 1 A 78 78 ILE CA C 75 59.850 59.819 0.031 1
1 878 . 18 1 1 A 78 78 ILE CB C 75 37.546 39.435 -1.889 1
1 882 . 18 1 1 A 78 78 ILE N N 75 130.317 126.138 4.179 1
1 883 . 18 1 1 A 79 79 LEU H H 76 8.428 8.958 -0.530 1
1 884 . 18 1 1 A 79 79 LEU HA H 76 4.747 4.803 -0.056 1
1 894 . 18 1 1 A 79 79 LEU CA C 76 52.672 53.339 -0.667 1
1 895 . 18 1 1 A 79 79 LEU CB C 76 41.865 41.684 0.181 1
1 899 . 18 1 1 A 79 79 LEU N N 76 128.194 129.287 -1.093 1
1 900 . 18 1 1 A 80 80 PRO HA H 77 4.402 4.579 -0.177 1
1 907 . 18 1 1 A 80 80 PRO C C 77 177.087 177.250 -0.163 1
1 908 . 18 1 1 A 80 80 PRO CA C 77 63.104 62.133 0.971 1
1 909 . 18 1 1 A 80 80 PRO CB C 77 32.145 32.994 -0.849 1
1 912 . 18 1 1 A 81 81 LYS H H 78 8.373 8.715 -0.342 1
1 913 . 18 1 1 A 81 81 LYS HA H 78 4.205 3.982 0.223 1
1 922 . 18 1 1 A 81 81 LYS C C 78 174.200 178.537 -4.337 1
1 923 . 18 1 1 A 81 81 LYS CA C 78 57.050 58.800 -1.750 1
1 924 . 18 1 1 A 81 81 LYS CB C 78 32.750 31.871 0.879 1
1 928 . 18 1 1 A 81 81 LYS N N 78 121.644 121.619 0.025 1
1 929 . 18 1 1 A 82 82 GLU H H 79 8.452 7.983 0.469 1
1 930 . 18 1 1 A 82 82 GLU HA H 79 4.216 4.113 0.103 1
1 935 . 18 1 1 A 82 82 GLU C C 79 176.336 176.846 -0.510 1
1 936 . 18 1 1 A 82 82 GLU CA C 79 56.533 59.399 -2.866 1
1 937 . 18 1 1 A 82 82 GLU CB C 79 29.996 29.590 0.406 1
1 939 . 18 1 1 A 82 82 GLU N N 79 121.461 117.847 3.614 1
1 10 . 19 1 1 A 5 5 SER H H 2 8.403 8.968 -0.565 1
1 11 . 19 1 1 A 5 5 SER HA H 2 5.099 5.409 -0.310 1
1 14 . 19 1 1 A 5 5 SER C C 2 173.833 172.227 1.606 1
1 15 . 19 1 1 A 5 5 SER CA C 2 57.556 56.942 0.614 1
1 16 . 19 1 1 A 5 5 SER CB C 2 65.337 65.806 -0.469 1
1 17 . 19 1 1 A 5 5 SER N N 2 116.747 117.598 -0.851 1
1 18 . 19 1 1 A 6 6 ALA H H 3 8.552 8.615 -0.063 1
1 19 . 19 1 1 A 6 6 ALA HA H 3 5.040 5.153 -0.113 1
1 23 . 19 1 1 A 6 6 ALA C C 3 176.117 176.034 0.083 1
1 24 . 19 1 1 A 6 6 ALA CA C 3 51.500 51.638 -0.138 1
1 25 . 19 1 1 A 6 6 ALA CB C 3 23.991 23.522 0.469 1
1 26 . 19 1 1 A 6 6 ALA N N 3 123.072 124.797 -1.725 1
1 27 . 19 1 1 A 7 7 LYS H H 4 8.706 8.923 -0.217 1
1 28 . 19 1 1 A 7 7 LYS HA H 4 5.428 5.234 0.194 1
1 37 . 19 1 1 A 7 7 LYS C C 4 174.490 175.343 -0.853 1
1 38 . 19 1 1 A 7 7 LYS CA C 4 54.280 55.048 -0.768 1
1 39 . 19 1 1 A 7 7 LYS CB C 4 36.399 35.316 1.083 1
1 43 . 19 1 1 A 7 7 LYS N N 4 117.868 116.795 1.073 1
1 44 . 19 1 1 A 8 8 ILE H H 5 8.752 9.148 -0.396 1
1 45 . 19 1 1 A 8 8 ILE HA H 5 5.741 5.235 0.506 1
1 55 . 19 1 1 A 8 8 ILE C C 5 174.552 174.985 -0.433 1
1 56 . 19 1 1 A 8 8 ILE CA C 5 59.953 60.685 -0.732 1
1 57 . 19 1 1 A 8 8 ILE CB C 5 41.115 39.510 1.605 1
1 61 . 19 1 1 A 8 8 ILE N N 5 122.521 126.023 -3.502 1
1 62 . 19 1 1 A 9 9 TYR H H 6 8.980 8.643 0.337 1
1 63 . 19 1 1 A 9 9 TYR HA H 6 5.214 5.764 -0.550 1
1 68 . 19 1 1 A 9 9 TYR C C 6 171.856 172.563 -0.707 1
1 69 . 19 1 1 A 9 9 TYR CA C 6 56.053 56.039 0.014 1
1 70 . 19 1 1 A 9 9 TYR CB C 6 40.371 41.033 -0.662 1
1 72 . 19 1 1 A 9 9 TYR N N 6 122.495 123.814 -1.319 1
1 73 . 19 1 1 A 10 10 ARG H H 7 8.830 8.670 0.160 1
1 74 . 19 1 1 A 10 10 ARG HA H 7 4.498 4.676 -0.178 1
1 81 . 19 1 1 A 10 10 ARG CA C 7 51.891 52.928 -1.037 1
1 82 . 19 1 1 A 10 10 ARG CB C 7 30.299 31.949 -1.650 1
1 85 . 19 1 1 A 10 10 ARG N N 7 122.632 120.706 1.926 1
1 86 . 19 1 1 A 11 11 PRO HA H 8 4.369 4.725 -0.356 1
1 93 . 19 1 1 A 11 11 PRO C C 8 176.086 177.750 -1.664 1
1 94 . 19 1 1 A 11 11 PRO CA C 8 62.730 62.775 -0.045 1
1 95 . 19 1 1 A 11 11 PRO CB C 8 32.364 31.859 0.505 1
1 98 . 19 1 1 A 12 12 ALA H H 9 8.384 8.670 -0.286 1
1 99 . 19 1 1 A 12 12 ALA HA H 9 4.193 4.368 -0.175 1
1 103 . 19 1 1 A 12 12 ALA C C 9 177.948 179.867 -1.919 1
1 104 . 19 1 1 A 12 12 ALA CA C 9 52.406 55.261 -2.855 1
1 105 . 19 1 1 A 12 12 ALA CB C 9 19.441 18.191 1.250 1
1 106 . 19 1 1 A 12 12 ALA N N 9 124.348 128.003 -3.655 1
1 107 . 19 1 1 A 13 13 LYS H H 10 8.242 7.815 0.427 1
1 108 . 19 1 1 A 13 13 LYS HA H 10 4.289 4.099 0.190 1
1 117 . 19 1 1 A 13 13 LYS C C 10 176.555 177.249 -0.694 1
1 118 . 19 1 1 A 13 13 LYS CA C 10 56.345 58.902 -2.557 1
1 119 . 19 1 1 A 13 13 LYS CB C 10 33.052 32.562 0.490 1
1 123 . 19 1 1 A 13 13 LYS N N 10 120.348 115.131 5.217 1
1 124 . 19 1 1 A 14 14 THR H H 11 7.950 8.019 -0.069 1
1 125 . 19 1 1 A 14 14 THR HA H 11 4.320 3.908 0.412 1
1 130 . 19 1 1 A 14 14 THR C C 11 174.302 174.184 0.118 1
1 131 . 19 1 1 A 14 14 THR CA C 11 61.603 65.576 -3.973 1
1 132 . 19 1 1 A 14 14 THR CB C 11 69.699 67.269 2.430 1
1 134 . 19 1 1 A 14 14 THR N N 11 112.991 109.442 3.549 1
1 135 . 19 1 1 A 15 15 ALA H H 12 8.189 7.940 0.249 1
1 136 . 19 1 1 A 15 15 ALA HA H 12 4.250 4.184 0.066 1
1 140 . 19 1 1 A 15 15 ALA C C 12 177.838 176.921 0.917 1
1 141 . 19 1 1 A 15 15 ALA CA C 12 52.840 53.200 -0.360 1
1 142 . 19 1 1 A 15 15 ALA CB C 12 19.231 19.264 -0.033 1
1 143 . 19 1 1 A 15 15 ALA N N 12 125.979 122.992 2.987 1
1 144 . 19 1 1 A 16 16 MET H H 13 8.110 8.870 -0.760 1
1 145 . 19 1 1 A 16 16 MET HA H 13 4.374 4.779 -0.405 1
1 150 . 19 1 1 A 16 16 MET C C 13 176.148 176.744 -0.596 1
1 151 . 19 1 1 A 16 16 MET CA C 13 55.595 56.910 -1.315 1
1 152 . 19 1 1 A 16 16 MET CB C 13 32.625 34.793 -2.168 1
1 154 . 19 1 1 A 16 16 MET N N 13 118.186 121.929 -3.743 1
1 155 . 19 1 1 A 17 17 GLN H H 14 8.198 7.637 0.561 1
1 156 . 19 1 1 A 17 17 GLN HA H 14 4.273 4.505 -0.232 1
1 161 . 19 1 1 A 17 17 GLN C C 14 175.992 175.167 0.825 1
1 162 . 19 1 1 A 17 17 GLN CA C 14 56.032 55.874 0.158 1
1 163 . 19 1 1 A 17 17 GLN CB C 14 29.371 29.308 0.063 1
1 165 . 19 1 1 A 17 17 GLN N N 14 121.811 117.939 3.872 1
1 166 . 19 1 1 A 18 18 SER H H 15 8.275 8.743 -0.468 1
1 167 . 19 1 1 A 18 18 SER HA H 15 4.379 4.679 -0.300 1
1 170 . 19 1 1 A 18 18 SER C C 15 175.053 174.965 0.088 1
1 171 . 19 1 1 A 18 18 SER CA C 15 58.536 58.915 -0.379 1
1 172 . 19 1 1 A 18 18 SER CB C 15 63.856 65.593 -1.737 1
1 173 . 19 1 1 A 18 18 SER N N 15 116.768 122.477 -5.709 1
1 174 . 19 1 1 A 19 19 GLY H H 16 8.430 8.157 0.273 1
1 175 . 19 1 1 A 19 19 GLY HA2 H 16 4.031 3.956 0.075 1
1 176 . 19 1 1 A 19 19 GLY HA3 H 16 3.906 3.957 -0.051 1
1 177 . 19 1 1 A 19 19 GLY C C 16 174.490 174.357 0.133 1
1 178 . 19 1 1 A 19 19 GLY CA C 16 45.580 46.780 -1.200 1
1 179 . 19 1 1 A 19 19 GLY N N 16 111.050 109.742 1.308 1
1 180 . 19 1 1 A 20 20 THR H H 17 7.950 7.703 0.247 1
1 181 . 19 1 1 A 20 20 THR HA H 17 4.289 4.703 -0.414 1
1 185 . 19 1 1 A 20 20 THR C C 17 174.427 174.176 0.251 1
1 186 . 19 1 1 A 20 20 THR CA C 17 61.477 60.455 1.022 1
1 188 . 19 1 1 A 20 20 THR N N 17 112.991 111.342 1.649 1
1 189 . 19 1 1 A 21 21 ALA H H 18 8.247 8.606 -0.359 1
1 190 . 19 1 1 A 21 21 ALA N N 18 125.213 124.542 0.671 1
1 191 . 19 1 1 A 22 22 LYS HA H 19 4.265 4.354 -0.089 1
1 200 . 19 1 1 A 22 22 LYS C C 19 176.774 176.677 0.097 1
1 201 . 19 1 1 A 22 22 LYS CA C 19 56.596 55.103 1.493 1
1 202 . 19 1 1 A 22 22 LYS CB C 19 33.126 30.506 2.620 1
1 206 . 19 1 1 A 23 23 THR H H 20 8.004 8.296 -0.292 1
1 207 . 19 1 1 A 23 23 THR HA H 20 4.333 4.176 0.157 1
1 212 . 19 1 1 A 23 23 THR C C 20 174.083 174.229 -0.146 1
1 213 . 19 1 1 A 23 23 THR CA C 20 61.682 64.377 -2.695 1
1 214 . 19 1 1 A 23 23 THR CB C 20 69.908 69.872 0.036 1
1 216 . 19 1 1 A 23 23 THR N N 20 113.978 119.557 -5.579 1
1 217 . 19 1 1 A 24 24 ASN H H 21 8.289 8.004 0.285 1
1 218 . 19 1 1 A 24 24 ASN HA H 21 4.689 4.435 0.254 1
1 223 . 19 1 1 A 24 24 ASN C C 21 174.177 173.831 0.346 1
1 224 . 19 1 1 A 24 24 ASN CA C 21 52.966 53.514 -0.548 1
1 225 . 19 1 1 A 24 24 ASN CB C 21 38.404 37.112 1.292 1
1 226 . 19 1 1 A 24 24 ASN N N 21 118.085 118.015 0.070 1
1 228 . 19 1 1 A 25 25 VAL H H 22 7.381 7.982 -0.601 1
1 229 . 19 1 1 A 25 25 VAL HA H 22 4.336 4.908 -0.572 1
1 237 . 19 1 1 A 25 25 VAL C C 22 174.271 174.680 -0.409 1
1 238 . 19 1 1 A 25 25 VAL CA C 22 61.540 59.636 1.904 1
1 239 . 19 1 1 A 25 25 VAL CB C 22 33.771 34.511 -0.740 1
1 242 . 19 1 1 A 25 25 VAL N N 22 115.156 120.070 -4.914 1
1 243 . 19 1 1 A 26 26 TRP H H 23 8.581 8.978 -0.397 1
1 244 . 19 1 1 A 26 26 TRP HA H 23 4.430 4.848 -0.418 1
1 253 . 19 1 1 A 26 26 TRP C C 23 174.803 176.350 -1.547 1
1 254 . 19 1 1 A 26 26 TRP CA C 23 56.721 57.117 -0.396 1
1 255 . 19 1 1 A 26 26 TRP CB C 23 30.651 30.288 0.363 1
1 261 . 19 1 1 A 26 26 TRP N N 23 120.570 128.366 -7.796 1
1 263 . 19 1 1 A 27 27 VAL H H 24 9.122 8.836 0.286 1
1 264 . 19 1 1 A 27 27 VAL HA H 24 4.774 4.809 -0.035 1
1 272 . 19 1 1 A 27 27 VAL C C 24 173.739 174.064 -0.325 1
1 273 . 19 1 1 A 27 27 VAL CA C 24 60.101 61.457 -1.356 1
1 274 . 19 1 1 A 27 27 VAL CB C 24 34.726 33.334 1.392 1
1 277 . 19 1 1 A 27 27 VAL N N 24 121.265 123.615 -2.350 1
1 278 . 19 1 1 A 28 28 LEU H H 25 8.713 9.074 -0.361 1
1 279 . 19 1 1 A 28 28 LEU HA H 25 5.126 5.178 -0.052 1
1 288 . 19 1 1 A 28 28 LEU C C 25 174.177 174.547 -0.370 1
1 289 . 19 1 1 A 28 28 LEU CA C 25 53.863 53.507 0.356 1
1 290 . 19 1 1 A 28 28 LEU CB C 25 46.227 44.766 1.461 1
1 293 . 19 1 1 A 28 28 LEU N N 25 125.972 129.843 -3.871 1
1 294 . 19 1 1 A 29 29 GLU H H 26 9.283 9.240 0.043 1
1 295 . 19 1 1 A 29 29 GLU HA H 26 5.353 5.335 0.018 1
1 300 . 19 1 1 A 29 29 GLU C C 26 175.867 175.816 0.051 1
1 301 . 19 1 1 A 29 29 GLU CA C 26 53.883 54.923 -1.040 1
1 302 . 19 1 1 A 29 29 GLU CB C 26 34.594 31.931 2.663 1
1 304 . 19 1 1 A 29 29 GLU N N 26 127.083 128.374 -1.291 1
1 305 . 19 1 1 A 30 30 PHE H H 27 8.761 8.926 -0.165 1
1 306 . 19 1 1 A 30 30 PHE HA H 27 4.797 5.385 -0.588 1
1 313 . 19 1 1 A 30 30 PHE C C 27 174.959 173.663 1.296 1
1 314 . 19 1 1 A 30 30 PHE CA C 27 58.160 55.444 2.716 1
1 315 . 19 1 1 A 30 30 PHE CB C 27 40.218 42.140 -1.922 1
1 318 . 19 1 1 A 30 30 PHE N N 27 125.378 121.494 3.884 1
1 319 . 19 1 1 A 31 31 ASP H H 28 8.705 8.668 0.037 1
1 320 . 19 1 1 A 31 31 ASP HA H 28 4.735 4.633 0.102 1
1 323 . 19 1 1 A 31 31 ASP C C 28 175.898 175.822 0.076 1
1 324 . 19 1 1 A 31 31 ASP CA C 28 54.468 54.365 0.103 1
1 325 . 19 1 1 A 31 31 ASP CB C 28 41.529 39.428 2.101 1
1 326 . 19 1 1 A 31 31 ASP N N 28 121.546 121.059 0.487 1
1 327 . 19 1 1 A 32 32 ALA H H 29 8.527 8.361 0.166 1
1 328 . 19 1 1 A 32 32 ALA HA H 29 4.400 4.499 -0.099 1
