data_10289_sparta
save_entry_information
_Entry.Sf_category entry_information
_Entry.Sf_framecode entry_information
_Entry.ID 10289
_Entry.PDB_ID 2DA7
_Entry.NMR_STAR_version 3.0.9.100
save_
save_delta_chem_shifts_single
_Entity_delta_chem_shifts.Sf_category delta_chem_shifts
_Entity_delta_chem_shifts.Sf_framecode delta_chem_shifts_single
_Entity_delta_chem_shifts.Conformer_type "single"
_Entity_delta_chem_shifts.Conformer_count 20
_Entity_delta_chem_shifts.Best_conformer 1
_Entity_delta_chem_shifts.ID 1
loop_
_Delta_CS.Assigned_chem_shift_list_ID
_Delta_CS.Atom_chem_shift_ID
_Delta_CS.Assembly_atom_ID
_Delta_CS.Conformer_ID
_Delta_CS.Entity_assembly_ID
_Delta_CS.Entity_ID
_Delta_CS.PDB_asym_ID
_Delta_CS.Comp_index_ID
_Delta_CS.Seq_ID
_Delta_CS.Comp_ID
_Delta_CS.Atom_ID
_Delta_CS.Atom_type
_Delta_CS.Auth_seq_ID
_Delta_CS.Original_CS_value
_Delta_CS.Sparta_CS_value
_Delta_CS.Delta_CS_value
_Delta_CS.Entity_delta_chem_shifts_ID
1 1 . 1 1 1 A 7 7 GLY HA2 H 7 3.980 3.982 -0.002 1
1 2 . 1 1 1 A 7 7 GLY HA3 H 7 3.980 3.983 -0.003 1
1 3 . 1 1 1 A 7 7 GLY C C 7 173.809 171.734 2.075 1
1 4 . 1 1 1 A 7 7 GLY CA C 7 45.148 45.837 -0.689 1
1 5 . 1 1 1 A 8 8 SER H H 8 8.167 8.457 -0.290 1
1 6 . 1 1 1 A 8 8 SER C C 8 172.741 172.336 0.405 1
1 7 . 1 1 1 A 8 8 SER CA C 8 56.432 55.985 0.447 1
1 8 . 1 1 1 A 8 8 SER CB C 8 63.397 63.656 -0.259 1
1 9 . 1 1 1 A 8 8 SER N N 8 116.986 117.851 -0.865 1
1 10 . 1 1 1 A 9 9 PRO HA H 9 4.471 4.610 -0.139 1
1 17 . 1 1 1 A 9 9 PRO C C 9 176.771 175.269 1.502 1
1 18 . 1 1 1 A 9 9 PRO CA C 9 63.244 62.232 1.012 1
1 19 . 1 1 1 A 9 9 PRO CB C 9 32.121 32.981 -0.860 1
1 22 . 1 1 1 A 10 10 ILE H H 10 8.173 8.407 -0.234 1
1 23 . 1 1 1 A 10 10 ILE HA H 10 4.084 4.801 -0.717 1
1 33 . 1 1 1 A 10 10 ILE C C 10 175.703 174.871 0.832 1
1 34 . 1 1 1 A 10 10 ILE CA C 10 61.051 59.455 1.596 1
1 35 . 1 1 1 A 10 10 ILE CB C 10 38.806 40.784 -1.978 1
1 39 . 1 1 1 A 10 10 ILE N N 10 120.782 120.852 -0.070 1
1 40 . 1 1 1 A 11 11 ASN H H 11 8.538 8.599 -0.061 1
1 41 . 1 1 1 A 11 11 ASN HA H 11 4.992 5.130 -0.138 1
1 46 . 1 1 1 A 11 11 ASN C C 11 173.785 175.050 -1.265 1
1 47 . 1 1 1 A 11 11 ASN CA C 11 50.794 49.459 1.335 1
1 48 . 1 1 1 A 11 11 ASN CB C 11 39.063 40.025 -0.962 1
1 49 . 1 1 1 A 11 11 ASN N N 11 123.456 125.394 -1.938 1
1 51 . 1 1 1 A 12 12 PRO HA H 12 4.328 4.393 -0.065 1
1 58 . 1 1 1 A 12 12 PRO C C 12 176.674 178.274 -1.600 1
1 59 . 1 1 1 A 12 12 PRO CA C 12 63.616 65.220 -1.604 1
1 60 . 1 1 1 A 12 12 PRO CB C 12 31.997 31.896 0.101 1
1 63 . 1 1 1 A 13 13 TYR H H 13 7.994 7.947 0.047 1
1 64 . 1 1 1 A 13 13 TYR HA H 13 4.574 4.536 0.038 1
1 71 . 1 1 1 A 13 13 TYR C C 13 176.237 177.499 -1.262 1
1 72 . 1 1 1 A 13 13 TYR CA C 13 57.866 60.446 -2.580 1
1 73 . 1 1 1 A 13 13 TYR CB C 13 38.013 38.574 -0.561 1
1 78 . 1 1 1 A 13 13 TYR N N 13 118.352 116.098 2.254 1
1 79 . 1 1 1 A 14 14 LYS H H 14 7.727 6.694 1.033 1
1 80 . 1 1 1 A 14 14 LYS HA H 14 4.131 3.937 0.194 1
1 88 . 1 1 1 A 14 14 LYS C C 14 176.626 178.299 -1.673 1
1 89 . 1 1 1 A 14 14 LYS CA C 14 57.704 59.326 -1.622 1
1 90 . 1 1 1 A 14 14 LYS CB C 14 33.154 31.793 1.361 1
1 94 . 1 1 1 A 14 14 LYS N N 14 121.585 121.556 0.029 1
1 95 . 1 1 1 A 15 15 ASP H H 15 8.374 8.273 0.101 1
1 96 . 1 1 1 A 15 15 ASP HA H 15 4.620 4.150 0.470 1
1 99 . 1 1 1 A 15 15 ASP C C 15 174.125 178.665 -4.540 1
1 100 . 1 1 1 A 15 15 ASP CA C 15 54.763 57.575 -2.812 1
1 101 . 1 1 1 A 15 15 ASP CB C 15 40.533 40.282 0.251 1
1 102 . 1 1 1 A 15 15 ASP N N 15 119.870 119.039 0.831 1
1 103 . 1 1 1 A 16 16 HIS H H 16 8.034 8.759 -0.725 1
1 104 . 1 1 1 A 16 16 HIS HA H 16 4.419 4.288 0.131 1
1 109 . 1 1 1 A 16 16 HIS CA C 16 58.742 58.990 -0.248 1
1 110 . 1 1 1 A 16 16 HIS CB C 16 30.675 28.632 2.043 1
1 113 . 1 1 1 A 16 16 HIS N N 16 124.264 116.977 7.287 1
1 114 . 1 1 1 A 17 17 MET H H 17 8.049 8.163 -0.114 1
1 115 . 1 1 1 A 17 17 MET HA H 17 4.160 3.725 0.435 1
1 123 . 1 1 1 A 17 17 MET CA C 17 57.275 57.936 -0.661 1
1 124 . 1 1 1 A 17 17 MET CB C 17 31.055 32.963 -1.908 1
1 127 . 1 1 1 A 17 17 MET N N 17 117.829 119.315 -1.486 1
1 128 . 1 1 1 A 18 18 SER HA H 18 4.134 4.043 0.091 1
1 131 . 1 1 1 A 18 18 SER C C 18 176.941 176.271 0.670 1
1 132 . 1 1 1 A 18 18 SER CA C 18 61.889 62.279 -0.390 1
1 133 . 1 1 1 A 18 18 SER CB C 18 62.424 62.488 -0.064 1
1 134 . 1 1 1 A 19 19 VAL H H 19 7.568 8.074 -0.506 1
1 135 . 1 1 1 A 19 19 VAL HA H 19 3.809 3.481 0.328 1
1 143 . 1 1 1 A 19 19 VAL C C 19 177.913 177.540 0.373 1
1 144 . 1 1 1 A 19 19 VAL CA C 19 65.637 65.506 0.131 1
1 145 . 1 1 1 A 19 19 VAL CB C 19 31.737 31.436 0.301 1
1 148 . 1 1 1 A 19 19 VAL N N 19 122.341 120.314 2.027 1
1 149 . 1 1 1 A 20 20 LEU H H 20 7.788 7.808 -0.020 1
1 150 . 1 1 1 A 20 20 LEU HA H 20 3.940 4.087 -0.147 1
1 160 . 1 1 1 A 20 20 LEU C C 20 178.520 179.313 -0.793 1
1 161 . 1 1 1 A 20 20 LEU CA C 20 58.336 57.884 0.452 1
1 162 . 1 1 1 A 20 20 LEU CB C 20 39.138 41.025 -1.887 1
1 166 . 1 1 1 A 20 20 LEU N N 20 120.156 121.525 -1.369 1
1 167 . 1 1 1 A 21 21 LYS H H 21 8.067 7.830 0.237 1
1 168 . 1 1 1 A 21 21 LYS HA H 21 4.047 4.393 -0.346 1
1 175 . 1 1 1 A 21 21 LYS C C 21 179.102 179.188 -0.086 1
1 176 . 1 1 1 A 21 21 LYS CA C 21 60.667 59.168 1.499 1
1 177 . 1 1 1 A 21 21 LYS CB C 21 32.519 31.863 0.656 1
1 181 . 1 1 1 A 21 21 LYS N N 21 117.374 117.748 -0.374 1
1 182 . 1 1 1 A 22 22 ALA H H 22 7.718 8.162 -0.444 1
1 183 . 1 1 1 A 22 22 ALA HA H 22 4.217 4.115 0.102 1
1 187 . 1 1 1 A 22 22 ALA C C 22 180.486 179.230 1.256 1
1 188 . 1 1 1 A 22 22 ALA CA C 22 54.954 54.886 0.068 1
1 189 . 1 1 1 A 22 22 ALA CB C 22 17.934 18.115 -0.181 1
1 190 . 1 1 1 A 22 22 ALA N N 22 122.528 122.290 0.238 1
1 191 . 1 1 1 A 23 23 TYR H H 23 8.036 7.333 0.703 1
1 192 . 1 1 1 A 23 23 TYR HA H 23 4.291 4.386 -0.095 1
1 199 . 1 1 1 A 23 23 TYR C C 23 178.860 178.636 0.224 1
1 200 . 1 1 1 A 23 23 TYR CA C 23 62.616 61.346 1.270 1
1 201 . 1 1 1 A 23 23 TYR CB C 23 38.455 38.129 0.326 1
1 206 . 1 1 1 A 23 23 TYR N N 23 117.835 116.181 1.654 1
1 207 . 1 1 1 A 24 24 TYR H H 24 8.856 8.358 0.498 1
1 208 . 1 1 1 A 24 24 TYR HA H 24 4.420 4.919 -0.499 1
1 215 . 1 1 1 A 24 24 TYR C C 24 175.484 177.351 -1.867 1
1 216 . 1 1 1 A 24 24 TYR CA C 24 61.291 62.171 -0.880 1
1 217 . 1 1 1 A 24 24 TYR CB C 24 38.629 38.785 -0.156 1
1 222 . 1 1 1 A 24 24 TYR N N 24 122.534 120.843 1.691 1
1 223 . 1 1 1 A 25 25 ALA H H 25 7.616 8.281 -0.665 1
1 224 . 1 1 1 A 25 25 ALA HA H 25 4.084 4.175 -0.091 1
1 228 . 1 1 1 A 25 25 ALA C C 25 179.224 179.882 -0.658 1
1 229 . 1 1 1 A 25 25 ALA CA C 25 53.893 55.347 -1.454 1
1 230 . 1 1 1 A 25 25 ALA CB C 25 18.433 18.456 -0.023 1
1 231 . 1 1 1 A 25 25 ALA N N 25 116.147 121.654 -5.507 1
1 232 . 1 1 1 A 26 26 MET H H 26 7.379 7.601 -0.222 1
1 233 . 1 1 1 A 26 26 MET HA H 26 4.353 4.565 -0.212 1
1 241 . 1 1 1 A 26 26 MET C C 26 176.529 176.510 0.019 1
1 242 . 1 1 1 A 26 26 MET CA C 26 56.724 57.757 -1.033 1
1 243 . 1 1 1 A 26 26 MET CB C 26 33.645 34.241 -0.596 1
1 246 . 1 1 1 A 26 26 MET N N 26 114.990 115.150 -0.160 1
1 247 . 1 1 1 A 27 27 ASN H H 27 7.865 8.101 -0.236 1
1 248 . 1 1 1 A 27 27 ASN HA H 27 4.562 5.099 -0.537 1
1 253 . 1 1 1 A 27 27 ASN C C 27 173.323 175.193 -1.870 1
1 254 . 1 1 1 A 27 27 ASN CA C 27 53.143 51.617 1.526 1
1 255 . 1 1 1 A 27 27 ASN CB C 27 38.096 40.221 -2.125 1
1 256 . 1 1 1 A 27 27 ASN N N 27 117.385 115.001 2.384 1
1 258 . 1 1 1 A 28 28 MET H H 28 8.400 8.327 0.073 1
1 259 . 1 1 1 A 28 28 MET HA H 28 4.064 4.004 0.060 1
1 267 . 1 1 1 A 28 28 MET C C 28 175.557 176.251 -0.694 1
1 268 . 1 1 1 A 28 28 MET CA C 28 57.419 57.980 -0.561 1
1 269 . 1 1 1 A 28 28 MET CB C 28 33.795 34.019 -0.224 1
1 272 . 1 1 1 A 28 28 MET N N 28 121.660 121.983 -0.323 1
1 273 . 1 1 1 A 29 29 GLU H H 29 7.821 7.993 -0.172 1
1 274 . 1 1 1 A 29 29 GLU HA H 29 4.757 4.601 0.156 1
1 279 . 1 1 1 A 29 29 GLU C C 29 172.328 173.401 -1.073 1
1 280 . 1 1 1 A 29 29 GLU CA C 29 53.293 53.123 0.170 1
1 281 . 1 1 1 A 29 29 GLU CB C 29 30.761 30.263 0.498 1
1 283 . 1 1 1 A 29 29 GLU N N 29 116.541 118.294 -1.753 1
1 284 . 1 1 1 A 30 30 PRO HA H 30 4.475 4.430 0.045 1
1 291 . 1 1 1 A 30 30 PRO C C 30 177.014 176.143 0.871 1
1 292 . 1 1 1 A 30 30 PRO CA C 30 62.603 62.252 0.351 1
1 293 . 1 1 1 A 30 30 PRO CB C 30 31.915 32.383 -0.468 1
1 296 . 1 1 1 A 31 31 ASN H H 31 8.909 8.262 0.647 1
1 297 . 1 1 1 A 31 31 ASN HA H 31 4.673 4.929 -0.256 1
1 302 . 1 1 1 A 31 31 ASN C C 31 175.460 176.779 -1.319 1
1 303 . 1 1 1 A 31 31 ASN CA C 31 51.303 51.517 -0.214 1
1 304 . 1 1 1 A 31 31 ASN CB C 31 38.261 40.477 -2.216 1
1 305 . 1 1 1 A 31 31 ASN N N 31 120.499 119.121 1.378 1
1 307 . 1 1 1 A 32 32 SER H H 32 8.486 9.041 -0.555 1
1 308 . 1 1 1 A 32 32 SER HA H 32 4.024 4.031 -0.007 1
1 311 . 1 1 1 A 32 32 SER C C 32 176.650 176.215 0.435 1
1 312 . 1 1 1 A 32 32 SER CA C 32 62.621 61.868 0.753 1
1 313 . 1 1 1 A 32 32 SER CB C 32 62.675 62.739 -0.064 1
1 314 . 1 1 1 A 32 32 SER N N 32 112.460 116.595 -4.135 1
1 315 . 1 1 1 A 33 33 ASP H H 33 7.935 8.209 -0.274 1
1 316 . 1 1 1 A 33 33 ASP HA H 33 4.441 4.282 0.159 1
1 319 . 1 1 1 A 33 33 ASP C C 33 178.811 179.059 -0.248 1
1 320 . 1 1 1 A 33 33 ASP CA C 33 57.456 57.462 -0.006 1
1 321 . 1 1 1 A 33 33 ASP CB C 33 40.870 40.191 0.679 1
1 322 . 1 1 1 A 33 33 ASP N N 33 122.575 122.534 0.041 1
1 323 . 1 1 1 A 34 34 GLU H H 34 8.442 7.988 0.454 1
1 324 . 1 1 1 A 34 34 GLU HA H 34 3.898 3.917 -0.019 1
1 329 . 1 1 1 A 34 34 GLU C C 34 179.127 178.972 0.155 1
1 330 . 1 1 1 A 34 34 GLU CA C 34 59.041 59.038 0.003 1
1 331 . 1 1 1 A 34 34 GLU CB C 34 29.854 29.498 0.356 1
1 333 . 1 1 1 A 34 34 GLU N N 34 121.743 119.580 2.163 1
1 334 . 1 1 1 A 35 35 LEU H H 35 8.723 8.022 0.701 1
1 335 . 1 1 1 A 35 35 LEU HA H 35 3.735 3.719 0.016 1
1 345 . 1 1 1 A 35 35 LEU C C 35 179.321 178.592 0.729 1
1 346 . 1 1 1 A 35 35 LEU CA C 35 58.118 57.866 0.252 1
1 347 . 1 1 1 A 35 35 LEU CB C 35 42.428 41.534 0.894 1
1 351 . 1 1 1 A 35 35 LEU N N 35 119.674 120.854 -1.180 1
1 352 . 1 1 1 A 36 36 LEU H H 36 7.651 7.978 -0.327 1
1 353 . 1 1 1 A 36 36 LEU HA H 36 4.039 3.916 0.123 1
1 363 . 1 1 1 A 36 36 LEU C C 36 178.908 178.498 0.410 1
1 364 . 1 1 1 A 36 36 LEU CA C 36 58.414 58.779 -0.365 1
1 365 . 1 1 1 A 36 36 LEU CB C 36 41.040 41.959 -0.919 1
1 369 . 1 1 1 A 36 36 LEU N N 36 121.058 119.818 1.240 1
1 370 . 1 1 1 A 37 37 LYS H H 37 7.704 7.607 0.097 1
1 371 . 1 1 1 A 37 37 LYS HA H 37 3.874 3.930 -0.056 1
1 379 . 1 1 1 A 37 37 LYS C C 37 180.025 179.163 0.862 1
1 380 . 1 1 1 A 37 37 LYS CA C 37 60.345 59.389 0.956 1
1 381 . 1 1 1 A 37 37 LYS CB C 37 32.327 32.357 -0.030 1
1 385 . 1 1 1 A 37 37 LYS N N 37 119.032 117.755 1.277 1
1 386 . 1 1 1 A 38 38 ILE H H 38 8.413 8.415 -0.002 1
1 387 . 1 1 1 A 38 38 ILE HA H 38 3.296 3.595 -0.299 1
1 397 . 1 1 1 A 38 38 ILE C C 38 177.063 177.927 -0.864 1
1 398 . 1 1 1 A 38 38 ILE CA C 38 65.479 65.213 0.266 1
1 399 . 1 1 1 A 38 38 ILE CB C 38 38.384 37.676 0.708 1
1 403 . 1 1 1 A 38 38 ILE N N 38 120.466 121.290 -0.824 1
1 404 . 1 1 1 A 39 39 SER H H 39 8.183 8.068 0.115 1
1 405 . 1 1 1 A 39 39 SER HA H 39 4.047 4.366 -0.319 1
1 408 . 1 1 1 A 39 39 SER C C 39 176.359 177.460 -1.101 1
1 409 . 1 1 1 A 39 39 SER CA C 39 62.620 60.929 1.691 1
1 410 . 1 1 1 A 39 39 SER CB C 39 62.548 62.870 -0.322 1
1 411 . 1 1 1 A 39 39 SER N N 39 115.371 113.793 1.578 1
1 412 . 1 1 1 A 40 40 ILE H H 40 7.983 8.080 -0.097 1
1 413 . 1 1 1 A 40 40 ILE HA H 40 3.785 3.800 -0.015 1
1 423 . 1 1 1 A 40 40 ILE C C 40 178.714 178.062 0.652 1
1 424 . 1 1 1 A 40 40 ILE CA C 40 64.307 65.008 -0.701 1
1 425 . 1 1 1 A 40 40 ILE CB C 40 38.440 37.992 0.448 1
1 429 . 1 1 1 A 40 40 ILE N N 40 121.913 122.025 -0.112 1
1 430 . 1 1 1 A 41 41 ALA H H 41 7.886 8.844 -0.958 1
1 431 . 1 1 1 A 41 41 ALA HA H 41 4.157 4.054 0.103 1
1 435 . 1 1 1 A 41 41 ALA C C 41 180.147 179.432 0.715 1
1 436 . 1 1 1 A 41 41 ALA CA C 41 55.268 55.193 0.075 1
1 437 . 1 1 1 A 41 41 ALA CB C 41 18.646 18.694 -0.048 1
1 438 . 1 1 1 A 41 41 ALA N N 41 122.775 122.046 0.729 1
1 439 . 1 1 1 A 42 42 VAL H H 42 8.268 7.662 0.606 1
1 440 . 1 1 1 A 42 42 VAL HA H 42 4.352 4.262 0.090 1
1 448 . 1 1 1 A 42 42 VAL C C 42 175.849 177.153 -1.304 1
1 449 . 1 1 1 A 42 42 VAL CA C 42 61.352 63.029 -1.677 1
1 450 . 1 1 1 A 42 42 VAL CB C 42 32.632 33.593 -0.961 1
1 453 . 1 1 1 A 42 42 VAL N N 42 108.944 110.486 -1.542 1
1 454 . 1 1 1 A 43 43 GLY H H 43 7.837 8.125 -0.288 1
1 455 . 1 1 1 A 43 43 GLY HA2 H 43 3.937 3.976 -0.039 1
1 456 . 1 1 1 A 43 43 GLY HA3 H 43 3.852 3.981 -0.129 1
1 457 . 1 1 1 A 43 43 GLY C C 43 174.392 174.049 0.343 1
1 458 . 1 1 1 A 43 43 GLY CA C 43 46.770 44.948 1.822 1
1 459 . 1 1 1 A 43 43 GLY N N 43 110.644 111.868 -1.224 1
1 460 . 1 1 1 A 44 44 LEU H H 44 7.483 7.647 -0.164 1
1 461 . 1 1 1 A 44 44 LEU HA H 44 4.833 4.616 0.217 1
1 471 . 1 1 1 A 44 44 LEU C C 44 173.348 174.774 -1.426 1
1 472 . 1 1 1 A 44 44 LEU CA C 44 51.178 52.703 -1.525 1
1 473 . 1 1 1 A 44 44 LEU CB C 44 45.096 41.340 3.756 1
1 477 . 1 1 1 A 44 44 LEU N N 44 118.486 122.110 -3.624 1
1 478 . 1 1 1 A 45 45 PRO HA H 45 4.447 4.724 -0.277 1
1 485 . 1 1 1 A 45 45 PRO C C 45 178.301 177.884 0.417 1
1 486 . 1 1 1 A 45 45 PRO CA C 45 62.740 63.062 -0.322 1
1 487 . 1 1 1 A 45 45 PRO CB C 45 32.626 31.724 0.902 1
1 490 . 1 1 1 A 46 46 GLN H H 46 9.200 8.980 0.220 1
1 491 . 1 1 1 A 46 46 GLN HA H 46 4.007 4.036 -0.029 1
1 498 . 1 1 1 A 46 46 GLN C C 46 177.718 177.884 -0.166 1
1 499 . 1 1 1 A 46 46 GLN CA C 46 60.099 59.281 0.818 1
1 500 . 1 1 1 A 46 46 GLN CB C 46 28.371 28.714 -0.343 1
1 502 . 1 1 1 A 46 46 GLN N N 46 125.692 124.748 0.944 1
1 504 . 1 1 1 A 47 47 GLU H H 47 9.618 8.649 0.969 1
1 505 . 1 1 1 A 47 47 GLU HA H 47 4.036 4.105 -0.069 1
1 510 . 1 1 1 A 47 47 GLU C C 47 178.860 179.004 -0.144 1
1 511 . 1 1 1 A 47 47 GLU CA C 47 60.029 59.568 0.461 1
1 512 . 1 1 1 A 47 47 GLU CB C 47 28.746 29.706 -0.960 1
1 514 . 1 1 1 A 47 47 GLU N N 47 117.907 118.932 -1.025 1
1 515 . 1 1 1 A 48 48 PHE H H 48 7.194 8.230 -1.036 1
1 516 . 1 1 1 A 48 48 PHE HA H 48 4.385 4.281 0.104 1
1 524 . 1 1 1 A 48 48 PHE C C 48 177.524 177.465 0.059 1
1 525 . 1 1 1 A 48 48 PHE CA C 48 60.699 61.274 -0.575 1
1 526 . 1 1 1 A 48 48 PHE CB C 48 39.190 39.038 0.152 1
1 532 . 1 1 1 A 48 48 PHE N N 48 119.141 121.193 -2.052 1
1 533 . 1 1 1 A 49 49 VAL H H 49 7.761 8.291 -0.530 1
1 534 . 1 1 1 A 49 49 VAL HA H 49 3.509 3.731 -0.222 1
1 542 . 1 1 1 A 49 49 VAL C C 49 177.306 177.935 -0.629 1
1 543 . 1 1 1 A 49 49 VAL CA C 49 67.242 66.754 0.488 1
1 544 . 1 1 1 A 49 49 VAL CB C 49 31.844 31.658 0.186 1
1 547 . 1 1 1 A 49 49 VAL N N 49 120.478 119.639 0.839 1
1 548 . 1 1 1 A 50 50 LYS H H 50 8.751 8.378 0.373 1
1 549 . 1 1 1 A 50 50 LYS HA H 50 4.023 4.040 -0.017 1
1 557 . 1 1 1 A 50 50 LYS C C 50 178.593 178.997 -0.404 1
1 558 . 1 1 1 A 50 50 LYS CA C 50 60.274 59.906 0.368 1
1 559 . 1 1 1 A 50 50 LYS CB C 50 32.821 32.644 0.177 1
1 563 . 1 1 1 A 50 50 LYS N N 50 119.513 120.240 -0.727 1
1 564 . 1 1 1 A 51 51 GLU H H 51 7.636 7.844 -0.208 1
1 565 . 1 1 1 A 51 51 GLU HA H 51 4.110 4.060 0.050 1
1 570 . 1 1 1 A 51 51 GLU C C 51 177.791 178.945 -1.154 1
1 571 . 1 1 1 A 51 51 GLU CA C 51 59.253 59.511 -0.258 1
1 572 . 1 1 1 A 51 51 GLU CB C 51 29.442 29.469 -0.027 1
1 574 . 1 1 1 A 51 51 GLU N N 51 118.681 117.490 1.191 1
1 575 . 1 1 1 A 52 52 TRP H H 52 8.396 7.810 0.586 1
1 576 . 1 1 1 A 52 52 TRP HA H 52 3.794 4.271 -0.477 1
1 585 . 1 1 1 A 52 52 TRP C C 52 179.709 178.521 1.188 1