1 332 . 19 1 1 A 32 32 ALA C C 29 177.150 178.839 -1.689 1
1 333 . 19 1 1 A 32 32 ALA CA C 29 52.027 52.387 -0.360 1
1 334 . 19 1 1 A 32 32 ALA CB C 29 20.212 19.069 1.143 1
1 335 . 19 1 1 A 32 32 ALA N N 29 124.632 127.588 -2.956 1
1 336 . 19 1 1 A 33 33 GLU H H 30 8.481 8.830 -0.349 1
1 337 . 19 1 1 A 33 33 GLU HA H 30 4.281 4.130 0.151 1
1 342 . 19 1 1 A 33 33 GLU C C 30 176.336 176.681 -0.345 1
1 343 . 19 1 1 A 33 33 GLU CA C 30 56.309 58.231 -1.922 1
1 344 . 19 1 1 A 33 33 GLU CB C 30 30.309 28.986 1.323 1
1 346 . 19 1 1 A 33 33 GLU N N 30 120.547 122.141 -1.594 1
1 347 . 19 1 1 A 34 34 VAL H H 31 8.140 7.369 0.771 1
1 348 . 19 1 1 A 34 34 VAL HA H 31 4.332 3.995 0.337 1
1 353 . 19 1 1 A 34 34 VAL CA C 31 60.006 61.122 -1.116 1
1 354 . 19 1 1 A 34 34 VAL CB C 31 32.620 32.348 0.272 1
1 356 . 19 1 1 A 34 34 VAL N N 31 122.541 122.241 0.300 1
1 357 . 19 1 1 A 35 35 PRO HA H 32 4.343 4.720 -0.377 1
1 364 . 19 1 1 A 35 35 PRO C C 32 176.649 176.945 -0.296 1
1 365 . 19 1 1 A 35 35 PRO CA C 32 63.167 62.182 0.985 1
1 366 . 19 1 1 A 35 35 PRO CB C 32 31.999 33.129 -1.130 1
1 369 . 19 1 1 A 36 36 ARG H H 33 8.282 8.722 -0.440 1
1 370 . 19 1 1 A 36 36 ARG HA H 33 4.268 3.839 0.429 1
1 377 . 19 1 1 A 36 36 ARG C C 33 176.148 176.569 -0.421 1
1 378 . 19 1 1 A 36 36 ARG CA C 33 55.845 58.681 -2.836 1
1 379 . 19 1 1 A 36 36 ARG CB C 33 31.061 29.588 1.473 1
1 382 . 19 1 1 A 36 36 ARG N N 33 121.352 119.153 2.199 1
1 383 . 19 1 1 A 37 37 LYS H H 34 8.256 7.738 0.518 1
1 384 . 19 1 1 A 37 37 LYS HA H 34 4.265 4.601 -0.336 1
1 391 . 19 1 1 A 37 37 LYS C C 34 176.054 175.377 0.677 1
1 392 . 19 1 1 A 37 37 LYS CA C 34 56.220 55.773 0.447 1
1 393 . 19 1 1 A 37 37 LYS CB C 34 33.103 31.195 1.908 1
1 396 . 19 1 1 A 37 37 LYS N N 34 122.458 119.210 3.248 1
1 397 . 19 1 1 A 38 38 ILE H H 35 8.066 8.240 -0.174 1
1 398 . 19 1 1 A 38 38 ILE HA H 35 4.053 4.919 -0.866 1
1 408 . 19 1 1 A 38 38 ILE C C 35 175.397 174.573 0.824 1
1 409 . 19 1 1 A 38 38 ILE CA C 35 60.560 58.623 1.937 1
1 410 . 19 1 1 A 38 38 ILE CB C 35 38.883 40.510 -1.627 1
1 414 . 19 1 1 A 38 38 ILE N N 35 121.996 118.226 3.770 1
1 415 . 19 1 1 A 39 39 ASP H H 36 8.270 8.736 -0.466 1
1 416 . 19 1 1 A 39 39 ASP HA H 36 4.824 4.696 0.128 1
1 419 . 19 1 1 A 39 39 ASP CA C 36 52.138 52.798 -0.660 1
1 420 . 19 1 1 A 39 39 ASP CB C 36 42.009 40.620 1.389 1
1 421 . 19 1 1 A 39 39 ASP N N 36 126.273 122.550 3.723 1
1 422 . 19 1 1 A 40 40 PRO HA H 37 4.295 4.192 0.103 1
1 429 . 19 1 1 A 40 40 PRO C C 37 177.275 178.440 -1.165 1
1 430 . 19 1 1 A 40 40 PRO CA C 37 63.731 64.256 -0.525 1
1 431 . 19 1 1 A 40 40 PRO CB C 37 32.135 31.885 0.250 1
1 434 . 19 1 1 A 41 41 ILE H H 38 8.115 8.372 -0.257 1
1 435 . 19 1 1 A 41 41 ILE HA H 38 4.030 3.934 0.096 1
1 445 . 19 1 1 A 41 41 ILE C C 38 176.993 176.393 0.600 1
1 446 . 19 1 1 A 41 41 ILE CA C 38 61.790 63.738 -1.948 1
1 447 . 19 1 1 A 41 41 ILE CB C 38 38.132 38.493 -0.361 1
1 451 . 19 1 1 A 41 41 ILE N N 38 119.202 117.563 1.639 1
1 452 . 19 1 1 A 42 42 MET H H 39 8.189 7.793 0.396 1
1 453 . 19 1 1 A 42 42 MET HA H 39 4.351 4.829 -0.478 1
1 458 . 19 1 1 A 42 42 MET C C 39 176.962 176.474 0.488 1
1 459 . 19 1 1 A 42 42 MET CA C 39 55.532 54.215 1.317 1
1 460 . 19 1 1 A 42 42 MET CB C 39 32.249 34.749 -2.500 1
1 462 . 19 1 1 A 42 42 MET N N 39 120.640 118.403 2.237 1
1 463 . 19 1 1 A 43 43 GLY H H 40 8.105 8.858 -0.753 1
1 464 . 19 1 1 A 43 43 GLY HA2 H 40 3.931 3.862 0.069 1
1 465 . 19 1 1 A 43 43 GLY HA3 H 40 3.740 3.948 -0.208 1
1 466 . 19 1 1 A 43 43 GLY C C 40 173.707 175.037 -1.330 1
1 467 . 19 1 1 A 43 43 GLY CA C 40 45.455 45.510 -0.055 1
1 468 . 19 1 1 A 43 43 GLY N N 40 108.720 110.704 -1.984 1
1 469 . 19 1 1 A 44 44 TYR H H 41 7.984 7.997 -0.013 1
1 470 . 19 1 1 A 44 44 TYR HA H 41 4.609 4.582 0.027 1
1 477 . 19 1 1 A 44 44 TYR C C 41 175.929 175.573 0.356 1
1 478 . 19 1 1 A 44 44 TYR CA C 41 57.847 58.783 -0.936 1
1 479 . 19 1 1 A 44 44 TYR CB C 41 39.008 38.323 0.685 1
1 482 . 19 1 1 A 44 44 TYR N N 41 120.435 118.891 1.544 1
1 483 . 19 1 1 A 45 45 THR H H 42 8.112 7.621 0.491 1
1 484 . 19 1 1 A 45 45 THR HA H 42 4.281 4.268 0.013 1
1 486 . 19 1 1 A 45 45 THR C C 42 177.024 175.267 1.757 1
1 487 . 19 1 1 A 45 45 THR CA C 42 61.540 61.313 0.227 1
1 488 . 19 1 1 A 45 45 THR CB C 42 70.145 70.659 -0.514 1
1 489 . 19 1 1 A 45 45 THR N N 42 116.187 112.756 3.431 1
1 490 . 19 1 1 A 46 46 SER H H 43 8.447 8.863 -0.416 1
1 491 . 19 1 1 A 46 46 SER N N 43 121.723 117.910 3.813 1
1 492 . 19 1 1 A 47 47 SER HA H 44 4.224 4.573 -0.349 1
1 495 . 19 1 1 A 47 47 SER CA C 44 59.935 57.254 2.681 1
1 496 . 19 1 1 A 47 47 SER CB C 44 64.763 62.897 1.866 1
1 497 . 19 1 1 A 48 48 SER HA H 45 4.365 5.313 -0.948 1
1 500 . 19 1 1 A 48 48 SER C C 45 174.302 172.820 1.482 1
1 501 . 19 1 1 A 48 48 SER CA C 45 58.704 56.291 2.413 1
1 502 . 19 1 1 A 48 48 SER CB C 45 63.564 64.447 -0.883 1
1 503 . 19 1 1 A 49 49 ASP H H 46 8.198 8.593 -0.395 1
1 504 . 19 1 1 A 49 49 ASP HA H 46 4.553 4.952 -0.399 1
1 507 . 19 1 1 A 49 49 ASP C C 46 176.211 176.493 -0.282 1
1 508 . 19 1 1 A 49 49 ASP CA C 46 54.572 53.820 0.752 1
1 509 . 19 1 1 A 49 49 ASP CB C 46 40.971 42.356 -1.385 1
1 510 . 19 1 1 A 49 49 ASP N N 46 121.811 126.476 -4.665 1
1 511 . 19 1 1 A 50 50 MET H H 47 8.089 8.638 -0.549 1
1 512 . 19 1 1 A 50 50 MET HA H 47 4.374 4.416 -0.042 1
1 517 . 19 1 1 A 50 50 MET C C 47 176.100 175.448 0.652 1
1 518 . 19 1 1 A 50 50 MET CA C 47 55.595 55.331 0.264 1
1 519 . 19 1 1 A 50 50 MET CB C 47 32.625 33.516 -0.891 1
1 521 . 19 1 1 A 50 50 MET N N 47 120.102 123.900 -3.798 1
1 522 . 19 1 1 A 51 51 LYS H H 48 8.198 8.461 -0.263 1
1 523 . 19 1 1 A 51 51 LYS HA H 48 4.343 4.116 0.227 1
1 532 . 19 1 1 A 51 51 LYS C C 48 176.273 176.390 -0.117 1
1 533 . 19 1 1 A 51 51 LYS CA C 48 56.158 56.476 -0.318 1
1 534 . 19 1 1 A 51 51 LYS CB C 48 33.042 32.908 0.134 1
1 538 . 19 1 1 A 51 51 LYS N N 48 121.811 120.595 1.216 1
1 539 . 19 1 1 A 52 52 GLN H H 49 8.372 8.828 -0.456 1
1 540 . 19 1 1 A 52 52 GLN HA H 49 4.330 4.902 -0.572 1
1 545 . 19 1 1 A 52 52 GLN C C 49 175.303 173.953 1.350 1
1 546 . 19 1 1 A 52 52 GLN CA C 49 55.180 54.093 1.087 1
1 547 . 19 1 1 A 52 52 GLN CB C 49 30.017 31.954 -1.937 1
1 549 . 19 1 1 A 52 52 GLN N N 49 120.928 118.530 2.398 1
1 550 . 19 1 1 A 53 53 GLN H H 50 8.366 8.314 0.052 1
1 551 . 19 1 1 A 53 53 GLN HA H 50 4.455 4.984 -0.529 1
1 558 . 19 1 1 A 53 53 GLN C C 50 175.616 175.768 -0.152 1
1 559 . 19 1 1 A 53 53 GLN CA C 50 55.825 55.560 0.265 1
1 560 . 19 1 1 A 53 53 GLN CB C 50 29.988 29.290 0.698 1
1 562 . 19 1 1 A 53 53 GLN N N 50 122.169 119.120 3.049 1
1 564 . 19 1 1 A 54 54 VAL H H 51 8.577 8.093 0.484 1
1 565 . 19 1 1 A 54 54 VAL HA H 51 3.999 4.876 -0.877 1
1 570 . 19 1 1 A 54 54 VAL C C 51 174.678 174.645 0.033 1
1 571 . 19 1 1 A 54 54 VAL CA C 51 62.792 59.693 3.099 1
1 572 . 19 1 1 A 54 54 VAL CB C 51 32.809 33.832 -1.023 1
1 574 . 19 1 1 A 54 54 VAL N N 51 124.540 118.822 5.718 1
1 575 . 19 1 1 A 55 55 LYS H H 52 8.025 8.996 -0.971 1
1 576 . 19 1 1 A 55 55 LYS HA H 52 5.098 5.569 -0.471 1
1 585 . 19 1 1 A 55 55 LYS C C 52 175.397 174.560 0.837 1
1 586 . 19 1 1 A 55 55 LYS CA C 52 55.259 54.564 0.695 1
1 587 . 19 1 1 A 55 55 LYS CB C 52 35.090 36.210 -1.120 1
1 591 . 19 1 1 A 55 55 LYS N N 52 123.649 120.180 3.469 1
1 592 . 19 1 1 A 56 56 LEU H H 53 8.965 8.951 0.014 1
1 593 . 19 1 1 A 56 56 LEU HA H 53 4.527 5.037 -0.510 1
1 602 . 19 1 1 A 56 56 LEU C C 53 175.272 176.063 -0.791 1
1 603 . 19 1 1 A 56 56 LEU CA C 53 53.385 53.347 0.038 1
1 604 . 19 1 1 A 56 56 LEU CB C 53 45.496 45.276 0.220 1
1 607 . 19 1 1 A 56 56 LEU N N 53 125.718 123.402 2.316 1
1 608 . 19 1 1 A 57 57 THR H H 54 7.647 8.777 -1.130 1
1 609 . 19 1 1 A 57 57 THR HA H 54 5.197 5.659 -0.462 1
1 614 . 19 1 1 A 57 57 THR C C 54 173.426 173.360 0.066 1
1 615 . 19 1 1 A 57 57 THR CA C 54 60.016 60.086 -0.070 1
1 616 . 19 1 1 A 57 57 THR CB C 54 71.074 70.912 0.162 1
1 618 . 19 1 1 A 57 57 THR N N 54 110.955 112.805 -1.850 1
1 619 . 19 1 1 A 58 58 PHE H H 55 9.240 9.118 0.122 1
1 620 . 19 1 1 A 58 58 PHE HA H 55 4.703 4.900 -0.197 1
1 626 . 19 1 1 A 58 58 PHE C C 55 175.225 176.026 -0.801 1
1 627 . 19 1 1 A 58 58 PHE CA C 55 56.721 56.354 0.367 1
1 628 . 19 1 1 A 58 58 PHE CB C 55 44.606 43.215 1.391 1
1 631 . 19 1 1 A 58 58 PHE N N 55 119.380 119.969 -0.589 1
1 632 . 19 1 1 A 59 59 GLU H H 56 8.828 8.654 0.174 1
1 633 . 19 1 1 A 59 59 GLU HA H 56 4.390 4.378 0.012 1
1 638 . 19 1 1 A 59 59 GLU C C 56 176.868 176.667 0.201 1
1 639 . 19 1 1 A 59 59 GLU CA C 56 58.849 58.631 0.218 1
1 640 . 19 1 1 A 59 59 GLU CB C 56 30.977 30.913 0.064 1
1 642 . 19 1 1 A 59 59 GLU N N 56 119.209 120.919 -1.710 1
1 643 . 19 1 1 A 60 60 THR H H 57 7.090 7.489 -0.399 1
1 644 . 19 1 1 A 60 60 THR HA H 57 4.538 4.132 0.406 1
1 649 . 19 1 1 A 60 60 THR C C 57 173.113 174.786 -1.673 1
1 650 . 19 1 1 A 60 60 THR CA C 57 58.619 59.301 -0.682 1
1 651 . 19 1 1 A 60 60 THR CB C 57 72.972 72.633 0.339 1
1 653 . 19 1 1 A 60 60 THR N N 57 102.317 110.073 -7.756 1
1 654 . 19 1 1 A 61 61 GLN H H 58 7.590 7.512 0.078 1
1 655 . 19 1 1 A 61 61 GLN HA H 58 2.307 3.322 -1.015 1
1 662 . 19 1 1 A 61 61 GLN C C 58 177.713 177.153 0.560 1
1 663 . 19 1 1 A 61 61 GLN CA C 58 58.692 58.593 0.099 1
1 664 . 19 1 1 A 61 61 GLN CB C 58 27.689 27.827 -0.138 1
1 666 . 19 1 1 A 61 61 GLN N N 58 122.133 120.703 1.430 1
1 668 . 19 1 1 A 62 62 GLU H H 59 8.587 7.978 0.609 1
1 669 . 19 1 1 A 62 62 GLU HA H 59 3.673 3.837 -0.164 1
1 674 . 19 1 1 A 62 62 GLU C C 59 179.337 179.408 -0.071 1
1 675 . 19 1 1 A 62 62 GLU CA C 59 59.847 59.178 0.669 1
1 676 . 19 1 1 A 62 62 GLU CB C 59 28.578 29.054 -0.476 1
1 678 . 19 1 1 A 62 62 GLU N N 59 117.069 118.157 -1.088 1
1 679 . 19 1 1 A 63 63 GLN H H 60 7.671 7.420 0.251 1
1 680 . 19 1 1 A 63 63 GLN HA H 60 3.812 3.894 -0.082 1
1 687 . 19 1 1 A 63 63 GLN C C 60 178.339 177.995 0.344 1
1 688 . 19 1 1 A 63 63 GLN CA C 60 58.411 58.501 -0.090 1
1 689 . 19 1 1 A 63 63 GLN CB C 60 29.308 28.367 0.941 1
1 691 . 19 1 1 A 63 63 GLN N N 60 118.959 119.078 -0.119 1
1 693 . 19 1 1 A 64 64 ALA H H 61 6.836 7.348 -0.512 1
1 694 . 19 1 1 A 64 64 ALA HA H 61 1.982 2.590 -0.608 1
1 698 . 19 1 1 A 64 64 ALA C C 61 178.151 179.266 -1.115 1
1 699 . 19 1 1 A 64 64 ALA CA C 61 54.112 54.241 -0.129 1
1 700 . 19 1 1 A 64 64 ALA CB C 61 18.627 17.839 0.788 1
1 701 . 19 1 1 A 64 64 ALA N N 61 123.296 122.129 1.167 1
1 702 . 19 1 1 A 65 65 GLU H H 62 8.014 7.937 0.077 1
1 703 . 19 1 1 A 65 65 GLU HA H 62 2.853 3.363 -0.510 1
1 708 . 19 1 1 A 65 65 GLU C C 62 177.901 178.509 -0.608 1
1 709 . 19 1 1 A 65 65 GLU CA C 62 60.601 58.855 1.746 1
1 710 . 19 1 1 A 65 65 GLU CB C 62 30.597 28.737 1.860 1
1 712 . 19 1 1 A 65 65 GLU N N 62 115.643 116.299 -0.656 1
1 713 . 19 1 1 A 66 66 ALA H H 63 7.954 7.661 0.293 1
1 714 . 19 1 1 A 66 66 ALA HA H 63 3.812 4.033 -0.221 1
1 718 . 19 1 1 A 66 66 ALA C C 63 180.245 179.255 0.990 1
1 719 . 19 1 1 A 66 66 ALA CA C 63 54.968 54.754 0.214 1
1 720 . 19 1 1 A 66 66 ALA CB C 63 17.876 17.991 -0.115 1
1 721 . 19 1 1 A 66 66 ALA N N 63 120.250 121.961 -1.711 1
1 722 . 19 1 1 A 67 67 TYR H H 64 7.373 7.286 0.087 1
1 723 . 19 1 1 A 67 67 TYR HA H 64 3.789 4.062 -0.273 1
1 730 . 19 1 1 A 67 67 TYR C C 64 176.680 176.671 0.009 1
1 731 . 19 1 1 A 67 67 TYR CA C 64 61.624 61.721 -0.097 1
1 732 . 19 1 1 A 67 67 TYR CB C 64 38.947 38.456 0.491 1
1 735 . 19 1 1 A 67 67 TYR N N 64 119.523 119.887 -0.364 1
1 736 . 19 1 1 A 68 68 ALA H H 65 7.653 7.794 -0.141 1
1 737 . 19 1 1 A 68 68 ALA HA H 65 3.608 3.857 -0.249 1
1 741 . 19 1 1 A 68 68 ALA C C 65 179.650 179.903 -0.253 1
1 742 . 19 1 1 A 68 68 ALA CA C 65 55.407 55.248 0.159 1
1 743 . 19 1 1 A 68 68 ALA CB C 65 18.001 17.836 0.165 1
1 744 . 19 1 1 A 68 68 ALA N N 65 120.416 121.510 -1.094 1
1 745 . 19 1 1 A 69 69 GLN H H 66 8.491 8.290 0.201 1
1 746 . 19 1 1 A 69 69 GLN HA H 66 4.150 3.988 0.162 1
1 753 . 19 1 1 A 69 69 GLN C C 66 180.119 178.334 1.785 1
1 754 . 19 1 1 A 69 69 GLN CA C 66 58.639 59.037 -0.398 1
1 755 . 19 1 1 A 69 69 GLN CB C 66 28.035 28.540 -0.505 1
1 757 . 19 1 1 A 69 69 GLN N N 66 115.832 117.225 -1.393 1
1 759 . 19 1 1 A 70 70 ARG H H 67 7.962 7.745 0.217 1
1 760 . 19 1 1 A 70 70 ARG HA H 67 3.991 4.062 -0.071 1
1 767 . 19 1 1 A 70 70 ARG C C 67 178.370 177.728 0.642 1
1 768 . 19 1 1 A 70 70 ARG CA C 67 58.849 58.763 0.086 1
1 769 . 19 1 1 A 70 70 ARG CB C 67 29.735 29.621 0.114 1
1 772 . 19 1 1 A 70 70 ARG N N 67 120.213 120.245 -0.032 1
1 773 . 19 1 1 A 71 71 LYS H H 68 7.506 7.232 0.274 1
1 774 . 19 1 1 A 71 71 LYS HA H 68 4.132 4.205 -0.073 1
1 783 . 19 1 1 A 71 71 LYS C C 68 176.712 177.179 -0.467 1
1 784 . 19 1 1 A 71 71 LYS CA C 68 54.781 55.801 -1.020 1
1 785 . 19 1 1 A 71 71 LYS CB C 68 32.447 32.987 -0.540 1
1 789 . 19 1 1 A 71 71 LYS N N 68 115.757 115.947 -0.190 1
1 790 . 19 1 1 A 72 72 GLY H H 69 7.680 7.751 -0.071 1
1 791 . 19 1 1 A 72 72 GLY HA2 H 69 3.887 3.943 -0.056 1
1 792 . 19 1 1 A 72 72 GLY HA3 H 69 3.818 3.951 -0.133 1
1 793 . 19 1 1 A 72 72 GLY C C 69 175.415 174.315 1.100 1
1 794 . 19 1 1 A 72 72 GLY CA C 69 46.621 45.359 1.262 1
1 795 . 19 1 1 A 72 72 GLY N N 69 109.542 106.908 2.634 1
1 796 . 19 1 1 A 73 73 ILE H H 70 8.180 7.460 0.720 1
1 797 . 19 1 1 A 73 73 ILE HA H 70 3.951 4.088 -0.137 1
1 805 . 19 1 1 A 73 73 ILE C C 70 175.835 175.886 -0.051 1
1 806 . 19 1 1 A 73 73 ILE CA C 70 60.560 61.133 -0.573 1
1 807 . 19 1 1 A 73 73 ILE CB C 70 40.035 37.885 2.150 1
1 810 . 19 1 1 A 73 73 ILE N N 70 121.234 122.902 -1.668 1
1 811 . 19 1 1 A 74 74 GLU H H 71 8.428 8.096 0.332 1
1 812 . 19 1 1 A 74 74 GLU HA H 71 4.289 4.270 0.019 1
1 817 . 19 1 1 A 74 74 GLU C C 71 175.460 176.367 -0.907 1
1 818 . 19 1 1 A 74 74 GLU CA C 71 56.533 56.813 -0.280 1
1 819 . 19 1 1 A 74 74 GLU CB C 71 29.683 29.865 -0.182 1
1 821 . 19 1 1 A 74 74 GLU N N 71 129.096 128.332 0.764 1
1 822 . 19 1 1 A 75 75 TYR H H 72 8.004 8.552 -0.548 1
1 823 . 19 1 1 A 75 75 TYR HA H 72 5.805 5.763 0.042 1
1 830 . 19 1 1 A 75 75 TYR C C 72 173.332 172.855 0.477 1
1 831 . 19 1 1 A 75 75 TYR CA C 72 55.323 55.552 -0.229 1
1 832 . 19 1 1 A 75 75 TYR CB C 72 42.290 42.172 0.118 1
1 835 . 19 1 1 A 75 75 TYR N N 72 120.850 118.028 2.822 1
1 836 . 19 1 1 A 76 76 ARG H H 73 7.936 8.719 -0.783 1
1 837 . 19 1 1 A 76 76 ARG HA H 73 4.656 4.845 -0.189 1
1 844 . 19 1 1 A 76 76 ARG C C 73 174.302 175.346 -1.044 1
1 845 . 19 1 1 A 76 76 ARG CA C 73 53.883 55.304 -1.421 1
1 846 . 19 1 1 A 76 76 ARG CB C 73 32.856 31.751 1.105 1
1 849 . 19 1 1 A 76 76 ARG N N 73 117.640 120.659 -3.019 1
1 850 . 19 1 1 A 77 77 VAL H H 74 8.859 8.753 0.106 1
1 851 . 19 1 1 A 77 77 VAL HA H 74 4.885 4.470 0.415 1
1 859 . 19 1 1 A 77 77 VAL C C 74 176.023 175.586 0.437 1
1 860 . 19 1 1 A 77 77 VAL CA C 74 61.540 62.968 -1.428 1
1 861 . 19 1 1 A 77 77 VAL CB C 74 32.377 31.654 0.723 1
1 864 . 19 1 1 A 77 77 VAL N N 74 124.091 125.238 -1.147 1
1 865 . 19 1 1 A 78 78 ILE H H 75 9.282 9.219 0.063 1
1 866 . 19 1 1 A 78 78 ILE HA H 75 4.297 4.721 -0.424 1
1 876 . 19 1 1 A 78 78 ILE C C 75 175.178 175.384 -0.206 1
1 877 . 19 1 1 A 78 78 ILE CA C 75 59.850 60.659 -0.809 1
1 878 . 19 1 1 A 78 78 ILE CB C 75 37.546 39.382 -1.836 1
1 882 . 19 1 1 A 78 78 ILE N N 75 130.317 128.805 1.512 1
1 883 . 19 1 1 A 79 79 LEU H H 76 8.428 8.877 -0.449 1
1 884 . 19 1 1 A 79 79 LEU HA H 76 4.747 4.685 0.062 1
1 894 . 19 1 1 A 79 79 LEU CA C 76 52.672 53.843 -1.171 1
1 895 . 19 1 1 A 79 79 LEU CB C 76 41.865 41.411 0.454 1
1 899 . 19 1 1 A 79 79 LEU N N 76 128.194 129.230 -1.036 1
1 900 . 19 1 1 A 80 80 PRO HA H 77 4.402 4.523 -0.121 1
1 907 . 19 1 1 A 80 80 PRO C C 77 177.087 177.266 -0.179 1
1 908 . 19 1 1 A 80 80 PRO CA C 77 63.104 62.210 0.894 1
1 909 . 19 1 1 A 80 80 PRO CB C 77 32.145 32.851 -0.706 1
1 912 . 19 1 1 A 81 81 LYS H H 78 8.373 8.591 -0.218 1
1 913 . 19 1 1 A 81 81 LYS HA H 78 4.205 4.004 0.201 1
1 922 . 19 1 1 A 81 81 LYS C C 78 174.200 176.900 -2.700 1
1 923 . 19 1 1 A 81 81 LYS CA C 78 57.050 58.716 -1.666 1
1 924 . 19 1 1 A 81 81 LYS CB C 78 32.750 31.823 0.927 1
1 928 . 19 1 1 A 81 81 LYS N N 78 121.644 121.731 -0.087 1
1 929 . 19 1 1 A 82 82 GLU H H 79 8.452 8.337 0.115 1
1 930 . 19 1 1 A 82 82 GLU HA H 79 4.216 4.329 -0.113 1
1 935 . 19 1 1 A 82 82 GLU C C 79 176.336 177.810 -1.474 1
1 936 . 19 1 1 A 82 82 GLU CA C 79 56.533 56.960 -0.427 1
1 937 . 19 1 1 A 82 82 GLU CB C 79 29.996 29.685 0.311 1
1 939 . 19 1 1 A 82 82 GLU N N 79 121.461 118.306 3.155 1
1 10 . 20 1 1 A 5 5 SER H H 2 8.403 9.127 -0.724 1
1 11 . 20 1 1 A 5 5 SER HA H 2 5.099 5.476 -0.377 1
1 14 . 20 1 1 A 5 5 SER C C 2 173.833 173.529 0.304 1
1 15 . 20 1 1 A 5 5 SER CA C 2 57.556 57.804 -0.248 1
1 16 . 20 1 1 A 5 5 SER CB C 2 65.337 65.045 0.292 1
1 17 . 20 1 1 A 5 5 SER N N 2 116.747 120.946 -4.199 1
1 18 . 20 1 1 A 6 6 ALA H H 3 8.552 9.313 -0.761 1
1 19 . 20 1 1 A 6 6 ALA HA H 3 5.040 5.434 -0.394 1
1 23 . 20 1 1 A 6 6 ALA C C 3 176.117 176.985 -0.868 1
1 24 . 20 1 1 A 6 6 ALA CA C 3 51.500 50.449 1.051 1
1 25 . 20 1 1 A 6 6 ALA CB C 3 23.991 20.497 3.494 1
1 26 . 20 1 1 A 6 6 ALA N N 3 123.072 130.102 -7.030 1
1 27 . 20 1 1 A 7 7 LYS H H 4 8.706 9.437 -0.731 1
1 28 . 20 1 1 A 7 7 LYS HA H 4 5.428 5.425 0.003 1
1 37 . 20 1 1 A 7 7 LYS C C 4 174.490 175.511 -1.021 1
1 38 . 20 1 1 A 7 7 LYS CA C 4 54.280 55.268 -0.988 1
1 39 . 20 1 1 A 7 7 LYS CB C 4 36.399 34.897 1.502 1
1 43 . 20 1 1 A 7 7 LYS N N 4 117.868 120.968 -3.100 1
1 44 . 20 1 1 A 8 8 ILE H H 5 8.752 8.772 -0.020 1
1 45 . 20 1 1 A 8 8 ILE HA H 5 5.741 5.172 0.569 1
1 55 . 20 1 1 A 8 8 ILE C C 5 174.552 175.183 -0.631 1
1 56 . 20 1 1 A 8 8 ILE CA C 5 59.953 60.670 -0.717 1
1 57 . 20 1 1 A 8 8 ILE CB C 5 41.115 39.257 1.858 1
1 61 . 20 1 1 A 8 8 ILE N N 5 122.521 126.348 -3.827 1
1 62 . 20 1 1 A 9 9 TYR H H 6 8.980 8.804 0.176 1
1 63 . 20 1 1 A 9 9 TYR HA H 6 5.214 5.732 -0.518 1
1 68 . 20 1 1 A 9 9 TYR C C 6 171.856 172.684 -0.828 1
1 69 . 20 1 1 A 9 9 TYR CA C 6 56.053 55.982 0.071 1
1 70 . 20 1 1 A 9 9 TYR CB C 6 40.371 41.769 -1.398 1
1 72 . 20 1 1 A 9 9 TYR N N 6 122.495 124.510 -2.015 1
1 73 . 20 1 1 A 10 10 ARG H H 7 8.830 8.704 0.126 1
1 74 . 20 1 1 A 10 10 ARG HA H 7 4.498 4.702 -0.204 1
1 81 . 20 1 1 A 10 10 ARG CA C 7 51.891 52.882 -0.991 1
1 82 . 20 1 1 A 10 10 ARG CB C 7 30.299 31.759 -1.460 1
1 85 . 20 1 1 A 10 10 ARG N N 7 122.632 120.582 2.050 1
1 86 . 20 1 1 A 11 11 PRO HA H 8 4.369 4.766 -0.397 1
1 93 . 20 1 1 A 11 11 PRO C C 8 176.086 177.201 -1.115 1
1 94 . 20 1 1 A 11 11 PRO CA C 8 62.730 62.734 -0.004 1
1 95 . 20 1 1 A 11 11 PRO CB C 8 32.364 33.349 -0.985 1
1 98 . 20 1 1 A 12 12 ALA H H 9 8.384 8.561 -0.177 1
1 99 . 20 1 1 A 12 12 ALA HA H 9 4.193 4.097 0.096 1
1 103 . 20 1 1 A 12 12 ALA C C 9 177.948 178.159 -0.211 1
1 104 . 20 1 1 A 12 12 ALA CA C 9 52.406 54.788 -2.382 1
1 105 . 20 1 1 A 12 12 ALA CB C 9 19.441 19.323 0.118 1
1 106 . 20 1 1 A 12 12 ALA N N 9 124.348 122.015 2.333 1
1 107 . 20 1 1 A 13 13 LYS H H 10 8.242 7.576 0.666 1
1 108 . 20 1 1 A 13 13 LYS HA H 10 4.289 4.555 -0.266 1
1 117 . 20 1 1 A 13 13 LYS C C 10 176.555 176.042 0.513 1
1 118 . 20 1 1 A 13 13 LYS CA C 10 56.345 55.851 0.494 1
1 119 . 20 1 1 A 13 13 LYS CB C 10 33.052 33.239 -0.187 1
1 123 . 20 1 1 A 13 13 LYS N N 10 120.348 115.787 4.561 1
1 124 . 20 1 1 A 14 14 THR H H 11 7.950 8.807 -0.857 1
1 125 . 20 1 1 A 14 14 THR HA H 11 4.320 4.850 -0.530 1
1 130 . 20 1 1 A 14 14 THR C C 11 174.302 173.565 0.737 1
1 131 . 20 1 1 A 14 14 THR CA C 11 61.603 60.744 0.859 1
1 132 . 20 1 1 A 14 14 THR CB C 11 69.699 71.146 -1.447 1
1 134 . 20 1 1 A 14 14 THR N N 11 112.991 112.558 0.433 1
1 135 . 20 1 1 A 15 15 ALA H H 12 8.189 8.473 -0.284 1
1 136 . 20 1 1 A 15 15 ALA HA H 12 4.250 4.408 -0.158 1
1 140 . 20 1 1 A 15 15 ALA C C 12 177.838 177.442 0.396 1
1 141 . 20 1 1 A 15 15 ALA CA C 12 52.840 51.722 1.118 1
1 142 . 20 1 1 A 15 15 ALA CB C 12 19.231 20.351 -1.120 1
1 143 . 20 1 1 A 15 15 ALA N N 12 125.979 123.960 2.019 1
1 144 . 20 1 1 A 16 16 MET H H 13 8.110 8.588 -0.478 1
1 145 . 20 1 1 A 16 16 MET HA H 13 4.374 4.653 -0.279 1
1 150 . 20 1 1 A 16 16 MET C C 13 176.148 176.313 -0.165 1