1 586 . 1 1 1 A 52 52 TRP CA C 52 62.688 60.726 1.962 1
1 587 . 1 1 1 A 52 52 TRP CB C 52 28.806 29.187 -0.381 1
1 593 . 1 1 1 A 52 52 TRP N N 52 121.740 122.111 -0.371 1
1 595 . 1 1 1 A 53 53 PHE H H 53 8.602 8.330 0.272 1
1 596 . 1 1 1 A 53 53 PHE HA H 53 3.899 4.265 -0.366 1
1 604 . 1 1 1 A 53 53 PHE C C 53 179.297 178.292 1.005 1
1 605 . 1 1 1 A 53 53 PHE CA C 53 63.414 61.833 1.581 1
1 606 . 1 1 1 A 53 53 PHE CB C 53 39.480 38.682 0.798 1
1 612 . 1 1 1 A 53 53 PHE N N 53 117.648 117.896 -0.248 1
1 613 . 1 1 1 A 54 54 GLU H H 54 8.372 8.245 0.127 1
1 614 . 1 1 1 A 54 54 GLU HA H 54 4.070 3.859 0.211 1
1 619 . 1 1 1 A 54 54 GLU C C 54 179.540 179.156 0.384 1
1 620 . 1 1 1 A 54 54 GLU CA C 54 59.676 60.083 -0.407 1
1 621 . 1 1 1 A 54 54 GLU CB C 54 29.448 29.277 0.171 1
1 623 . 1 1 1 A 54 54 GLU N N 54 120.198 119.200 0.998 1
1 624 . 1 1 1 A 55 55 GLN H H 55 8.275 8.343 -0.068 1
1 625 . 1 1 1 A 55 55 GLN HA H 55 3.975 3.683 0.292 1
1 632 . 1 1 1 A 55 55 GLN C C 55 177.913 178.437 -0.524 1
1 633 . 1 1 1 A 55 55 GLN CA C 55 57.773 59.049 -1.276 1
1 634 . 1 1 1 A 55 55 GLN CB C 55 28.075 27.814 0.261 1
1 636 . 1 1 1 A 55 55 GLN N N 55 117.674 118.903 -1.229 1
1 638 . 1 1 1 A 56 56 ARG H H 56 7.413 7.387 0.026 1
1 639 . 1 1 1 A 56 56 ARG HA H 56 3.727 3.850 -0.123 1
1 646 . 1 1 1 A 56 56 ARG C C 56 177.670 178.960 -1.290 1
1 647 . 1 1 1 A 56 56 ARG CA C 56 57.278 59.650 -2.372 1
1 648 . 1 1 1 A 56 56 ARG CB C 56 29.564 29.659 -0.095 1
1 651 . 1 1 1 A 56 56 ARG N N 56 119.111 119.457 -0.346 1
1 652 . 1 1 1 A 57 57 LYS H H 57 7.468 7.603 -0.135 1
1 653 . 1 1 1 A 57 57 LYS HA H 57 4.215 4.186 0.029 1
1 662 . 1 1 1 A 57 57 LYS C C 57 177.937 179.234 -1.297 1
1 663 . 1 1 1 A 57 57 LYS CA C 57 58.454 59.294 -0.840 1
1 664 . 1 1 1 A 57 57 LYS CB C 57 32.656 32.455 0.201 1
1 668 . 1 1 1 A 57 57 LYS N N 57 118.984 119.467 -0.483 1
1 669 . 1 1 1 A 58 58 VAL H H 58 7.564 7.864 -0.300 1
1 670 . 1 1 1 A 58 58 VAL HA H 58 3.866 3.601 0.265 1
1 678 . 1 1 1 A 58 58 VAL C C 58 177.306 177.154 0.152 1
1 679 . 1 1 1 A 58 58 VAL CA C 58 64.013 66.106 -2.093 1
1 680 . 1 1 1 A 58 58 VAL CB C 58 32.128 31.373 0.755 1
1 683 . 1 1 1 A 58 58 VAL N N 58 118.037 120.413 -2.376 1
1 684 . 1 1 1 A 59 59 TYR H H 59 7.871 6.365 1.506 1
1 685 . 1 1 1 A 59 59 TYR HA H 59 4.381 4.214 0.167 1
1 692 . 1 1 1 A 59 59 TYR C C 59 176.577 178.645 -2.068 1
1 693 . 1 1 1 A 59 59 TYR CA C 59 59.112 60.849 -1.737 1
1 694 . 1 1 1 A 59 59 TYR CB C 59 38.382 38.087 0.295 1
1 699 . 1 1 1 A 59 59 TYR N N 59 121.466 118.314 3.152 1
1 700 . 1 1 1 A 60 60 GLN H H 60 8.074 8.522 -0.448 1
1 701 . 1 1 1 A 60 60 GLN HA H 60 4.103 3.993 0.110 1
1 708 . 1 1 1 A 60 60 GLN C C 60 176.334 177.798 -1.464 1
1 709 . 1 1 1 A 60 60 GLN CA C 60 56.820 58.832 -2.012 1
1 710 . 1 1 1 A 60 60 GLN CB C 60 29.003 28.226 0.777 1
1 712 . 1 1 1 A 60 60 GLN N N 60 120.517 118.407 2.110 1
1 714 . 1 1 1 A 61 61 TYR H H 61 8.001 7.984 0.017 1
1 715 . 1 1 1 A 61 61 TYR HA H 61 4.544 4.410 0.134 1
1 722 . 1 1 1 A 61 61 TYR C C 61 176.456 175.721 0.735 1
1 723 . 1 1 1 A 61 61 TYR CA C 61 58.442 59.596 -1.154 1
1 724 . 1 1 1 A 61 61 TYR CB C 61 38.408 39.562 -1.154 1
1 729 . 1 1 1 A 61 61 TYR N N 61 119.641 116.361 3.280 1
1 730 . 1 1 1 A 62 62 SER H H 62 8.071 7.805 0.266 1
1 731 . 1 1 1 A 62 62 SER HA H 62 4.371 4.519 -0.148 1
1 734 . 1 1 1 A 62 62 SER C C 62 174.440 174.724 -0.284 1
1 735 . 1 1 1 A 62 62 SER CA C 62 58.830 57.583 1.247 1
1 736 . 1 1 1 A 62 62 SER CB C 62 63.806 64.449 -0.643 1
1 737 . 1 1 1 A 62 62 SER N N 62 116.272 115.107 1.165 1
1 738 . 1 1 1 A 63 63 ASN HA H 63 4.737 4.718 0.019 1
1 743 . 1 1 1 A 63 63 ASN CA C 63 50.823 53.849 -3.026 1
1 744 . 1 1 1 A 63 63 ASN CB C 63 38.920 38.690 0.230 1
1 746 . 1 1 1 A 64 64 SER HA H 64 4.407 4.241 0.166 1
1 749 . 1 1 1 A 64 64 SER C C 64 174.610 176.794 -2.184 1
1 750 . 1 1 1 A 64 64 SER CA C 64 58.794 61.351 -2.557 1
1 751 . 1 1 1 A 64 64 SER CB C 64 63.727 62.691 1.036 1
1 752 . 1 1 1 A 65 65 ARG H H 65 8.263 8.151 0.112 1
1 753 . 1 1 1 A 65 65 ARG HA H 65 4.405 4.034 0.371 1
1 760 . 1 1 1 A 65 65 ARG C C 65 176.310 175.979 0.331 1
1 761 . 1 1 1 A 65 65 ARG CA C 65 56.185 59.256 -3.071 1
1 762 . 1 1 1 A 65 65 ARG CB C 65 30.643 30.012 0.631 1
1 765 . 1 1 1 A 65 65 ARG N N 65 122.520 122.018 0.502 1
1 766 . 1 1 1 A 66 66 SER H H 66 8.253 7.644 0.609 1
1 767 . 1 1 1 A 66 66 SER HA H 66 4.507 4.478 0.029 1
1 770 . 1 1 1 A 66 66 SER C C 66 174.489 174.714 -0.225 1
1 771 . 1 1 1 A 66 66 SER CA C 66 58.320 58.226 0.094 1
1 772 . 1 1 1 A 66 66 SER CB C 66 63.974 63.902 0.072 1
1 773 . 1 1 1 A 66 66 SER N N 66 116.498 111.363 5.135 1
1 774 . 1 1 1 A 67 67 GLY H H 67 8.201 8.531 -0.330 1
1 775 . 1 1 1 A 67 67 GLY HA2 H 67 4.113 3.862 0.251 1
1 776 . 1 1 1 A 67 67 GLY C C 67 171.769 173.391 -1.622 1
1 777 . 1 1 1 A 67 67 GLY CA C 67 44.689 46.272 -1.583 1
1 778 . 1 1 1 A 67 67 GLY N N 67 110.648 109.208 1.440 1
1 781 . 1 1 1 A 69 69 SER HA H 69 4.481 4.348 0.133 1
1 784 . 1 1 1 A 69 69 SER C C 69 174.659 174.008 0.651 1
1 785 . 1 1 1 A 69 69 SER CA C 69 58.371 60.935 -2.564 1
1 786 . 1 1 1 A 69 69 SER CB C 69 63.645 63.488 0.157 1
1 787 . 1 1 1 A 70 70 SER H H 70 8.303 7.927 0.376 1
1 788 . 1 1 1 A 70 70 SER HA H 70 4.473 4.842 -0.369 1
1 791 . 1 1 1 A 70 70 SER C C 70 173.930 173.637 0.293 1
1 792 . 1 1 1 A 70 70 SER CA C 70 58.406 56.677 1.729 1
1 793 . 1 1 1 A 70 70 SER CB C 70 64.057 66.168 -2.111 1
1 794 . 1 1 1 A 70 70 SER N N 70 117.757 111.622 6.135 1
1 1 . 2 1 1 A 7 7 GLY HA2 H 7 3.980 3.987 -0.007 1
1 2 . 2 1 1 A 7 7 GLY HA3 H 7 3.980 3.991 -0.011 1
1 3 . 2 1 1 A 7 7 GLY C C 7 173.809 175.112 -1.303 1
1 4 . 2 1 1 A 7 7 GLY CA C 7 45.148 46.603 -1.455 1
1 5 . 2 1 1 A 8 8 SER H H 8 8.167 8.028 0.139 1
1 6 . 2 1 1 A 8 8 SER C C 8 172.741 175.068 -2.327 1
1 7 . 2 1 1 A 8 8 SER CA C 8 56.432 63.205 -6.773 1
1 8 . 2 1 1 A 8 8 SER CB C 8 63.397 61.943 1.454 1
1 9 . 2 1 1 A 8 8 SER N N 8 116.986 113.417 3.569 1
1 10 . 2 1 1 A 9 9 PRO HA H 9 4.471 4.494 -0.023 1
1 17 . 2 1 1 A 9 9 PRO C C 9 176.771 176.514 0.257 1
1 18 . 2 1 1 A 9 9 PRO CA C 9 63.244 62.852 0.392 1
1 19 . 2 1 1 A 9 9 PRO CB C 9 32.121 31.806 0.315 1
1 22 . 2 1 1 A 10 10 ILE H H 10 8.173 8.549 -0.376 1
1 23 . 2 1 1 A 10 10 ILE HA H 10 4.084 4.393 -0.309 1
1 33 . 2 1 1 A 10 10 ILE C C 10 175.703 175.567 0.136 1
1 34 . 2 1 1 A 10 10 ILE CA C 10 61.051 61.053 -0.002 1
1 35 . 2 1 1 A 10 10 ILE CB C 10 38.806 38.364 0.442 1
1 39 . 2 1 1 A 10 10 ILE N N 10 120.782 124.009 -3.227 1
1 40 . 2 1 1 A 11 11 ASN H H 11 8.538 8.621 -0.083 1
1 41 . 2 1 1 A 11 11 ASN HA H 11 4.992 5.192 -0.200 1
1 46 . 2 1 1 A 11 11 ASN C C 11 173.785 174.721 -0.936 1
1 47 . 2 1 1 A 11 11 ASN CA C 11 50.794 49.445 1.349 1
1 48 . 2 1 1 A 11 11 ASN CB C 11 39.063 39.801 -0.738 1
1 49 . 2 1 1 A 11 11 ASN N N 11 123.456 125.477 -2.021 1
1 51 . 2 1 1 A 12 12 PRO HA H 12 4.328 4.401 -0.073 1
1 58 . 2 1 1 A 12 12 PRO C C 12 176.674 177.426 -0.752 1
1 59 . 2 1 1 A 12 12 PRO CA C 12 63.616 65.401 -1.785 1
1 60 . 2 1 1 A 12 12 PRO CB C 12 31.997 31.861 0.136 1
1 63 . 2 1 1 A 13 13 TYR H H 13 7.994 8.043 -0.049 1
1 64 . 2 1 1 A 13 13 TYR HA H 13 4.574 4.803 -0.229 1
1 71 . 2 1 1 A 13 13 TYR C C 13 176.237 177.783 -1.546 1
1 72 . 2 1 1 A 13 13 TYR CA C 13 57.866 58.600 -0.734 1
1 73 . 2 1 1 A 13 13 TYR CB C 13 38.013 39.996 -1.983 1
1 78 . 2 1 1 A 13 13 TYR N N 13 118.352 116.064 2.288 1
1 79 . 2 1 1 A 14 14 LYS H H 14 7.727 7.488 0.239 1
1 80 . 2 1 1 A 14 14 LYS HA H 14 4.131 3.713 0.418 1
1 88 . 2 1 1 A 14 14 LYS C C 14 176.626 178.743 -2.117 1
1 89 . 2 1 1 A 14 14 LYS CA C 14 57.704 59.057 -1.353 1
1 90 . 2 1 1 A 14 14 LYS CB C 14 33.154 31.595 1.559 1
1 94 . 2 1 1 A 14 14 LYS N N 14 121.585 122.009 -0.424 1
1 95 . 2 1 1 A 15 15 ASP H H 15 8.374 8.421 -0.047 1
1 96 . 2 1 1 A 15 15 ASP HA H 15 4.620 4.319 0.301 1
1 99 . 2 1 1 A 15 15 ASP C C 15 174.125 178.935 -4.810 1
1 100 . 2 1 1 A 15 15 ASP CA C 15 54.763 56.877 -2.114 1
1 101 . 2 1 1 A 15 15 ASP CB C 15 40.533 40.186 0.347 1
1 102 . 2 1 1 A 15 15 ASP N N 15 119.870 118.183 1.687 1
1 103 . 2 1 1 A 16 16 HIS H H 16 8.034 8.137 -0.103 1
1 104 . 2 1 1 A 16 16 HIS HA H 16 4.419 4.341 0.078 1
1 109 . 2 1 1 A 16 16 HIS CA C 16 58.742 59.259 -0.517 1
1 110 . 2 1 1 A 16 16 HIS CB C 16 30.675 29.392 1.283 1
1 113 . 2 1 1 A 16 16 HIS N N 16 124.264 117.256 7.008 1
1 114 . 2 1 1 A 17 17 MET H H 17 8.049 8.257 -0.208 1
1 115 . 2 1 1 A 17 17 MET HA H 17 4.160 4.022 0.138 1
1 123 . 2 1 1 A 17 17 MET CA C 17 57.275 58.202 -0.927 1
1 124 . 2 1 1 A 17 17 MET CB C 17 31.055 33.388 -2.333 1
1 127 . 2 1 1 A 17 17 MET N N 17 117.829 118.122 -0.293 1
1 128 . 2 1 1 A 18 18 SER HA H 18 4.134 4.113 0.021 1
1 131 . 2 1 1 A 18 18 SER C C 18 176.941 175.916 1.025 1
1 132 . 2 1 1 A 18 18 SER CA C 18 61.889 61.989 -0.100 1
1 133 . 2 1 1 A 18 18 SER CB C 18 62.424 62.763 -0.339 1
1 134 . 2 1 1 A 19 19 VAL H H 19 7.568 8.000 -0.432 1
1 135 . 2 1 1 A 19 19 VAL HA H 19 3.809 3.562 0.247 1
1 143 . 2 1 1 A 19 19 VAL C C 19 177.913 177.466 0.447 1
1 144 . 2 1 1 A 19 19 VAL CA C 19 65.637 65.216 0.421 1
1 145 . 2 1 1 A 19 19 VAL CB C 19 31.737 31.588 0.149 1
1 148 . 2 1 1 A 19 19 VAL N N 19 122.341 120.540 1.801 1
1 149 . 2 1 1 A 20 20 LEU H H 20 7.788 7.564 0.224 1
1 150 . 2 1 1 A 20 20 LEU HA H 20 3.940 4.086 -0.146 1
1 160 . 2 1 1 A 20 20 LEU C C 20 178.520 179.003 -0.483 1
1 161 . 2 1 1 A 20 20 LEU CA C 20 58.336 57.833 0.503 1
1 162 . 2 1 1 A 20 20 LEU CB C 20 39.138 41.054 -1.916 1
1 166 . 2 1 1 A 20 20 LEU N N 20 120.156 121.273 -1.117 1
1 167 . 2 1 1 A 21 21 LYS H H 21 8.067 7.990 0.077 1
1 168 . 2 1 1 A 21 21 LYS HA H 21 4.047 4.459 -0.412 1
1 175 . 2 1 1 A 21 21 LYS C C 21 179.102 178.946 0.156 1
1 176 . 2 1 1 A 21 21 LYS CA C 21 60.667 58.827 1.840 1
1 177 . 2 1 1 A 21 21 LYS CB C 21 32.519 32.205 0.314 1
1 181 . 2 1 1 A 21 21 LYS N N 21 117.374 116.841 0.533 1
1 182 . 2 1 1 A 22 22 ALA H H 22 7.718 8.159 -0.441 1
1 183 . 2 1 1 A 22 22 ALA HA H 22 4.217 4.163 0.054 1
1 187 . 2 1 1 A 22 22 ALA C C 22 180.486 179.379 1.107 1
1 188 . 2 1 1 A 22 22 ALA CA C 22 54.954 54.807 0.147 1
1 189 . 2 1 1 A 22 22 ALA CB C 22 17.934 18.292 -0.358 1
1 190 . 2 1 1 A 22 22 ALA N N 22 122.528 122.263 0.265 1
1 191 . 2 1 1 A 23 23 TYR H H 23 8.036 7.401 0.635 1
1 192 . 2 1 1 A 23 23 TYR HA H 23 4.291 4.306 -0.015 1
1 199 . 2 1 1 A 23 23 TYR C C 23 178.860 178.471 0.389 1
1 200 . 2 1 1 A 23 23 TYR CA C 23 62.616 61.589 1.027 1
1 201 . 2 1 1 A 23 23 TYR CB C 23 38.455 38.496 -0.041 1
1 206 . 2 1 1 A 23 23 TYR N N 23 117.835 116.682 1.153 1
1 207 . 2 1 1 A 24 24 TYR H H 24 8.856 8.211 0.645 1
1 208 . 2 1 1 A 24 24 TYR HA H 24 4.420 4.923 -0.503 1
1 215 . 2 1 1 A 24 24 TYR C C 24 175.484 177.024 -1.540 1
1 216 . 2 1 1 A 24 24 TYR CA C 24 61.291 62.186 -0.895 1
1 217 . 2 1 1 A 24 24 TYR CB C 24 38.629 38.849 -0.220 1
1 222 . 2 1 1 A 24 24 TYR N N 24 122.534 120.603 1.931 1
1 223 . 2 1 1 A 25 25 ALA H H 25 7.616 8.155 -0.539 1
1 224 . 2 1 1 A 25 25 ALA HA H 25 4.084 4.223 -0.139 1
1 228 . 2 1 1 A 25 25 ALA C C 25 179.224 180.233 -1.009 1
1 229 . 2 1 1 A 25 25 ALA CA C 25 53.893 55.326 -1.433 1
1 230 . 2 1 1 A 25 25 ALA CB C 25 18.433 18.703 -0.270 1
1 231 . 2 1 1 A 25 25 ALA N N 25 116.147 121.555 -5.408 1
1 232 . 2 1 1 A 26 26 MET H H 26 7.379 7.813 -0.434 1
1 233 . 2 1 1 A 26 26 MET HA H 26 4.353 4.244 0.109 1
1 241 . 2 1 1 A 26 26 MET C C 26 176.529 176.261 0.268 1
1 242 . 2 1 1 A 26 26 MET CA C 26 56.724 58.699 -1.975 1
1 243 . 2 1 1 A 26 26 MET CB C 26 33.645 33.064 0.581 1
1 246 . 2 1 1 A 26 26 MET N N 26 114.990 117.299 -2.309 1
1 247 . 2 1 1 A 27 27 ASN H H 27 7.865 7.978 -0.113 1
1 248 . 2 1 1 A 27 27 ASN HA H 27 4.562 4.953 -0.391 1
1 253 . 2 1 1 A 27 27 ASN C C 27 173.323 175.630 -2.307 1
1 254 . 2 1 1 A 27 27 ASN CA C 27 53.143 51.676 1.467 1
1 255 . 2 1 1 A 27 27 ASN CB C 27 38.096 39.900 -1.804 1
1 256 . 2 1 1 A 27 27 ASN N N 27 117.385 116.840 0.545 1
1 258 . 2 1 1 A 28 28 MET H H 28 8.400 8.531 -0.131 1
1 259 . 2 1 1 A 28 28 MET HA H 28 4.064 3.790 0.274 1
1 267 . 2 1 1 A 28 28 MET C C 28 175.557 176.415 -0.858 1
1 268 . 2 1 1 A 28 28 MET CA C 28 57.419 58.415 -0.996 1
1 269 . 2 1 1 A 28 28 MET CB C 28 33.795 32.991 0.804 1
1 272 . 2 1 1 A 28 28 MET N N 28 121.660 123.572 -1.912 1
1 273 . 2 1 1 A 29 29 GLU H H 29 7.821 7.654 0.167 1
1 274 . 2 1 1 A 29 29 GLU HA H 29 4.757 4.632 0.125 1
1 279 . 2 1 1 A 29 29 GLU C C 29 172.328 173.255 -0.927 1
1 280 . 2 1 1 A 29 29 GLU CA C 29 53.293 53.070 0.223 1
1 281 . 2 1 1 A 29 29 GLU CB C 29 30.761 30.492 0.269 1
1 283 . 2 1 1 A 29 29 GLU N N 29 116.541 118.621 -2.080 1
1 284 . 2 1 1 A 30 30 PRO HA H 30 4.475 4.462 0.013 1
1 291 . 2 1 1 A 30 30 PRO C C 30 177.014 176.192 0.822 1
1 292 . 2 1 1 A 30 30 PRO CA C 30 62.603 62.134 0.469 1
1 293 . 2 1 1 A 30 30 PRO CB C 30 31.915 32.339 -0.424 1
1 296 . 2 1 1 A 31 31 ASN H H 31 8.909 8.270 0.639 1
1 297 . 2 1 1 A 31 31 ASN HA H 31 4.673 4.888 -0.215 1
1 302 . 2 1 1 A 31 31 ASN C C 31 175.460 176.785 -1.325 1
1 303 . 2 1 1 A 31 31 ASN CA C 31 51.303 50.890 0.413 1
1 304 . 2 1 1 A 31 31 ASN CB C 31 38.261 39.931 -1.670 1
1 305 . 2 1 1 A 31 31 ASN N N 31 120.499 118.891 1.608 1
1 307 . 2 1 1 A 32 32 SER H H 32 8.486 8.841 -0.355 1
1 308 . 2 1 1 A 32 32 SER HA H 32 4.024 4.069 -0.045 1
1 311 . 2 1 1 A 32 32 SER C C 32 176.650 176.252 0.398 1
1 312 . 2 1 1 A 32 32 SER CA C 32 62.621 61.838 0.783 1
1 313 . 2 1 1 A 32 32 SER CB C 32 62.675 62.960 -0.285 1
1 314 . 2 1 1 A 32 32 SER N N 32 112.460 113.807 -1.347 1
1 315 . 2 1 1 A 33 33 ASP H H 33 7.935 8.210 -0.275 1
1 316 . 2 1 1 A 33 33 ASP HA H 33 4.441 4.266 0.175 1
1 319 . 2 1 1 A 33 33 ASP C C 33 178.811 178.931 -0.120 1
1 320 . 2 1 1 A 33 33 ASP CA C 33 57.456 57.540 -0.084 1
1 321 . 2 1 1 A 33 33 ASP CB C 33 40.870 40.800 0.070 1
1 322 . 2 1 1 A 33 33 ASP N N 33 122.575 122.267 0.308 1
1 323 . 2 1 1 A 34 34 GLU H H 34 8.442 7.983 0.459 1
1 324 . 2 1 1 A 34 34 GLU HA H 34 3.898 3.894 0.004 1
1 329 . 2 1 1 A 34 34 GLU C C 34 179.127 178.906 0.221 1
1 330 . 2 1 1 A 34 34 GLU CA C 34 59.041 59.205 -0.164 1
1 331 . 2 1 1 A 34 34 GLU CB C 34 29.854 29.397 0.457 1
1 333 . 2 1 1 A 34 34 GLU N N 34 121.743 119.659 2.084 1
1 334 . 2 1 1 A 35 35 LEU H H 35 8.723 8.395 0.328 1
1 335 . 2 1 1 A 35 35 LEU HA H 35 3.735 3.678 0.057 1
1 345 . 2 1 1 A 35 35 LEU C C 35 179.321 178.719 0.602 1
1 346 . 2 1 1 A 35 35 LEU CA C 35 58.118 57.876 0.242 1
1 347 . 2 1 1 A 35 35 LEU CB C 35 42.428 41.607 0.821 1
1 351 . 2 1 1 A 35 35 LEU N N 35 119.674 120.839 -1.165 1
1 352 . 2 1 1 A 36 36 LEU H H 36 7.651 8.045 -0.394 1
1 353 . 2 1 1 A 36 36 LEU HA H 36 4.039 3.901 0.138 1
1 363 . 2 1 1 A 36 36 LEU C C 36 178.908 178.438 0.470 1
1 364 . 2 1 1 A 36 36 LEU CA C 36 58.414 58.827 -0.413 1
1 365 . 2 1 1 A 36 36 LEU CB C 36 41.040 41.885 -0.845 1
1 369 . 2 1 1 A 36 36 LEU N N 36 121.058 119.955 1.103 1
1 370 . 2 1 1 A 37 37 LYS H H 37 7.704 7.721 -0.017 1
1 371 . 2 1 1 A 37 37 LYS HA H 37 3.874 3.966 -0.092 1
1 379 . 2 1 1 A 37 37 LYS C C 37 180.025 179.211 0.814 1
1 380 . 2 1 1 A 37 37 LYS CA C 37 60.345 59.394 0.951 1
1 381 . 2 1 1 A 37 37 LYS CB C 37 32.327 32.557 -0.230 1
1 385 . 2 1 1 A 37 37 LYS N N 37 119.032 117.724 1.308 1
1 386 . 2 1 1 A 38 38 ILE H H 38 8.413 8.145 0.268 1
1 387 . 2 1 1 A 38 38 ILE HA H 38 3.296 3.167 0.129 1
1 397 . 2 1 1 A 38 38 ILE C C 38 177.063 177.618 -0.555 1
1 398 . 2 1 1 A 38 38 ILE CA C 38 65.479 65.168 0.311 1
1 399 . 2 1 1 A 38 38 ILE CB C 38 38.384 37.434 0.950 1