1 151 . 20 1 1 A 16 16 MET CA C 13 55.595 54.627 0.968 1
1 152 . 20 1 1 A 16 16 MET CB C 13 32.625 34.101 -1.476 1
1 154 . 20 1 1 A 16 16 MET N N 13 118.186 117.786 0.400 1
1 155 . 20 1 1 A 17 17 GLN H H 14 8.198 8.517 -0.319 1
1 156 . 20 1 1 A 17 17 GLN HA H 14 4.273 4.509 -0.236 1
1 161 . 20 1 1 A 17 17 GLN C C 14 175.992 175.707 0.285 1
1 162 . 20 1 1 A 17 17 GLN CA C 14 56.032 56.120 -0.088 1
1 163 . 20 1 1 A 17 17 GLN CB C 14 29.371 29.006 0.365 1
1 165 . 20 1 1 A 17 17 GLN N N 14 121.811 120.744 1.067 1
1 166 . 20 1 1 A 18 18 SER H H 15 8.275 8.106 0.169 1
1 167 . 20 1 1 A 18 18 SER HA H 15 4.379 4.692 -0.313 1
1 170 . 20 1 1 A 18 18 SER C C 15 175.053 175.032 0.021 1
1 171 . 20 1 1 A 18 18 SER CA C 15 58.536 57.060 1.476 1
1 172 . 20 1 1 A 18 18 SER CB C 15 63.856 65.412 -1.556 1
1 173 . 20 1 1 A 18 18 SER N N 15 116.768 117.955 -1.187 1
1 174 . 20 1 1 A 19 19 GLY H H 16 8.430 9.222 -0.792 1
1 175 . 20 1 1 A 19 19 GLY HA2 H 16 4.031 3.822 0.209 1
1 176 . 20 1 1 A 19 19 GLY HA3 H 16 3.906 3.823 0.083 1
1 177 . 20 1 1 A 19 19 GLY C C 16 174.490 175.623 -1.133 1
1 178 . 20 1 1 A 19 19 GLY CA C 16 45.580 46.721 -1.141 1
1 179 . 20 1 1 A 19 19 GLY N N 16 111.050 108.809 2.241 1
1 180 . 20 1 1 A 20 20 THR H H 17 7.950 7.770 0.180 1
1 181 . 20 1 1 A 20 20 THR HA H 17 4.289 4.220 0.069 1
1 185 . 20 1 1 A 20 20 THR C C 17 174.427 173.937 0.490 1
1 186 . 20 1 1 A 20 20 THR CA C 17 61.477 64.278 -2.801 1
1 188 . 20 1 1 A 20 20 THR N N 17 112.991 116.076 -3.085 1
1 189 . 20 1 1 A 21 21 ALA H H 18 8.247 7.261 0.986 1
1 190 . 20 1 1 A 21 21 ALA N N 18 125.213 120.755 4.458 1
1 191 . 20 1 1 A 22 22 LYS HA H 19 4.265 4.413 -0.148 1
1 200 . 20 1 1 A 22 22 LYS C C 19 176.774 176.191 0.583 1
1 201 . 20 1 1 A 22 22 LYS CA C 19 56.596 55.319 1.277 1
1 202 . 20 1 1 A 22 22 LYS CB C 19 33.126 30.508 2.618 1
1 206 . 20 1 1 A 23 23 THR H H 20 8.004 8.078 -0.074 1
1 207 . 20 1 1 A 23 23 THR HA H 20 4.333 3.837 0.496 1
1 212 . 20 1 1 A 23 23 THR C C 20 174.083 172.947 1.136 1
1 213 . 20 1 1 A 23 23 THR CA C 20 61.682 65.952 -4.270 1
1 214 . 20 1 1 A 23 23 THR CB C 20 69.908 67.293 2.615 1
1 216 . 20 1 1 A 23 23 THR N N 20 113.978 107.331 6.647 1
1 217 . 20 1 1 A 24 24 ASN H H 21 8.289 8.064 0.225 1
1 218 . 20 1 1 A 24 24 ASN HA H 21 4.689 5.166 -0.477 1
1 223 . 20 1 1 A 24 24 ASN C C 21 174.177 173.682 0.495 1
1 224 . 20 1 1 A 24 24 ASN CA C 21 52.966 52.762 0.204 1
1 225 . 20 1 1 A 24 24 ASN CB C 21 38.404 41.032 -2.628 1
1 226 . 20 1 1 A 24 24 ASN N N 21 118.085 117.900 0.185 1
1 228 . 20 1 1 A 25 25 VAL H H 22 7.381 8.847 -1.466 1
1 229 . 20 1 1 A 25 25 VAL HA H 22 4.336 5.045 -0.709 1
1 237 . 20 1 1 A 25 25 VAL C C 22 174.271 174.929 -0.658 1
1 238 . 20 1 1 A 25 25 VAL CA C 22 61.540 59.057 2.483 1
1 239 . 20 1 1 A 25 25 VAL CB C 22 33.771 35.871 -2.100 1
1 242 . 20 1 1 A 25 25 VAL N N 22 115.156 120.158 -5.002 1
1 243 . 20 1 1 A 26 26 TRP H H 23 8.581 8.937 -0.356 1
1 244 . 20 1 1 A 26 26 TRP HA H 23 4.430 5.172 -0.742 1
1 253 . 20 1 1 A 26 26 TRP C C 23 174.803 175.651 -0.848 1
1 254 . 20 1 1 A 26 26 TRP CA C 23 56.721 56.669 0.052 1
1 255 . 20 1 1 A 26 26 TRP CB C 23 30.651 30.653 -0.002 1
1 261 . 20 1 1 A 26 26 TRP N N 23 120.570 121.985 -1.415 1
1 263 . 20 1 1 A 27 27 VAL H H 24 9.122 8.773 0.349 1
1 264 . 20 1 1 A 27 27 VAL HA H 24 4.774 4.670 0.104 1
1 272 . 20 1 1 A 27 27 VAL C C 24 173.739 173.870 -0.131 1
1 273 . 20 1 1 A 27 27 VAL CA C 24 60.101 61.409 -1.308 1
1 274 . 20 1 1 A 27 27 VAL CB C 24 34.726 33.207 1.519 1
1 277 . 20 1 1 A 27 27 VAL N N 24 121.265 123.352 -2.087 1
1 278 . 20 1 1 A 28 28 LEU H H 25 8.713 9.077 -0.364 1
1 279 . 20 1 1 A 28 28 LEU HA H 25 5.126 5.447 -0.321 1
1 288 . 20 1 1 A 28 28 LEU C C 25 174.177 174.644 -0.467 1
1 289 . 20 1 1 A 28 28 LEU CA C 25 53.863 53.498 0.365 1
1 290 . 20 1 1 A 28 28 LEU CB C 25 46.227 44.771 1.456 1
1 293 . 20 1 1 A 28 28 LEU N N 25 125.972 129.848 -3.876 1
1 294 . 20 1 1 A 29 29 GLU H H 26 9.283 9.262 0.021 1
1 295 . 20 1 1 A 29 29 GLU HA H 26 5.353 5.518 -0.165 1
1 300 . 20 1 1 A 29 29 GLU C C 26 175.867 175.477 0.390 1
1 301 . 20 1 1 A 29 29 GLU CA C 26 53.883 54.877 -0.994 1
1 302 . 20 1 1 A 29 29 GLU CB C 26 34.594 33.255 1.339 1
1 304 . 20 1 1 A 29 29 GLU N N 26 127.083 128.447 -1.364 1
1 305 . 20 1 1 A 30 30 PHE H H 27 8.761 9.028 -0.267 1
1 306 . 20 1 1 A 30 30 PHE HA H 27 4.797 5.382 -0.585 1
1 313 . 20 1 1 A 30 30 PHE C C 27 174.959 172.295 2.664 1
1 314 . 20 1 1 A 30 30 PHE CA C 27 58.160 55.600 2.560 1
1 315 . 20 1 1 A 30 30 PHE CB C 27 40.218 41.943 -1.725 1
1 318 . 20 1 1 A 30 30 PHE N N 27 125.378 121.492 3.886 1
1 319 . 20 1 1 A 31 31 ASP H H 28 8.705 8.208 0.497 1
1 320 . 20 1 1 A 31 31 ASP HA H 28 4.735 4.531 0.204 1
1 323 . 20 1 1 A 31 31 ASP C C 28 175.898 175.802 0.096 1
1 324 . 20 1 1 A 31 31 ASP CA C 28 54.468 54.455 0.013 1
1 325 . 20 1 1 A 31 31 ASP CB C 28 41.529 41.583 -0.054 1
1 326 . 20 1 1 A 31 31 ASP N N 28 121.546 120.530 1.016 1
1 327 . 20 1 1 A 32 32 ALA H H 29 8.527 8.279 0.248 1
1 328 . 20 1 1 A 32 32 ALA HA H 29 4.400 3.547 0.853 1
1 332 . 20 1 1 A 32 32 ALA C C 29 177.150 179.149 -1.999 1
1 333 . 20 1 1 A 32 32 ALA CA C 29 52.027 52.407 -0.380 1
1 334 . 20 1 1 A 32 32 ALA CB C 29 20.212 18.892 1.320 1
1 335 . 20 1 1 A 32 32 ALA N N 29 124.632 127.993 -3.361 1
1 336 . 20 1 1 A 33 33 GLU H H 30 8.481 8.931 -0.450 1
1 337 . 20 1 1 A 33 33 GLU HA H 30 4.281 4.363 -0.082 1
1 342 . 20 1 1 A 33 33 GLU C C 30 176.336 175.903 0.433 1
1 343 . 20 1 1 A 33 33 GLU CA C 30 56.309 57.351 -1.042 1
1 344 . 20 1 1 A 33 33 GLU CB C 30 30.309 29.013 1.296 1
1 346 . 20 1 1 A 33 33 GLU N N 30 120.547 119.491 1.056 1
1 347 . 20 1 1 A 34 34 VAL H H 31 8.140 7.458 0.682 1
1 348 . 20 1 1 A 34 34 VAL HA H 31 4.332 4.615 -0.283 1
1 353 . 20 1 1 A 34 34 VAL CA C 31 60.006 58.259 1.747 1
1 354 . 20 1 1 A 34 34 VAL CB C 31 32.620 35.008 -2.388 1
1 356 . 20 1 1 A 34 34 VAL N N 31 122.541 119.103 3.438 1
1 357 . 20 1 1 A 35 35 PRO HA H 32 4.343 4.666 -0.323 1
1 364 . 20 1 1 A 35 35 PRO C C 32 176.649 177.353 -0.704 1
1 365 . 20 1 1 A 35 35 PRO CA C 32 63.167 62.322 0.845 1
1 366 . 20 1 1 A 35 35 PRO CB C 32 31.999 33.140 -1.141 1
1 369 . 20 1 1 A 36 36 ARG H H 33 8.282 8.193 0.089 1
1 370 . 20 1 1 A 36 36 ARG HA H 33 4.268 3.970 0.298 1
1 377 . 20 1 1 A 36 36 ARG C C 33 176.148 175.896 0.252 1
1 378 . 20 1 1 A 36 36 ARG CA C 33 55.845 58.715 -2.870 1
1 379 . 20 1 1 A 36 36 ARG CB C 33 31.061 29.614 1.447 1
1 382 . 20 1 1 A 36 36 ARG N N 33 121.352 120.282 1.070 1
1 383 . 20 1 1 A 37 37 LYS H H 34 8.256 7.675 0.581 1
1 384 . 20 1 1 A 37 37 LYS HA H 34 4.265 4.287 -0.022 1
1 391 . 20 1 1 A 37 37 LYS C C 34 176.054 176.063 -0.009 1
1 392 . 20 1 1 A 37 37 LYS CA C 34 56.220 55.819 0.401 1
1 393 . 20 1 1 A 37 37 LYS CB C 34 33.103 31.979 1.124 1
1 396 . 20 1 1 A 37 37 LYS N N 34 122.458 120.239 2.219 1
1 397 . 20 1 1 A 38 38 ILE H H 35 8.066 8.198 -0.132 1
1 398 . 20 1 1 A 38 38 ILE HA H 35 4.053 4.291 -0.238 1
1 408 . 20 1 1 A 38 38 ILE C C 35 175.397 175.188 0.209 1
1 409 . 20 1 1 A 38 38 ILE CA C 35 60.560 61.319 -0.759 1
1 410 . 20 1 1 A 38 38 ILE CB C 35 38.883 38.352 0.531 1
1 414 . 20 1 1 A 38 38 ILE N N 35 121.996 122.909 -0.913 1
1 415 . 20 1 1 A 39 39 ASP H H 36 8.270 8.163 0.107 1
1 416 . 20 1 1 A 39 39 ASP HA H 36 4.824 4.789 0.035 1
1 419 . 20 1 1 A 39 39 ASP CA C 36 52.138 52.754 -0.616 1
1 420 . 20 1 1 A 39 39 ASP CB C 36 42.009 40.006 2.003 1
1 421 . 20 1 1 A 39 39 ASP N N 36 126.273 123.812 2.461 1
1 422 . 20 1 1 A 40 40 PRO HA H 37 4.295 4.134 0.161 1
1 429 . 20 1 1 A 40 40 PRO C C 37 177.275 177.395 -0.120 1
1 430 . 20 1 1 A 40 40 PRO CA C 37 63.731 63.704 0.027 1
1 431 . 20 1 1 A 40 40 PRO CB C 37 32.135 31.204 0.931 1
1 434 . 20 1 1 A 41 41 ILE H H 38 8.115 7.844 0.271 1
1 435 . 20 1 1 A 41 41 ILE HA H 38 4.030 3.777 0.253 1
1 445 . 20 1 1 A 41 41 ILE C C 38 176.993 177.092 -0.099 1
1 446 . 20 1 1 A 41 41 ILE CA C 38 61.790 64.080 -2.290 1
1 447 . 20 1 1 A 41 41 ILE CB C 38 38.132 37.649 0.483 1
1 451 . 20 1 1 A 41 41 ILE N N 38 119.202 118.138 1.064 1
1 452 . 20 1 1 A 42 42 MET H H 39 8.189 7.381 0.808 1
1 453 . 20 1 1 A 42 42 MET HA H 39 4.351 4.578 -0.227 1
1 458 . 20 1 1 A 42 42 MET C C 39 176.962 176.011 0.951 1
1 459 . 20 1 1 A 42 42 MET CA C 39 55.532 55.137 0.395 1
1 460 . 20 1 1 A 42 42 MET CB C 39 32.249 30.923 1.326 1
1 462 . 20 1 1 A 42 42 MET N N 39 120.640 118.124 2.516 1
1 463 . 20 1 1 A 43 43 GLY H H 40 8.105 8.265 -0.160 1
1 464 . 20 1 1 A 43 43 GLY HA2 H 40 3.931 3.994 -0.063 1
1 465 . 20 1 1 A 43 43 GLY HA3 H 40 3.740 4.049 -0.309 1
1 466 . 20 1 1 A 43 43 GLY C C 40 173.707 174.631 -0.924 1
1 467 . 20 1 1 A 43 43 GLY CA C 40 45.455 46.416 -0.961 1
1 468 . 20 1 1 A 43 43 GLY N N 40 108.720 107.719 1.001 1
1 469 . 20 1 1 A 44 44 TYR H H 41 7.984 8.047 -0.063 1
1 470 . 20 1 1 A 44 44 TYR HA H 41 4.609 4.131 0.478 1
1 477 . 20 1 1 A 44 44 TYR C C 41 175.929 174.097 1.832 1
1 478 . 20 1 1 A 44 44 TYR CA C 41 57.847 61.449 -3.602 1
1 479 . 20 1 1 A 44 44 TYR CB C 41 39.008 36.891 2.117 1
1 482 . 20 1 1 A 44 44 TYR N N 41 120.435 114.614 5.821 1
1 483 . 20 1 1 A 45 45 THR H H 42 8.112 7.990 0.122 1
1 484 . 20 1 1 A 45 45 THR HA H 42 4.281 4.586 -0.305 1
1 486 . 20 1 1 A 45 45 THR C C 42 177.024 174.198 2.826 1
1 487 . 20 1 1 A 45 45 THR CA C 42 61.540 60.647 0.893 1
1 488 . 20 1 1 A 45 45 THR CB C 42 70.145 71.344 -1.199 1
1 489 . 20 1 1 A 45 45 THR N N 42 116.187 112.498 3.689 1
1 490 . 20 1 1 A 46 46 SER H H 43 8.447 8.528 -0.081 1
1 491 . 20 1 1 A 46 46 SER N N 43 121.723 124.591 -2.868 1
1 492 . 20 1 1 A 47 47 SER HA H 44 4.224 4.732 -0.508 1
1 495 . 20 1 1 A 47 47 SER CA C 44 59.935 57.311 2.624 1
1 496 . 20 1 1 A 47 47 SER CB C 44 64.763 63.717 1.046 1
1 497 . 20 1 1 A 48 48 SER HA H 45 4.365 4.259 0.106 1
1 500 . 20 1 1 A 48 48 SER C C 45 174.302 173.065 1.237 1
1 501 . 20 1 1 A 48 48 SER CA C 45 58.704 58.961 -0.257 1
1 502 . 20 1 1 A 48 48 SER CB C 45 63.564 61.166 2.398 1
1 503 . 20 1 1 A 49 49 ASP H H 46 8.198 7.859 0.339 1
1 504 . 20 1 1 A 49 49 ASP HA H 46 4.553 4.885 -0.332 1