1 403 . 2 1 1 A 38 38 ILE N N 38 120.466 120.937 -0.471 1
1 404 . 2 1 1 A 39 39 SER H H 39 8.183 8.143 0.040 1
1 405 . 2 1 1 A 39 39 SER HA H 39 4.047 4.341 -0.294 1
1 408 . 2 1 1 A 39 39 SER C C 39 176.359 177.331 -0.972 1
1 409 . 2 1 1 A 39 39 SER CA C 39 62.620 60.806 1.814 1
1 410 . 2 1 1 A 39 39 SER CB C 39 62.548 62.960 -0.412 1
1 411 . 2 1 1 A 39 39 SER N N 39 115.371 113.738 1.633 1
1 412 . 2 1 1 A 40 40 ILE H H 40 7.983 7.684 0.299 1
1 413 . 2 1 1 A 40 40 ILE HA H 40 3.785 3.774 0.011 1
1 423 . 2 1 1 A 40 40 ILE C C 40 178.714 177.753 0.961 1
1 424 . 2 1 1 A 40 40 ILE CA C 40 64.307 65.147 -0.840 1
1 425 . 2 1 1 A 40 40 ILE CB C 40 38.440 37.928 0.512 1
1 429 . 2 1 1 A 40 40 ILE N N 40 121.913 123.108 -1.195 1
1 430 . 2 1 1 A 41 41 ALA H H 41 7.886 8.838 -0.952 1
1 431 . 2 1 1 A 41 41 ALA HA H 41 4.157 4.066 0.091 1
1 435 . 2 1 1 A 41 41 ALA C C 41 180.147 179.754 0.393 1
1 436 . 2 1 1 A 41 41 ALA CA C 41 55.268 55.595 -0.327 1
1 437 . 2 1 1 A 41 41 ALA CB C 41 18.646 18.747 -0.101 1
1 438 . 2 1 1 A 41 41 ALA N N 41 122.775 122.361 0.414 1
1 439 . 2 1 1 A 42 42 VAL H H 42 8.268 7.608 0.660 1
1 440 . 2 1 1 A 42 42 VAL HA H 42 4.352 3.971 0.381 1
1 448 . 2 1 1 A 42 42 VAL C C 42 175.849 176.859 -1.010 1
1 449 . 2 1 1 A 42 42 VAL CA C 42 61.352 63.614 -2.262 1
1 450 . 2 1 1 A 42 42 VAL CB C 42 32.632 33.050 -0.418 1
1 453 . 2 1 1 A 42 42 VAL N N 42 108.944 111.372 -2.428 1
1 454 . 2 1 1 A 43 43 GLY H H 43 7.837 7.926 -0.089 1
1 455 . 2 1 1 A 43 43 GLY HA2 H 43 3.937 4.055 -0.118 1
1 456 . 2 1 1 A 43 43 GLY HA3 H 43 3.852 4.086 -0.234 1
1 457 . 2 1 1 A 43 43 GLY C C 43 174.392 174.087 0.305 1
1 458 . 2 1 1 A 43 43 GLY CA C 43 46.770 44.789 1.981 1
1 459 . 2 1 1 A 43 43 GLY N N 43 110.644 111.708 -1.064 1
1 460 . 2 1 1 A 44 44 LEU H H 44 7.483 7.565 -0.082 1
1 461 . 2 1 1 A 44 44 LEU HA H 44 4.833 4.559 0.274 1
1 471 . 2 1 1 A 44 44 LEU C C 44 173.348 174.737 -1.389 1
1 472 . 2 1 1 A 44 44 LEU CA C 44 51.178 52.560 -1.382 1
1 473 . 2 1 1 A 44 44 LEU CB C 44 45.096 41.313 3.783 1
1 477 . 2 1 1 A 44 44 LEU N N 44 118.486 122.077 -3.591 1
1 478 . 2 1 1 A 45 45 PRO HA H 45 4.447 4.726 -0.279 1
1 485 . 2 1 1 A 45 45 PRO C C 45 178.301 177.872 0.429 1
1 486 . 2 1 1 A 45 45 PRO CA C 45 62.740 62.903 -0.163 1
1 487 . 2 1 1 A 45 45 PRO CB C 45 32.626 31.773 0.853 1
1 490 . 2 1 1 A 46 46 GLN H H 46 9.200 8.967 0.233 1
1 491 . 2 1 1 A 46 46 GLN HA H 46 4.007 4.014 -0.007 1
1 498 . 2 1 1 A 46 46 GLN C C 46 177.718 177.732 -0.014 1
1 499 . 2 1 1 A 46 46 GLN CA C 46 60.099 59.226 0.873 1
1 500 . 2 1 1 A 46 46 GLN CB C 46 28.371 28.593 -0.222 1
1 502 . 2 1 1 A 46 46 GLN N N 46 125.692 124.316 1.376 1
1 504 . 2 1 1 A 47 47 GLU H H 47 9.618 8.256 1.362 1
1 505 . 2 1 1 A 47 47 GLU HA H 47 4.036 4.083 -0.047 1
1 510 . 2 1 1 A 47 47 GLU C C 47 178.860 178.955 -0.095 1
1 511 . 2 1 1 A 47 47 GLU CA C 47 60.029 59.315 0.714 1
1 512 . 2 1 1 A 47 47 GLU CB C 47 28.746 29.640 -0.894 1
1 514 . 2 1 1 A 47 47 GLU N N 47 117.907 119.244 -1.337 1
1 515 . 2 1 1 A 48 48 PHE H H 48 7.194 7.884 -0.690 1
1 516 . 2 1 1 A 48 48 PHE HA H 48 4.385 4.240 0.145 1
1 524 . 2 1 1 A 48 48 PHE C C 48 177.524 177.471 0.053 1
1 525 . 2 1 1 A 48 48 PHE CA C 48 60.699 61.321 -0.622 1
1 526 . 2 1 1 A 48 48 PHE CB C 48 39.190 39.146 0.044 1
1 532 . 2 1 1 A 48 48 PHE N N 48 119.141 121.638 -2.497 1
1 533 . 2 1 1 A 49 49 VAL H H 49 7.761 8.517 -0.756 1
1 534 . 2 1 1 A 49 49 VAL HA H 49 3.509 3.941 -0.432 1
1 542 . 2 1 1 A 49 49 VAL C C 49 177.306 178.147 -0.841 1
1 543 . 2 1 1 A 49 49 VAL CA C 49 67.242 66.813 0.429 1
1 544 . 2 1 1 A 49 49 VAL CB C 49 31.844 31.721 0.123 1
1 547 . 2 1 1 A 49 49 VAL N N 49 120.478 119.761 0.717 1
1 548 . 2 1 1 A 50 50 LYS H H 50 8.751 8.119 0.632 1
1 549 . 2 1 1 A 50 50 LYS HA H 50 4.023 4.057 -0.034 1
1 557 . 2 1 1 A 50 50 LYS C C 50 178.593 178.668 -0.075 1
1 558 . 2 1 1 A 50 50 LYS CA C 50 60.274 59.916 0.358 1
1 559 . 2 1 1 A 50 50 LYS CB C 50 32.821 32.432 0.389 1
1 563 . 2 1 1 A 50 50 LYS N N 50 119.513 120.010 -0.497 1
1 564 . 2 1 1 A 51 51 GLU H H 51 7.636 7.841 -0.205 1
1 565 . 2 1 1 A 51 51 GLU HA H 51 4.110 4.203 -0.093 1
1 570 . 2 1 1 A 51 51 GLU C C 51 177.791 178.879 -1.088 1
1 571 . 2 1 1 A 51 51 GLU CA C 51 59.253 59.402 -0.149 1
1 572 . 2 1 1 A 51 51 GLU CB C 51 29.442 29.302 0.140 1
1 574 . 2 1 1 A 51 51 GLU N N 51 118.681 117.462 1.219 1
1 575 . 2 1 1 A 52 52 TRP H H 52 8.396 7.771 0.625 1
1 576 . 2 1 1 A 52 52 TRP HA H 52 3.794 4.268 -0.474 1
1 585 . 2 1 1 A 52 52 TRP C C 52 179.709 178.443 1.266 1
1 586 . 2 1 1 A 52 52 TRP CA C 52 62.688 60.767 1.921 1
1 587 . 2 1 1 A 52 52 TRP CB C 52 28.806 29.399 -0.593 1
1 593 . 2 1 1 A 52 52 TRP N N 52 121.740 121.908 -0.168 1
1 595 . 2 1 1 A 53 53 PHE H H 53 8.602 8.361 0.241 1
1 596 . 2 1 1 A 53 53 PHE HA H 53 3.899 4.331 -0.432 1
1 604 . 2 1 1 A 53 53 PHE C C 53 179.297 178.455 0.842 1
1 605 . 2 1 1 A 53 53 PHE CA C 53 63.414 61.923 1.491 1
1 606 . 2 1 1 A 53 53 PHE CB C 53 39.480 38.786 0.694 1
1 612 . 2 1 1 A 53 53 PHE N N 53 117.648 117.802 -0.154 1
1 613 . 2 1 1 A 54 54 GLU H H 54 8.372 8.597 -0.225 1
1 614 . 2 1 1 A 54 54 GLU HA H 54 4.070 3.919 0.151 1
1 619 . 2 1 1 A 54 54 GLU C C 54 179.540 179.135 0.405 1
1 620 . 2 1 1 A 54 54 GLU CA C 54 59.676 59.808 -0.132 1
1 621 . 2 1 1 A 54 54 GLU CB C 54 29.448 29.043 0.405 1
1 623 . 2 1 1 A 54 54 GLU N N 54 120.198 118.622 1.576 1
1 624 . 2 1 1 A 55 55 GLN H H 55 8.275 8.380 -0.105 1
1 625 . 2 1 1 A 55 55 GLN HA H 55 3.975 3.631 0.344 1
1 632 . 2 1 1 A 55 55 GLN C C 55 177.913 178.379 -0.466 1
1 633 . 2 1 1 A 55 55 GLN CA C 55 57.773 59.066 -1.293 1
1 634 . 2 1 1 A 55 55 GLN CB C 55 28.075 28.022 0.053 1
1 636 . 2 1 1 A 55 55 GLN N N 55 117.674 118.900 -1.226 1
1 638 . 2 1 1 A 56 56 ARG H H 56 7.413 8.133 -0.720 1
1 639 . 2 1 1 A 56 56 ARG HA H 56 3.727 3.995 -0.268 1
1 646 . 2 1 1 A 56 56 ARG C C 56 177.670 178.863 -1.193 1
1 647 . 2 1 1 A 56 56 ARG CA C 56 57.278 59.614 -2.336 1
1 648 . 2 1 1 A 56 56 ARG CB C 56 29.564 29.973 -0.409 1
1 651 . 2 1 1 A 56 56 ARG N N 56 119.111 119.498 -0.387 1
1 652 . 2 1 1 A 57 57 LYS H H 57 7.468 7.771 -0.303 1
1 653 . 2 1 1 A 57 57 LYS HA H 57 4.215 4.128 0.087 1
1 662 . 2 1 1 A 57 57 LYS C C 57 177.937 179.191 -1.254 1
1 663 . 2 1 1 A 57 57 LYS CA C 57 58.454 59.358 -0.904 1
1 664 . 2 1 1 A 57 57 LYS CB C 57 32.656 32.307 0.349 1
1 668 . 2 1 1 A 57 57 LYS N N 57 118.984 119.363 -0.379 1
1 669 . 2 1 1 A 58 58 VAL H H 58 7.564 7.638 -0.074 1
1 670 . 2 1 1 A 58 58 VAL HA H 58 3.866 3.592 0.274 1
1 678 . 2 1 1 A 58 58 VAL C C 58 177.306 177.146 0.160 1
1 679 . 2 1 1 A 58 58 VAL CA C 58 64.013 66.219 -2.206 1
1 680 . 2 1 1 A 58 58 VAL CB C 58 32.128 31.436 0.692 1
1 683 . 2 1 1 A 58 58 VAL N N 58 118.037 120.325 -2.288 1
1 684 . 2 1 1 A 59 59 TYR H H 59 7.871 6.702 1.169 1
1 685 . 2 1 1 A 59 59 TYR HA H 59 4.381 4.230 0.151 1
1 692 . 2 1 1 A 59 59 TYR C C 59 176.577 178.725 -2.148 1
1 693 . 2 1 1 A 59 59 TYR CA C 59 59.112 61.060 -1.948 1
1 694 . 2 1 1 A 59 59 TYR CB C 59 38.382 37.740 0.642 1
1 699 . 2 1 1 A 59 59 TYR N N 59 121.466 118.543 2.923 1
1 700 . 2 1 1 A 60 60 GLN H H 60 8.074 8.405 -0.331 1
1 701 . 2 1 1 A 60 60 GLN HA H 60 4.103 3.992 0.111 1
1 708 . 2 1 1 A 60 60 GLN C C 60 176.334 177.642 -1.308 1
1 709 . 2 1 1 A 60 60 GLN CA C 60 56.820 58.780 -1.960 1
1 710 . 2 1 1 A 60 60 GLN CB C 60 29.003 28.308 0.695 1
1 712 . 2 1 1 A 60 60 GLN N N 60 120.517 117.982 2.535 1
1 714 . 2 1 1 A 61 61 TYR H H 61 8.001 8.113 -0.112 1
1 715 . 2 1 1 A 61 61 TYR HA H 61 4.544 4.429 0.115 1
1 722 . 2 1 1 A 61 61 TYR C C 61 176.456 175.688 0.768 1
1 723 . 2 1 1 A 61 61 TYR CA C 61 58.442 59.469 -1.027 1
1 724 . 2 1 1 A 61 61 TYR CB C 61 38.408 39.776 -1.368 1
1 729 . 2 1 1 A 61 61 TYR N N 61 119.641 116.146 3.495 1
1 730 . 2 1 1 A 62 62 SER H H 62 8.071 8.294 -0.223 1
1 731 . 2 1 1 A 62 62 SER HA H 62 4.371 4.498 -0.127 1
1 734 . 2 1 1 A 62 62 SER C C 62 174.440 175.224 -0.784 1
1 735 . 2 1 1 A 62 62 SER CA C 62 58.830 57.393 1.437 1
1 736 . 2 1 1 A 62 62 SER CB C 62 63.806 64.286 -0.480 1
1 737 . 2 1 1 A 62 62 SER N N 62 116.272 113.976 2.296 1
1 738 . 2 1 1 A 63 63 ASN HA H 63 4.737 4.381 0.356 1
1 743 . 2 1 1 A 63 63 ASN CA C 63 50.823 54.051 -3.228 1
1 744 . 2 1 1 A 63 63 ASN CB C 63 38.920 37.323 1.597 1
1 746 . 2 1 1 A 64 64 SER HA H 64 4.407 4.832 -0.425 1
1 749 . 2 1 1 A 64 64 SER C C 64 174.610 174.549 0.061 1
1 750 . 2 1 1 A 64 64 SER CA C 64 58.794 56.345 2.449 1
1 751 . 2 1 1 A 64 64 SER CB C 64 63.727 66.596 -2.869 1
1 752 . 2 1 1 A 65 65 ARG H H 65 8.263 8.913 -0.650 1
1 753 . 2 1 1 A 65 65 ARG HA H 65 4.405 4.219 0.186 1
1 760 . 2 1 1 A 65 65 ARG C C 65 176.310 178.666 -2.356 1
1 761 . 2 1 1 A 65 65 ARG CA C 65 56.185 58.418 -2.233 1
1 762 . 2 1 1 A 65 65 ARG CB C 65 30.643 31.113 -0.470 1
1 765 . 2 1 1 A 65 65 ARG N N 65 122.520 120.745 1.775 1
1 766 . 2 1 1 A 66 66 SER H H 66 8.253 7.788 0.465 1
1 767 . 2 1 1 A 66 66 SER HA H 66 4.507 4.230 0.277 1
1 770 . 2 1 1 A 66 66 SER C C 66 174.489 175.929 -1.440 1
1 771 . 2 1 1 A 66 66 SER CA C 66 58.320 61.316 -2.996 1
1 772 . 2 1 1 A 66 66 SER CB C 66 63.974 63.071 0.903 1
1 773 . 2 1 1 A 66 66 SER N N 66 116.498 114.940 1.558 1
1 774 . 2 1 1 A 67 67 GLY H H 67 8.201 7.931 0.270 1
1 775 . 2 1 1 A 67 67 GLY HA2 H 67 4.113 4.142 -0.029 1
1 776 . 2 1 1 A 67 67 GLY C C 67 171.769 173.139 -1.370 1
1 777 . 2 1 1 A 67 67 GLY CA C 67 44.689 44.689 0.000 1
1 778 . 2 1 1 A 67 67 GLY N N 67 110.648 109.894 0.754 1
1 781 . 2 1 1 A 69 69 SER HA H 69 4.481 4.984 -0.503 1
1 784 . 2 1 1 A 69 69 SER C C 69 174.659 173.457 1.202 1
1 785 . 2 1 1 A 69 69 SER CA C 69 58.371 57.831 0.540 1
1 786 . 2 1 1 A 69 69 SER CB C 69 63.645 65.519 -1.874 1
1 787 . 2 1 1 A 70 70 SER H H 70 8.303 8.907 -0.604 1
1 788 . 2 1 1 A 70 70 SER HA H 70 4.473 4.534 -0.061 1
1 791 . 2 1 1 A 70 70 SER C C 70 173.930 175.961 -2.031 1
1 792 . 2 1 1 A 70 70 SER CA C 70 58.406 58.857 -0.451 1
1 793 . 2 1 1 A 70 70 SER CB C 70 64.057 64.311 -0.254 1
1 794 . 2 1 1 A 70 70 SER N N 70 117.757 121.202 -3.445 1
1 1 . 3 1 1 A 7 7 GLY HA2 H 7 3.980 3.990 -0.010 1
1 2 . 3 1 1 A 7 7 GLY HA3 H 7 3.980 3.998 -0.018 1
1 3 . 3 1 1 A 7 7 GLY C C 7 173.809 175.895 -2.086 1
1 4 . 3 1 1 A 7 7 GLY CA C 7 45.148 46.116 -0.968 1
1 5 . 3 1 1 A 8 8 SER H H 8 8.167 8.202 -0.035 1
1 6 . 3 1 1 A 8 8 SER C C 8 172.741 174.999 -2.258 1
1 7 . 3 1 1 A 8 8 SER CA C 8 56.432 63.307 -6.875 1
1 8 . 3 1 1 A 8 8 SER CB C 8 63.397 61.985 1.412 1
1 9 . 3 1 1 A 8 8 SER N N 8 116.986 118.437 -1.451 1
1 10 . 3 1 1 A 9 9 PRO HA H 9 4.471 4.643 -0.172 1
1 17 . 3 1 1 A 9 9 PRO C C 9 176.771 175.495 1.276 1
1 18 . 3 1 1 A 9 9 PRO CA C 9 63.244 62.256 0.988 1
1 19 . 3 1 1 A 9 9 PRO CB C 9 32.121 32.617 -0.496 1
1 22 . 3 1 1 A 10 10 ILE H H 10 8.173 8.359 -0.186 1
1 23 . 3 1 1 A 10 10 ILE HA H 10 4.084 4.706 -0.622 1
1 33 . 3 1 1 A 10 10 ILE C C 10 175.703 174.918 0.785 1
1 34 . 3 1 1 A 10 10 ILE CA C 10 61.051 59.548 1.503 1
1 35 . 3 1 1 A 10 10 ILE CB C 10 38.806 40.839 -2.033 1
1 39 . 3 1 1 A 10 10 ILE N N 10 120.782 120.771 0.011 1
1 40 . 3 1 1 A 11 11 ASN H H 11 8.538 8.600 -0.062 1
1 41 . 3 1 1 A 11 11 ASN HA H 11 4.992 5.103 -0.111 1
1 46 . 3 1 1 A 11 11 ASN C C 11 173.785 174.925 -1.140 1
1 47 . 3 1 1 A 11 11 ASN CA C 11 50.794 49.518 1.276 1
1 48 . 3 1 1 A 11 11 ASN CB C 11 39.063 39.633 -0.570 1
1 49 . 3 1 1 A 11 11 ASN N N 11 123.456 124.210 -0.754 1
1 51 . 3 1 1 A 12 12 PRO HA H 12 4.328 4.271 0.057 1
1 58 . 3 1 1 A 12 12 PRO C C 12 176.674 177.079 -0.405 1
1 59 . 3 1 1 A 12 12 PRO CA C 12 63.616 65.146 -1.530 1
1 60 . 3 1 1 A 12 12 PRO CB C 12 31.997 31.800 0.197 1
1 63 . 3 1 1 A 13 13 TYR H H 13 7.994 7.738 0.256 1
1 64 . 3 1 1 A 13 13 TYR HA H 13 4.574 4.802 -0.228 1
1 71 . 3 1 1 A 13 13 TYR C C 13 176.237 177.839 -1.602 1
1 72 . 3 1 1 A 13 13 TYR CA C 13 57.866 58.368 -0.502 1
1 73 . 3 1 1 A 13 13 TYR CB C 13 38.013 40.029 -2.016 1
1 78 . 3 1 1 A 13 13 TYR N N 13 118.352 116.023 2.329 1
1 79 . 3 1 1 A 14 14 LYS H H 14 7.727 7.498 0.229 1
1 80 . 3 1 1 A 14 14 LYS HA H 14 4.131 4.025 0.106 1
1 88 . 3 1 1 A 14 14 LYS C C 14 176.626 178.421 -1.795 1
1 89 . 3 1 1 A 14 14 LYS CA C 14 57.704 59.161 -1.457 1
1 90 . 3 1 1 A 14 14 LYS CB C 14 33.154 31.642 1.512 1
1 94 . 3 1 1 A 14 14 LYS N N 14 121.585 122.217 -0.632 1
1 95 . 3 1 1 A 15 15 ASP H H 15 8.374 7.882 0.492 1
1 96 . 3 1 1 A 15 15 ASP HA H 15 4.620 4.211 0.409 1
1 99 . 3 1 1 A 15 15 ASP C C 15 174.125 178.401 -4.276 1
1 100 . 3 1 1 A 15 15 ASP CA C 15 54.763 57.313 -2.550 1
1 101 . 3 1 1 A 15 15 ASP CB C 15 40.533 41.790 -1.257 1
1 102 . 3 1 1 A 15 15 ASP N N 15 119.870 119.530 0.340 1
1 103 . 3 1 1 A 16 16 HIS H H 16 8.034 8.045 -0.011 1
1 104 . 3 1 1 A 16 16 HIS HA H 16 4.419 4.256 0.163 1
1 109 . 3 1 1 A 16 16 HIS CA C 16 58.742 59.046 -0.304 1
1 110 . 3 1 1 A 16 16 HIS CB C 16 30.675 29.875 0.800 1
1 113 . 3 1 1 A 16 16 HIS N N 16 124.264 118.425 5.839 1
1 114 . 3 1 1 A 17 17 MET H H 17 8.049 8.170 -0.121 1
1 115 . 3 1 1 A 17 17 MET HA H 17 4.160 3.949 0.211 1
1 123 . 3 1 1 A 17 17 MET CA C 17 57.275 58.080 -0.805 1
1 124 . 3 1 1 A 17 17 MET CB C 17 31.055 33.338 -2.283 1
1 127 . 3 1 1 A 17 17 MET N N 17 117.829 117.980 -0.151 1
1 128 . 3 1 1 A 18 18 SER HA H 18 4.134 4.122 0.012 1
1 131 . 3 1 1 A 18 18 SER C C 18 176.941 176.305 0.636 1
1 132 . 3 1 1 A 18 18 SER CA C 18 61.889 62.575 -0.686 1
1 133 . 3 1 1 A 18 18 SER CB C 18 62.424 62.540 -0.116 1
1 134 . 3 1 1 A 19 19 VAL H H 19 7.568 8.013 -0.445 1
1 135 . 3 1 1 A 19 19 VAL HA H 19 3.809 3.566 0.243 1
1 143 . 3 1 1 A 19 19 VAL C C 19 177.913 177.522 0.391 1
1 144 . 3 1 1 A 19 19 VAL CA C 19 65.637 66.004 -0.367 1
1 145 . 3 1 1 A 19 19 VAL CB C 19 31.737 31.878 -0.141 1
1 148 . 3 1 1 A 19 19 VAL N N 19 122.341 120.645 1.696 1
1 149 . 3 1 1 A 20 20 LEU H H 20 7.788 8.167 -0.379 1
1 150 . 3 1 1 A 20 20 LEU HA H 20 3.940 4.168 -0.228 1
1 160 . 3 1 1 A 20 20 LEU C C 20 178.520 179.899 -1.379 1
1 161 . 3 1 1 A 20 20 LEU CA C 20 58.336 58.293 0.043 1
1 162 . 3 1 1 A 20 20 LEU CB C 20 39.138 40.983 -1.845 1
1 166 . 3 1 1 A 20 20 LEU N N 20 120.156 121.831 -1.675 1
1 167 . 3 1 1 A 21 21 LYS H H 21 8.067 8.262 -0.195 1
1 168 . 3 1 1 A 21 21 LYS HA H 21 4.047 4.417 -0.370 1
1 175 . 3 1 1 A 21 21 LYS C C 21 179.102 179.498 -0.396 1
1 176 . 3 1 1 A 21 21 LYS CA C 21 60.667 59.619 1.048 1
1 177 . 3 1 1 A 21 21 LYS CB C 21 32.519 32.265 0.254 1
1 181 . 3 1 1 A 21 21 LYS N N 21 117.374 118.215 -0.841 1
1 182 . 3 1 1 A 22 22 ALA H H 22 7.718 8.112 -0.394 1
1 183 . 3 1 1 A 22 22 ALA HA H 22 4.217 4.102 0.115 1
1 187 . 3 1 1 A 22 22 ALA C C 22 180.486 179.275 1.211 1
1 188 . 3 1 1 A 22 22 ALA CA C 22 54.954 54.810 0.144 1
1 189 . 3 1 1 A 22 22 ALA CB C 22 17.934 18.151 -0.217 1
1 190 . 3 1 1 A 22 22 ALA N N 22 122.528 122.232 0.296 1
1 191 . 3 1 1 A 23 23 TYR H H 23 8.036 7.714 0.322 1
1 192 . 3 1 1 A 23 23 TYR HA H 23 4.291 4.448 -0.157 1
1 199 . 3 1 1 A 23 23 TYR C C 23 178.860 178.545 0.315 1
1 200 . 3 1 1 A 23 23 TYR CA C 23 62.616 61.456 1.160 1
1 201 . 3 1 1 A 23 23 TYR CB C 23 38.455 38.389 0.066 1
1 206 . 3 1 1 A 23 23 TYR N N 23 117.835 116.163 1.672 1
1 207 . 3 1 1 A 24 24 TYR H H 24 8.856 8.264 0.592 1
1 208 . 3 1 1 A 24 24 TYR HA H 24 4.420 4.893 -0.473 1
1 215 . 3 1 1 A 24 24 TYR C C 24 175.484 176.967 -1.483 1
1 216 . 3 1 1 A 24 24 TYR CA C 24 61.291 62.128 -0.837 1
1 217 . 3 1 1 A 24 24 TYR CB C 24 38.629 38.745 -0.116 1
1 222 . 3 1 1 A 24 24 TYR N N 24 122.534 120.676 1.858 1
1 223 . 3 1 1 A 25 25 ALA H H 25 7.616 8.561 -0.945 1
1 224 . 3 1 1 A 25 25 ALA HA H 25 4.084 4.203 -0.119 1
1 228 . 3 1 1 A 25 25 ALA C C 25 179.224 179.939 -0.715 1
1 229 . 3 1 1 A 25 25 ALA CA C 25 53.893 55.389 -1.496 1
1 230 . 3 1 1 A 25 25 ALA CB C 25 18.433 18.622 -0.189 1
1 231 . 3 1 1 A 25 25 ALA N N 25 116.147 121.677 -5.530 1
1 232 . 3 1 1 A 26 26 MET H H 26 7.379 7.917 -0.538 1
1 233 . 3 1 1 A 26 26 MET HA H 26 4.353 4.347 0.006 1
1 241 . 3 1 1 A 26 26 MET C C 26 176.529 176.392 0.137 1
1 242 . 3 1 1 A 26 26 MET CA C 26 56.724 58.389 -1.665 1
1 243 . 3 1 1 A 26 26 MET CB C 26 33.645 33.263 0.382 1
1 246 . 3 1 1 A 26 26 MET N N 26 114.990 116.983 -1.993 1
1 247 . 3 1 1 A 27 27 ASN H H 27 7.865 8.320 -0.455 1
1 248 . 3 1 1 A 27 27 ASN HA H 27 4.562 4.977 -0.415 1
1 253 . 3 1 1 A 27 27 ASN C C 27 173.323 175.469 -2.146 1
1 254 . 3 1 1 A 27 27 ASN CA C 27 53.143 51.630 1.513 1
1 255 . 3 1 1 A 27 27 ASN CB C 27 38.096 39.322 -1.226 1
1 256 . 3 1 1 A 27 27 ASN N N 27 117.385 117.008 0.377 1
1 258 . 3 1 1 A 28 28 MET H H 28 8.400 8.587 -0.187 1
1 259 . 3 1 1 A 28 28 MET HA H 28 4.064 3.628 0.436 1
1 267 . 3 1 1 A 28 28 MET C C 28 175.557 176.253 -0.696 1
1 268 . 3 1 1 A 28 28 MET CA C 28 57.419 58.237 -0.818 1
1 269 . 3 1 1 A 28 28 MET CB C 28 33.795 32.420 1.375 1
1 272 . 3 1 1 A 28 28 MET N N 28 121.660 124.385 -2.725 1
1 273 . 3 1 1 A 29 29 GLU H H 29 7.821 8.059 -0.238 1
1 274 . 3 1 1 A 29 29 GLU HA H 29 4.757 4.581 0.176 1
1 279 . 3 1 1 A 29 29 GLU C C 29 172.328 173.301 -0.973 1
1 280 . 3 1 1 A 29 29 GLU CA C 29 53.293 53.025 0.268 1
1 281 . 3 1 1 A 29 29 GLU CB C 29 30.761 30.299 0.462 1
1 283 . 3 1 1 A 29 29 GLU N N 29 116.541 118.620 -2.079 1
1 284 . 3 1 1 A 30 30 PRO HA H 30 4.475 4.468 0.007 1
1 291 . 3 1 1 A 30 30 PRO C C 30 177.014 176.686 0.328 1
1 292 . 3 1 1 A 30 30 PRO CA C 30 62.603 62.556 0.047 1
1 293 . 3 1 1 A 30 30 PRO CB C 30 31.915 31.877 0.038 1
1 296 . 3 1 1 A 31 31 ASN H H 31 8.909 8.102 0.807 1
1 297 . 3 1 1 A 31 31 ASN HA H 31 4.673 4.612 0.061 1
1 302 . 3 1 1 A 31 31 ASN C C 31 175.460 176.668 -1.208 1
1 303 . 3 1 1 A 31 31 ASN CA C 31 51.303 51.777 -0.474 1
1 304 . 3 1 1 A 31 31 ASN CB C 31 38.261 38.749 -0.488 1
1 305 . 3 1 1 A 31 31 ASN N N 31 120.499 118.543 1.956 1
1 307 . 3 1 1 A 32 32 SER H H 32 8.486 8.833 -0.347 1
1 308 . 3 1 1 A 32 32 SER HA H 32 4.024 4.039 -0.015 1
1 311 . 3 1 1 A 32 32 SER C C 32 176.650 176.268 0.382 1
1 312 . 3 1 1 A 32 32 SER CA C 32 62.621 61.939 0.682 1
1 313 . 3 1 1 A 32 32 SER CB C 32 62.675 62.977 -0.302 1
1 314 . 3 1 1 A 32 32 SER N N 32 112.460 113.943 -1.483 1
1 315 . 3 1 1 A 33 33 ASP H H 33 7.935 8.237 -0.302 1
1 316 . 3 1 1 A 33 33 ASP HA H 33 4.441 4.270 0.171 1
1 319 . 3 1 1 A 33 33 ASP C C 33 178.811 178.939 -0.128 1
1 320 . 3 1 1 A 33 33 ASP CA C 33 57.456 57.546 -0.090 1
1 321 . 3 1 1 A 33 33 ASP CB C 33 40.870 40.804 0.066 1
1 322 . 3 1 1 A 33 33 ASP N N 33 122.575 122.278 0.297 1
1 323 . 3 1 1 A 34 34 GLU H H 34 8.442 8.029 0.413 1
1 324 . 3 1 1 A 34 34 GLU HA H 34 3.898 3.899 -0.001 1
1 329 . 3 1 1 A 34 34 GLU C C 34 179.127 178.960 0.167 1
1 330 . 3 1 1 A 34 34 GLU CA C 34 59.041 59.062 -0.021 1
1 331 . 3 1 1 A 34 34 GLU CB C 34 29.854 29.330 0.524 1
1 333 . 3 1 1 A 34 34 GLU N N 34 121.743 119.572 2.171 1
1 334 . 3 1 1 A 35 35 LEU H H 35 8.723 8.403 0.320 1
1 335 . 3 1 1 A 35 35 LEU HA H 35 3.735 3.717 0.018 1
1 345 . 3 1 1 A 35 35 LEU C C 35 179.321 178.874 0.447 1
1 346 . 3 1 1 A 35 35 LEU CA C 35 58.118 57.985 0.133 1
1 347 . 3 1 1 A 35 35 LEU CB C 35 42.428 41.582 0.846 1
1 351 . 3 1 1 A 35 35 LEU N N 35 119.674 120.839 -1.165 1
1 352 . 3 1 1 A 36 36 LEU H H 36 7.651 8.105 -0.454 1
1 353 . 3 1 1 A 36 36 LEU HA H 36 4.039 3.938 0.101 1
1 363 . 3 1 1 A 36 36 LEU C C 36 178.908 178.403 0.505 1
1 364 . 3 1 1 A 36 36 LEU CA C 36 58.414 58.734 -0.320 1
1 365 . 3 1 1 A 36 36 LEU CB C 36 41.040 41.952 -0.912 1
1 369 . 3 1 1 A 36 36 LEU N N 36 121.058 119.873 1.185 1
1 370 . 3 1 1 A 37 37 LYS H H 37 7.704 7.733 -0.029 1
1 371 . 3 1 1 A 37 37 LYS HA H 37 3.874 3.897 -0.023 1
1 379 . 3 1 1 A 37 37 LYS C C 37 180.025 178.999 1.026 1
1 380 . 3 1 1 A 37 37 LYS CA C 37 60.345 59.441 0.904 1
1 381 . 3 1 1 A 37 37 LYS CB C 37 32.327 32.332 -0.005 1
1 385 . 3 1 1 A 37 37 LYS N N 37 119.032 117.751 1.281 1
1 386 . 3 1 1 A 38 38 ILE H H 38 8.413 8.301 0.112 1
1 387 . 3 1 1 A 38 38 ILE HA H 38 3.296 3.348 -0.052 1
1 397 . 3 1 1 A 38 38 ILE C C 38 177.063 178.089 -1.026 1
1 398 . 3 1 1 A 38 38 ILE CA C 38 65.479 65.075 0.404 1
1 399 . 3 1 1 A 38 38 ILE CB C 38 38.384 37.569 0.815 1
1 403 . 3 1 1 A 38 38 ILE N N 38 120.466 121.009 -0.543 1
1 404 . 3 1 1 A 39 39 SER H H 39 8.183 8.110 0.073 1
1 405 . 3 1 1 A 39 39 SER HA H 39 4.047 4.325 -0.278 1
1 408 . 3 1 1 A 39 39 SER C C 39 176.359 177.273 -0.914 1
1 409 . 3 1 1 A 39 39 SER CA C 39 62.620 60.864 1.756 1
1 410 . 3 1 1 A 39 39 SER CB C 39 62.548 62.913 -0.365 1
1 411 . 3 1 1 A 39 39 SER N N 39 115.371 113.908 1.463 1
1 412 . 3 1 1 A 40 40 ILE H H 40 7.983 7.949 0.034 1
1 413 . 3 1 1 A 40 40 ILE HA H 40 3.785 3.776 0.009 1
1 423 . 3 1 1 A 40 40 ILE C C 40 178.714 177.892 0.822 1
1 424 . 3 1 1 A 40 40 ILE CA C 40 64.307 65.018 -0.711 1
1 425 . 3 1 1 A 40 40 ILE CB C 40 38.440 37.932 0.508 1
1 429 . 3 1 1 A 40 40 ILE N N 40 121.913 123.140 -1.227 1
1 430 . 3 1 1 A 41 41 ALA H H 41 7.886 8.839 -0.953 1
1 431 . 3 1 1 A 41 41 ALA HA H 41 4.157 4.028 0.129 1
1 435 . 3 1 1 A 41 41 ALA C C 41 180.147 179.724 0.423 1
1 436 . 3 1 1 A 41 41 ALA CA C 41 55.268 55.366 -0.098 1
1 437 . 3 1 1 A 41 41 ALA CB C 41 18.646 18.574 0.072 1
1 438 . 3 1 1 A 41 41 ALA N N 41 122.775 122.142 0.633 1
1 439 . 3 1 1 A 42 42 VAL H H 42 8.268 7.125 1.143 1
1 440 . 3 1 1 A 42 42 VAL HA H 42 4.352 4.196 0.156 1
1 448 . 3 1 1 A 42 42 VAL C C 42 175.849 177.084 -1.235 1
1 449 . 3 1 1 A 42 42 VAL CA C 42 61.352 63.611 -2.259 1
1 450 . 3 1 1 A 42 42 VAL CB C 42 32.632 33.286 -0.654 1
1 453 . 3 1 1 A 42 42 VAL N N 42 108.944 110.415 -1.471 1
1 454 . 3 1 1 A 43 43 GLY H H 43 7.837 8.011 -0.174 1
1 455 . 3 1 1 A 43 43 GLY HA2 H 43 3.937 3.980 -0.043 1
1 456 . 3 1 1 A 43 43 GLY HA3 H 43 3.852 3.989 -0.137 1
1 457 . 3 1 1 A 43 43 GLY C C 43 174.392 174.138 0.254 1
1 458 . 3 1 1 A 43 43 GLY CA C 43 46.770 44.791 1.979 1
1 459 . 3 1 1 A 43 43 GLY N N 43 110.644 111.771 -1.127 1
1 460 . 3 1 1 A 44 44 LEU H H 44 7.483 7.615 -0.132 1
1 461 . 3 1 1 A 44 44 LEU HA H 44 4.833 4.378 0.455 1
1 471 . 3 1 1 A 44 44 LEU C C 44 173.348 174.795 -1.447 1
1 472 . 3 1 1 A 44 44 LEU CA C 44 51.178 52.846 -1.668 1
1 473 . 3 1 1 A 44 44 LEU CB C 44 45.096 41.071 4.025 1
1 477 . 3 1 1 A 44 44 LEU N N 44 118.486 122.825 -4.339 1
1 478 . 3 1 1 A 45 45 PRO HA H 45 4.447 4.699 -0.252 1
1 485 . 3 1 1 A 45 45 PRO C C 45 178.301 177.856 0.445 1
1 486 . 3 1 1 A 45 45 PRO CA C 45 62.740 63.032 -0.292 1
1 487 . 3 1 1 A 45 45 PRO CB C 45 32.626 31.730 0.896 1
1 490 . 3 1 1 A 46 46 GLN H H 46 9.200 8.990 0.210 1
1 491 . 3 1 1 A 46 46 GLN HA H 46 4.007 4.023 -0.016 1
1 498 . 3 1 1 A 46 46 GLN C C 46 177.718 177.863 -0.145 1
1 499 . 3 1 1 A 46 46 GLN CA C 46 60.099 59.217 0.882 1
1 500 . 3 1 1 A 46 46 GLN CB C 46 28.371 28.730 -0.359 1
1 502 . 3 1 1 A 46 46 GLN N N 46 125.692 124.496 1.196 1
1 504 . 3 1 1 A 47 47 GLU H H 47 9.618 8.541 1.077 1
1 505 . 3 1 1 A 47 47 GLU HA H 47 4.036 4.085 -0.049 1
1 510 . 3 1 1 A 47 47 GLU C C 47 178.860 179.031 -0.171 1
1 511 . 3 1 1 A 47 47 GLU CA C 47 60.029 59.501 0.528 1
1 512 . 3 1 1 A 47 47 GLU CB C 47 28.746 29.512 -0.766 1
1 514 . 3 1 1 A 47 47 GLU N N 47 117.907 118.852 -0.945 1
1 515 . 3 1 1 A 48 48 PHE H H 48 7.194 8.161 -0.967 1
1 516 . 3 1 1 A 48 48 PHE HA H 48 4.385 4.262 0.123 1
1 524 . 3 1 1 A 48 48 PHE C C 48 177.524 177.438 0.086 1
1 525 . 3 1 1 A 48 48 PHE CA C 48 60.699 61.209 -0.510 1
1 526 . 3 1 1 A 48 48 PHE CB C 48 39.190 39.019 0.171 1
1 532 . 3 1 1 A 48 48 PHE N N 48 119.141 121.095 -1.954 1
1 533 . 3 1 1 A 49 49 VAL H H 49 7.761 8.404 -0.643 1
1 534 . 3 1 1 A 49 49 VAL HA H 49 3.509 4.031 -0.522 1
1 542 . 3 1 1 A 49 49 VAL C C 49 177.306 178.104 -0.798 1
1 543 . 3 1 1 A 49 49 VAL CA C 49 67.242 66.936 0.306 1
1 544 . 3 1 1 A 49 49 VAL CB C 49 31.844 31.788 0.056 1
1 547 . 3 1 1 A 49 49 VAL N N 49 120.478 119.876 0.602 1
1 548 . 3 1 1 A 50 50 LYS H H 50 8.751 8.447 0.304 1
1 549 . 3 1 1 A 50 50 LYS HA H 50 4.023 4.056 -0.033 1
1 557 . 3 1 1 A 50 50 LYS C C 50 178.593 179.175 -0.582 1
1 558 . 3 1 1 A 50 50 LYS CA C 50 60.274 59.860 0.414 1
1 559 . 3 1 1 A 50 50 LYS CB C 50 32.821 32.607 0.214 1
1 563 . 3 1 1 A 50 50 LYS N N 50 119.513 120.352 -0.839 1
1 564 . 3 1 1 A 51 51 GLU H H 51 7.636 7.563 0.073 1
1 565 . 3 1 1 A 51 51 GLU HA H 51 4.110 4.070 0.040 1
1 570 . 3 1 1 A 51 51 GLU C C 51 177.791 178.910 -1.119 1
1 571 . 3 1 1 A 51 51 GLU CA C 51 59.253 59.612 -0.359 1
1 572 . 3 1 1 A 51 51 GLU CB C 51 29.442 29.354 0.088 1
1 574 . 3 1 1 A 51 51 GLU N N 51 118.681 117.433 1.248 1
1 575 . 3 1 1 A 52 52 TRP H H 52 8.396 7.922 0.474 1
1 576 . 3 1 1 A 52 52 TRP HA H 52 3.794 4.253 -0.459 1
1 585 . 3 1 1 A 52 52 TRP C C 52 179.709 178.594 1.115 1
1 586 . 3 1 1 A 52 52 TRP CA C 52 62.688 60.556 2.132 1
1 587 . 3 1 1 A 52 52 TRP CB C 52 28.806 29.618 -0.812 1
1 593 . 3 1 1 A 52 52 TRP N N 52 121.740 122.106 -0.366 1
1 595 . 3 1 1 A 53 53 PHE H H 53 8.602 8.196 0.406 1
1 596 . 3 1 1 A 53 53 PHE HA H 53 3.899 4.219 -0.320 1
1 604 . 3 1 1 A 53 53 PHE C C 53 179.297 178.448 0.849 1
1 605 . 3 1 1 A 53 53 PHE CA C 53 63.414 61.809 1.605 1
1 606 . 3 1 1 A 53 53 PHE CB C 53 39.480 38.745 0.735 1
1 612 . 3 1 1 A 53 53 PHE N N 53 117.648 117.404 0.244 1
1 613 . 3 1 1 A 54 54 GLU H H 54 8.372 8.153 0.219 1
1 614 . 3 1 1 A 54 54 GLU HA H 54 4.070 3.918 0.152 1
1 619 . 3 1 1 A 54 54 GLU C C 54 179.540 179.328 0.212 1
1 620 . 3 1 1 A 54 54 GLU CA C 54 59.676 60.078 -0.402 1
1 621 . 3 1 1 A 54 54 GLU CB C 54 29.448 29.347 0.101 1
1 623 . 3 1 1 A 54 54 GLU N N 54 120.198 119.105 1.093 1
1 624 . 3 1 1 A 55 55 GLN H H 55 8.275 8.612 -0.337 1
1 625 . 3 1 1 A 55 55 GLN HA H 55 3.975 3.891 0.084 1
1 632 . 3 1 1 A 55 55 GLN C C 55 177.913 178.611 -0.698 1
1 633 . 3 1 1 A 55 55 GLN CA C 55 57.773 59.344 -1.571 1
1 634 . 3 1 1 A 55 55 GLN CB C 55 28.075 27.956 0.119 1
1 636 . 3 1 1 A 55 55 GLN N N 55 117.674 118.897 -1.223 1
1 638 . 3 1 1 A 56 56 ARG H H 56 7.413 7.466 -0.053 1
1 639 . 3 1 1 A 56 56 ARG HA H 56 3.727 4.046 -0.319 1
1 646 . 3 1 1 A 56 56 ARG C C 56 177.670 179.117 -1.447 1
1 647 . 3 1 1 A 56 56 ARG CA C 56 57.278 59.283 -2.005 1
1 648 . 3 1 1 A 56 56 ARG CB C 56 29.564 29.906 -0.342 1
1 651 . 3 1 1 A 56 56 ARG N N 56 119.111 120.917 -1.806 1
1 652 . 3 1 1 A 57 57 LYS H H 57 7.468 7.794 -0.326 1
1 653 . 3 1 1 A 57 57 LYS HA H 57 4.215 4.242 -0.027 1
1 662 . 3 1 1 A 57 57 LYS C C 57 177.937 179.277 -1.340 1
1 663 . 3 1 1 A 57 57 LYS CA C 57 58.454 59.530 -1.076 1
1 664 . 3 1 1 A 57 57 LYS CB C 57 32.656 32.662 -0.006 1
1 668 . 3 1 1 A 57 57 LYS N N 57 118.984 118.706 0.278 1
1 669 . 3 1 1 A 58 58 VAL H H 58 7.564 7.950 -0.386 1
1 670 . 3 1 1 A 58 58 VAL HA H 58 3.866 3.700 0.166 1
1 678 . 3 1 1 A 58 58 VAL C C 58 177.306 177.102 0.204 1
1 679 . 3 1 1 A 58 58 VAL CA C 58 64.013 65.755 -1.742 1
1 680 . 3 1 1 A 58 58 VAL CB C 58 32.128 31.363 0.765 1
1 683 . 3 1 1 A 58 58 VAL N N 58 118.037 119.888 -1.851 1
1 684 . 3 1 1 A 59 59 TYR H H 59 7.871 7.029 0.842 1
1 685 . 3 1 1 A 59 59 TYR HA H 59 4.381 4.454 -0.073 1
1 692 . 3 1 1 A 59 59 TYR C C 59 176.577 178.817 -2.240 1
1 693 . 3 1 1 A 59 59 TYR CA C 59 59.112 60.581 -1.469 1
1 694 . 3 1 1 A 59 59 TYR CB C 59 38.382 39.137 -0.755 1
1 699 . 3 1 1 A 59 59 TYR N N 59 121.466 118.554 2.912 1
1 700 . 3 1 1 A 60 60 GLN H H 60 8.074 8.521 -0.447 1
1 701 . 3 1 1 A 60 60 GLN HA H 60 4.103 4.111 -0.008 1
1 708 . 3 1 1 A 60 60 GLN C C 60 176.334 177.265 -0.931 1
1 709 . 3 1 1 A 60 60 GLN CA C 60 56.820 58.357 -1.537 1
1 710 . 3 1 1 A 60 60 GLN CB C 60 29.003 28.282 0.721 1
1 712 . 3 1 1 A 60 60 GLN N N 60 120.517 117.420 3.097 1
1 714 . 3 1 1 A 61 61 TYR H H 61 8.001 7.937 0.064 1
1 715 . 3 1 1 A 61 61 TYR HA H 61 4.544 4.445 0.099 1
1 722 . 3 1 1 A 61 61 TYR C C 61 176.456 176.157 0.299 1
1 723 . 3 1 1 A 61 61 TYR CA C 61 58.442 59.478 -1.036 1
1 724 . 3 1 1 A 61 61 TYR CB C 61 38.408 39.620 -1.212 1
1 729 . 3 1 1 A 61 61 TYR N N 61 119.641 118.641 1.000 1
1 730 . 3 1 1 A 62 62 SER H H 62 8.071 7.359 0.712 1
1 731 . 3 1 1 A 62 62 SER HA H 62 4.371 4.494 -0.123 1
1 734 . 3 1 1 A 62 62 SER C C 62 174.440 175.376 -0.936 1
1 735 . 3 1 1 A 62 62 SER CA C 62 58.830 58.874 -0.044 1
1 736 . 3 1 1 A 62 62 SER CB C 62 63.806 64.189 -0.383 1
1 737 . 3 1 1 A 62 62 SER N N 62 116.272 114.211 2.061 1
1 738 . 3 1 1 A 63 63 ASN HA H 63 4.737 4.610 0.127 1
1 743 . 3 1 1 A 63 63 ASN CA C 63 50.823 56.092 -5.269 1
1 744 . 3 1 1 A 63 63 ASN CB C 63 38.920 38.012 0.908 1
1 746 . 3 1 1 A 64 64 SER HA H 64 4.407 4.383 0.024 1
1 749 . 3 1 1 A 64 64 SER C C 64 174.610 174.685 -0.075 1
1 750 . 3 1 1 A 64 64 SER CA C 64 58.794 59.249 -0.455 1
1 751 . 3 1 1 A 64 64 SER CB C 64 63.727 63.372 0.355 1
1 752 . 3 1 1 A 65 65 ARG H H 65 8.263 8.279 -0.016 1
1 753 . 3 1 1 A 65 65 ARG HA H 65 4.405 4.754 -0.349 1
1 760 . 3 1 1 A 65 65 ARG C C 65 176.310 177.398 -1.088 1
1 761 . 3 1 1 A 65 65 ARG CA C 65 56.185 54.631 1.554 1
1 762 . 3 1 1 A 65 65 ARG CB C 65 30.643 32.469 -1.826 1
1 765 . 3 1 1 A 65 65 ARG N N 65 122.520 122.641 -0.121 1
1 766 . 3 1 1 A 66 66 SER H H 66 8.253 8.707 -0.454 1
1 767 . 3 1 1 A 66 66 SER HA H 66 4.507 4.262 0.245 1
1 770 . 3 1 1 A 66 66 SER C C 66 174.489 175.198 -0.709 1
1 771 . 3 1 1 A 66 66 SER CA C 66 58.320 60.273 -1.953 1
1 772 . 3 1 1 A 66 66 SER CB C 66 63.974 63.539 0.435 1
1 773 . 3 1 1 A 66 66 SER N N 66 116.498 115.028 1.470 1
1 774 . 3 1 1 A 67 67 GLY H H 67 8.201 7.754 0.447 1
1 775 . 3 1 1 A 67 67 GLY HA2 H 67 4.113 4.065 0.048 1
1 776 . 3 1 1 A 67 67 GLY C C 67 171.769 174.733 -2.964 1
1 777 . 3 1 1 A 67 67 GLY CA C 67 44.689 45.345 -0.656 1
1 778 . 3 1 1 A 67 67 GLY N N 67 110.648 108.870 1.778 1
1 781 . 3 1 1 A 69 69 SER HA H 69 4.481 4.361 0.120 1
1 784 . 3 1 1 A 69 69 SER C C 69 174.659 174.531 0.128 1
1 785 . 3 1 1 A 69 69 SER CA C 69 58.371 58.450 -0.079 1
1 786 . 3 1 1 A 69 69 SER CB C 69 63.645 63.973 -0.328 1
1 787 . 3 1 1 A 70 70 SER H H 70 8.303 8.954 -0.651 1
1 788 . 3 1 1 A 70 70 SER HA H 70 4.473 4.109 0.364 1
1 791 . 3 1 1 A 70 70 SER C C 70 173.930 173.824 0.106 1
1 792 . 3 1 1 A 70 70 SER CA C 70 58.406 59.202 -0.796 1
1 793 . 3 1 1 A 70 70 SER CB C 70 64.057 62.196 1.861 1
1 794 . 3 1 1 A 70 70 SER N N 70 117.757 116.963 0.794 1
1 1 . 4 1 1 A 7 7 GLY HA2 H 7 3.980 4.020 -0.040 1
1 2 . 4 1 1 A 7 7 GLY HA3 H 7 3.980 4.021 -0.041 1
1 3 . 4 1 1 A 7 7 GLY C C 7 173.809 172.753 1.056 1
1 4 . 4 1 1 A 7 7 GLY CA C 7 45.148 44.897 0.251 1
1 5 . 4 1 1 A 8 8 SER H H 8 8.167 8.415 -0.248 1
1 6 . 4 1 1 A 8 8 SER C C 8 172.741 172.292 0.449 1
1 7 . 4 1 1 A 8 8 SER CA C 8 56.432 55.775 0.657 1
1 8 . 4 1 1 A 8 8 SER CB C 8 63.397 64.705 -1.308 1
1 9 . 4 1 1 A 8 8 SER N N 8 116.986 115.448 1.538 1
1 10 . 4 1 1 A 9 9 PRO HA H 9 4.471 4.622 -0.151 1
1 17 . 4 1 1 A 9 9 PRO C C 9 176.771 175.423 1.348 1
1 18 . 4 1 1 A 9 9 PRO CA C 9 63.244 62.234 1.010 1
1 19 . 4 1 1 A 9 9 PRO CB C 9 32.121 32.918 -0.797 1
1 22 . 4 1 1 A 10 10 ILE H H 10 8.173 8.411 -0.238 1
1 23 . 4 1 1 A 10 10 ILE HA H 10 4.084 4.755 -0.671 1
1 33 . 4 1 1 A 10 10 ILE C C 10 175.703 175.447 0.256 1
1 34 . 4 1 1 A 10 10 ILE CA C 10 61.051 59.933 1.118 1