1 507 . 20 1 1 A 49 49 ASP C C 46 176.211 175.983 0.228 1
1 508 . 20 1 1 A 49 49 ASP CA C 46 54.572 52.498 2.074 1
1 509 . 20 1 1 A 49 49 ASP CB C 46 40.971 38.995 1.976 1
1 510 . 20 1 1 A 49 49 ASP N N 46 121.811 120.678 1.133 1
1 511 . 20 1 1 A 50 50 MET H H 47 8.089 8.343 -0.254 1
1 512 . 20 1 1 A 50 50 MET HA H 47 4.374 4.242 0.132 1
1 517 . 20 1 1 A 50 50 MET C C 47 176.100 175.806 0.294 1
1 518 . 20 1 1 A 50 50 MET CA C 47 55.595 57.917 -2.322 1
1 519 . 20 1 1 A 50 50 MET CB C 47 32.625 33.062 -0.437 1
1 521 . 20 1 1 A 50 50 MET N N 47 120.102 124.880 -4.778 1
1 522 . 20 1 1 A 51 51 LYS H H 48 8.198 7.584 0.614 1
1 523 . 20 1 1 A 51 51 LYS HA H 48 4.343 4.825 -0.482 1
1 532 . 20 1 1 A 51 51 LYS C C 48 176.273 175.339 0.934 1
1 533 . 20 1 1 A 51 51 LYS CA C 48 56.158 54.854 1.304 1
1 534 . 20 1 1 A 51 51 LYS CB C 48 33.042 35.383 -2.341 1
1 538 . 20 1 1 A 51 51 LYS N N 48 121.811 114.263 7.548 1
1 539 . 20 1 1 A 52 52 GLN H H 49 8.372 8.096 0.276 1
1 540 . 20 1 1 A 52 52 GLN HA H 49 4.330 4.587 -0.257 1
1 545 . 20 1 1 A 52 52 GLN C C 49 175.303 174.803 0.500 1
1 546 . 20 1 1 A 52 52 GLN CA C 49 55.180 53.824 1.356 1
1 547 . 20 1 1 A 52 52 GLN CB C 49 30.017 29.284 0.733 1
1 549 . 20 1 1 A 52 52 GLN N N 49 120.928 119.487 1.441 1
1 550 . 20 1 1 A 53 53 GLN H H 50 8.366 8.760 -0.394 1
1 551 . 20 1 1 A 53 53 GLN HA H 50 4.455 4.961 -0.506 1
1 558 . 20 1 1 A 53 53 GLN C C 50 175.616 174.330 1.286 1
1 559 . 20 1 1 A 53 53 GLN CA C 50 55.825 53.958 1.867 1
1 560 . 20 1 1 A 53 53 GLN CB C 50 29.988 32.158 -2.170 1
1 562 . 20 1 1 A 53 53 GLN N N 50 122.169 114.982 7.187 1
1 564 . 20 1 1 A 54 54 VAL H H 51 8.577 8.060 0.517 1
1 565 . 20 1 1 A 54 54 VAL HA H 51 3.999 4.811 -0.812 1
1 570 . 20 1 1 A 54 54 VAL C C 51 174.678 174.408 0.270 1
1 571 . 20 1 1 A 54 54 VAL CA C 51 62.792 60.295 2.497 1
1 572 . 20 1 1 A 54 54 VAL CB C 51 32.809 35.252 -2.443 1
1 574 . 20 1 1 A 54 54 VAL N N 51 124.540 120.635 3.905 1
1 575 . 20 1 1 A 55 55 LYS H H 52 8.025 9.066 -1.041 1
1 576 . 20 1 1 A 55 55 LYS HA H 52 5.098 5.695 -0.597 1
1 585 . 20 1 1 A 55 55 LYS C C 52 175.397 174.967 0.430 1
1 586 . 20 1 1 A 55 55 LYS CA C 52 55.259 54.677 0.582 1
1 587 . 20 1 1 A 55 55 LYS CB C 52 35.090 36.089 -0.999 1
1 591 . 20 1 1 A 55 55 LYS N N 52 123.649 123.148 0.501 1
1 592 . 20 1 1 A 56 56 LEU H H 53 8.965 9.104 -0.139 1
1 593 . 20 1 1 A 56 56 LEU HA H 53 4.527 5.020 -0.493 1
1 602 . 20 1 1 A 56 56 LEU C C 53 175.272 176.264 -0.992 1
1 603 . 20 1 1 A 56 56 LEU CA C 53 53.385 53.149 0.236 1
1 604 . 20 1 1 A 56 56 LEU CB C 53 45.496 45.151 0.345 1
1 607 . 20 1 1 A 56 56 LEU N N 53 125.718 124.787 0.931 1
1 608 . 20 1 1 A 57 57 THR H H 54 7.647 8.805 -1.158 1
1 609 . 20 1 1 A 57 57 THR HA H 54 5.197 5.518 -0.321 1
1 614 . 20 1 1 A 57 57 THR C C 54 173.426 173.132 0.294 1
1 615 . 20 1 1 A 57 57 THR CA C 54 60.016 59.962 0.054 1
1 616 . 20 1 1 A 57 57 THR CB C 54 71.074 71.099 -0.025 1
1 618 . 20 1 1 A 57 57 THR N N 54 110.955 112.330 -1.375 1
1 619 . 20 1 1 A 58 58 PHE H H 55 9.240 9.082 0.158 1
1 620 . 20 1 1 A 58 58 PHE HA H 55 4.703 4.953 -0.250 1
1 626 . 20 1 1 A 58 58 PHE C C 55 175.225 176.092 -0.867 1
1 627 . 20 1 1 A 58 58 PHE CA C 55 56.721 56.288 0.433 1
1 628 . 20 1 1 A 58 58 PHE CB C 55 44.606 42.992 1.614 1
1 631 . 20 1 1 A 58 58 PHE N N 55 119.380 120.357 -0.977 1
1 632 . 20 1 1 A 59 59 GLU H H 56 8.828 8.899 -0.071 1
1 633 . 20 1 1 A 59 59 GLU HA H 56 4.390 4.357 0.033 1
1 638 . 20 1 1 A 59 59 GLU C C 56 176.868 176.647 0.221 1
1 639 . 20 1 1 A 59 59 GLU CA C 56 58.849 58.515 0.334 1
1 640 . 20 1 1 A 59 59 GLU CB C 56 30.977 31.013 -0.036 1
1 642 . 20 1 1 A 59 59 GLU N N 56 119.209 121.180 -1.971 1
1 643 . 20 1 1 A 60 60 THR H H 57 7.090 7.551 -0.461 1
1 644 . 20 1 1 A 60 60 THR HA H 57 4.538 4.581 -0.043 1
1 649 . 20 1 1 A 60 60 THR C C 57 173.113 174.813 -1.700 1
1 650 . 20 1 1 A 60 60 THR CA C 57 58.619 59.314 -0.695 1
1 651 . 20 1 1 A 60 60 THR CB C 57 72.972 72.612 0.360 1
1 653 . 20 1 1 A 60 60 THR N N 57 102.317 110.193 -7.876 1
1 654 . 20 1 1 A 61 61 GLN H H 58 7.590 7.862 -0.272 1
1 655 . 20 1 1 A 61 61 GLN HA H 58 2.307 3.314 -1.007 1
1 662 . 20 1 1 A 61 61 GLN C C 58 177.713 177.235 0.478 1
1 663 . 20 1 1 A 61 61 GLN CA C 58 58.692 58.698 -0.006 1
1 664 . 20 1 1 A 61 61 GLN CB C 58 27.689 27.426 0.263 1
1 666 . 20 1 1 A 61 61 GLN N N 58 122.133 120.954 1.179 1
1 668 . 20 1 1 A 62 62 GLU H H 59 8.587 8.066 0.521 1
1 669 . 20 1 1 A 62 62 GLU HA H 59 3.673 3.849 -0.176 1
1 674 . 20 1 1 A 62 62 GLU C C 59 179.337 179.457 -0.120 1
1 675 . 20 1 1 A 62 62 GLU CA C 59 59.847 59.141 0.706 1
1 676 . 20 1 1 A 62 62 GLU CB C 59 28.578 29.098 -0.520 1
1 678 . 20 1 1 A 62 62 GLU N N 59 117.069 118.680 -1.611 1
1 679 . 20 1 1 A 63 63 GLN H H 60 7.671 7.459 0.212 1
1 680 . 20 1 1 A 63 63 GLN HA H 60 3.812 3.849 -0.037 1
1 687 . 20 1 1 A 63 63 GLN C C 60 178.339 177.359 0.980 1
1 688 . 20 1 1 A 63 63 GLN CA C 60 58.411 58.749 -0.338 1
1 689 . 20 1 1 A 63 63 GLN CB C 60 29.308 28.646 0.662 1
1 691 . 20 1 1 A 63 63 GLN N N 60 118.959 118.831 0.128 1
1 693 . 20 1 1 A 64 64 ALA H H 61 6.836 7.477 -0.641 1
1 694 . 20 1 1 A 64 64 ALA HA H 61 1.982 2.965 -0.983 1
1 698 . 20 1 1 A 64 64 ALA C C 61 178.151 179.216 -1.065 1
1 699 . 20 1 1 A 64 64 ALA CA C 61 54.112 54.358 -0.246 1
1 700 . 20 1 1 A 64 64 ALA CB C 61 18.627 18.063 0.564 1
1 701 . 20 1 1 A 64 64 ALA N N 61 123.296 122.140 1.156 1
1 702 . 20 1 1 A 65 65 GLU H H 62 8.014 8.159 -0.145 1
1 703 . 20 1 1 A 65 65 GLU HA H 62 2.853 3.498 -0.645 1
1 708 . 20 1 1 A 65 65 GLU C C 62 177.901 178.448 -0.547 1
1 709 . 20 1 1 A 65 65 GLU CA C 62 60.601 58.893 1.708 1
1 710 . 20 1 1 A 65 65 GLU CB C 62 30.597 28.602 1.995 1
1 712 . 20 1 1 A 65 65 GLU N N 62 115.643 116.213 -0.570 1
1 713 . 20 1 1 A 66 66 ALA H H 63 7.954 7.594 0.360 1
1 714 . 20 1 1 A 66 66 ALA HA H 63 3.812 3.982 -0.170 1
1 718 . 20 1 1 A 66 66 ALA C C 63 180.245 179.402 0.843 1
1 719 . 20 1 1 A 66 66 ALA CA C 63 54.968 54.681 0.287 1
1 720 . 20 1 1 A 66 66 ALA CB C 63 17.876 18.008 -0.132 1
1 721 . 20 1 1 A 66 66 ALA N N 63 120.250 121.690 -1.440 1
1 722 . 20 1 1 A 67 67 TYR H H 64 7.373 7.341 0.032 1
1 723 . 20 1 1 A 67 67 TYR HA H 64 3.789 4.018 -0.229 1
1 730 . 20 1 1 A 67 67 TYR C C 64 176.680 176.583 0.097 1
1 731 . 20 1 1 A 67 67 TYR CA C 64 61.624 61.721 -0.097 1
1 732 . 20 1 1 A 67 67 TYR CB C 64 38.947 38.475 0.472 1
1 735 . 20 1 1 A 67 67 TYR N N 64 119.523 119.910 -0.387 1
1 736 . 20 1 1 A 68 68 ALA H H 65 7.653 7.777 -0.124 1
1 737 . 20 1 1 A 68 68 ALA HA H 65 3.608 3.693 -0.085 1
1 741 . 20 1 1 A 68 68 ALA C C 65 179.650 179.613 0.037 1
1 742 . 20 1 1 A 68 68 ALA CA C 65 55.407 55.087 0.320 1
1 743 . 20 1 1 A 68 68 ALA CB C 65 18.001 17.992 0.009 1
1 744 . 20 1 1 A 68 68 ALA N N 65 120.416 121.428 -1.012 1
1 745 . 20 1 1 A 69 69 GLN H H 66 8.491 7.894 0.597 1
1 746 . 20 1 1 A 69 69 GLN HA H 66 4.150 3.957 0.193 1
1 753 . 20 1 1 A 69 69 GLN C C 66 180.119 178.497 1.622 1
1 754 . 20 1 1 A 69 69 GLN CA C 66 58.639 58.760 -0.121 1
1 755 . 20 1 1 A 69 69 GLN CB C 66 28.035 28.422 -0.387 1
1 757 . 20 1 1 A 69 69 GLN N N 66 115.832 117.223 -1.391 1
1 759 . 20 1 1 A 70 70 ARG H H 67 7.962 7.851 0.111 1
1 760 . 20 1 1 A 70 70 ARG HA H 67 3.991 3.930 0.061 1
1 767 . 20 1 1 A 70 70 ARG C C 67 178.370 178.652 -0.282 1
1 768 . 20 1 1 A 70 70 ARG CA C 67 58.849 59.137 -0.288 1
1 769 . 20 1 1 A 70 70 ARG CB C 67 29.735 29.831 -0.096 1
1 772 . 20 1 1 A 70 70 ARG N N 67 120.213 120.223 -0.010 1
1 773 . 20 1 1 A 71 71 LYS H H 68 7.506 7.201 0.305 1
1 774 . 20 1 1 A 71 71 LYS HA H 68 4.132 4.141 -0.009 1
1 783 . 20 1 1 A 71 71 LYS C C 68 176.712 176.858 -0.146 1
1 784 . 20 1 1 A 71 71 LYS CA C 68 54.781 56.019 -1.238 1
1 785 . 20 1 1 A 71 71 LYS CB C 68 32.447 32.751 -0.304 1
1 789 . 20 1 1 A 71 71 LYS N N 68 115.757 115.701 0.056 1
1 790 . 20 1 1 A 72 72 GLY H H 69 7.680 7.642 0.038 1
1 791 . 20 1 1 A 72 72 GLY HA2 H 69 3.887 3.945 -0.058 1
1 792 . 20 1 1 A 72 72 GLY HA3 H 69 3.818 3.947 -0.129 1
1 793 . 20 1 1 A 72 72 GLY C C 69 175.415 174.389 1.026 1
1 794 . 20 1 1 A 72 72 GLY CA C 69 46.621 45.062 1.559 1
1 795 . 20 1 1 A 72 72 GLY N N 69 109.542 105.825 3.717 1
1 796 . 20 1 1 A 73 73 ILE H H 70 8.180 7.388 0.792 1
1 797 . 20 1 1 A 73 73 ILE HA H 70 3.951 4.009 -0.058 1
1 805 . 20 1 1 A 73 73 ILE C C 70 175.835 175.881 -0.046 1
1 806 . 20 1 1 A 73 73 ILE CA C 70 60.560 61.278 -0.718 1
1 807 . 20 1 1 A 73 73 ILE CB C 70 40.035 37.977 2.058 1
1 810 . 20 1 1 A 73 73 ILE N N 70 121.234 123.001 -1.767 1
1 811 . 20 1 1 A 74 74 GLU H H 71 8.428 8.497 -0.069 1
1 812 . 20 1 1 A 74 74 GLU HA H 71 4.289 4.307 -0.018 1
1 817 . 20 1 1 A 74 74 GLU C C 71 175.460 176.409 -0.949 1
1 818 . 20 1 1 A 74 74 GLU CA C 71 56.533 56.883 -0.350 1
1 819 . 20 1 1 A 74 74 GLU CB C 71 29.683 29.883 -0.200 1
1 821 . 20 1 1 A 74 74 GLU N N 71 129.096 127.769 1.327 1
1 822 . 20 1 1 A 75 75 TYR H H 72 8.004 8.656 -0.652 1
1 823 . 20 1 1 A 75 75 TYR HA H 72 5.805 5.829 -0.024 1
1 830 . 20 1 1 A 75 75 TYR C C 72 173.332 172.632 0.700 1
1 831 . 20 1 1 A 75 75 TYR CA C 72 55.323 55.633 -0.310 1
1 832 . 20 1 1 A 75 75 TYR CB C 72 42.290 42.180 0.110 1
1 835 . 20 1 1 A 75 75 TYR N N 72 120.850 118.021 2.829 1
1 836 . 20 1 1 A 76 76 ARG H H 73 7.936 8.841 -0.905 1
1 837 . 20 1 1 A 76 76 ARG HA H 73 4.656 4.937 -0.281 1
1 844 . 20 1 1 A 76 76 ARG C C 73 174.302 175.404 -1.102 1
1 845 . 20 1 1 A 76 76 ARG CA C 73 53.883 54.689 -0.806 1
1 846 . 20 1 1 A 76 76 ARG CB C 73 32.856 33.320 -0.464 1
1 849 . 20 1 1 A 76 76 ARG N N 73 117.640 121.281 -3.641 1
1 850 . 20 1 1 A 77 77 VAL H H 74 8.859 8.796 0.063 1
1 851 . 20 1 1 A 77 77 VAL HA H 74 4.885 4.995 -0.110 1
1 859 . 20 1 1 A 77 77 VAL C C 74 176.023 175.410 0.613 1
1 860 . 20 1 1 A 77 77 VAL CA C 74 61.540 61.668 -0.128 1
1 861 . 20 1 1 A 77 77 VAL CB C 74 32.377 33.033 -0.656 1
1 864 . 20 1 1 A 77 77 VAL N N 74 124.091 123.204 0.887 1
1 865 . 20 1 1 A 78 78 ILE H H 75 9.282 9.464 -0.182 1
1 866 . 20 1 1 A 78 78 ILE HA H 75 4.297 4.961 -0.664 1
1 876 . 20 1 1 A 78 78 ILE C C 75 175.178 175.530 -0.352 1