1 35 . 4 1 1 A 10 10 ILE CB C 10 38.806 40.383 -1.577 1
1 39 . 4 1 1 A 10 10 ILE N N 10 120.782 120.901 -0.119 1
1 40 . 4 1 1 A 11 11 ASN H H 11 8.538 8.416 0.122 1
1 41 . 4 1 1 A 11 11 ASN HA H 11 4.992 5.332 -0.340 1
1 46 . 4 1 1 A 11 11 ASN C C 11 173.785 174.028 -0.243 1
1 47 . 4 1 1 A 11 11 ASN CA C 11 50.794 49.965 0.829 1
1 48 . 4 1 1 A 11 11 ASN CB C 11 39.063 39.977 -0.914 1
1 49 . 4 1 1 A 11 11 ASN N N 11 123.456 124.328 -0.872 1
1 51 . 4 1 1 A 12 12 PRO HA H 12 4.328 4.341 -0.013 1
1 58 . 4 1 1 A 12 12 PRO C C 12 176.674 177.503 -0.829 1
1 59 . 4 1 1 A 12 12 PRO CA C 12 63.616 65.250 -1.634 1
1 60 . 4 1 1 A 12 12 PRO CB C 12 31.997 31.866 0.131 1
1 63 . 4 1 1 A 13 13 TYR H H 13 7.994 7.961 0.033 1
1 64 . 4 1 1 A 13 13 TYR HA H 13 4.574 4.842 -0.268 1
1 71 . 4 1 1 A 13 13 TYR C C 13 176.237 177.447 -1.210 1
1 72 . 4 1 1 A 13 13 TYR CA C 13 57.866 58.660 -0.794 1
1 73 . 4 1 1 A 13 13 TYR CB C 13 38.013 39.985 -1.972 1
1 78 . 4 1 1 A 13 13 TYR N N 13 118.352 116.058 2.294 1
1 79 . 4 1 1 A 14 14 LYS H H 14 7.727 7.475 0.252 1
1 80 . 4 1 1 A 14 14 LYS HA H 14 4.131 3.848 0.283 1
1 88 . 4 1 1 A 14 14 LYS C C 14 176.626 178.117 -1.491 1
1 89 . 4 1 1 A 14 14 LYS CA C 14 57.704 59.022 -1.318 1
1 90 . 4 1 1 A 14 14 LYS CB C 14 33.154 31.878 1.276 1
1 94 . 4 1 1 A 14 14 LYS N N 14 121.585 121.892 -0.307 1
1 95 . 4 1 1 A 15 15 ASP H H 15 8.374 8.338 0.036 1
1 96 . 4 1 1 A 15 15 ASP HA H 15 4.620 4.308 0.312 1
1 99 . 4 1 1 A 15 15 ASP C C 15 174.125 178.959 -4.834 1
1 100 . 4 1 1 A 15 15 ASP CA C 15 54.763 56.822 -2.059 1
1 101 . 4 1 1 A 15 15 ASP CB C 15 40.533 40.492 0.041 1
1 102 . 4 1 1 A 15 15 ASP N N 15 119.870 118.502 1.368 1
1 103 . 4 1 1 A 16 16 HIS H H 16 8.034 7.850 0.184 1
1 104 . 4 1 1 A 16 16 HIS HA H 16 4.419 4.288 0.131 1
1 109 . 4 1 1 A 16 16 HIS CA C 16 58.742 59.102 -0.360 1
1 110 . 4 1 1 A 16 16 HIS CB C 16 30.675 29.600 1.075 1
1 113 . 4 1 1 A 16 16 HIS N N 16 124.264 117.274 6.990 1
1 114 . 4 1 1 A 17 17 MET H H 17 8.049 7.939 0.110 1
1 115 . 4 1 1 A 17 17 MET HA H 17 4.160 3.959 0.201 1
1 123 . 4 1 1 A 17 17 MET CA C 17 57.275 57.961 -0.686 1
1 124 . 4 1 1 A 17 17 MET CB C 17 31.055 33.397 -2.342 1
1 127 . 4 1 1 A 17 17 MET N N 17 117.829 117.848 -0.019 1
1 128 . 4 1 1 A 18 18 SER HA H 18 4.134 4.095 0.039 1
1 131 . 4 1 1 A 18 18 SER C C 18 176.941 176.508 0.433 1
1 132 . 4 1 1 A 18 18 SER CA C 18 61.889 62.366 -0.477 1
1 133 . 4 1 1 A 18 18 SER CB C 18 62.424 62.512 -0.088 1
1 134 . 4 1 1 A 19 19 VAL H H 19 7.568 8.149 -0.581 1
1 135 . 4 1 1 A 19 19 VAL HA H 19 3.809 3.463 0.346 1
1 143 . 4 1 1 A 19 19 VAL C C 19 177.913 177.614 0.299 1
1 144 . 4 1 1 A 19 19 VAL CA C 19 65.637 65.459 0.178 1
1 145 . 4 1 1 A 19 19 VAL CB C 19 31.737 31.404 0.333 1
1 148 . 4 1 1 A 19 19 VAL N N 19 122.341 120.203 2.138 1
1 149 . 4 1 1 A 20 20 LEU H H 20 7.788 7.567 0.221 1
1 150 . 4 1 1 A 20 20 LEU HA H 20 3.940 4.149 -0.209 1
1 160 . 4 1 1 A 20 20 LEU C C 20 178.520 179.223 -0.703 1
1 161 . 4 1 1 A 20 20 LEU CA C 20 58.336 57.828 0.508 1
1 162 . 4 1 1 A 20 20 LEU CB C 20 39.138 41.109 -1.971 1
1 166 . 4 1 1 A 20 20 LEU N N 20 120.156 121.580 -1.424 1
1 167 . 4 1 1 A 21 21 LYS H H 21 8.067 8.232 -0.165 1
1 168 . 4 1 1 A 21 21 LYS HA H 21 4.047 4.462 -0.415 1
1 175 . 4 1 1 A 21 21 LYS C C 21 179.102 178.675 0.427 1
1 176 . 4 1 1 A 21 21 LYS CA C 21 60.667 58.817 1.850 1
1 177 . 4 1 1 A 21 21 LYS CB C 21 32.519 32.178 0.341 1
1 181 . 4 1 1 A 21 21 LYS N N 21 117.374 117.540 -0.166 1
1 182 . 4 1 1 A 22 22 ALA H H 22 7.718 8.303 -0.585 1
1 183 . 4 1 1 A 22 22 ALA HA H 22 4.217 4.221 -0.004 1
1 187 . 4 1 1 A 22 22 ALA C C 22 180.486 179.397 1.089 1
1 188 . 4 1 1 A 22 22 ALA CA C 22 54.954 54.794 0.160 1
1 189 . 4 1 1 A 22 22 ALA CB C 22 17.934 18.398 -0.464 1
1 190 . 4 1 1 A 22 22 ALA N N 22 122.528 122.332 0.196 1
1 191 . 4 1 1 A 23 23 TYR H H 23 8.036 7.484 0.552 1
1 192 . 4 1 1 A 23 23 TYR HA H 23 4.291 4.297 -0.006 1
1 199 . 4 1 1 A 23 23 TYR C C 23 178.860 178.484 0.376 1
1 200 . 4 1 1 A 23 23 TYR CA C 23 62.616 61.631 0.985 1
1 201 . 4 1 1 A 23 23 TYR CB C 23 38.455 38.264 0.191 1
1 206 . 4 1 1 A 23 23 TYR N N 23 117.835 116.370 1.465 1
1 207 . 4 1 1 A 24 24 TYR H H 24 8.856 8.135 0.721 1
1 208 . 4 1 1 A 24 24 TYR HA H 24 4.420 4.841 -0.421 1
1 215 . 4 1 1 A 24 24 TYR C C 24 175.484 177.847 -2.363 1
1 216 . 4 1 1 A 24 24 TYR CA C 24 61.291 61.628 -0.337 1
1 217 . 4 1 1 A 24 24 TYR CB C 24 38.629 38.788 -0.159 1
1 222 . 4 1 1 A 24 24 TYR N N 24 122.534 120.790 1.744 1
1 223 . 4 1 1 A 25 25 ALA H H 25 7.616 8.184 -0.568 1
1 224 . 4 1 1 A 25 25 ALA HA H 25 4.084 4.197 -0.113 1
1 228 . 4 1 1 A 25 25 ALA C C 25 179.224 179.763 -0.539 1
1 229 . 4 1 1 A 25 25 ALA CA C 25 53.893 55.361 -1.468 1
1 230 . 4 1 1 A 25 25 ALA CB C 25 18.433 18.377 0.056 1
1 231 . 4 1 1 A 25 25 ALA N N 25 116.147 121.689 -5.542 1
1 232 . 4 1 1 A 26 26 MET H H 26 7.379 7.941 -0.562 1
1 233 . 4 1 1 A 26 26 MET HA H 26 4.353 4.535 -0.182 1
1 241 . 4 1 1 A 26 26 MET C C 26 176.529 176.022 0.507 1
1 242 . 4 1 1 A 26 26 MET CA C 26 56.724 57.650 -0.926 1
1 243 . 4 1 1 A 26 26 MET CB C 26 33.645 34.053 -0.408 1
1 246 . 4 1 1 A 26 26 MET N N 26 114.990 115.262 -0.272 1
1 247 . 4 1 1 A 27 27 ASN H H 27 7.865 7.831 0.034 1
1 248 . 4 1 1 A 27 27 ASN HA H 27 4.562 5.069 -0.507 1
1 253 . 4 1 1 A 27 27 ASN C C 27 173.323 175.201 -1.878 1
1 254 . 4 1 1 A 27 27 ASN CA C 27 53.143 51.796 1.347 1
1 255 . 4 1 1 A 27 27 ASN CB C 27 38.096 41.114 -3.018 1
1 256 . 4 1 1 A 27 27 ASN N N 27 117.385 116.462 0.923 1
1 258 . 4 1 1 A 28 28 MET H H 28 8.400 8.279 0.121 1
1 259 . 4 1 1 A 28 28 MET HA H 28 4.064 3.721 0.343 1
1 267 . 4 1 1 A 28 28 MET C C 28 175.557 176.256 -0.699 1
1 268 . 4 1 1 A 28 28 MET CA C 28 57.419 57.941 -0.522 1
1 269 . 4 1 1 A 28 28 MET CB C 28 33.795 33.427 0.368 1
1 272 . 4 1 1 A 28 28 MET N N 28 121.660 122.603 -0.943 1
1 273 . 4 1 1 A 29 29 GLU H H 29 7.821 7.756 0.065 1
1 274 . 4 1 1 A 29 29 GLU HA H 29 4.757 4.721 0.036 1
1 279 . 4 1 1 A 29 29 GLU C C 29 172.328 174.451 -2.123 1
1 280 . 4 1 1 A 29 29 GLU CA C 29 53.293 53.551 -0.258 1
1 281 . 4 1 1 A 29 29 GLU CB C 29 30.761 30.815 -0.054 1
1 283 . 4 1 1 A 29 29 GLU N N 29 116.541 113.873 2.668 1
1 284 . 4 1 1 A 30 30 PRO HA H 30 4.475 4.421 0.054 1
1 291 . 4 1 1 A 30 30 PRO C C 30 177.014 176.362 0.652 1
1 292 . 4 1 1 A 30 30 PRO CA C 30 62.603 62.199 0.404 1
1 293 . 4 1 1 A 30 30 PRO CB C 30 31.915 32.438 -0.523 1
1 296 . 4 1 1 A 31 31 ASN H H 31 8.909 8.298 0.611 1
1 297 . 4 1 1 A 31 31 ASN HA H 31 4.673 4.904 -0.231 1
1 302 . 4 1 1 A 31 31 ASN C C 31 175.460 175.487 -0.027 1
1 303 . 4 1 1 A 31 31 ASN CA C 31 51.303 51.398 -0.095 1
1 304 . 4 1 1 A 31 31 ASN CB C 31 38.261 39.512 -1.251 1
1 305 . 4 1 1 A 31 31 ASN N N 31 120.499 119.459 1.040 1
1 307 . 4 1 1 A 32 32 SER H H 32 8.486 9.021 -0.535 1
1 308 . 4 1 1 A 32 32 SER HA H 32 4.024 4.057 -0.033 1
1 311 . 4 1 1 A 32 32 SER C C 32 176.650 176.254 0.396 1
1 312 . 4 1 1 A 32 32 SER CA C 32 62.621 61.603 1.018 1
1 313 . 4 1 1 A 32 32 SER CB C 32 62.675 63.053 -0.378 1
1 314 . 4 1 1 A 32 32 SER N N 32 112.460 116.893 -4.433 1
1 315 . 4 1 1 A 33 33 ASP H H 33 7.935 8.354 -0.419 1
1 316 . 4 1 1 A 33 33 ASP HA H 33 4.441 4.272 0.169 1
1 319 . 4 1 1 A 33 33 ASP C C 33 178.811 179.073 -0.262 1
1 320 . 4 1 1 A 33 33 ASP CA C 33 57.456 57.613 -0.157 1
1 321 . 4 1 1 A 33 33 ASP CB C 33 40.870 40.391 0.479 1
1 322 . 4 1 1 A 33 33 ASP N N 33 122.575 122.129 0.446 1
1 323 . 4 1 1 A 34 34 GLU H H 34 8.442 7.791 0.651 1
1 324 . 4 1 1 A 34 34 GLU HA H 34 3.898 3.933 -0.035 1
1 329 . 4 1 1 A 34 34 GLU C C 34 179.127 178.984 0.143 1
1 330 . 4 1 1 A 34 34 GLU CA C 34 59.041 59.217 -0.176 1
1 331 . 4 1 1 A 34 34 GLU CB C 34 29.854 29.376 0.478 1
1 333 . 4 1 1 A 34 34 GLU N N 34 121.743 119.239 2.504 1
1 334 . 4 1 1 A 35 35 LEU H H 35 8.723 8.424 0.299 1
1 335 . 4 1 1 A 35 35 LEU HA H 35 3.735 3.769 -0.034 1
1 345 . 4 1 1 A 35 35 LEU C C 35 179.321 178.911 0.410 1
1 346 . 4 1 1 A 35 35 LEU CA C 35 58.118 58.040 0.078 1
1 347 . 4 1 1 A 35 35 LEU CB C 35 42.428 41.596 0.832 1
1 351 . 4 1 1 A 35 35 LEU N N 35 119.674 120.822 -1.148 1
1 352 . 4 1 1 A 36 36 LEU H H 36 7.651 8.350 -0.699 1
1 353 . 4 1 1 A 36 36 LEU HA H 36 4.039 3.926 0.113 1
1 363 . 4 1 1 A 36 36 LEU C C 36 178.908 178.499 0.409 1
1 364 . 4 1 1 A 36 36 LEU CA C 36 58.414 58.786 -0.372 1
1 365 . 4 1 1 A 36 36 LEU CB C 36 41.040 41.965 -0.925 1
1 369 . 4 1 1 A 36 36 LEU N N 36 121.058 119.920 1.138 1
1 370 . 4 1 1 A 37 37 LYS H H 37 7.704 7.662 0.042 1
1 371 . 4 1 1 A 37 37 LYS HA H 37 3.874 3.905 -0.031 1
1 379 . 4 1 1 A 37 37 LYS C C 37 180.025 178.918 1.107 1
1 380 . 4 1 1 A 37 37 LYS CA C 37 60.345 59.284 1.061 1
1 381 . 4 1 1 A 37 37 LYS CB C 37 32.327 32.286 0.041 1
1 385 . 4 1 1 A 37 37 LYS N N 37 119.032 117.729 1.303 1
1 386 . 4 1 1 A 38 38 ILE H H 38 8.413 8.217 0.196 1
1 387 . 4 1 1 A 38 38 ILE HA H 38 3.296 3.591 -0.295 1
1 397 . 4 1 1 A 38 38 ILE C C 38 177.063 177.986 -0.923 1
1 398 . 4 1 1 A 38 38 ILE CA C 38 65.479 65.319 0.160 1
1 399 . 4 1 1 A 38 38 ILE CB C 38 38.384 37.709 0.675 1
1 403 . 4 1 1 A 38 38 ILE N N 38 120.466 121.013 -0.547 1
1 404 . 4 1 1 A 39 39 SER H H 39 8.183 8.028 0.155 1
1 405 . 4 1 1 A 39 39 SER HA H 39 4.047 4.369 -0.322 1
1 408 . 4 1 1 A 39 39 SER C C 39 176.359 176.618 -0.259 1
1 409 . 4 1 1 A 39 39 SER CA C 39 62.620 61.926 0.694 1
1 410 . 4 1 1 A 39 39 SER CB C 39 62.548 63.182 -0.634 1
1 411 . 4 1 1 A 39 39 SER N N 39 115.371 115.467 -0.096 1
1 412 . 4 1 1 A 40 40 ILE H H 40 7.983 8.108 -0.125 1
1 413 . 4 1 1 A 40 40 ILE HA H 40 3.785 3.729 0.056 1
1 423 . 4 1 1 A 40 40 ILE C C 40 178.714 178.070 0.644 1
1 424 . 4 1 1 A 40 40 ILE CA C 40 64.307 65.314 -1.007 1
1 425 . 4 1 1 A 40 40 ILE CB C 40 38.440 37.813 0.627 1
1 429 . 4 1 1 A 40 40 ILE N N 40 121.913 123.354 -1.441 1
1 430 . 4 1 1 A 41 41 ALA H H 41 7.886 8.822 -0.936 1
1 431 . 4 1 1 A 41 41 ALA HA H 41 4.157 4.025 0.132 1
1 435 . 4 1 1 A 41 41 ALA C C 41 180.147 179.296 0.851 1
1 436 . 4 1 1 A 41 41 ALA CA C 41 55.268 55.173 0.095 1
1 437 . 4 1 1 A 41 41 ALA CB C 41 18.646 18.706 -0.060 1
1 438 . 4 1 1 A 41 41 ALA N N 41 122.775 121.986 0.789 1
1 439 . 4 1 1 A 42 42 VAL H H 42 8.268 7.612 0.656 1
1 440 . 4 1 1 A 42 42 VAL HA H 42 4.352 4.097 0.255 1
1 448 . 4 1 1 A 42 42 VAL C C 42 175.849 177.067 -1.218 1
1 449 . 4 1 1 A 42 42 VAL CA C 42 61.352 62.661 -1.309 1
1 450 . 4 1 1 A 42 42 VAL CB C 42 32.632 33.382 -0.750 1
1 453 . 4 1 1 A 42 42 VAL N N 42 108.944 110.524 -1.580 1
1 454 . 4 1 1 A 43 43 GLY H H 43 7.837 8.043 -0.206 1
1 455 . 4 1 1 A 43 43 GLY HA2 H 43 3.937 3.965 -0.028 1
1 456 . 4 1 1 A 43 43 GLY HA3 H 43 3.852 3.967 -0.115 1
1 457 . 4 1 1 A 43 43 GLY C C 43 174.392 174.358 0.034 1
1 458 . 4 1 1 A 43 43 GLY CA C 43 46.770 44.870 1.900 1
1 459 . 4 1 1 A 43 43 GLY N N 43 110.644 111.727 -1.083 1
1 460 . 4 1 1 A 44 44 LEU H H 44 7.483 7.591 -0.108 1
1 461 . 4 1 1 A 44 44 LEU HA H 44 4.833 4.408 0.425 1
1 471 . 4 1 1 A 44 44 LEU C C 44 173.348 174.723 -1.375 1
1 472 . 4 1 1 A 44 44 LEU CA C 44 51.178 53.095 -1.917 1
1 473 . 4 1 1 A 44 44 LEU CB C 44 45.096 41.069 4.027 1
1 477 . 4 1 1 A 44 44 LEU N N 44 118.486 123.055 -4.569 1
1 478 . 4 1 1 A 45 45 PRO HA H 45 4.447 4.687 -0.240 1
1 485 . 4 1 1 A 45 45 PRO C C 45 178.301 177.907 0.394 1
1 486 . 4 1 1 A 45 45 PRO CA C 45 62.740 62.798 -0.058 1
1 487 . 4 1 1 A 45 45 PRO CB C 45 32.626 32.117 0.509 1
1 490 . 4 1 1 A 46 46 GLN H H 46 9.200 9.012 0.188 1
1 491 . 4 1 1 A 46 46 GLN HA H 46 4.007 4.373 -0.366 1
1 498 . 4 1 1 A 46 46 GLN C C 46 177.718 177.889 -0.171 1
1 499 . 4 1 1 A 46 46 GLN CA C 46 60.099 59.230 0.869 1
1 500 . 4 1 1 A 46 46 GLN CB C 46 28.371 28.440 -0.069 1
1 502 . 4 1 1 A 46 46 GLN N N 46 125.692 124.022 1.670 1
1 504 . 4 1 1 A 47 47 GLU H H 47 9.618 8.277 1.341 1
1 505 . 4 1 1 A 47 47 GLU HA H 47 4.036 4.115 -0.079 1
1 510 . 4 1 1 A 47 47 GLU C C 47 178.860 178.889 -0.029 1
1 511 . 4 1 1 A 47 47 GLU CA C 47 60.029 59.231 0.798 1
1 512 . 4 1 1 A 47 47 GLU CB C 47 28.746 29.502 -0.756 1
1 514 . 4 1 1 A 47 47 GLU N N 47 117.907 119.346 -1.439 1
1 515 . 4 1 1 A 48 48 PHE H H 48 7.194 8.153 -0.959 1
1 516 . 4 1 1 A 48 48 PHE HA H 48 4.385 4.272 0.113 1
1 524 . 4 1 1 A 48 48 PHE C C 48 177.524 177.522 0.002 1
1 525 . 4 1 1 A 48 48 PHE CA C 48 60.699 61.317 -0.618 1
1 526 . 4 1 1 A 48 48 PHE CB C 48 39.190 39.422 -0.232 1
1 532 . 4 1 1 A 48 48 PHE N N 48 119.141 122.312 -3.171 1
1 533 . 4 1 1 A 49 49 VAL H H 49 7.761 8.546 -0.785 1
1 534 . 4 1 1 A 49 49 VAL HA H 49 3.509 4.060 -0.551 1
1 542 . 4 1 1 A 49 49 VAL C C 49 177.306 178.100 -0.794 1
1 543 . 4 1 1 A 49 49 VAL CA C 49 67.242 67.133 0.109 1
1 544 . 4 1 1 A 49 49 VAL CB C 49 31.844 31.792 0.052 1
1 547 . 4 1 1 A 49 49 VAL N N 49 120.478 119.757 0.721 1
1 548 . 4 1 1 A 50 50 LYS H H 50 8.751 8.340 0.411 1
1 549 . 4 1 1 A 50 50 LYS HA H 50 4.023 4.094 -0.071 1
1 557 . 4 1 1 A 50 50 LYS C C 50 178.593 178.897 -0.304 1
1 558 . 4 1 1 A 50 50 LYS CA C 50 60.274 60.071 0.203 1
1 559 . 4 1 1 A 50 50 LYS CB C 50 32.821 32.665 0.156 1
1 563 . 4 1 1 A 50 50 LYS N N 50 119.513 120.274 -0.761 1
1 564 . 4 1 1 A 51 51 GLU H H 51 7.636 7.811 -0.175 1
1 565 . 4 1 1 A 51 51 GLU HA H 51 4.110 4.033 0.077 1
1 570 . 4 1 1 A 51 51 GLU C C 51 177.791 179.151 -1.360 1
1 571 . 4 1 1 A 51 51 GLU CA C 51 59.253 59.443 -0.190 1
1 572 . 4 1 1 A 51 51 GLU CB C 51 29.442 29.356 0.086 1
1 574 . 4 1 1 A 51 51 GLU N N 51 118.681 117.486 1.195 1
1 575 . 4 1 1 A 52 52 TRP H H 52 8.396 7.855 0.541 1
1 576 . 4 1 1 A 52 52 TRP HA H 52 3.794 4.325 -0.531 1
1 585 . 4 1 1 A 52 52 TRP C C 52 179.709 178.465 1.244 1
1 586 . 4 1 1 A 52 52 TRP CA C 52 62.688 60.942 1.746 1
1 587 . 4 1 1 A 52 52 TRP CB C 52 28.806 29.627 -0.821 1
1 593 . 4 1 1 A 52 52 TRP N N 52 121.740 122.178 -0.438 1
1 595 . 4 1 1 A 53 53 PHE H H 53 8.602 8.322 0.280 1
1 596 . 4 1 1 A 53 53 PHE HA H 53 3.899 4.365 -0.466 1
1 604 . 4 1 1 A 53 53 PHE C C 53 179.297 178.575 0.722 1
1 605 . 4 1 1 A 53 53 PHE CA C 53 63.414 61.731 1.683 1
1 606 . 4 1 1 A 53 53 PHE CB C 53 39.480 38.965 0.515 1
1 612 . 4 1 1 A 53 53 PHE N N 53 117.648 117.551 0.097 1
1 613 . 4 1 1 A 54 54 GLU H H 54 8.372 8.692 -0.320 1
1 614 . 4 1 1 A 54 54 GLU HA H 54 4.070 3.890 0.180 1
1 619 . 4 1 1 A 54 54 GLU C C 54 179.540 178.941 0.599 1
1 620 . 4 1 1 A 54 54 GLU CA C 54 59.676 60.123 -0.447 1
1 621 . 4 1 1 A 54 54 GLU CB C 54 29.448 29.303 0.145 1
1 623 . 4 1 1 A 54 54 GLU N N 54 120.198 118.554 1.644 1
1 624 . 4 1 1 A 55 55 GLN H H 55 8.275 8.459 -0.184 1
1 625 . 4 1 1 A 55 55 GLN HA H 55 3.975 3.713 0.262 1
1 632 . 4 1 1 A 55 55 GLN C C 55 177.913 178.545 -0.632 1
1 633 . 4 1 1 A 55 55 GLN CA C 55 57.773 59.072 -1.299 1
1 634 . 4 1 1 A 55 55 GLN CB C 55 28.075 28.162 -0.087 1
1 636 . 4 1 1 A 55 55 GLN N N 55 117.674 118.671 -0.997 1
1 638 . 4 1 1 A 56 56 ARG H H 56 7.413 7.864 -0.451 1
1 639 . 4 1 1 A 56 56 ARG HA H 56 3.727 4.063 -0.336 1
1 646 . 4 1 1 A 56 56 ARG C C 56 177.670 178.807 -1.137 1
1 647 . 4 1 1 A 56 56 ARG CA C 56 57.278 59.486 -2.208 1
1 648 . 4 1 1 A 56 56 ARG CB C 56 29.564 29.951 -0.387 1
1 651 . 4 1 1 A 56 56 ARG N N 56 119.111 119.697 -0.586 1
1 652 . 4 1 1 A 57 57 LYS H H 57 7.468 7.571 -0.103 1
1 653 . 4 1 1 A 57 57 LYS HA H 57 4.215 4.349 -0.134 1
1 662 . 4 1 1 A 57 57 LYS C C 57 177.937 179.302 -1.365 1
1 663 . 4 1 1 A 57 57 LYS CA C 57 58.454 59.480 -1.026 1
1 664 . 4 1 1 A 57 57 LYS CB C 57 32.656 32.465 0.191 1
1 668 . 4 1 1 A 57 57 LYS N N 57 118.984 119.626 -0.642 1