1 877 . 20 1 1 A 78 78 ILE CA C 75 59.850 59.674 0.176 1
1 878 . 20 1 1 A 78 78 ILE CB C 75 37.546 40.506 -2.960 1
1 882 . 20 1 1 A 78 78 ILE N N 75 130.317 125.848 4.469 1
1 883 . 20 1 1 A 79 79 LEU H H 76 8.428 8.898 -0.470 1
1 884 . 20 1 1 A 79 79 LEU HA H 76 4.747 4.690 0.057 1
1 894 . 20 1 1 A 79 79 LEU CA C 76 52.672 53.880 -1.208 1
1 895 . 20 1 1 A 79 79 LEU CB C 76 41.865 41.384 0.481 1
1 899 . 20 1 1 A 79 79 LEU N N 76 128.194 129.199 -1.005 1
1 900 . 20 1 1 A 80 80 PRO HA H 77 4.402 4.602 -0.200 1
1 907 . 20 1 1 A 80 80 PRO C C 77 177.087 177.074 0.013 1
1 908 . 20 1 1 A 80 80 PRO CA C 77 63.104 61.995 1.109 1
1 909 . 20 1 1 A 80 80 PRO CB C 77 32.145 32.798 -0.653 1
1 912 . 20 1 1 A 81 81 LYS H H 78 8.373 8.625 -0.252 1
1 913 . 20 1 1 A 81 81 LYS HA H 78 4.205 3.981 0.224 1
1 922 . 20 1 1 A 81 81 LYS C C 78 174.200 176.698 -2.498 1
1 923 . 20 1 1 A 81 81 LYS CA C 78 57.050 58.325 -1.275 1
1 924 . 20 1 1 A 81 81 LYS CB C 78 32.750 31.875 0.875 1
1 928 . 20 1 1 A 81 81 LYS N N 78 121.644 120.604 1.040 1
1 929 . 20 1 1 A 82 82 GLU H H 79 8.452 8.249 0.203 1
1 930 . 20 1 1 A 82 82 GLU HA H 79 4.216 4.491 -0.275 1
1 935 . 20 1 1 A 82 82 GLU C C 79 176.336 176.544 -0.208 1
1 936 . 20 1 1 A 82 82 GLU CA C 79 56.533 55.434 1.099 1
1 937 . 20 1 1 A 82 82 GLU CB C 79 29.996 28.850 1.146 1
1 939 . 20 1 1 A 82 82 GLU N N 79 121.461 116.907 4.554 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 71 0.980 1
2 1 1 1 "RMS(OBS, PRED)" CA 76 1.131 1
3 1 1 1 "RMS(OBS, PRED)" CB 72 1.275 1
4 1 1 1 "RMS(OBS, PRED)" H 71 0.479 1
5 1 1 1 "RMS(OBS, PRED)" HA 79 0.373 1
6 1 1 1 "RMS(OBS, PRED)" N 71 3.236 1
7 1 2 1 "RMS(OBS, PRED)" C 71 1.056 1
8 1 2 1 "RMS(OBS, PRED)" CA 76 1.153 1
9 1 2 1 "RMS(OBS, PRED)" CB 72 1.262 1
10 1 2 1 "RMS(OBS, PRED)" H 71 0.465 1
11 1 2 1 "RMS(OBS, PRED)" HA 79 0.349 1
12 1 2 1 "RMS(OBS, PRED)" N 71 2.815 1
13 1 3 1 "RMS(OBS, PRED)" C 71 0.882 1
14 1 3 1 "RMS(OBS, PRED)" CA 76 1.174 1
15 1 3 1 "RMS(OBS, PRED)" CB 72 1.365 1
16 1 3 1 "RMS(OBS, PRED)" H 71 0.443 1
17 1 3 1 "RMS(OBS, PRED)" HA 79 0.345 1
18 1 3 1 "RMS(OBS, PRED)" N 71 3.148 1
19 1 4 1 "RMS(OBS, PRED)" C 71 1.001 1
20 1 4 1 "RMS(OBS, PRED)" CA 76 1.187 1
21 1 4 1 "RMS(OBS, PRED)" CB 72 1.467 1
22 1 4 1 "RMS(OBS, PRED)" H 71 0.479 1
23 1 4 1 "RMS(OBS, PRED)" HA 79 0.379 1
24 1 4 1 "RMS(OBS, PRED)" N 71 2.866 1
25 1 5 1 "RMS(OBS, PRED)" C 71 1.003 1
26 1 5 1 "RMS(OBS, PRED)" CA 76 1.261 1
27 1 5 1 "RMS(OBS, PRED)" CB 72 1.251 1
28 1 5 1 "RMS(OBS, PRED)" H 71 0.500 1
29 1 5 1 "RMS(OBS, PRED)" HA 79 0.354 1
30 1 5 1 "RMS(OBS, PRED)" N 71 2.895 1
31 1 6 1 "RMS(OBS, PRED)" C 71 0.939 1
32 1 6 1 "RMS(OBS, PRED)" CA 76 1.130 1
33 1 6 1 "RMS(OBS, PRED)" CB 72 1.373 1
34 1 6 1 "RMS(OBS, PRED)" H 71 0.500 1
35 1 6 1 "RMS(OBS, PRED)" HA 79 0.365 1
36 1 6 1 "RMS(OBS, PRED)" N 71 3.077 1
37 1 7 1 "RMS(OBS, PRED)" C 71 0.907 1
38 1 7 1 "RMS(OBS, PRED)" CA 76 1.014 1
39 1 7 1 "RMS(OBS, PRED)" CB 72 1.132 1
40 1 7 1 "RMS(OBS, PRED)" H 71 0.482 1
41 1 7 1 "RMS(OBS, PRED)" HA 79 0.362 1
42 1 7 1 "RMS(OBS, PRED)" N 71 3.540 1
43 1 8 1 "RMS(OBS, PRED)" C 71 1.065 1
44 1 8 1 "RMS(OBS, PRED)" CA 76 1.361 1
45 1 8 1 "RMS(OBS, PRED)" CB 72 1.249 1
46 1 8 1 "RMS(OBS, PRED)" H 71 0.453 1
47 1 8 1 "RMS(OBS, PRED)" HA 79 0.365 1
48 1 8 1 "RMS(OBS, PRED)" N 71 3.451 1
49 1 9 1 "RMS(OBS, PRED)" C 71 0.845 1
50 1 9 1 "RMS(OBS, PRED)" CA 76 1.152 1
51 1 9 1 "RMS(OBS, PRED)" CB 72 1.281 1
52 1 9 1 "RMS(OBS, PRED)" H 71 0.461 1
53 1 9 1 "RMS(OBS, PRED)" HA 79 0.340 1
54 1 9 1 "RMS(OBS, PRED)" N 71 3.197 1
55 1 10 1 "RMS(OBS, PRED)" C 71 1.080 1
56 1 10 1 "RMS(OBS, PRED)" CA 76 1.254 1
57 1 10 1 "RMS(OBS, PRED)" CB 72 1.251 1
58 1 10 1 "RMS(OBS, PRED)" H 71 0.504 1
59 1 10 1 "RMS(OBS, PRED)" HA 79 0.425 1
60 1 10 1 "RMS(OBS, PRED)" N 71 3.187 1
61 1 11 1 "RMS(OBS, PRED)" C 71 0.999 1
62 1 11 1 "RMS(OBS, PRED)" CA 76 1.203 1
63 1 11 1 "RMS(OBS, PRED)" CB 72 1.375 1
64 1 11 1 "RMS(OBS, PRED)" H 71 0.463 1
65 1 11 1 "RMS(OBS, PRED)" HA 79 0.384 1
66 1 11 1 "RMS(OBS, PRED)" N 71 3.047 1
67 1 12 1 "RMS(OBS, PRED)" C 71 0.912 1
68 1 12 1 "RMS(OBS, PRED)" CA 76 1.224 1
69 1 12 1 "RMS(OBS, PRED)" CB 72 1.227 1
70 1 12 1 "RMS(OBS, PRED)" H 71 0.438 1
71 1 12 1 "RMS(OBS, PRED)" HA 79 0.351 1
72 1 12 1 "RMS(OBS, PRED)" N 71 3.176 1
73 1 13 1 "RMS(OBS, PRED)" C 71 0.889 1
74 1 13 1 "RMS(OBS, PRED)" CA 76 1.231 1
75 1 13 1 "RMS(OBS, PRED)" CB 72 1.331 1
76 1 13 1 "RMS(OBS, PRED)" H 71 0.455 1
77 1 13 1 "RMS(OBS, PRED)" HA 79 0.389 1
78 1 13 1 "RMS(OBS, PRED)" N 71 2.912 1
79 1 14 1 "RMS(OBS, PRED)" C 71 1.014 1
80 1 14 1 "RMS(OBS, PRED)" CA 76 1.287 1
81 1 14 1 "RMS(OBS, PRED)" CB 72 1.207 1
82 1 14 1 "RMS(OBS, PRED)" H 71 0.515 1
83 1 14 1 "RMS(OBS, PRED)" HA 79 0.412 1
84 1 14 1 "RMS(OBS, PRED)" N 71 3.064 1
85 1 15 1 "RMS(OBS, PRED)" C 71 0.912 1
86 1 15 1 "RMS(OBS, PRED)" CA 76 1.283 1
87 1 15 1 "RMS(OBS, PRED)" CB 72 1.367 1
88 1 15 1 "RMS(OBS, PRED)" H 71 0.462 1
89 1 15 1 "RMS(OBS, PRED)" HA 79 0.385 1
90 1 15 1 "RMS(OBS, PRED)" N 71 3.147 1
91 1 16 1 "RMS(OBS, PRED)" C 71 0.981 1
92 1 16 1 "RMS(OBS, PRED)" CA 76 1.192 1
93 1 16 1 "RMS(OBS, PRED)" CB 72 1.233 1
94 1 16 1 "RMS(OBS, PRED)" H 71 0.512 1
95 1 16 1 "RMS(OBS, PRED)" HA 79 0.360 1
96 1 16 1 "RMS(OBS, PRED)" N 71 2.872 1
97 1 17 1 "RMS(OBS, PRED)" C 71 1.010 1
98 1 17 1 "RMS(OBS, PRED)" CA 76 1.155 1
99 1 17 1 "RMS(OBS, PRED)" CB 72 1.524 1
100 1 17 1 "RMS(OBS, PRED)" H 71 0.485 1
101 1 17 1 "RMS(OBS, PRED)" HA 79 0.389 1
102 1 17 1 "RMS(OBS, PRED)" N 71 2.987 1
103 1 18 1 "RMS(OBS, PRED)" C 71 1.042 1
104 1 18 1 "RMS(OBS, PRED)" CA 76 1.399 1
105 1 18 1 "RMS(OBS, PRED)" CB 72 1.248 1
106 1 18 1 "RMS(OBS, PRED)" H 71 0.465 1
107 1 18 1 "RMS(OBS, PRED)" HA 79 0.384 1
108 1 18 1 "RMS(OBS, PRED)" N 71 3.025 1
109 1 19 1 "RMS(OBS, PRED)" C 71 0.912 1
110 1 19 1 "RMS(OBS, PRED)" CA 76 1.313 1
111 1 19 1 "RMS(OBS, PRED)" CB 72 1.226 1
112 1 19 1 "RMS(OBS, PRED)" H 71 0.417 1
113 1 19 1 "RMS(OBS, PRED)" HA 79 0.360 1
114 1 19 1 "RMS(OBS, PRED)" N 71 2.983 1
115 1 20 1 "RMS(OBS, PRED)" C 71 0.936 1
116 1 20 1 "RMS(OBS, PRED)" CA 76 1.364 1
117 1 20 1 "RMS(OBS, PRED)" CB 72 1.433 1
118 1 20 1 "RMS(OBS, PRED)" H 71 0.495 1
119 1 20 1 "RMS(OBS, PRED)" HA 79 0.377 1
120 1 20 1 "RMS(OBS, PRED)" N 71 3.143 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 10 . 1 1 A 5 5 SER H H 2 8.403 8.920 -0.517 2
1 11 . 1 1 A 5 5 SER HA H 2 5.099 5.670 -0.571 2
1 14 . 1 1 A 5 5 SER C C 2 173.833 173.198 0.635 2
1 15 . 1 1 A 5 5 SER CA C 2 57.556 57.221 0.336 2
1 16 . 1 1 A 5 5 SER CB C 2 65.337 65.150 0.187 2
1 17 . 1 1 A 5 5 SER N N 2 116.747 117.709 -0.962 2
1 18 . 1 1 A 6 6 ALA H H 3 8.552 9.212 -0.660 2
1 19 . 1 1 A 6 6 ALA HA H 3 5.040 5.541 -0.501 2
1 23 . 1 1 A 6 6 ALA C C 3 176.117 176.892 -0.775 2
1 24 . 1 1 A 6 6 ALA CA C 3 51.500 50.550 0.950 2
1 25 . 1 1 A 6 6 ALA CB C 3 23.991 21.270 2.721 2
1 26 . 1 1 A 6 6 ALA N N 3 123.072 128.508 -5.436 2
1 27 . 1 1 A 7 7 LYS H H 4 8.706 9.405 -0.699 2
1 28 . 1 1 A 7 7 LYS HA H 4 5.428 5.406 0.022 2
1 37 . 1 1 A 7 7 LYS C C 4 174.490 175.494 -1.004 2
1 38 . 1 1 A 7 7 LYS CA C 4 54.280 55.242 -0.962 2
1 39 . 1 1 A 7 7 LYS CB C 4 36.399 34.889 1.510 2
1 43 . 1 1 A 7 7 LYS N N 4 117.868 120.023 -2.155 2
1 44 . 1 1 A 8 8 ILE H H 5 8.752 9.027 -0.275 2
1 45 . 1 1 A 8 8 ILE HA H 5 5.741 5.205 0.536 2
1 55 . 1 1 A 8 8 ILE C C 5 174.552 175.069 -0.517 2
1 56 . 1 1 A 8 8 ILE CA C 5 59.953 60.691 -0.738 2
1 57 . 1 1 A 8 8 ILE CB C 5 41.115 39.184 1.931 2
1 61 . 1 1 A 8 8 ILE N N 5 122.521 126.186 -3.665 2
1 62 . 1 1 A 9 9 TYR H H 6 8.980 8.740 0.240 2
1 63 . 1 1 A 9 9 TYR HA H 6 5.214 5.675 -0.461 2
1 68 . 1 1 A 9 9 TYR C C 6 171.856 172.546 -0.690 2
1 69 . 1 1 A 9 9 TYR CA C 6 56.053 55.936 0.117 2
1 70 . 1 1 A 9 9 TYR CB C 6 40.371 41.469 -1.098 2
1 72 . 1 1 A 9 9 TYR N N 6 122.495 124.514 -2.019 2
1 73 . 1 1 A 10 10 ARG H H 7 8.830 8.587 0.243 2
1 74 . 1 1 A 10 10 ARG HA H 7 4.498 4.641 -0.143 2
1 81 . 1 1 A 10 10 ARG CA C 7 51.891 52.724 -0.833 2
1 82 . 1 1 A 10 10 ARG CB C 7 30.299 31.620 -1.321 2
1 85 . 1 1 A 10 10 ARG N N 7 122.632 120.546 2.086 2
1 86 . 1 1 A 11 11 PRO HA H 8 4.369 4.731 -0.362 2
1 93 . 1 1 A 11 11 PRO C C 8 176.086 177.062 -0.976 2
1 94 . 1 1 A 11 11 PRO CA C 8 62.730 62.626 0.104 2
1 95 . 1 1 A 11 11 PRO CB C 8 32.364 32.757 -0.393 2
1 98 . 1 1 A 12 12 ALA H H 9 8.384 8.512 -0.128 2
1 99 . 1 1 A 12 12 ALA HA H 9 4.193 4.153 0.040 2
1 103 . 1 1 A 12 12 ALA C C 9 177.948 177.859 0.089 2
1 104 . 1 1 A 12 12 ALA CA C 9 52.406 54.044 -1.638 2
1 105 . 1 1 A 12 12 ALA CB C 9 19.441 19.168 0.273 2
1 106 . 1 1 A 12 12 ALA N N 9 124.348 123.846 0.502 2
1 107 . 1 1 A 13 13 LYS H H 10 8.242 7.765 0.477 2
1 108 . 1 1 A 13 13 LYS HA H 10 4.289 4.594 -0.305 2
1 117 . 1 1 A 13 13 LYS C C 10 176.555 175.955 0.600 2
1 118 . 1 1 A 13 13 LYS CA C 10 56.345 55.949 0.396 2
1 119 . 1 1 A 13 13 LYS CB C 10 33.052 33.878 -0.826 2
1 123 . 1 1 A 13 13 LYS N N 10 120.348 115.202 5.146 2
1 124 . 1 1 A 14 14 THR H H 11 7.950 8.364 -0.414 2
1 125 . 1 1 A 14 14 THR HA H 11 4.320 4.490 -0.170 2
1 130 . 1 1 A 14 14 THR C C 11 174.302 174.178 0.124 2
1 131 . 1 1 A 14 14 THR CA C 11 61.603 62.028 -0.425 2
1 132 . 1 1 A 14 14 THR CB C 11 69.699 69.888 -0.189 2
1 134 . 1 1 A 14 14 THR N N 11 112.991 114.650 -1.659 2
1 135 . 1 1 A 15 15 ALA H H 12 8.189 8.175 0.014 2
1 136 . 1 1 A 15 15 ALA HA H 12 4.250 4.343 -0.093 2
1 140 . 1 1 A 15 15 ALA C C 12 177.838 177.201 0.637 2
1 141 . 1 1 A 15 15 ALA CA C 12 52.840 52.161 0.679 2
1 142 . 1 1 A 15 15 ALA CB C 12 19.231 19.611 -0.380 2
1 143 . 1 1 A 15 15 ALA N N 12 125.979 124.966 1.013 2
1 144 . 1 1 A 16 16 MET H H 13 8.110 8.520 -0.410 2
1 145 . 1 1 A 16 16 MET HA H 13 4.374 4.510 -0.136 2
1 150 . 1 1 A 16 16 MET C C 13 176.148 175.749 0.399 2
1 151 . 1 1 A 16 16 MET CA C 13 55.595 55.283 0.312 2
1 152 . 1 1 A 16 16 MET CB C 13 32.625 32.609 0.016 2
1 154 . 1 1 A 16 16 MET N N 13 118.186 119.214 -1.028 2
1 155 . 1 1 A 17 17 GLN H H 14 8.198 8.324 -0.126 2
1 156 . 1 1 A 17 17 GLN HA H 14 4.273 4.454 -0.181 2
1 161 . 1 1 A 17 17 GLN C C 14 175.992 175.493 0.499 2
1 162 . 1 1 A 17 17 GLN CA C 14 56.032 55.881 0.151 2
1 163 . 1 1 A 17 17 GLN CB C 14 29.371 29.083 0.288 2
1 165 . 1 1 A 17 17 GLN N N 14 121.811 122.237 -0.426 2
1 166 . 1 1 A 18 18 SER H H 15 8.275 8.417 -0.142 2
1 167 . 1 1 A 18 18 SER HA H 15 4.379 4.577 -0.198 2
1 170 . 1 1 A 18 18 SER C C 15 175.053 174.467 0.586 2
1 171 . 1 1 A 18 18 SER CA C 15 58.536 58.422 0.114 2
1 172 . 1 1 A 18 18 SER CB C 15 63.856 64.200 -0.344 2
1 173 . 1 1 A 18 18 SER N N 15 116.768 118.386 -1.618 2
1 174 . 1 1 A 19 19 GLY H H 16 8.430 8.441 -0.011 2
1 175 . 1 1 A 19 19 GLY HA2 H 16 4.031 3.902 0.129 2
1 176 . 1 1 A 19 19 GLY HA3 H 16 3.906 3.903 0.003 2
1 177 . 1 1 A 19 19 GLY C C 16 174.490 174.379 0.111 2
1 178 . 1 1 A 19 19 GLY CA C 16 45.580 46.352 -0.772 2
1 179 . 1 1 A 19 19 GLY N N 16 111.050 109.972 1.078 2
1 180 . 1 1 A 20 20 THR H H 17 7.950 7.818 0.132 2
1 181 . 1 1 A 20 20 THR HA H 17 4.289 4.499 -0.210 2
1 185 . 1 1 A 20 20 THR C C 17 174.427 173.942 0.485 2
1 186 . 1 1 A 20 20 THR CA C 17 61.477 61.695 -0.218 2
1 188 . 1 1 A 20 20 THR N N 17 112.991 114.095 -1.104 2
1 189 . 1 1 A 21 21 ALA H H 18 8.247 8.053 0.194 2
1 190 . 1 1 A 21 21 ALA N N 18 125.213 125.422 -0.209 2
1 191 . 1 1 A 22 22 LYS HA H 19 4.265 4.231 0.034 2
1 200 . 1 1 A 22 22 LYS C C 19 176.774 176.874 -0.100 2
1 201 . 1 1 A 22 22 LYS CA C 19 56.596 57.706 -1.110 2
1 202 . 1 1 A 22 22 LYS CB C 19 33.126 32.322 0.804 2
1 206 . 1 1 A 23 23 THR H H 20 8.004 8.014 -0.010 2
1 207 . 1 1 A 23 23 THR HA H 20 4.333 4.411 -0.078 2
1 212 . 1 1 A 23 23 THR C C 20 174.083 173.978 0.105 2
1 213 . 1 1 A 23 23 THR CA C 20 61.682 62.539 -0.857 2
1 214 . 1 1 A 23 23 THR CB C 20 69.908 69.490 0.418 2
1 216 . 1 1 A 23 23 THR N N 20 113.978 113.088 0.890 2
1 217 . 1 1 A 24 24 ASN H H 21 8.289 8.220 0.069 2
1 218 . 1 1 A 24 24 ASN HA H 21 4.689 4.958 -0.269 2
1 223 . 1 1 A 24 24 ASN C C 21 174.177 174.496 -0.319 2
1 224 . 1 1 A 24 24 ASN CA C 21 52.966 52.901 0.065 2
1 225 . 1 1 A 24 24 ASN CB C 21 38.404 39.290 -0.886 2
1 226 . 1 1 A 24 24 ASN N N 21 118.085 121.065 -2.980 2
1 228 . 1 1 A 25 25 VAL H H 22 7.381 8.428 -1.047 2
1 229 . 1 1 A 25 25 VAL HA H 22 4.336 4.785 -0.449 2
1 237 . 1 1 A 25 25 VAL C C 22 174.271 175.271 -1.000 2
1 238 . 1 1 A 25 25 VAL CA C 22 61.540 60.233 1.307 2
1 239 . 1 1 A 25 25 VAL CB C 22 33.771 34.385 -0.614 2
1 242 . 1 1 A 25 25 VAL N N 22 115.156 119.764 -4.608 2
1 243 . 1 1 A 26 26 TRP H H 23 8.581 8.951 -0.370 2
1 244 . 1 1 A 26 26 TRP HA H 23 4.430 5.140 -0.710 2
1 253 . 1 1 A 26 26 TRP C C 23 174.803 175.757 -0.954 2
1 254 . 1 1 A 26 26 TRP CA C 23 56.721 56.823 -0.102 2
1 255 . 1 1 A 26 26 TRP CB C 23 30.651 30.548 0.103 2
1 261 . 1 1 A 26 26 TRP N N 23 120.570 124.088 -3.518 2
1 263 . 1 1 A 27 27 VAL H H 24 9.122 8.770 0.352 2
1 264 . 1 1 A 27 27 VAL HA H 24 4.774 4.688 0.086 2
1 272 . 1 1 A 27 27 VAL C C 24 173.739 174.008 -0.269 2
1 273 . 1 1 A 27 27 VAL CA C 24 60.101 61.423 -1.322 2
1 274 . 1 1 A 27 27 VAL CB C 24 34.726 33.265 1.461 2
1 277 . 1 1 A 27 27 VAL N N 24 121.265 123.433 -2.168 2
1 278 . 1 1 A 28 28 LEU H H 25 8.713 9.071 -0.358 2
1 279 . 1 1 A 28 28 LEU HA H 25 5.126 5.322 -0.196 2
1 288 . 1 1 A 28 28 LEU C C 25 174.177 174.682 -0.505 2
1 289 . 1 1 A 28 28 LEU CA C 25 53.863 53.514 0.349 2
1 290 . 1 1 A 28 28 LEU CB C 25 46.227 44.705 1.522 2
1 293 . 1 1 A 28 28 LEU N N 25 125.972 129.820 -3.848 2
1 294 . 1 1 A 29 29 GLU H H 26 9.283 9.171 0.112 2
1 295 . 1 1 A 29 29 GLU HA H 26 5.353 5.476 -0.123 2
1 300 . 1 1 A 29 29 GLU C C 26 175.867 175.548 0.319 2
1 301 . 1 1 A 29 29 GLU CA C 26 53.883 54.926 -1.043 2
1 302 . 1 1 A 29 29 GLU CB C 26 34.594 32.952 1.642 2
1 304 . 1 1 A 29 29 GLU N N 26 127.083 128.262 -1.179 2
1 305 . 1 1 A 30 30 PHE H H 27 8.761 8.758 0.002 2
1 306 . 1 1 A 30 30 PHE HA H 27 4.797 5.491 -0.694 2
1 313 . 1 1 A 30 30 PHE C C 27 174.959 172.872 2.087 2
1 314 . 1 1 A 30 30 PHE CA C 27 58.160 55.525 2.635 2
1 315 . 1 1 A 30 30 PHE CB C 27 40.218 42.127 -1.909 2
1 318 . 1 1 A 30 30 PHE N N 27 125.378 121.233 4.145 2
1 319 . 1 1 A 31 31 ASP H H 28 8.705 8.577 0.128 2
1 320 . 1 1 A 31 31 ASP HA H 28 4.735 4.647 0.088 2
1 323 . 1 1 A 31 31 ASP C C 28 175.898 175.746 0.152 2
1 324 . 1 1 A 31 31 ASP CA C 28 54.468 54.223 0.245 2
1 325 . 1 1 A 31 31 ASP CB C 28 41.529 40.903 0.627 2
1 326 . 1 1 A 31 31 ASP N N 28 121.546 120.897 0.649 2
1 327 . 1 1 A 32 32 ALA H H 29 8.527 8.434 0.093 2
1 328 . 1 1 A 32 32 ALA HA H 29 4.400 4.333 0.066 2
1 332 . 1 1 A 32 32 ALA C C 29 177.150 178.618 -1.468 2
1 333 . 1 1 A 32 32 ALA CA C 29 52.027 52.393 -0.366 2
1 334 . 1 1 A 32 32 ALA CB C 29 20.212 19.194 1.018 2
1 335 . 1 1 A 32 32 ALA N N 29 124.632 128.097 -3.465 2
1 336 . 1 1 A 33 33 GLU H H 30 8.481 8.878 -0.397 2
1 337 . 1 1 A 33 33 GLU HA H 30 4.281 4.381 -0.100 2
1 342 . 1 1 A 33 33 GLU C C 30 176.336 175.949 0.387 2
1 343 . 1 1 A 33 33 GLU CA C 30 56.309 56.863 -0.554 2
1 344 . 1 1 A 33 33 GLU CB C 30 30.309 29.000 1.309 2
1 346 . 1 1 A 33 33 GLU N N 30 120.547 121.339 -0.792 2
1 347 . 1 1 A 34 34 VAL H H 31 8.140 7.698 0.442 2
1 348 . 1 1 A 34 34 VAL HA H 31 4.332 4.481 -0.149 2
1 353 . 1 1 A 34 34 VAL CA C 31 60.006 59.597 0.409 2
1 354 . 1 1 A 34 34 VAL CB C 31 32.620 33.579 -0.959 2
1 356 . 1 1 A 34 34 VAL N N 31 122.541 122.134 0.407 2
1 357 . 1 1 A 35 35 PRO HA H 32 4.343 4.742 -0.399 2
1 364 . 1 1 A 35 35 PRO C C 32 176.649 176.998 -0.349 2
1 365 . 1 1 A 35 35 PRO CA C 32 63.167 62.277 0.890 2
1 366 . 1 1 A 35 35 PRO CB C 32 31.999 33.068 -1.069 2
1 369 . 1 1 A 36 36 ARG H H 33 8.282 8.642 -0.360 2
1 370 . 1 1 A 36 36 ARG HA H 33 4.268 4.122 0.146 2
1 377 . 1 1 A 36 36 ARG C C 33 176.148 176.384 -0.236 2
1 378 . 1 1 A 36 36 ARG CA C 33 55.845 58.062 -2.217 2
1 379 . 1 1 A 36 36 ARG CB C 33 31.061 29.620 1.441 2
1 382 . 1 1 A 36 36 ARG N N 33 121.352 119.555 1.797 2
1 383 . 1 1 A 37 37 LYS H H 34 8.256 7.731 0.525 2
1 384 . 1 1 A 37 37 LYS HA H 34 4.265 4.386 -0.121 2
1 391 . 1 1 A 37 37 LYS C C 34 176.054 175.445 0.609 2
1 392 . 1 1 A 37 37 LYS CA C 34 56.220 55.859 0.361 2
1 393 . 1 1 A 37 37 LYS CB C 34 33.103 31.802 1.301 2
1 396 . 1 1 A 37 37 LYS N N 34 122.458 120.350 2.108 2
1 397 . 1 1 A 38 38 ILE H H 35 8.066 7.986 0.080 2
1 398 . 1 1 A 38 38 ILE HA H 35 4.053 4.567 -0.514 2
1 408 . 1 1 A 38 38 ILE C C 35 175.397 175.097 0.300 2
1 409 . 1 1 A 38 38 ILE CA C 35 60.560 59.928 0.632 2
1 410 . 1 1 A 38 38 ILE CB C 35 38.883 39.641 -0.758 2
1 414 . 1 1 A 38 38 ILE N N 35 121.996 121.056 0.940 2
1 415 . 1 1 A 39 39 ASP H H 36 8.270 8.546 -0.276 2
1 416 . 1 1 A 39 39 ASP HA H 36 4.824 4.780 0.044 2
1 419 . 1 1 A 39 39 ASP CA C 36 52.138 52.205 -0.067 2
1 420 . 1 1 A 39 39 ASP CB C 36 42.009 41.255 0.754 2
1 421 . 1 1 A 39 39 ASP N N 36 126.273 124.180 2.093 2
1 422 . 1 1 A 40 40 PRO HA H 37 4.295 4.363 -0.068 2
1 429 . 1 1 A 40 40 PRO C C 37 177.275 178.338 -1.063 2
1 430 . 1 1 A 40 40 PRO CA C 37 63.731 64.637 -0.906 2
1 431 . 1 1 A 40 40 PRO CB C 37 32.135 31.857 0.278 2
1 434 . 1 1 A 41 41 ILE H H 38 8.115 7.768 0.347 2
1 435 . 1 1 A 41 41 ILE HA H 38 4.030 3.873 0.157 2
1 445 . 1 1 A 41 41 ILE C C 38 176.993 177.338 -0.345 2
1 446 . 1 1 A 41 41 ILE CA C 38 61.790 63.999 -2.209 2
1 447 . 1 1 A 41 41 ILE CB C 38 38.132 37.944 0.188 2
1 451 . 1 1 A 41 41 ILE N N 38 119.202 117.245 1.957 2
1 452 . 1 1 A 42 42 MET H H 39 8.189 7.801 0.388 2
1 453 . 1 1 A 42 42 MET HA H 39 4.351 4.594 -0.243 2
1 458 . 1 1 A 42 42 MET C C 39 176.962 176.693 0.269 2
1 459 . 1 1 A 42 42 MET CA C 39 55.532 55.613 -0.081 2
1 460 . 1 1 A 42 42 MET CB C 39 32.249 33.200 -0.951 2
1 462 . 1 1 A 42 42 MET N N 39 120.640 118.014 2.626 2
1 463 . 1 1 A 43 43 GLY H H 40 8.105 8.107 -0.002 2
1 464 . 1 1 A 43 43 GLY HA2 H 40 3.931 3.975 -0.044 2
1 465 . 1 1 A 43 43 GLY HA3 H 40 3.740 4.008 -0.268 2
1 466 . 1 1 A 43 43 GLY C C 40 173.707 174.196 -0.489 2
1 467 . 1 1 A 43 43 GLY CA C 40 45.455 45.964 -0.509 2
1 468 . 1 1 A 43 43 GLY N N 40 108.720 108.615 0.105 2
1 469 . 1 1 A 44 44 TYR H H 41 7.984 8.243 -0.259 2
1 470 . 1 1 A 44 44 TYR HA H 41 4.609 4.532 0.077 2
1 477 . 1 1 A 44 44 TYR C C 41 175.929 175.534 0.395 2
1 478 . 1 1 A 44 44 TYR CA C 41 57.847 58.208 -0.361 2
1 479 . 1 1 A 44 44 TYR CB C 41 39.008 38.352 0.656 2
1 482 . 1 1 A 44 44 TYR N N 41 120.435 120.642 -0.207 2
1 483 . 1 1 A 45 45 THR H H 42 8.112 7.939 0.173 2
1 484 . 1 1 A 45 45 THR HA H 42 4.281 4.314 -0.033 2
1 486 . 1 1 A 45 45 THR C C 42 177.024 175.266 1.758 2
1 487 . 1 1 A 45 45 THR CA C 42 61.540 62.075 -0.535 2
1 488 . 1 1 A 45 45 THR CB C 42 70.145 69.469 0.676 2
1 489 . 1 1 A 45 45 THR N N 42 116.187 115.421 0.767 2
1 490 . 1 1 A 46 46 SER H H 43 8.447 8.472 -0.025 2
1 491 . 1 1 A 46 46 SER N N 43 121.723 119.290 2.433 2
1 492 . 1 1 A 47 47 SER HA H 44 4.224 4.573 -0.349 2
1 495 . 1 1 A 47 47 SER CA C 44 59.935 58.009 1.926 2
1 496 . 1 1 A 47 47 SER CB C 44 64.763 63.149 1.614 2
1 497 . 1 1 A 48 48 SER HA H 45 4.365 4.594 -0.229 2
1 500 . 1 1 A 48 48 SER C C 45 174.302 173.440 0.862 2
1 501 . 1 1 A 48 48 SER CA C 45 58.704 57.875 0.829 2
1 502 . 1 1 A 48 48 SER CB C 45 63.564 63.734 -0.170 2
1 503 . 1 1 A 49 49 ASP H H 46 8.198 8.354 -0.156 2
1 504 . 1 1 A 49 49 ASP HA H 46 4.553 4.754 -0.201 2
1 507 . 1 1 A 49 49 ASP C C 46 176.211 176.440 -0.229 2
1 508 . 1 1 A 49 49 ASP CA C 46 54.572 54.027 0.545 2
1 509 . 1 1 A 49 49 ASP CB C 46 40.971 41.872 -0.901 2
1 510 . 1 1 A 49 49 ASP N N 46 121.811 123.700 -1.889 2
1 511 . 1 1 A 50 50 MET H H 47 8.089 8.453 -0.364 2
1 512 . 1 1 A 50 50 MET HA H 47 4.374 4.434 -0.060 2
1 517 . 1 1 A 50 50 MET C C 47 176.100 175.954 0.146 2
1 518 . 1 1 A 50 50 MET CA C 47 55.595 56.533 -0.938 2
1 519 . 1 1 A 50 50 MET CB C 47 32.625 33.365 -0.740 2
1 521 . 1 1 A 50 50 MET N N 47 120.102 121.392 -1.290 2
1 522 . 1 1 A 51 51 LYS H H 48 8.198 7.945 0.253 2
1 523 . 1 1 A 51 51 LYS HA H 48 4.343 4.544 -0.201 2
1 532 . 1 1 A 51 51 LYS C C 48 176.273 175.547 0.726 2
1 533 . 1 1 A 51 51 LYS CA C 48 56.158 55.706 0.452 2
1 534 . 1 1 A 51 51 LYS CB C 48 33.042 33.768 -0.726 2