1 669 . 4 1 1 A 58 58 VAL H H 58 7.564 7.462 0.102 1
1 670 . 4 1 1 A 58 58 VAL HA H 58 3.866 3.666 0.200 1
1 678 . 4 1 1 A 58 58 VAL C C 58 177.306 177.434 -0.128 1
1 679 . 4 1 1 A 58 58 VAL CA C 58 64.013 65.538 -1.525 1
1 680 . 4 1 1 A 58 58 VAL CB C 58 32.128 31.391 0.737 1
1 683 . 4 1 1 A 58 58 VAL N N 58 118.037 119.696 -1.659 1
1 684 . 4 1 1 A 59 59 TYR H H 59 7.871 6.608 1.263 1
1 685 . 4 1 1 A 59 59 TYR HA H 59 4.381 4.492 -0.111 1
1 692 . 4 1 1 A 59 59 TYR C C 59 176.577 178.152 -1.575 1
1 693 . 4 1 1 A 59 59 TYR CA C 59 59.112 60.227 -1.115 1
1 694 . 4 1 1 A 59 59 TYR CB C 59 38.382 39.409 -1.027 1
1 699 . 4 1 1 A 59 59 TYR N N 59 121.466 118.356 3.110 1
1 700 . 4 1 1 A 60 60 GLN H H 60 8.074 8.675 -0.601 1
1 701 . 4 1 1 A 60 60 GLN HA H 60 4.103 3.885 0.218 1
1 708 . 4 1 1 A 60 60 GLN C C 60 176.334 178.653 -2.319 1
1 709 . 4 1 1 A 60 60 GLN CA C 60 56.820 58.928 -2.108 1
1 710 . 4 1 1 A 60 60 GLN CB C 60 29.003 28.183 0.820 1
1 712 . 4 1 1 A 60 60 GLN N N 60 120.517 118.079 2.438 1
1 714 . 4 1 1 A 61 61 TYR H H 61 8.001 7.816 0.185 1
1 715 . 4 1 1 A 61 61 TYR HA H 61 4.544 4.312 0.232 1
1 722 . 4 1 1 A 61 61 TYR C C 61 176.456 175.668 0.788 1
1 723 . 4 1 1 A 61 61 TYR CA C 61 58.442 60.737 -2.295 1
1 724 . 4 1 1 A 61 61 TYR CB C 61 38.408 38.348 0.060 1
1 729 . 4 1 1 A 61 61 TYR N N 61 119.641 120.444 -0.803 1
1 730 . 4 1 1 A 62 62 SER H H 62 8.071 7.815 0.256 1
1 731 . 4 1 1 A 62 62 SER HA H 62 4.371 4.595 -0.224 1
1 734 . 4 1 1 A 62 62 SER C C 62 174.440 174.790 -0.350 1
1 735 . 4 1 1 A 62 62 SER CA C 62 58.830 59.098 -0.268 1
1 736 . 4 1 1 A 62 62 SER CB C 62 63.806 61.848 1.958 1
1 737 . 4 1 1 A 62 62 SER N N 62 116.272 114.613 1.659 1
1 738 . 4 1 1 A 63 63 ASN HA H 63 4.737 4.579 0.158 1
1 743 . 4 1 1 A 63 63 ASN CA C 63 50.823 55.523 -4.700 1
1 744 . 4 1 1 A 63 63 ASN CB C 63 38.920 39.619 -0.699 1
1 746 . 4 1 1 A 64 64 SER HA H 64 4.407 4.747 -0.340 1
1 749 . 4 1 1 A 64 64 SER C C 64 174.610 172.852 1.758 1
1 750 . 4 1 1 A 64 64 SER CA C 64 58.794 57.214 1.580 1
1 751 . 4 1 1 A 64 64 SER CB C 64 63.727 65.401 -1.674 1
1 752 . 4 1 1 A 65 65 ARG H H 65 8.263 8.807 -0.544 1
1 753 . 4 1 1 A 65 65 ARG HA H 65 4.405 5.256 -0.851 1
1 760 . 4 1 1 A 65 65 ARG C C 65 176.310 174.337 1.973 1
1 761 . 4 1 1 A 65 65 ARG CA C 65 56.185 53.923 2.262 1
1 762 . 4 1 1 A 65 65 ARG CB C 65 30.643 34.515 -3.872 1
1 765 . 4 1 1 A 65 65 ARG N N 65 122.520 123.373 -0.853 1
1 766 . 4 1 1 A 66 66 SER H H 66 8.253 8.571 -0.318 1
1 767 . 4 1 1 A 66 66 SER HA H 66 4.507 4.886 -0.379 1
1 770 . 4 1 1 A 66 66 SER C C 66 174.489 173.313 1.176 1
1 771 . 4 1 1 A 66 66 SER CA C 66 58.320 56.272 2.048 1
1 772 . 4 1 1 A 66 66 SER CB C 66 63.974 66.027 -2.053 1
1 773 . 4 1 1 A 66 66 SER N N 66 116.498 114.032 2.466 1
1 774 . 4 1 1 A 67 67 GLY H H 67 8.201 8.518 -0.317 1
1 775 . 4 1 1 A 67 67 GLY HA2 H 67 4.113 3.992 0.121 1
1 776 . 4 1 1 A 67 67 GLY C C 67 171.769 173.214 -1.445 1
1 777 . 4 1 1 A 67 67 GLY CA C 67 44.689 45.348 -0.659 1
1 778 . 4 1 1 A 67 67 GLY N N 67 110.648 113.400 -2.752 1
1 781 . 4 1 1 A 69 69 SER HA H 69 4.481 4.743 -0.262 1
1 784 . 4 1 1 A 69 69 SER C C 69 174.659 174.367 0.292 1
1 785 . 4 1 1 A 69 69 SER CA C 69 58.371 56.994 1.377 1
1 786 . 4 1 1 A 69 69 SER CB C 69 63.645 63.347 0.298 1
1 787 . 4 1 1 A 70 70 SER H H 70 8.303 8.765 -0.462 1
1 788 . 4 1 1 A 70 70 SER HA H 70 4.473 4.174 0.299 1
1 791 . 4 1 1 A 70 70 SER C C 70 173.930 174.491 -0.561 1
1 792 . 4 1 1 A 70 70 SER CA C 70 58.406 61.720 -3.314 1
1 793 . 4 1 1 A 70 70 SER CB C 70 64.057 63.279 0.778 1
1 794 . 4 1 1 A 70 70 SER N N 70 117.757 123.377 -5.620 1
1 1 . 5 1 1 A 7 7 GLY HA2 H 7 3.980 4.083 -0.103 1
1 2 . 5 1 1 A 7 7 GLY HA3 H 7 3.980 4.084 -0.104 1
1 3 . 5 1 1 A 7 7 GLY C C 7 173.809 174.088 -0.279 1
1 4 . 5 1 1 A 7 7 GLY CA C 7 45.148 45.729 -0.581 1
1 5 . 5 1 1 A 8 8 SER H H 8 8.167 7.933 0.234 1
1 6 . 5 1 1 A 8 8 SER C C 8 172.741 171.882 0.859 1
1 7 . 5 1 1 A 8 8 SER CA C 8 56.432 55.611 0.821 1
1 8 . 5 1 1 A 8 8 SER CB C 8 63.397 65.870 -2.473 1
1 9 . 5 1 1 A 8 8 SER N N 8 116.986 115.126 1.860 1
1 10 . 5 1 1 A 9 9 PRO HA H 9 4.471 4.602 -0.131 1
1 17 . 5 1 1 A 9 9 PRO C C 9 176.771 175.271 1.500 1
1 18 . 5 1 1 A 9 9 PRO CA C 9 63.244 62.252 0.992 1
1 19 . 5 1 1 A 9 9 PRO CB C 9 32.121 33.133 -1.012 1
1 22 . 5 1 1 A 10 10 ILE H H 10 8.173 8.364 -0.191 1
1 23 . 5 1 1 A 10 10 ILE HA H 10 4.084 4.805 -0.721 1
1 33 . 5 1 1 A 10 10 ILE C C 10 175.703 175.253 0.450 1
1 34 . 5 1 1 A 10 10 ILE CA C 10 61.051 59.471 1.580 1
1 35 . 5 1 1 A 10 10 ILE CB C 10 38.806 41.674 -2.868 1
1 39 . 5 1 1 A 10 10 ILE N N 10 120.782 120.512 0.270 1
1 40 . 5 1 1 A 11 11 ASN H H 11 8.538 8.604 -0.066 1
1 41 . 5 1 1 A 11 11 ASN HA H 11 4.992 5.250 -0.258 1
1 46 . 5 1 1 A 11 11 ASN C C 11 173.785 174.316 -0.531 1
1 47 . 5 1 1 A 11 11 ASN CA C 11 50.794 49.588 1.206 1
1 48 . 5 1 1 A 11 11 ASN CB C 11 39.063 39.711 -0.648 1
1 49 . 5 1 1 A 11 11 ASN N N 11 123.456 125.081 -1.625 1
1 51 . 5 1 1 A 12 12 PRO HA H 12 4.328 4.333 -0.005 1
1 58 . 5 1 1 A 12 12 PRO C C 12 176.674 177.254 -0.580 1
1 59 . 5 1 1 A 12 12 PRO CA C 12 63.616 65.132 -1.516 1
1 60 . 5 1 1 A 12 12 PRO CB C 12 31.997 31.836 0.161 1
1 63 . 5 1 1 A 13 13 TYR H H 13 7.994 7.862 0.132 1
1 64 . 5 1 1 A 13 13 TYR HA H 13 4.574 4.727 -0.153 1
1 71 . 5 1 1 A 13 13 TYR C C 13 176.237 177.721 -1.484 1
1 72 . 5 1 1 A 13 13 TYR CA C 13 57.866 58.348 -0.482 1
1 73 . 5 1 1 A 13 13 TYR CB C 13 38.013 39.938 -1.925 1
1 78 . 5 1 1 A 13 13 TYR N N 13 118.352 115.993 2.359 1
1 79 . 5 1 1 A 14 14 LYS H H 14 7.727 7.618 0.109 1
1 80 . 5 1 1 A 14 14 LYS HA H 14 4.131 3.920 0.211 1
1 88 . 5 1 1 A 14 14 LYS C C 14 176.626 178.454 -1.828 1
1 89 . 5 1 1 A 14 14 LYS CA C 14 57.704 59.089 -1.385 1
1 90 . 5 1 1 A 14 14 LYS CB C 14 33.154 31.748 1.406 1
1 94 . 5 1 1 A 14 14 LYS N N 14 121.585 122.566 -0.981 1
1 95 . 5 1 1 A 15 15 ASP H H 15 8.374 7.999 0.375 1
1 96 . 5 1 1 A 15 15 ASP HA H 15 4.620 4.304 0.316 1
1 99 . 5 1 1 A 15 15 ASP C C 15 174.125 178.316 -4.191 1
1 100 . 5 1 1 A 15 15 ASP CA C 15 54.763 57.321 -2.558 1
1 101 . 5 1 1 A 15 15 ASP CB C 15 40.533 41.545 -1.012 1
1 102 . 5 1 1 A 15 15 ASP N N 15 119.870 119.332 0.538 1
1 103 . 5 1 1 A 16 16 HIS H H 16 8.034 8.347 -0.313 1
1 104 . 5 1 1 A 16 16 HIS HA H 16 4.419 4.304 0.115 1
1 109 . 5 1 1 A 16 16 HIS CA C 16 58.742 59.135 -0.393 1
1 110 . 5 1 1 A 16 16 HIS CB C 16 30.675 29.438 1.237 1
1 113 . 5 1 1 A 16 16 HIS N N 16 124.264 118.220 6.044 1
1 114 . 5 1 1 A 17 17 MET H H 17 8.049 7.758 0.291 1
1 115 . 5 1 1 A 17 17 MET HA H 17 4.160 3.998 0.162 1
1 123 . 5 1 1 A 17 17 MET CA C 17 57.275 57.889 -0.614 1
1 124 . 5 1 1 A 17 17 MET CB C 17 31.055 33.433 -2.378 1
1 127 . 5 1 1 A 17 17 MET N N 17 117.829 118.032 -0.203 1
1 128 . 5 1 1 A 18 18 SER HA H 18 4.134 4.107 0.027 1
1 131 . 5 1 1 A 18 18 SER C C 18 176.941 176.184 0.757 1
1 132 . 5 1 1 A 18 18 SER CA C 18 61.889 62.454 -0.565 1
1 133 . 5 1 1 A 18 18 SER CB C 18 62.424 62.601 -0.177 1
1 134 . 5 1 1 A 19 19 VAL H H 19 7.568 7.975 -0.407 1
1 135 . 5 1 1 A 19 19 VAL HA H 19 3.809 3.552 0.257 1
1 143 . 5 1 1 A 19 19 VAL C C 19 177.913 177.479 0.434 1
1 144 . 5 1 1 A 19 19 VAL CA C 19 65.637 65.186 0.451 1
1 145 . 5 1 1 A 19 19 VAL CB C 19 31.737 31.544 0.193 1
1 148 . 5 1 1 A 19 19 VAL N N 19 122.341 120.562 1.779 1
1 149 . 5 1 1 A 20 20 LEU H H 20 7.788 7.845 -0.057 1
1 150 . 5 1 1 A 20 20 LEU HA H 20 3.940 4.098 -0.158 1
1 160 . 5 1 1 A 20 20 LEU C C 20 178.520 179.190 -0.670 1
1 161 . 5 1 1 A 20 20 LEU CA C 20 58.336 57.885 0.451 1
1 162 . 5 1 1 A 20 20 LEU CB C 20 39.138 41.010 -1.872 1
1 166 . 5 1 1 A 20 20 LEU N N 20 120.156 121.315 -1.159 1
1 167 . 5 1 1 A 21 21 LYS H H 21 8.067 8.274 -0.207 1
1 168 . 5 1 1 A 21 21 LYS HA H 21 4.047 4.356 -0.309 1
1 175 . 5 1 1 A 21 21 LYS C C 21 179.102 179.189 -0.087 1
1 176 . 5 1 1 A 21 21 LYS CA C 21 60.667 59.141 1.526 1
1 177 . 5 1 1 A 21 21 LYS CB C 21 32.519 32.034 0.485 1
1 181 . 5 1 1 A 21 21 LYS N N 21 117.374 117.893 -0.519 1
1 182 . 5 1 1 A 22 22 ALA H H 22 7.718 7.988 -0.270 1
1 183 . 5 1 1 A 22 22 ALA HA H 22 4.217 4.133 0.084 1
1 187 . 5 1 1 A 22 22 ALA C C 22 180.486 179.379 1.107 1
1 188 . 5 1 1 A 22 22 ALA CA C 22 54.954 54.914 0.040 1
1 189 . 5 1 1 A 22 22 ALA CB C 22 17.934 18.201 -0.267 1
1 190 . 5 1 1 A 22 22 ALA N N 22 122.528 122.176 0.352 1
1 191 . 5 1 1 A 23 23 TYR H H 23 8.036 7.409 0.627 1
1 192 . 5 1 1 A 23 23 TYR HA H 23 4.291 4.355 -0.064 1
1 199 . 5 1 1 A 23 23 TYR C C 23 178.860 178.462 0.398 1
1 200 . 5 1 1 A 23 23 TYR CA C 23 62.616 61.330 1.286 1
1 201 . 5 1 1 A 23 23 TYR CB C 23 38.455 38.505 -0.050 1
1 206 . 5 1 1 A 23 23 TYR N N 23 117.835 116.078 1.757 1
1 207 . 5 1 1 A 24 24 TYR H H 24 8.856 8.113 0.743 1
1 208 . 5 1 1 A 24 24 TYR HA H 24 4.420 4.856 -0.436 1
1 215 . 5 1 1 A 24 24 TYR C C 24 175.484 177.290 -1.806 1
1 216 . 5 1 1 A 24 24 TYR CA C 24 61.291 61.812 -0.521 1
1 217 . 5 1 1 A 24 24 TYR CB C 24 38.629 38.978 -0.349 1
1 222 . 5 1 1 A 24 24 TYR N N 24 122.534 120.755 1.779 1
1 223 . 5 1 1 A 25 25 ALA H H 25 7.616 8.542 -0.926 1
1 224 . 5 1 1 A 25 25 ALA HA H 25 4.084 4.204 -0.120 1
1 228 . 5 1 1 A 25 25 ALA C C 25 179.224 179.832 -0.608 1
1 229 . 5 1 1 A 25 25 ALA CA C 25 53.893 55.571 -1.678 1
1 230 . 5 1 1 A 25 25 ALA CB C 25 18.433 18.789 -0.356 1
1 231 . 5 1 1 A 25 25 ALA N N 25 116.147 121.643 -5.496 1
1 232 . 5 1 1 A 26 26 MET H H 26 7.379 7.813 -0.434 1
1 233 . 5 1 1 A 26 26 MET HA H 26 4.353 4.384 -0.031 1
1 241 . 5 1 1 A 26 26 MET C C 26 176.529 176.180 0.349 1
1 242 . 5 1 1 A 26 26 MET CA C 26 56.724 58.541 -1.817 1
1 243 . 5 1 1 A 26 26 MET CB C 26 33.645 33.389 0.256 1
1 246 . 5 1 1 A 26 26 MET N N 26 114.990 116.244 -1.254 1
1 247 . 5 1 1 A 27 27 ASN H H 27 7.865 7.793 0.072 1
1 248 . 5 1 1 A 27 27 ASN HA H 27 4.562 5.027 -0.465 1
1 253 . 5 1 1 A 27 27 ASN C C 27 173.323 175.345 -2.022 1
1 254 . 5 1 1 A 27 27 ASN CA C 27 53.143 51.645 1.498 1
1 255 . 5 1 1 A 27 27 ASN CB C 27 38.096 40.609 -2.513 1
1 256 . 5 1 1 A 27 27 ASN N N 27 117.385 116.596 0.789 1
1 258 . 5 1 1 A 28 28 MET H H 28 8.400 8.412 -0.012 1
1 259 . 5 1 1 A 28 28 MET HA H 28 4.064 4.013 0.051 1
1 267 . 5 1 1 A 28 28 MET C C 28 175.557 176.371 -0.814 1
1 268 . 5 1 1 A 28 28 MET CA C 28 57.419 58.428 -1.009 1
1 269 . 5 1 1 A 28 28 MET CB C 28 33.795 33.534 0.261 1
1 272 . 5 1 1 A 28 28 MET N N 28 121.660 123.063 -1.403 1
1 273 . 5 1 1 A 29 29 GLU H H 29 7.821 8.016 -0.195 1
1 274 . 5 1 1 A 29 29 GLU HA H 29 4.757 4.570 0.187 1
1 279 . 5 1 1 A 29 29 GLU C C 29 172.328 173.482 -1.154 1
1 280 . 5 1 1 A 29 29 GLU CA C 29 53.293 53.099 0.194 1
1 281 . 5 1 1 A 29 29 GLU CB C 29 30.761 30.297 0.464 1
1 283 . 5 1 1 A 29 29 GLU N N 29 116.541 118.501 -1.960 1
1 284 . 5 1 1 A 30 30 PRO HA H 30 4.475 4.454 0.021 1
1 291 . 5 1 1 A 30 30 PRO C C 30 177.014 176.143 0.871 1
1 292 . 5 1 1 A 30 30 PRO CA C 30 62.603 62.176 0.427 1
1 293 . 5 1 1 A 30 30 PRO CB C 30 31.915 32.475 -0.560 1
1 296 . 5 1 1 A 31 31 ASN H H 31 8.909 8.262 0.647 1
1 297 . 5 1 1 A 31 31 ASN HA H 31 4.673 4.904 -0.231 1
1 302 . 5 1 1 A 31 31 ASN C C 31 175.460 176.696 -1.236 1
1 303 . 5 1 1 A 31 31 ASN CA C 31 51.303 51.444 -0.141 1
1 304 . 5 1 1 A 31 31 ASN CB C 31 38.261 40.481 -2.220 1
1 305 . 5 1 1 A 31 31 ASN N N 31 120.499 118.456 2.043 1
1 307 . 5 1 1 A 32 32 SER H H 32 8.486 9.052 -0.566 1
1 308 . 5 1 1 A 32 32 SER HA H 32 4.024 4.084 -0.060 1
1 311 . 5 1 1 A 32 32 SER C C 32 176.650 176.184 0.466 1
1 312 . 5 1 1 A 32 32 SER CA C 32 62.621 61.874 0.747 1
1 313 . 5 1 1 A 32 32 SER CB C 32 62.675 62.607 0.068 1
1 314 . 5 1 1 A 32 32 SER N N 32 112.460 115.603 -3.143 1
1 315 . 5 1 1 A 33 33 ASP H H 33 7.935 8.282 -0.347 1
1 316 . 5 1 1 A 33 33 ASP HA H 33 4.441 4.274 0.167 1
1 319 . 5 1 1 A 33 33 ASP C C 33 178.811 178.940 -0.129 1
1 320 . 5 1 1 A 33 33 ASP CA C 33 57.456 57.230 0.226 1
1 321 . 5 1 1 A 33 33 ASP CB C 33 40.870 40.000 0.870 1
1 322 . 5 1 1 A 33 33 ASP N N 33 122.575 122.549 0.026 1
1 323 . 5 1 1 A 34 34 GLU H H 34 8.442 8.067 0.375 1
1 324 . 5 1 1 A 34 34 GLU HA H 34 3.898 3.928 -0.030 1
1 329 . 5 1 1 A 34 34 GLU C C 34 179.127 178.942 0.185 1
1 330 . 5 1 1 A 34 34 GLU CA C 34 59.041 59.214 -0.173 1
1 331 . 5 1 1 A 34 34 GLU CB C 34 29.854 29.432 0.422 1
1 333 . 5 1 1 A 34 34 GLU N N 34 121.743 119.754 1.989 1
1 334 . 5 1 1 A 35 35 LEU H H 35 8.723 8.210 0.513 1
1 335 . 5 1 1 A 35 35 LEU HA H 35 3.735 3.689 0.046 1
1 345 . 5 1 1 A 35 35 LEU C C 35 179.321 178.560 0.761 1
1 346 . 5 1 1 A 35 35 LEU CA C 35 58.118 57.861 0.257 1
1 347 . 5 1 1 A 35 35 LEU CB C 35 42.428 41.580 0.848 1
1 351 . 5 1 1 A 35 35 LEU N N 35 119.674 120.680 -1.006 1
1 352 . 5 1 1 A 36 36 LEU H H 36 7.651 7.919 -0.268 1
1 353 . 5 1 1 A 36 36 LEU HA H 36 4.039 3.900 0.139 1
1 363 . 5 1 1 A 36 36 LEU C C 36 178.908 178.420 0.488 1
1 364 . 5 1 1 A 36 36 LEU CA C 36 58.414 58.762 -0.348 1
1 365 . 5 1 1 A 36 36 LEU CB C 36 41.040 41.955 -0.915 1
1 369 . 5 1 1 A 36 36 LEU N N 36 121.058 119.814 1.244 1
1 370 . 5 1 1 A 37 37 LYS H H 37 7.704 7.682 0.022 1
1 371 . 5 1 1 A 37 37 LYS HA H 37 3.874 3.925 -0.051 1
1 379 . 5 1 1 A 37 37 LYS C C 37 180.025 178.937 1.088 1
1 380 . 5 1 1 A 37 37 LYS CA C 37 60.345 59.278 1.067 1
1 381 . 5 1 1 A 37 37 LYS CB C 37 32.327 32.399 -0.072 1
1 385 . 5 1 1 A 37 37 LYS N N 37 119.032 117.935 1.097 1
1 386 . 5 1 1 A 38 38 ILE H H 38 8.413 8.125 0.288 1
1 387 . 5 1 1 A 38 38 ILE HA H 38 3.296 3.303 -0.007 1
1 397 . 5 1 1 A 38 38 ILE C C 38 177.063 177.728 -0.665 1
1 398 . 5 1 1 A 38 38 ILE CA C 38 65.479 65.331 0.148 1
1 399 . 5 1 1 A 38 38 ILE CB C 38 38.384 37.600 0.784 1
1 403 . 5 1 1 A 38 38 ILE N N 38 120.466 121.101 -0.635 1
1 404 . 5 1 1 A 39 39 SER H H 39 8.183 8.035 0.148 1
1 405 . 5 1 1 A 39 39 SER HA H 39 4.047 4.367 -0.320 1
1 408 . 5 1 1 A 39 39 SER C C 39 176.359 176.945 -0.586 1
1 409 . 5 1 1 A 39 39 SER CA C 39 62.620 60.727 1.893 1
1 410 . 5 1 1 A 39 39 SER CB C 39 62.548 63.224 -0.676 1
1 411 . 5 1 1 A 39 39 SER N N 39 115.371 113.729 1.642 1
1 412 . 5 1 1 A 40 40 ILE H H 40 7.983 7.553 0.430 1
1 413 . 5 1 1 A 40 40 ILE HA H 40 3.785 3.815 -0.030 1
1 423 . 5 1 1 A 40 40 ILE C C 40 178.714 177.661 1.053 1
1 424 . 5 1 1 A 40 40 ILE CA C 40 64.307 64.588 -0.281 1
1 425 . 5 1 1 A 40 40 ILE CB C 40 38.440 37.850 0.590 1
1 429 . 5 1 1 A 40 40 ILE N N 40 121.913 122.193 -0.280 1
1 430 . 5 1 1 A 41 41 ALA H H 41 7.886 8.818 -0.932 1
1 431 . 5 1 1 A 41 41 ALA HA H 41 4.157 4.061 0.096 1
1 435 . 5 1 1 A 41 41 ALA C C 41 180.147 179.988 0.159 1
1 436 . 5 1 1 A 41 41 ALA CA C 41 55.268 55.512 -0.244 1
1 437 . 5 1 1 A 41 41 ALA CB C 41 18.646 18.682 -0.036 1
1 438 . 5 1 1 A 41 41 ALA N N 41 122.775 122.717 0.058 1
1 439 . 5 1 1 A 42 42 VAL H H 42 8.268 7.048 1.220 1
1 440 . 5 1 1 A 42 42 VAL HA H 42 4.352 3.924 0.428 1
1 448 . 5 1 1 A 42 42 VAL C C 42 175.849 177.036 -1.187 1
1 449 . 5 1 1 A 42 42 VAL CA C 42 61.352 63.270 -1.918 1
1 450 . 5 1 1 A 42 42 VAL CB C 42 32.632 32.940 -0.308 1
1 453 . 5 1 1 A 42 42 VAL N N 42 108.944 111.304 -2.360 1
1 454 . 5 1 1 A 43 43 GLY H H 43 7.837 7.888 -0.051 1
1 455 . 5 1 1 A 43 43 GLY HA2 H 43 3.937 3.959 -0.022 1
1 456 . 5 1 1 A 43 43 GLY HA3 H 43 3.852 3.984 -0.132 1
1 457 . 5 1 1 A 43 43 GLY C C 43 174.392 174.360 0.032 1
1 458 . 5 1 1 A 43 43 GLY CA C 43 46.770 45.743 1.027 1
1 459 . 5 1 1 A 43 43 GLY N N 43 110.644 112.949 -2.305 1
1 460 . 5 1 1 A 44 44 LEU H H 44 7.483 8.168 -0.685 1
1 461 . 5 1 1 A 44 44 LEU HA H 44 4.833 4.685 0.148 1