1 538 . 1 1 A 51 51 LYS N N 48 121.811 116.389 5.422 2
1 539 . 1 1 A 52 52 GLN H H 49 8.372 8.447 -0.075 2
1 540 . 1 1 A 52 52 GLN HA H 49 4.330 4.592 -0.262 2
1 545 . 1 1 A 52 52 GLN C C 49 175.303 174.908 0.395 2
1 546 . 1 1 A 52 52 GLN CA C 49 55.180 54.756 0.424 2
1 547 . 1 1 A 52 52 GLN CB C 49 30.017 29.746 0.271 2
1 549 . 1 1 A 52 52 GLN N N 49 120.928 120.260 0.668 2
1 550 . 1 1 A 53 53 GLN H H 50 8.366 8.532 -0.166 2
1 551 . 1 1 A 53 53 GLN HA H 50 4.455 4.849 -0.394 2
1 558 . 1 1 A 53 53 GLN C C 50 175.616 175.063 0.553 2
1 559 . 1 1 A 53 53 GLN CA C 50 55.825 54.962 0.863 2
1 560 . 1 1 A 53 53 GLN CB C 50 29.988 29.542 0.446 2
1 562 . 1 1 A 53 53 GLN N N 50 122.169 119.567 2.602 2
1 564 . 1 1 A 54 54 VAL H H 51 8.577 8.129 0.448 2
1 565 . 1 1 A 54 54 VAL HA H 51 3.999 4.666 -0.667 2
1 570 . 1 1 A 54 54 VAL C C 51 174.678 174.751 -0.073 2
1 571 . 1 1 A 54 54 VAL CA C 51 62.792 60.201 2.591 2
1 572 . 1 1 A 54 54 VAL CB C 51 32.809 33.992 -1.183 2
1 574 . 1 1 A 54 54 VAL N N 51 124.540 120.510 4.030 2
1 575 . 1 1 A 55 55 LYS H H 52 8.025 8.996 -0.971 2
1 576 . 1 1 A 55 55 LYS HA H 52 5.098 5.545 -0.447 2
1 585 . 1 1 A 55 55 LYS C C 52 175.397 174.754 0.643 2
1 586 . 1 1 A 55 55 LYS CA C 52 55.259 54.467 0.792 2
1 587 . 1 1 A 55 55 LYS CB C 52 35.090 36.140 -1.050 2
1 591 . 1 1 A 55 55 LYS N N 52 123.649 121.133 2.516 2
1 592 . 1 1 A 56 56 LEU H H 53 8.965 8.999 -0.034 2
1 593 . 1 1 A 56 56 LEU HA H 53 4.527 5.040 -0.513 2
1 602 . 1 1 A 56 56 LEU C C 53 175.272 176.098 -0.826 2
1 603 . 1 1 A 56 56 LEU CA C 53 53.385 53.321 0.064 2
1 604 . 1 1 A 56 56 LEU CB C 53 45.496 45.241 0.255 2
1 607 . 1 1 A 56 56 LEU N N 53 125.718 124.191 1.527 2
1 608 . 1 1 A 57 57 THR H H 54 7.647 8.775 -1.129 2
1 609 . 1 1 A 57 57 THR HA H 54 5.197 5.531 -0.334 2
1 614 . 1 1 A 57 57 THR C C 54 173.426 173.325 0.101 2
1 615 . 1 1 A 57 57 THR CA C 54 60.016 60.063 -0.047 2
1 616 . 1 1 A 57 57 THR CB C 54 71.074 70.975 0.099 2
1 618 . 1 1 A 57 57 THR N N 54 110.955 113.007 -2.052 2
1 619 . 1 1 A 58 58 PHE H H 55 9.240 9.004 0.236 2
1 620 . 1 1 A 58 58 PHE HA H 55 4.703 4.917 -0.214 2
1 626 . 1 1 A 58 58 PHE C C 55 175.225 176.092 -0.867 2
1 627 . 1 1 A 58 58 PHE CA C 55 56.721 56.343 0.378 2
1 628 . 1 1 A 58 58 PHE CB C 55 44.606 43.110 1.496 2
1 631 . 1 1 A 58 58 PHE N N 55 119.380 120.224 -0.844 2
1 632 . 1 1 A 59 59 GLU H H 56 8.828 8.838 -0.010 2
1 633 . 1 1 A 59 59 GLU HA H 56 4.390 4.330 0.060 2
1 638 . 1 1 A 59 59 GLU C C 56 176.868 176.696 0.172 2
1 639 . 1 1 A 59 59 GLU CA C 56 58.849 58.759 0.090 2
1 640 . 1 1 A 59 59 GLU CB C 56 30.977 30.797 0.180 2
1 642 . 1 1 A 59 59 GLU N N 56 119.209 121.407 -2.198 2
1 643 . 1 1 A 60 60 THR H H 57 7.090 7.584 -0.494 2
1 644 . 1 1 A 60 60 THR HA H 57 4.538 4.514 0.024 2
1 649 . 1 1 A 60 60 THR C C 57 173.113 174.889 -1.776 2
1 650 . 1 1 A 60 60 THR CA C 57 58.619 59.459 -0.840 2
1 651 . 1 1 A 60 60 THR CB C 57 72.972 72.665 0.307 2
1 653 . 1 1 A 60 60 THR N N 57 102.317 110.286 -7.969 2
1 654 . 1 1 A 61 61 GLN H H 58 7.590 7.796 -0.206 2
1 655 . 1 1 A 61 61 GLN HA H 58 2.307 3.331 -1.024 2
1 662 . 1 1 A 61 61 GLN C C 58 177.713 177.237 0.476 2
1 663 . 1 1 A 61 61 GLN CA C 58 58.692 58.708 -0.016 2
1 664 . 1 1 A 61 61 GLN CB C 58 27.689 27.593 0.096 2
1 666 . 1 1 A 61 61 GLN N N 58 122.133 120.930 1.203 2
1 668 . 1 1 A 62 62 GLU H H 59 8.587 8.073 0.514 2
1 669 . 1 1 A 62 62 GLU HA H 59 3.673 3.847 -0.174 2
1 674 . 1 1 A 62 62 GLU C C 59 179.337 179.314 0.023 2
1 675 . 1 1 A 62 62 GLU CA C 59 59.847 59.171 0.676 2
1 676 . 1 1 A 62 62 GLU CB C 59 28.578 29.131 -0.553 2
1 678 . 1 1 A 62 62 GLU N N 59 117.069 118.359 -1.290 2
1 679 . 1 1 A 63 63 GLN H H 60 7.671 7.489 0.182 2
1 680 . 1 1 A 63 63 GLN HA H 60 3.812 3.881 -0.069 2
1 687 . 1 1 A 63 63 GLN C C 60 178.339 177.567 0.772 2
1 688 . 1 1 A 63 63 GLN CA C 60 58.411 58.533 -0.122 2
1 689 . 1 1 A 63 63 GLN CB C 60 29.308 28.377 0.931 2
1 691 . 1 1 A 63 63 GLN N N 60 118.959 118.792 0.167 2
1 693 . 1 1 A 64 64 ALA H H 61 6.836 7.458 -0.622 2
1 694 . 1 1 A 64 64 ALA HA H 61 1.982 3.046 -1.064 2
1 698 . 1 1 A 64 64 ALA C C 61 178.151 179.239 -1.088 2
1 699 . 1 1 A 64 64 ALA CA C 61 54.112 54.393 -0.281 2
1 700 . 1 1 A 64 64 ALA CB C 61 18.627 18.120 0.507 2
1 701 . 1 1 A 64 64 ALA N N 61 123.296 122.258 1.038 2
1 702 . 1 1 A 65 65 GLU H H 62 8.014 8.034 -0.020 2
1 703 . 1 1 A 65 65 GLU HA H 62 2.853 3.483 -0.630 2
1 708 . 1 1 A 65 65 GLU C C 62 177.901 178.580 -0.679 2
1 709 . 1 1 A 65 65 GLU CA C 62 60.601 58.924 1.677 2
1 710 . 1 1 A 65 65 GLU CB C 62 30.597 28.687 1.910 2
1 712 . 1 1 A 65 65 GLU N N 62 115.643 116.338 -0.695 2
1 713 . 1 1 A 66 66 ALA H H 63 7.954 7.676 0.278 2
1 714 . 1 1 A 66 66 ALA HA H 63 3.812 4.025 -0.213 2
1 718 . 1 1 A 66 66 ALA C C 63 180.245 179.333 0.912 2
1 719 . 1 1 A 66 66 ALA CA C 63 54.968 54.720 0.248 2
1 720 . 1 1 A 66 66 ALA CB C 63 17.876 17.976 -0.099 2
1 721 . 1 1 A 66 66 ALA N N 63 120.250 121.856 -1.606 2
1 722 . 1 1 A 67 67 TYR H H 64 7.373 7.472 -0.099 2
1 723 . 1 1 A 67 67 TYR HA H 64 3.789 4.050 -0.261 2
1 730 . 1 1 A 67 67 TYR C C 64 176.680 176.631 0.049 2
1 731 . 1 1 A 67 67 TYR CA C 64 61.624 61.647 -0.023 2
1 732 . 1 1 A 67 67 TYR CB C 64 38.947 38.454 0.493 2
1 735 . 1 1 A 67 67 TYR N N 64 119.523 119.817 -0.294 2
1 736 . 1 1 A 68 68 ALA H H 65 7.653 7.765 -0.112 2
1 737 . 1 1 A 68 68 ALA HA H 65 3.608 3.789 -0.181 2
1 741 . 1 1 A 68 68 ALA C C 65 179.650 179.840 -0.190 2
1 742 . 1 1 A 68 68 ALA CA C 65 55.407 55.184 0.223 2
1 743 . 1 1 A 68 68 ALA CB C 65 18.001 17.890 0.111 2
1 744 . 1 1 A 68 68 ALA N N 65 120.416 121.492 -1.076 2
1 745 . 1 1 A 69 69 GLN H H 66 8.491 8.157 0.334 2
1 746 . 1 1 A 69 69 GLN HA H 66 4.150 3.961 0.190 2
1 753 . 1 1 A 69 69 GLN C C 66 180.119 178.433 1.686 2
1 754 . 1 1 A 69 69 GLN CA C 66 58.639 58.910 -0.271 2
1 755 . 1 1 A 69 69 GLN CB C 66 28.035 28.447 -0.412 2
1 757 . 1 1 A 69 69 GLN N N 66 115.832 117.188 -1.356 2
1 759 . 1 1 A 70 70 ARG H H 67 7.962 7.731 0.231 2
1 760 . 1 1 A 70 70 ARG HA H 67 3.991 4.003 -0.012 2
1 767 . 1 1 A 70 70 ARG C C 67 178.370 178.049 0.320 2
1 768 . 1 1 A 70 70 ARG CA C 67 58.849 58.969 -0.120 2
1 769 . 1 1 A 70 70 ARG CB C 67 29.735 29.700 0.035 2
1 772 . 1 1 A 70 70 ARG N N 67 120.213 120.288 -0.075 2
1 773 . 1 1 A 71 71 LYS H H 68 7.506 7.228 0.278 2
1 774 . 1 1 A 71 71 LYS HA H 68 4.132 4.179 -0.047 2
1 783 . 1 1 A 71 71 LYS C C 68 176.712 177.003 -0.291 2
1 784 . 1 1 A 71 71 LYS CA C 68 54.781 55.836 -1.055 2
1 785 . 1 1 A 71 71 LYS CB C 68 32.447 32.933 -0.486 2
1 789 . 1 1 A 71 71 LYS N N 68 115.757 115.801 -0.044 2
1 790 . 1 1 A 72 72 GLY H H 69 7.680 7.718 -0.038 2
1 791 . 1 1 A 72 72 GLY HA2 H 69 3.887 3.938 -0.051 2
1 792 . 1 1 A 72 72 GLY HA3 H 69 3.818 3.946 -0.128 2
1 793 . 1 1 A 72 72 GLY C C 69 175.415 174.376 1.039 2
1 794 . 1 1 A 72 72 GLY CA C 69 46.621 45.184 1.437 2
1 795 . 1 1 A 72 72 GLY N N 69 109.542 106.216 3.326 2
1 796 . 1 1 A 73 73 ILE H H 70 8.180 7.403 0.777 2
1 797 . 1 1 A 73 73 ILE HA H 70 3.951 4.004 -0.053 2
1 805 . 1 1 A 73 73 ILE C C 70 175.835 175.804 0.031 2
1 806 . 1 1 A 73 73 ILE CA C 70 60.560 61.206 -0.646 2
1 807 . 1 1 A 73 73 ILE CB C 70 40.035 37.841 2.194 2
1 810 . 1 1 A 73 73 ILE N N 70 121.234 122.951 -1.718 2
1 811 . 1 1 A 74 74 GLU H H 71 8.428 8.463 -0.035 2
1 812 . 1 1 A 74 74 GLU HA H 71 4.289 4.281 0.008 2
1 817 . 1 1 A 74 74 GLU C C 71 175.460 176.362 -0.902 2
1 818 . 1 1 A 74 74 GLU CA C 71 56.533 56.850 -0.317 2
1 819 . 1 1 A 74 74 GLU CB C 71 29.683 29.907 -0.224 2
1 821 . 1 1 A 74 74 GLU N N 71 129.096 127.955 1.141 2
1 822 . 1 1 A 75 75 TYR H H 72 8.004 8.619 -0.615 2
1 823 . 1 1 A 75 75 TYR HA H 72 5.805 5.809 -0.004 2
1 830 . 1 1 A 75 75 TYR C C 72 173.332 172.535 0.797 2
1 831 . 1 1 A 75 75 TYR CA C 72 55.323 55.646 -0.323 2
1 832 . 1 1 A 75 75 TYR CB C 72 42.290 42.094 0.196 2
1 835 . 1 1 A 75 75 TYR N N 72 120.850 118.005 2.845 2
1 836 . 1 1 A 76 76 ARG H H 73 7.936 8.882 -0.946 2
1 837 . 1 1 A 76 76 ARG HA H 73 4.656 4.982 -0.326 2
1 844 . 1 1 A 76 76 ARG C C 73 174.302 175.145 -0.843 2
1 845 . 1 1 A 76 76 ARG CA C 73 53.883 54.580 -0.697 2
1 846 . 1 1 A 76 76 ARG CB C 73 32.856 33.257 -0.401 2
1 849 . 1 1 A 76 76 ARG N N 73 117.640 121.094 -3.454 2
1 850 . 1 1 A 77 77 VAL H H 74 8.859 8.884 -0.025 2
1 851 . 1 1 A 77 77 VAL HA H 74 4.885 4.926 -0.041 2
1 859 . 1 1 A 77 77 VAL C C 74 176.023 175.281 0.742 2
1 860 . 1 1 A 77 77 VAL CA C 74 61.540 61.721 -0.181 2
1 861 . 1 1 A 77 77 VAL CB C 74 32.377 32.964 -0.587 2
1 864 . 1 1 A 77 77 VAL N N 74 124.091 124.150 -0.059 2
1 865 . 1 1 A 78 78 ILE H H 75 9.282 9.547 -0.265 2
1 866 . 1 1 A 78 78 ILE HA H 75 4.297 4.869 -0.572 2
1 876 . 1 1 A 78 78 ILE C C 75 175.178 175.638 -0.460 2
1 877 . 1 1 A 78 78 ILE CA C 75 59.850 59.894 -0.044 2
1 878 . 1 1 A 78 78 ILE CB C 75 37.546 40.416 -2.870 2
1 882 . 1 1 A 78 78 ILE N N 75 130.317 127.489 2.828 2
1 883 . 1 1 A 79 79 LEU H H 76 8.428 8.828 -0.400 2
1 884 . 1 1 A 79 79 LEU HA H 76 4.747 4.731 0.016 2
1 894 . 1 1 A 79 79 LEU CA C 76 52.672 53.681 -1.009 2
1 895 . 1 1 A 79 79 LEU CB C 76 41.865 41.427 0.438 2
1 899 . 1 1 A 79 79 LEU N N 76 128.194 128.752 -0.558 2
1 900 . 1 1 A 80 80 PRO HA H 77 4.402 4.542 -0.140 2
1 907 . 1 1 A 80 80 PRO C C 77 177.087 177.179 -0.092 2
1 908 . 1 1 A 80 80 PRO CA C 77 63.104 62.174 0.930 2
1 909 . 1 1 A 80 80 PRO CB C 77 32.145 32.849 -0.703 2
1 912 . 1 1 A 81 81 LYS H H 78 8.373 8.541 -0.169 2
1 913 . 1 1 A 81 81 LYS HA H 78 4.205 4.008 0.197 2
1 922 . 1 1 A 81 81 LYS C C 78 174.200 177.263 -3.063 2
1 923 . 1 1 A 81 81 LYS CA C 78 57.050 58.428 -1.378 2
1 924 . 1 1 A 81 81 LYS CB C 78 32.750 31.721 1.029 2
1 928 . 1 1 A 81 81 LYS N N 78 121.644 121.154 0.490 2
1 929 . 1 1 A 82 82 GLU H H 79 8.452 8.181 0.271 2
1 930 . 1 1 A 82 82 GLU HA H 79 4.216 4.380 -0.164 2
1 935 . 1 1 A 82 82 GLU C C 79 176.336 177.029 -0.693 2
1 936 . 1 1 A 82 82 GLU CA C 79 56.533 56.979 -0.446 2
1 937 . 1 1 A 82 82 GLU CB C 79 29.996 29.759 0.237 2
1 939 . 1 1 A 82 82 GLU N N 79 121.461 117.758 3.702 2
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