1 471 . 5 1 1 A 44 44 LEU C C 44 173.348 174.716 -1.368 1
1 472 . 5 1 1 A 44 44 LEU CA C 44 51.178 52.348 -1.170 1
1 473 . 5 1 1 A 44 44 LEU CB C 44 45.096 42.044 3.052 1
1 477 . 5 1 1 A 44 44 LEU N N 44 118.486 122.040 -3.554 1
1 478 . 5 1 1 A 45 45 PRO HA H 45 4.447 4.705 -0.258 1
1 485 . 5 1 1 A 45 45 PRO C C 45 178.301 177.875 0.426 1
1 486 . 5 1 1 A 45 45 PRO CA C 45 62.740 63.031 -0.291 1
1 487 . 5 1 1 A 45 45 PRO CB C 45 32.626 31.692 0.934 1
1 490 . 5 1 1 A 46 46 GLN H H 46 9.200 8.972 0.228 1
1 491 . 5 1 1 A 46 46 GLN HA H 46 4.007 4.030 -0.023 1
1 498 . 5 1 1 A 46 46 GLN C C 46 177.718 177.884 -0.166 1
1 499 . 5 1 1 A 46 46 GLN CA C 46 60.099 59.276 0.823 1
1 500 . 5 1 1 A 46 46 GLN CB C 46 28.371 28.712 -0.341 1
1 502 . 5 1 1 A 46 46 GLN N N 46 125.692 124.783 0.909 1
1 504 . 5 1 1 A 47 47 GLU H H 47 9.618 8.539 1.079 1
1 505 . 5 1 1 A 47 47 GLU HA H 47 4.036 4.116 -0.080 1
1 510 . 5 1 1 A 47 47 GLU C C 47 178.860 178.919 -0.059 1
1 511 . 5 1 1 A 47 47 GLU CA C 47 60.029 59.518 0.511 1
1 512 . 5 1 1 A 47 47 GLU CB C 47 28.746 29.694 -0.948 1
1 514 . 5 1 1 A 47 47 GLU N N 47 117.907 118.764 -0.857 1
1 515 . 5 1 1 A 48 48 PHE H H 48 7.194 8.189 -0.995 1
1 516 . 5 1 1 A 48 48 PHE HA H 48 4.385 4.294 0.091 1
1 524 . 5 1 1 A 48 48 PHE C C 48 177.524 177.401 0.123 1
1 525 . 5 1 1 A 48 48 PHE CA C 48 60.699 61.349 -0.650 1
1 526 . 5 1 1 A 48 48 PHE CB C 48 39.190 39.296 -0.106 1
1 532 . 5 1 1 A 48 48 PHE N N 48 119.141 121.333 -2.192 1
1 533 . 5 1 1 A 49 49 VAL H H 49 7.761 8.224 -0.463 1
1 534 . 5 1 1 A 49 49 VAL HA H 49 3.509 3.892 -0.383 1
1 542 . 5 1 1 A 49 49 VAL C C 49 177.306 178.290 -0.984 1
1 543 . 5 1 1 A 49 49 VAL CA C 49 67.242 67.069 0.173 1
1 544 . 5 1 1 A 49 49 VAL CB C 49 31.844 31.810 0.034 1
1 547 . 5 1 1 A 49 49 VAL N N 49 120.478 119.609 0.869 1
1 548 . 5 1 1 A 50 50 LYS H H 50 8.751 8.279 0.472 1
1 549 . 5 1 1 A 50 50 LYS HA H 50 4.023 4.028 -0.005 1
1 557 . 5 1 1 A 50 50 LYS C C 50 178.593 179.043 -0.450 1
1 558 . 5 1 1 A 50 50 LYS CA C 50 60.274 60.041 0.233 1
1 559 . 5 1 1 A 50 50 LYS CB C 50 32.821 32.571 0.250 1
1 563 . 5 1 1 A 50 50 LYS N N 50 119.513 120.113 -0.600 1
1 564 . 5 1 1 A 51 51 GLU H H 51 7.636 7.884 -0.248 1
1 565 . 5 1 1 A 51 51 GLU HA H 51 4.110 4.057 0.053 1
1 570 . 5 1 1 A 51 51 GLU C C 51 177.791 178.901 -1.110 1
1 571 . 5 1 1 A 51 51 GLU CA C 51 59.253 59.500 -0.247 1
1 572 . 5 1 1 A 51 51 GLU CB C 51 29.442 29.353 0.089 1
1 574 . 5 1 1 A 51 51 GLU N N 51 118.681 117.439 1.242 1
1 575 . 5 1 1 A 52 52 TRP H H 52 8.396 7.818 0.578 1
1 576 . 5 1 1 A 52 52 TRP HA H 52 3.794 4.316 -0.522 1
1 585 . 5 1 1 A 52 52 TRP C C 52 179.709 178.398 1.311 1
1 586 . 5 1 1 A 52 52 TRP CA C 52 62.688 60.943 1.745 1
1 587 . 5 1 1 A 52 52 TRP CB C 52 28.806 30.021 -1.215 1
1 593 . 5 1 1 A 52 52 TRP N N 52 121.740 122.049 -0.309 1
1 595 . 5 1 1 A 53 53 PHE H H 53 8.602 8.663 -0.061 1
1 596 . 5 1 1 A 53 53 PHE HA H 53 3.899 4.143 -0.244 1
1 604 . 5 1 1 A 53 53 PHE C C 53 179.297 178.226 1.071 1
1 605 . 5 1 1 A 53 53 PHE CA C 53 63.414 62.342 1.072 1
1 606 . 5 1 1 A 53 53 PHE CB C 53 39.480 38.499 0.981 1
1 612 . 5 1 1 A 53 53 PHE N N 53 117.648 117.680 -0.032 1
1 613 . 5 1 1 A 54 54 GLU H H 54 8.372 8.243 0.129 1
1 614 . 5 1 1 A 54 54 GLU HA H 54 4.070 3.987 0.083 1
1 619 . 5 1 1 A 54 54 GLU C C 54 179.540 179.228 0.312 1
1 620 . 5 1 1 A 54 54 GLU CA C 54 59.676 59.805 -0.129 1
1 621 . 5 1 1 A 54 54 GLU CB C 54 29.448 29.321 0.127 1
1 623 . 5 1 1 A 54 54 GLU N N 54 120.198 118.879 1.319 1
1 624 . 5 1 1 A 55 55 GLN H H 55 8.275 8.536 -0.261 1
1 625 . 5 1 1 A 55 55 GLN HA H 55 3.975 3.875 0.100 1
1 632 . 5 1 1 A 55 55 GLN C C 55 177.913 178.553 -0.640 1
1 633 . 5 1 1 A 55 55 GLN CA C 55 57.773 59.282 -1.509 1
1 634 . 5 1 1 A 55 55 GLN CB C 55 28.075 28.007 0.068 1
1 636 . 5 1 1 A 55 55 GLN N N 55 117.674 119.342 -1.668 1
1 638 . 5 1 1 A 56 56 ARG H H 56 7.413 7.663 -0.250 1
1 639 . 5 1 1 A 56 56 ARG HA H 56 3.727 4.009 -0.282 1
1 646 . 5 1 1 A 56 56 ARG C C 56 177.670 178.743 -1.073 1
1 647 . 5 1 1 A 56 56 ARG CA C 56 57.278 58.765 -1.487 1
1 648 . 5 1 1 A 56 56 ARG CB C 56 29.564 29.658 -0.094 1
1 651 . 5 1 1 A 56 56 ARG N N 56 119.111 120.686 -1.575 1
1 652 . 5 1 1 A 57 57 LYS H H 57 7.468 8.163 -0.695 1
1 653 . 5 1 1 A 57 57 LYS HA H 57 4.215 4.145 0.070 1
1 662 . 5 1 1 A 57 57 LYS C C 57 177.937 178.961 -1.024 1
1 663 . 5 1 1 A 57 57 LYS CA C 57 58.454 59.404 -0.950 1
1 664 . 5 1 1 A 57 57 LYS CB C 57 32.656 32.640 0.016 1
1 668 . 5 1 1 A 57 57 LYS N N 57 118.984 119.092 -0.108 1
1 669 . 5 1 1 A 58 58 VAL H H 58 7.564 8.295 -0.731 1
1 670 . 5 1 1 A 58 58 VAL HA H 58 3.866 3.663 0.203 1
1 678 . 5 1 1 A 58 58 VAL C C 58 177.306 177.022 0.284 1
1 679 . 5 1 1 A 58 58 VAL CA C 58 64.013 66.027 -2.014 1
1 680 . 5 1 1 A 58 58 VAL CB C 58 32.128 31.325 0.803 1
1 683 . 5 1 1 A 58 58 VAL N N 58 118.037 119.881 -1.844 1
1 684 . 5 1 1 A 59 59 TYR H H 59 7.871 7.438 0.433 1
1 685 . 5 1 1 A 59 59 TYR HA H 59 4.381 4.204 0.177 1
1 692 . 5 1 1 A 59 59 TYR C C 59 176.577 178.426 -1.849 1
1 693 . 5 1 1 A 59 59 TYR CA C 59 59.112 61.192 -2.080 1
1 694 . 5 1 1 A 59 59 TYR CB C 59 38.382 37.973 0.409 1
1 699 . 5 1 1 A 59 59 TYR N N 59 121.466 118.531 2.935 1
1 700 . 5 1 1 A 60 60 GLN H H 60 8.074 8.178 -0.104 1
1 701 . 5 1 1 A 60 60 GLN HA H 60 4.103 4.007 0.096 1
1 708 . 5 1 1 A 60 60 GLN C C 60 176.334 177.653 -1.319 1
1 709 . 5 1 1 A 60 60 GLN CA C 60 56.820 58.786 -1.966 1
1 710 . 5 1 1 A 60 60 GLN CB C 60 29.003 28.001 1.002 1
1 712 . 5 1 1 A 60 60 GLN N N 60 120.517 119.040 1.477 1
1 714 . 5 1 1 A 61 61 TYR H H 61 8.001 7.831 0.170 1
1 715 . 5 1 1 A 61 61 TYR HA H 61 4.544 4.453 0.091 1
1 722 . 5 1 1 A 61 61 TYR C C 61 176.456 175.679 0.777 1
1 723 . 5 1 1 A 61 61 TYR CA C 61 58.442 59.386 -0.944 1
1 724 . 5 1 1 A 61 61 TYR CB C 61 38.408 39.778 -1.370 1
1 729 . 5 1 1 A 61 61 TYR N N 61 119.641 116.162 3.479 1
1 730 . 5 1 1 A 62 62 SER H H 62 8.071 7.832 0.239 1
1 731 . 5 1 1 A 62 62 SER HA H 62 4.371 4.494 -0.123 1
1 734 . 5 1 1 A 62 62 SER C C 62 174.440 174.633 -0.193 1
1 735 . 5 1 1 A 62 62 SER CA C 62 58.830 57.320 1.510 1
1 736 . 5 1 1 A 62 62 SER CB C 62 63.806 64.472 -0.666 1
1 737 . 5 1 1 A 62 62 SER N N 62 116.272 115.210 1.062 1
1 738 . 5 1 1 A 63 63 ASN HA H 63 4.737 4.725 0.012 1
1 743 . 5 1 1 A 63 63 ASN CA C 63 50.823 53.965 -3.142 1
1 744 . 5 1 1 A 63 63 ASN CB C 63 38.920 38.943 -0.023 1
1 746 . 5 1 1 A 64 64 SER HA H 64 4.407 4.432 -0.025 1
1 749 . 5 1 1 A 64 64 SER C C 64 174.610 174.884 -0.274 1
1 750 . 5 1 1 A 64 64 SER CA C 64 58.794 61.220 -2.426 1
1 751 . 5 1 1 A 64 64 SER CB C 64 63.727 63.891 -0.164 1
1 752 . 5 1 1 A 65 65 ARG H H 65 8.263 7.818 0.445 1
1 753 . 5 1 1 A 65 65 ARG HA H 65 4.405 4.859 -0.454 1
1 760 . 5 1 1 A 65 65 ARG C C 65 176.310 173.967 2.343 1
1 761 . 5 1 1 A 65 65 ARG CA C 65 56.185 54.119 2.066 1
1 762 . 5 1 1 A 65 65 ARG CB C 65 30.643 33.396 -2.753 1
1 765 . 5 1 1 A 65 65 ARG N N 65 122.520 116.113 6.407 1
1 766 . 5 1 1 A 66 66 SER H H 66 8.253 8.775 -0.522 1
1 767 . 5 1 1 A 66 66 SER HA H 66 4.507 4.882 -0.375 1
1 770 . 5 1 1 A 66 66 SER C C 66 174.489 174.145 0.344 1
1 771 . 5 1 1 A 66 66 SER CA C 66 58.320 56.319 2.001 1
1 772 . 5 1 1 A 66 66 SER CB C 66 63.974 65.393 -1.419 1
1 773 . 5 1 1 A 66 66 SER N N 66 116.498 116.297 0.201 1
1 774 . 5 1 1 A 67 67 GLY H H 67 8.201 8.416 -0.215 1
1 775 . 5 1 1 A 67 67 GLY HA2 H 67 4.113 4.203 -0.090 1
1 776 . 5 1 1 A 67 67 GLY C C 67 171.769 174.560 -2.791 1
1 777 . 5 1 1 A 67 67 GLY CA C 67 44.689 43.568 1.121 1
1 778 . 5 1 1 A 67 67 GLY N N 67 110.648 111.407 -0.759 1
1 781 . 5 1 1 A 69 69 SER HA H 69 4.481 5.012 -0.531 1
1 784 . 5 1 1 A 69 69 SER C C 69 174.659 173.445 1.214 1
1 785 . 5 1 1 A 69 69 SER CA C 69 58.371 56.965 1.406 1
1 786 . 5 1 1 A 69 69 SER CB C 69 63.645 66.478 -2.833 1
1 787 . 5 1 1 A 70 70 SER H H 70 8.303 8.572 -0.269 1
1 788 . 5 1 1 A 70 70 SER HA H 70 4.473 4.607 -0.134 1
1 791 . 5 1 1 A 70 70 SER C C 70 173.930 174.146 -0.216 1
1 792 . 5 1 1 A 70 70 SER CA C 70 58.406 58.262 0.144 1
1 793 . 5 1 1 A 70 70 SER CB C 70 64.057 64.512 -0.455 1
1 794 . 5 1 1 A 70 70 SER N N 70 117.757 115.444 2.313 1
1 1 . 6 1 1 A 7 7 GLY HA2 H 7 3.980 4.040 -0.060 1
1 2 . 6 1 1 A 7 7 GLY HA3 H 7 3.980 4.041 -0.061 1
1 3 . 6 1 1 A 7 7 GLY C C 7 173.809 173.235 0.574 1
1 4 . 6 1 1 A 7 7 GLY CA C 7 45.148 45.485 -0.337 1
1 5 . 6 1 1 A 8 8 SER H H 8 8.167 8.225 -0.058 1
1 6 . 6 1 1 A 8 8 SER C C 8 172.741 172.607 0.134 1
1 7 . 6 1 1 A 8 8 SER CA C 8 56.432 55.490 0.942 1
1 8 . 6 1 1 A 8 8 SER CB C 8 63.397 64.728 -1.331 1
1 9 . 6 1 1 A 8 8 SER N N 8 116.986 114.908 2.078 1
1 10 . 6 1 1 A 9 9 PRO HA H 9 4.471 4.734 -0.263 1
1 17 . 6 1 1 A 9 9 PRO C C 9 176.771 175.689 1.082 1
1 18 . 6 1 1 A 9 9 PRO CA C 9 63.244 62.773 0.471 1
1 19 . 6 1 1 A 9 9 PRO CB C 9 32.121 31.759 0.362 1
1 22 . 6 1 1 A 10 10 ILE H H 10 8.173 8.541 -0.368 1
1 23 . 6 1 1 A 10 10 ILE HA H 10 4.084 4.824 -0.740 1
1 33 . 6 1 1 A 10 10 ILE C C 10 175.703 174.654 1.049 1
1 34 . 6 1 1 A 10 10 ILE CA C 10 61.051 59.497 1.554 1
1 35 . 6 1 1 A 10 10 ILE CB C 10 38.806 40.626 -1.820 1
1 39 . 6 1 1 A 10 10 ILE N N 10 120.782 124.761 -3.979 1
1 40 . 6 1 1 A 11 11 ASN H H 11 8.538 8.487 0.051 1
1 41 . 6 1 1 A 11 11 ASN HA H 11 4.992 5.133 -0.141 1
1 46 . 6 1 1 A 11 11 ASN C C 11 173.785 175.050 -1.265 1
1 47 . 6 1 1 A 11 11 ASN CA C 11 50.794 49.821 0.973 1
1 48 . 6 1 1 A 11 11 ASN CB C 11 39.063 41.425 -2.362 1
1 49 . 6 1 1 A 11 11 ASN N N 11 123.456 124.252 -0.796 1
1 51 . 6 1 1 A 12 12 PRO HA H 12 4.328 4.409 -0.081 1
1 58 . 6 1 1 A 12 12 PRO C C 12 176.674 177.249 -0.575 1
1 59 . 6 1 1 A 12 12 PRO CA C 12 63.616 65.252 -1.636 1
1 60 . 6 1 1 A 12 12 PRO CB C 12 31.997 31.823 0.174 1
1 63 . 6 1 1 A 13 13 TYR H H 13 7.994 7.792 0.202 1
1 64 . 6 1 1 A 13 13 TYR HA H 13 4.574 4.834 -0.260 1
1 71 . 6 1 1 A 13 13 TYR C C 13 176.237 177.280 -1.043 1
1 72 . 6 1 1 A 13 13 TYR CA C 13 57.866 58.511 -0.645 1
1 73 . 6 1 1 A 13 13 TYR CB C 13 38.013 40.044 -2.031 1
1 78 . 6 1 1 A 13 13 TYR N N 13 118.352 116.077 2.275 1
1 79 . 6 1 1 A 14 14 LYS H H 14 7.727 7.389 0.338 1
1 80 . 6 1 1 A 14 14 LYS HA H 14 4.131 3.941 0.190 1
1 88 . 6 1 1 A 14 14 LYS C C 14 176.626 178.321 -1.695 1
1 89 . 6 1 1 A 14 14 LYS CA C 14 57.704 59.345 -1.641 1
1 90 . 6 1 1 A 14 14 LYS CB C 14 33.154 31.907 1.247 1
1 94 . 6 1 1 A 14 14 LYS N N 14 121.585 121.677 -0.092 1
1 95 . 6 1 1 A 15 15 ASP H H 15 8.374 8.092 0.282 1
1 96 . 6 1 1 A 15 15 ASP HA H 15 4.620 4.219 0.401 1
1 99 . 6 1 1 A 15 15 ASP C C 15 174.125 178.265 -4.140 1
1 100 . 6 1 1 A 15 15 ASP CA C 15 54.763 57.287 -2.524 1
1 101 . 6 1 1 A 15 15 ASP CB C 15 40.533 41.212 -0.679 1
1 102 . 6 1 1 A 15 15 ASP N N 15 119.870 118.965 0.905 1
1 103 . 6 1 1 A 16 16 HIS H H 16 8.034 8.167 -0.133 1
1 104 . 6 1 1 A 16 16 HIS HA H 16 4.419 4.352 0.067 1
1 109 . 6 1 1 A 16 16 HIS CA C 16 58.742 59.181 -0.439 1
1 110 . 6 1 1 A 16 16 HIS CB C 16 30.675 29.680 0.995 1
1 113 . 6 1 1 A 16 16 HIS N N 16 124.264 118.018 6.246 1
1 114 . 6 1 1 A 17 17 MET H H 17 8.049 8.219 -0.170 1
1 115 . 6 1 1 A 17 17 MET HA H 17 4.160 3.963 0.197 1
1 123 . 6 1 1 A 17 17 MET CA C 17 57.275 57.985 -0.710 1
1 124 . 6 1 1 A 17 17 MET CB C 17 31.055 33.435 -2.380 1
1 127 . 6 1 1 A 17 17 MET N N 17 117.829 118.064 -0.235 1
1 128 . 6 1 1 A 18 18 SER HA H 18 4.134 4.107 0.027 1
1 131 . 6 1 1 A 18 18 SER C C 18 176.941 176.390 0.551 1
1 132 . 6 1 1 A 18 18 SER CA C 18 61.889 62.429 -0.540 1
1 133 . 6 1 1 A 18 18 SER CB C 18 62.424 62.510 -0.086 1
1 134 . 6 1 1 A 19 19 VAL H H 19 7.568 8.115 -0.547 1
1 135 . 6 1 1 A 19 19 VAL HA H 19 3.809 3.587 0.222 1
1 143 . 6 1 1 A 19 19 VAL C C 19 177.913 177.623 0.290 1
1 144 . 6 1 1 A 19 19 VAL CA C 19 65.637 65.260 0.377 1
1 145 . 6 1 1 A 19 19 VAL CB C 19 31.737 31.381 0.356 1
1 148 . 6 1 1 A 19 19 VAL N N 19 122.341 120.409 1.932 1
1 149 . 6 1 1 A 20 20 LEU H H 20 7.788 8.014 -0.226 1
1 150 . 6 1 1 A 20 20 LEU HA H 20 3.940 4.110 -0.170 1
1 160 . 6 1 1 A 20 20 LEU C C 20 178.520 179.280 -0.760 1
1 161 . 6 1 1 A 20 20 LEU CA C 20 58.336 57.769 0.567 1
1 162 . 6 1 1 A 20 20 LEU CB C 20 39.138 40.841 -1.703 1
1 166 . 6 1 1 A 20 20 LEU N N 20 120.156 121.039 -0.883 1
1 167 . 6 1 1 A 21 21 LYS H H 21 8.067 8.142 -0.075 1
1 168 . 6 1 1 A 21 21 LYS HA H 21 4.047 4.375 -0.328 1
1 175 . 6 1 1 A 21 21 LYS C C 21 179.102 179.342 -0.240 1
1 176 . 6 1 1 A 21 21 LYS CA C 21 60.667 59.201 1.466 1
1 177 . 6 1 1 A 21 21 LYS CB C 21 32.519 31.910 0.609 1
1 181 . 6 1 1 A 21 21 LYS N N 21 117.374 117.658 -0.284 1
1 182 . 6 1 1 A 22 22 ALA H H 22 7.718 8.002 -0.284 1
1 183 . 6 1 1 A 22 22 ALA HA H 22 4.217 4.130 0.087 1
1 187 . 6 1 1 A 22 22 ALA C C 22 180.486 179.429 1.057 1
1 188 . 6 1 1 A 22 22 ALA CA C 22 54.954 54.878 0.076 1
1 189 . 6 1 1 A 22 22 ALA CB C 22 17.934 18.238 -0.304 1
1 190 . 6 1 1 A 22 22 ALA N N 22 122.528 122.174 0.354 1
1 191 . 6 1 1 A 23 23 TYR H H 23 8.036 7.319 0.717 1
1 192 . 6 1 1 A 23 23 TYR HA H 23 4.291 4.321 -0.030 1
1 199 . 6 1 1 A 23 23 TYR C C 23 178.860 178.371 0.489 1
1 200 . 6 1 1 A 23 23 TYR CA C 23 62.616 61.635 0.981 1
1 201 . 6 1 1 A 23 23 TYR CB C 23 38.455 38.448 0.007 1
1 206 . 6 1 1 A 23 23 TYR N N 23 117.835 116.331 1.504 1
1 207 . 6 1 1 A 24 24 TYR H H 24 8.856 8.153 0.703 1
1 208 . 6 1 1 A 24 24 TYR HA H 24 4.420 4.711 -0.291 1
1 215 . 6 1 1 A 24 24 TYR C C 24 175.484 177.195 -1.711 1
1 216 . 6 1 1 A 24 24 TYR CA C 24 61.291 62.046 -0.755 1
1 217 . 6 1 1 A 24 24 TYR CB C 24 38.629 38.889 -0.260 1
1 222 . 6 1 1 A 24 24 TYR N N 24 122.534 120.524 2.010 1
1 223 . 6 1 1 A 25 25 ALA H H 25 7.616 8.477 -0.861 1
1 224 . 6 1 1 A 25 25 ALA HA H 25 4.084 4.232 -0.148 1
1 228 . 6 1 1 A 25 25 ALA C C 25 179.224 179.844 -0.620 1
1 229 . 6 1 1 A 25 25 ALA CA C 25 53.893 55.396 -1.503 1
1 230 . 6 1 1 A 25 25 ALA CB C 25 18.433 18.504 -0.071 1
1 231 . 6 1 1 A 25 25 ALA N N 25 116.147 121.648 -5.501 1
1 232 . 6 1 1 A 26 26 MET H H 26 7.379 7.911 -0.532 1
1 233 . 6 1 1 A 26 26 MET HA H 26 4.353 4.592 -0.239 1
1 241 . 6 1 1 A 26 26 MET C C 26 176.529 176.626 -0.097 1
1 242 . 6 1 1 A 26 26 MET CA C 26 56.724 57.039 -0.315 1
1 243 . 6 1 1 A 26 26 MET CB C 26 33.645 33.811 -0.166 1
1 246 . 6 1 1 A 26 26 MET N N 26 114.990 115.374 -0.384 1
1 247 . 6 1 1 A 27 27 ASN H H 27 7.865 7.981 -0.116 1
1 248 . 6 1 1 A 27 27 ASN HA H 27 4.562 4.968 -0.406 1
1 253 . 6 1 1 A 27 27 ASN C C 27 173.323 175.335 -2.012 1
1 254 . 6 1 1 A 27 27 ASN CA C 27 53.143 52.228 0.915 1
1 255 . 6 1 1 A 27 27 ASN CB C 27 38.096 40.232 -2.136 1
1 256 . 6 1 1 A 27 27 ASN N N 27 117.385 116.195 1.190 1
1 258 . 6 1 1 A 28 28 MET H H 28 8.400 8.462 -0.062 1
1 259 . 6 1 1 A 28 28 MET HA H 28 4.064 2.952 1.112 1
1 267 . 6 1 1 A 28 28 MET C C 28 175.557 176.035 -0.478 1
1 268 . 6 1 1 A 28 28 MET CA C 28 57.419 57.956 -0.537 1
1 269 . 6 1 1 A 28 28 MET CB C 28 33.795 32.401 1.394 1
1 272 . 6 1 1 A 28 28 MET N N 28 121.660 123.976 -2.316 1
1 273 . 6 1 1 A 29 29 GLU H H 29 7.821 8.150 -0.329 1
1 274 . 6 1 1 A 29 29 GLU HA H 29 4.757 4.521 0.236 1
1 279 . 6 1 1 A 29 29 GLU C C 29 172.328 173.796 -1.468 1
1 280 . 6 1 1 A 29 29 GLU CA C 29 53.293 53.016 0.277 1
1 281 . 6 1 1 A 29 29 GLU CB C 29 30.761 30.275 0.486 1
1 283 . 6 1 1 A 29 29 GLU N N 29 116.541 118.755 -2.214 1
1 284 . 6 1 1 A 30 30 PRO HA H 30 4.475 4.449 0.026 1
1 291 . 6 1 1 A 30 30 PRO C C 30 177.014 175.968 1.046 1
1 292 . 6 1 1 A 30 30 PRO CA C 30 62.603 62.108 0.495 1
1 293 . 6 1 1 A 30 30 PRO CB C 30 31.915 32.644 -0.729 1
1 296 . 6 1 1 A 31 31 ASN H H 31 8.909 8.317 0.592 1
1 297 . 6 1 1 A 31 31 ASN HA H 31 4.673 5.007 -0.334 1
1 302 . 6 1 1 A 31 31 ASN C C 31 175.460 176.012 -0.552 1
1 303 . 6 1 1 A 31 31 ASN CA C 31 51.303 51.482 -0.179 1
1 304 . 6 1 1 A 31 31 ASN CB C 31 38.261 41.069 -2.808 1
1 305 . 6 1 1 A 31 31 ASN N N 31 120.499 117.978 2.521 1
1 307 . 6 1 1 A 32 32 SER H H 32 8.486 9.002 -0.516 1
1 308 . 6 1 1 A 32 32 SER HA H 32 4.024 4.011 0.013 1
1 311 . 6 1 1 A 32 32 SER C C 32 176.650 176.396 0.254 1
1 312 . 6 1 1 A 32 32 SER CA C 32 62.621 62.322 0.299 1
1 313 . 6 1 1 A 32 32 SER CB C 32 62.675 62.895 -0.220 1
1 314 . 6 1 1 A 32 32 SER N N 32 112.460 117.108 -4.648 1
1 315 . 6 1 1 A 33 33 ASP H H 33 7.935 8.314 -0.379 1
1 316 . 6 1 1 A 33 33 ASP HA H 33 4.441 4.229 0.212 1
1 319 . 6 1 1 A 33 33 ASP C C 33 178.811 179.094 -0.283 1
1 320 . 6 1 1 A 33 33 ASP CA C 33 57.456 57.576 -0.120 1
1 321 . 6 1 1 A 33 33 ASP CB C 33 40.870 40.182 0.688 1
1 322 . 6 1 1 A 33 33 ASP N N 33 122.575 122.060 0.515 1
1 323 . 6 1 1 A 34 34 GLU H H 34 8.442 8.048 0.394 1
1 324 . 6 1 1 A 34 34 GLU HA H 34 3.898 3.961 -0.063 1
1 329 . 6 1 1 A 34 34 GLU C C 34 179.127 178.929 0.198 1
1 330 . 6 1 1 A 34 34 GLU CA C 34 59.041 59.153 -0.112 1
1 331 . 6 1 1 A 34 34 GLU CB C 34 29.854 29.394 0.460 1
1 333 . 6 1 1 A 34 34 GLU N N 34 121.743 119.551 2.192 1
1 334 . 6 1 1 A 35 35 LEU H H 35 8.723 8.456 0.267 1
1 335 . 6 1 1 A 35 35 LEU HA H 35 3.735 3.723 0.012 1
1 345 . 6 1 1 A 35 35 LEU C C 35 179.321 178.751 0.570 1
1 346 . 6 1 1 A 35 35 LEU CA C 35 58.118 57.898 0.220 1
1 347 . 6 1 1 A 35 35 LEU CB C 35 42.428 41.597 0.831 1
1 351 . 6 1 1 A 35 35 LEU N N 35 119.674 120.838 -1.164 1
1 352 . 6 1 1 A 36 36 LEU H H 36 7.651 8.214 -0.563 1
1 353 . 6 1 1 A 36 36 LEU HA H 36 4.039 3.911 0.128 1
1 363 . 6 1 1 A 36 36 LEU C C 36 178.908 178.438 0.470 1
1 364 . 6 1 1 A 36 36 LEU CA C 36 58.414 58.788 -0.374 1
1 365 . 6 1 1 A 36 36 LEU CB C 36 41.040 41.966 -0.926 1
1 369 . 6 1 1 A 36 36 LEU N N 36 121.058 119.846 1.212 1
1 370 . 6 1 1 A 37 37 LYS H H 37 7.704 7.653 0.051 1
1 371 . 6 1 1 A 37 37 LYS HA H 37 3.874 3.889 -0.015 1
1 379 . 6 1 1 A 37 37 LYS C C 37 180.025 178.877 1.148 1
1 380 . 6 1 1 A 37 37 LYS CA C 37 60.345 59.271 1.074 1
1 381 . 6 1 1 A 37 37 LYS CB C 37 32.327 32.277 0.050 1
1 385 . 6 1 1 A 37 37 LYS N N 37 119.032 117.856 1.176 1
1 386 . 6 1 1 A 38 38 ILE H H 38 8.413 8.015 0.398 1
1 387 . 6 1 1 A 38 38 ILE HA H 38 3.296 3.201 0.095 1
1 397 . 6 1 1 A 38 38 ILE C C 38 177.063 177.937 -0.874 1
1 398 . 6 1 1 A 38 38 ILE CA C 38 65.479 65.140 0.339 1
1 399 . 6 1 1 A 38 38 ILE CB C 38 38.384 37.435 0.949 1
1 403 . 6 1 1 A 38 38 ILE N N 38 120.466 120.903 -0.437 1
1 404 . 6 1 1 A 39 39 SER H H 39 8.183 7.946 0.237 1
1 405 . 6 1 1 A 39 39 SER HA H 39 4.047 4.366 -0.319 1
1 408 . 6 1 1 A 39 39 SER C C 39 176.359 176.548 -0.189 1
1 409 . 6 1 1 A 39 39 SER CA C 39 62.620 61.931 0.689 1
1 410 . 6 1 1 A 39 39 SER CB C 39 62.548 63.079 -0.531 1
1 411 . 6 1 1 A 39 39 SER N N 39 115.371 115.450 -0.079 1
1 412 . 6 1 1 A 40 40 ILE H H 40 7.983 8.107 -0.124 1
1 413 . 6 1 1 A 40 40 ILE HA H 40 3.785 3.685 0.100 1
1 423 . 6 1 1 A 40 40 ILE C C 40 178.714 177.862 0.852 1
1 424 . 6 1 1 A 40 40 ILE CA C 40 64.307 65.545 -1.238 1
1 425 . 6 1 1 A 40 40 ILE CB C 40 38.440 38.094 0.346 1
1 429 . 6 1 1 A 40 40 ILE N N 40 121.913 123.564 -1.651 1
1 430 . 6 1 1 A 41 41 ALA H H 41 7.886 8.848 -0.962 1
1 431 . 6 1 1 A 41 41 ALA HA H 41 4.157 4.066 0.091 1
1 435 . 6 1 1 A 41 41 ALA C C 41 180.147 179.954 0.193 1
1 436 . 6 1 1 A 41 41 ALA CA C 41 55.268 55.585 -0.317 1
1 437 . 6 1 1 A 41 41 ALA CB C 41 18.646 18.764 -0.118 1
1 438 . 6 1 1 A 41 41 ALA N N 41 122.775 122.105 0.670 1
1 439 . 6 1 1 A 42 42 VAL H H 42 8.268 7.168 1.100 1
1 440 . 6 1 1 A 42 42 VAL HA H 42 4.352 4.122 0.230 1
1 448 . 6 1 1 A 42 42 VAL C C 42 175.849 176.875 -1.026 1
1 449 . 6 1 1 A 42 42 VAL CA C 42 61.352 63.643 -2.291 1
1 450 . 6 1 1 A 42 42 VAL CB C 42 32.632 33.166 -0.534 1
1 453 . 6 1 1 A 42 42 VAL N N 42 108.944 111.204 -2.260 1
1 454 . 6 1 1 A 43 43 GLY H H 43 7.837 8.184 -0.347 1
1 455 . 6 1 1 A 43 43 GLY HA2 H 43 3.937 4.036 -0.099 1
1 456 . 6 1 1 A 43 43 GLY HA3 H 43 3.852 4.055 -0.203 1
1 457 . 6 1 1 A 43 43 GLY C C 43 174.392 174.461 -0.069 1
1 458 . 6 1 1 A 43 43 GLY CA C 43 46.770 44.930 1.840 1
1 459 . 6 1 1 A 43 43 GLY N N 43 110.644 111.554 -0.910 1
1 460 . 6 1 1 A 44 44 LEU H H 44 7.483 7.746 -0.263 1
1 461 . 6 1 1 A 44 44 LEU HA H 44 4.833 4.348 0.485 1
1 471 . 6 1 1 A 44 44 LEU C C 44 173.348 174.849 -1.501 1
1 472 . 6 1 1 A 44 44 LEU CA C 44 51.178 53.453 -2.275 1
1 473 . 6 1 1 A 44 44 LEU CB C 44 45.096 41.374 3.722 1
1 477 . 6 1 1 A 44 44 LEU N N 44 118.486 123.319 -4.833 1
1 478 . 6 1 1 A 45 45 PRO HA H 45 4.447 4.701 -0.254 1
1 485 . 6 1 1 A 45 45 PRO C C 45 178.301 177.884 0.417 1
1 486 . 6 1 1 A 45 45 PRO CA C 45 62.740 62.943 -0.203 1
1 487 . 6 1 1 A 45 45 PRO CB C 45 32.626 31.893 0.733 1
1 490 . 6 1 1 A 46 46 GLN H H 46 9.200 8.998 0.202 1
1 491 . 6 1 1 A 46 46 GLN HA H 46 4.007 4.334 -0.327 1
1 498 . 6 1 1 A 46 46 GLN C C 46 177.718 177.852 -0.134 1
1 499 . 6 1 1 A 46 46 GLN CA C 46 60.099 59.338 0.761 1
1 500 . 6 1 1 A 46 46 GLN CB C 46 28.371 28.777 -0.406 1
1 502 . 6 1 1 A 46 46 GLN N N 46 125.692 124.251 1.441 1
1 504 . 6 1 1 A 47 47 GLU H H 47 9.618 8.524 1.094 1
1 505 . 6 1 1 A 47 47 GLU HA H 47 4.036 4.094 -0.058 1
1 510 . 6 1 1 A 47 47 GLU C C 47 178.860 178.907 -0.047 1
1 511 . 6 1 1 A 47 47 GLU CA C 47 60.029 59.373 0.656 1
1 512 . 6 1 1 A 47 47 GLU CB C 47 28.746 29.410 -0.664 1
1 514 . 6 1 1 A 47 47 GLU N N 47 117.907 118.793 -0.886 1
1 515 . 6 1 1 A 48 48 PHE H H 48 7.194 8.116 -0.922 1
1 516 . 6 1 1 A 48 48 PHE HA H 48 4.385 4.295 0.090 1
1 524 . 6 1 1 A 48 48 PHE C C 48 177.524 177.376 0.148 1
1 525 . 6 1 1 A 48 48 PHE CA C 48 60.699 61.371 -0.672 1
1 526 . 6 1 1 A 48 48 PHE CB C 48 39.190 39.322 -0.132 1
1 532 . 6 1 1 A 48 48 PHE N N 48 119.141 121.650 -2.509 1
1 533 . 6 1 1 A 49 49 VAL H H 49 7.761 8.201 -0.440 1
1 534 . 6 1 1 A 49 49 VAL HA H 49 3.509 3.512 -0.003 1
1 542 . 6 1 1 A 49 49 VAL C C 49 177.306 178.143 -0.837 1
1 543 . 6 1 1 A 49 49 VAL CA C 49 67.242 66.841 0.401 1
1 544 . 6 1 1 A 49 49 VAL CB C 49 31.844 31.676 0.168 1
1 547 . 6 1 1 A 49 49 VAL N N 49 120.478 119.467 1.011 1
1 548 . 6 1 1 A 50 50 LYS H H 50 8.751 8.382 0.369 1
1 549 . 6 1 1 A 50 50 LYS HA H 50 4.023 4.034 -0.011 1
1 557 . 6 1 1 A 50 50 LYS C C 50 178.593 179.091 -0.498 1
1 558 . 6 1 1 A 50 50 LYS CA C 50 60.274 59.946 0.328 1
1 559 . 6 1 1 A 50 50 LYS CB C 50 32.821 32.620 0.201 1
1 563 . 6 1 1 A 50 50 LYS N N 50 119.513 120.124 -0.611 1
1 564 . 6 1 1 A 51 51 GLU H H 51 7.636 7.799 -0.163 1
1 565 . 6 1 1 A 51 51 GLU HA H 51 4.110 4.116 -0.006 1
1 570 . 6 1 1 A 51 51 GLU C C 51 177.791 178.946 -1.155 1
1 571 . 6 1 1 A 51 51 GLU CA C 51 59.253 59.547 -0.294 1
1 572 . 6 1 1 A 51 51 GLU CB C 51 29.442 29.549 -0.107 1
1 574 . 6 1 1 A 51 51 GLU N N 51 118.681 117.441 1.240 1
1 575 . 6 1 1 A 52 52 TRP H H 52 8.396 7.956 0.440 1
1 576 . 6 1 1 A 52 52 TRP HA H 52 3.794 4.154 -0.360 1
1 585 . 6 1 1 A 52 52 TRP C C 52 179.709 178.463 1.246 1
1 586 . 6 1 1 A 52 52 TRP CA C 52 62.688 60.551 2.137 1
1 587 . 6 1 1 A 52 52 TRP CB C 52 28.806 29.202 -0.396 1
1 593 . 6 1 1 A 52 52 TRP N N 52 121.740 122.094 -0.354 1
1 595 . 6 1 1 A 53 53 PHE H H 53 8.602 8.224 0.378 1
1 596 . 6 1 1 A 53 53 PHE HA H 53 3.899 4.208 -0.309 1
1 604 . 6 1 1 A 53 53 PHE C C 53 179.297 178.280 1.017 1
1 605 . 6 1 1 A 53 53 PHE CA C 53 63.414 61.836 1.578 1
1 606 . 6 1 1 A 53 53 PHE CB C 53 39.480 38.851 0.629 1
1 612 . 6 1 1 A 53 53 PHE N N 53 117.648 117.368 0.280 1
1 613 . 6 1 1 A 54 54 GLU H H 54 8.372 8.213 0.159 1
1 614 . 6 1 1 A 54 54 GLU HA H 54 4.070 3.966 0.104 1
1 619 . 6 1 1 A 54 54 GLU C C 54 179.540 179.351 0.189 1
1 620 . 6 1 1 A 54 54 GLU CA C 54 59.676 59.789 -0.113 1
1 621 . 6 1 1 A 54 54 GLU CB C 54 29.448 29.297 0.151 1
1 623 . 6 1 1 A 54 54 GLU N N 54 120.198 119.006 1.192 1
1 624 . 6 1 1 A 55 55 GLN H H 55 8.275 8.543 -0.268 1
1 625 . 6 1 1 A 55 55 GLN HA H 55 3.975 3.917 0.058 1
1 632 . 6 1 1 A 55 55 GLN C C 55 177.913 178.560 -0.647 1
1 633 . 6 1 1 A 55 55 GLN CA C 55 57.773 59.460 -1.687 1
1 634 . 6 1 1 A 55 55 GLN CB C 55 28.075 28.092 -0.017 1
1 636 . 6 1 1 A 55 55 GLN N N 55 117.674 119.492 -1.818 1
1 638 . 6 1 1 A 56 56 ARG H H 56 7.413 7.340 0.073 1
1 639 . 6 1 1 A 56 56 ARG HA H 56 3.727 4.044 -0.317 1
1 646 . 6 1 1 A 56 56 ARG C C 56 177.670 179.072 -1.402 1
1 647 . 6 1 1 A 56 56 ARG CA C 56 57.278 59.252 -1.974 1
1 648 . 6 1 1 A 56 56 ARG CB C 56 29.564 29.714 -0.150 1
1 651 . 6 1 1 A 56 56 ARG N N 56 119.111 120.677 -1.566 1
1 652 . 6 1 1 A 57 57 LYS H H 57 7.468 8.263 -0.795 1
1 653 . 6 1 1 A 57 57 LYS HA H 57 4.215 4.210 0.005 1
1 662 . 6 1 1 A 57 57 LYS C C 57 177.937 179.249 -1.312 1
1 663 . 6 1 1 A 57 57 LYS CA C 57 58.454 59.518 -1.064 1
1 664 . 6 1 1 A 57 57 LYS CB C 57 32.656 32.477 0.179 1
1 668 . 6 1 1 A 57 57 LYS N N 57 118.984 118.117 0.867 1
1 669 . 6 1 1 A 58 58 VAL H H 58 7.564 7.979 -0.415 1
1 670 . 6 1 1 A 58 58 VAL HA H 58 3.866 3.599 0.267 1
1 678 . 6 1 1 A 58 58 VAL C C 58 177.306 177.013 0.293 1
1 679 . 6 1 1 A 58 58 VAL CA C 58 64.013 66.173 -2.160 1
1 680 . 6 1 1 A 58 58 VAL CB C 58 32.128 31.352 0.776 1
1 683 . 6 1 1 A 58 58 VAL N N 58 118.037 120.408 -2.371 1
1 684 . 6 1 1 A 59 59 TYR H H 59 7.871 7.009 0.862 1
1 685 . 6 1 1 A 59 59 TYR HA H 59 4.381 4.206 0.175 1
1 692 . 6 1 1 A 59 59 TYR C C 59 176.577 178.615 -2.038 1
1 693 . 6 1 1 A 59 59 TYR CA C 59 59.112 61.124 -2.012 1
1 694 . 6 1 1 A 59 59 TYR CB C 59 38.382 38.042 0.340 1
1 699 . 6 1 1 A 59 59 TYR N N 59 121.466 118.286 3.180 1
1 700 . 6 1 1 A 60 60 GLN H H 60 8.074 8.358 -0.284 1
1 701 . 6 1 1 A 60 60 GLN HA H 60 4.103 3.978 0.125 1
1 708 . 6 1 1 A 60 60 GLN C C 60 176.334 177.637 -1.303 1
1 709 . 6 1 1 A 60 60 GLN CA C 60 56.820 58.782 -1.962 1
1 710 . 6 1 1 A 60 60 GLN CB C 60 29.003 28.118 0.885 1
1 712 . 6 1 1 A 60 60 GLN N N 60 120.517 118.617 1.900 1
1 714 . 6 1 1 A 61 61 TYR H H 61 8.001 8.077 -0.076 1
1 715 . 6 1 1 A 61 61 TYR HA H 61 4.544 4.496 0.048 1
1 722 . 6 1 1 A 61 61 TYR C C 61 176.456 175.901 0.555 1
1 723 . 6 1 1 A 61 61 TYR CA C 61 58.442 59.382 -0.940 1
1 724 . 6 1 1 A 61 61 TYR CB C 61 38.408 39.678 -1.270 1
1 729 . 6 1 1 A 61 61 TYR N N 61 119.641 116.334 3.307 1
1 730 . 6 1 1 A 62 62 SER H H 62 8.071 8.153 -0.082 1
1 731 . 6 1 1 A 62 62 SER HA H 62 4.371 4.456 -0.085 1
1 734 . 6 1 1 A 62 62 SER C C 62 174.440 173.914 0.526 1
1 735 . 6 1 1 A 62 62 SER CA C 62 58.830 57.482 1.348 1
1 736 . 6 1 1 A 62 62 SER CB C 62 63.806 64.049 -0.243 1
1 737 . 6 1 1 A 62 62 SER N N 62 116.272 114.450 1.822 1
1 738 . 6 1 1 A 63 63 ASN HA H 63 4.737 4.718 0.019 1
1 743 . 6 1 1 A 63 63 ASN CA C 63 50.823 53.978 -3.155 1
1 744 . 6 1 1 A 63 63 ASN CB C 63 38.920 38.619 0.301 1
1 746 . 6 1 1 A 64 64 SER HA H 64 4.407 4.977 -0.570 1
1 749 . 6 1 1 A 64 64 SER C C 64 174.610 173.406 1.204 1
1 750 . 6 1 1 A 64 64 SER CA C 64 58.794 57.517 1.277 1
1 751 . 6 1 1 A 64 64 SER CB C 64 63.727 66.525 -2.798 1
1 752 . 6 1 1 A 65 65 ARG H H 65 8.263 8.475 -0.212 1
1 753 . 6 1 1 A 65 65 ARG HA H 65 4.405 4.276 0.129 1
1 760 . 6 1 1 A 65 65 ARG C C 65 176.310 176.095 0.215 1
1 761 . 6 1 1 A 65 65 ARG CA C 65 56.185 56.485 -0.300 1
1 762 . 6 1 1 A 65 65 ARG CB C 65 30.643 30.773 -0.130 1
1 765 . 6 1 1 A 65 65 ARG N N 65 122.520 125.741 -3.221 1
1 766 . 6 1 1 A 66 66 SER H H 66 8.253 8.994 -0.741 1
1 767 . 6 1 1 A 66 66 SER HA H 66 4.507 4.583 -0.076 1
1 770 . 6 1 1 A 66 66 SER C C 66 174.489 175.110 -0.621 1
1 771 . 6 1 1 A 66 66 SER CA C 66 58.320 59.860 -1.540 1
1 772 . 6 1 1 A 66 66 SER CB C 66 63.974 64.152 -0.178 1
1 773 . 6 1 1 A 66 66 SER N N 66 116.498 117.893 -1.395 1
1 774 . 6 1 1 A 67 67 GLY H H 67 8.201 7.798 0.403 1
1 775 . 6 1 1 A 67 67 GLY HA2 H 67 4.113 4.093 0.020 1
1 776 . 6 1 1 A 67 67 GLY C C 67 171.769 173.386 -1.617 1
1 777 . 6 1 1 A 67 67 GLY CA C 67 44.689 43.968 0.721 1
1 778 . 6 1 1 A 67 67 GLY N N 67 110.648 106.905 3.743 1
1 781 . 6 1 1 A 69 69 SER HA H 69 4.481 4.344 0.137 1
1 784 . 6 1 1 A 69 69 SER C C 69 174.659 175.658 -0.999 1
1 785 . 6 1 1 A 69 69 SER CA C 69 58.371 60.158 -1.787 1
1 786 . 6 1 1 A 69 69 SER CB C 69 63.645 63.663 -0.018 1
1 787 . 6 1 1 A 70 70 SER H H 70 8.303 8.639 -0.336 1
1 788 . 6 1 1 A 70 70 SER HA H 70 4.473 4.151 0.322 1
1 791 . 6 1 1 A 70 70 SER C C 70 173.930 174.828 -0.898 1
1 792 . 6 1 1 A 70 70 SER CA C 70 58.406 62.324 -3.918 1
1 793 . 6 1 1 A 70 70 SER CB C 70 64.057 62.660 1.397 1
1 794 . 6 1 1 A 70 70 SER N N 70 117.757 120.796 -3.039 1
1 1 . 7 1 1 A 7 7 GLY HA2 H 7 3.980 4.278 -0.298 1
1 2 . 7 1 1 A 7 7 GLY HA3 H 7 3.980 4.279 -0.299 1
1 3 . 7 1 1 A 7 7 GLY C C 7 173.809 175.396 -1.587 1
1 4 . 7 1 1 A 7 7 GLY CA C 7 45.148 45.702 -0.554 1
1 5 . 7 1 1 A 8 8 SER H H 8 8.167 8.252 -0.085 1
1 6 . 7 1 1 A 8 8 SER C C 8 172.741 175.001 -2.260 1
1 7 . 7 1 1 A 8 8 SER CA C 8 56.432 63.404 -6.972 1
1 8 . 7 1 1 A 8 8 SER CB C 8 63.397 61.596 1.801 1
1 9 . 7 1 1 A 8 8 SER N N 8 116.986 115.790 1.196 1
1 10 . 7 1 1 A 9 9 PRO HA H 9 4.471 4.685 -0.214 1
1 17 . 7 1 1 A 9 9 PRO C C 9 176.771 175.290 1.481 1
1 18 . 7 1 1 A 9 9 PRO CA C 9 63.244 62.294 0.950 1
1 19 . 7 1 1 A 9 9 PRO CB C 9 32.121 32.767 -0.646 1
1 22 . 7 1 1 A 10 10 ILE H H 10 8.173 8.361 -0.188 1
1 23 . 7 1 1 A 10 10 ILE HA H 10 4.084 4.809 -0.725 1
1 33 . 7 1 1 A 10 10 ILE C C 10 175.703 174.823 0.880 1
1 34 . 7 1 1 A 10 10 ILE CA C 10 61.051 59.444 1.607 1
1 35 . 7 1 1 A 10 10 ILE CB C 10 38.806 40.969 -2.163 1
1 39 . 7 1 1 A 10 10 ILE N N 10 120.782 120.868 -0.086 1
1 40 . 7 1 1 A 11 11 ASN H H 11 8.538 8.584 -0.046 1
1 41 . 7 1 1 A 11 11 ASN HA H 11 4.992 5.104 -0.112 1
1 46 . 7 1 1 A 11 11 ASN C C 11 173.785 175.007 -1.222 1
1 47 . 7 1 1 A 11 11 ASN CA C 11 50.794 49.383 1.411 1
1 48 . 7 1 1 A 11 11 ASN CB C 11 39.063 40.222 -1.159 1
1 49 . 7 1 1 A 11 11 ASN N N 11 123.456 125.219 -1.763 1
1 51 . 7 1 1 A 12 12 PRO HA H 12 4.328 4.306 0.022 1
1 58 . 7 1 1 A 12 12 PRO C C 12 176.674 178.230 -1.556 1
1 59 . 7 1 1 A 12 12 PRO CA C 12 63.616 65.158 -1.542 1
1 60 . 7 1 1 A 12 12 PRO CB C 12 31.997 31.952 0.045 1
1 63 . 7 1 1 A 13 13 TYR H H 13 7.994 7.918 0.076 1
1 64 . 7 1 1 A 13 13 TYR HA H 13 4.574 4.645 -0.071 1
1 71 . 7 1 1 A 13 13 TYR C C 13 176.237 177.533 -1.296 1
1 72 . 7 1 1 A 13 13 TYR CA C 13 57.866 60.477 -2.611 1
1 73 . 7 1 1 A 13 13 TYR CB C 13 38.013 38.594 -0.581 1
1 78 . 7 1 1 A 13 13 TYR N N 13 118.352 116.101 2.251 1
1 79 . 7 1 1 A 14 14 LYS H H 14 7.727 6.794 0.933 1
1 80 . 7 1 1 A 14 14 LYS HA H 14 4.131 3.929 0.202 1
1 88 . 7 1 1 A 14 14 LYS C C 14 176.626 177.909 -1.283 1
1 89 . 7 1 1 A 14 14 LYS CA C 14 57.704 59.854 -2.150 1
1 90 . 7 1 1 A 14 14 LYS CB C 14 33.154 32.209 0.945 1
1 94 . 7 1 1 A 14 14 LYS N N 14 121.585 121.723 -0.138 1
1 95 . 7 1 1 A 15 15 ASP H H 15 8.374 7.963 0.411 1
1 96 . 7 1 1 A 15 15 ASP HA H 15 4.620 4.210 0.410 1
1 99 . 7 1 1 A 15 15 ASP C C 15 174.125 178.438 -4.313 1
1 100 . 7 1 1 A 15 15 ASP CA C 15 54.763 57.189 -2.426 1
1 101 . 7 1 1 A 15 15 ASP CB C 15 40.533 40.857 -0.324 1
1 102 . 7 1 1 A 15 15 ASP N N 15 119.870 119.281 0.589 1
1 103 . 7 1 1 A 16 16 HIS H H 16 8.034 8.113 -0.079 1
1 104 . 7 1 1 A 16 16 HIS HA H 16 4.419 4.278 0.141 1
1 109 . 7 1 1 A 16 16 HIS CA C 16 58.742 59.117 -0.375 1
1 110 . 7 1 1 A 16 16 HIS CB C 16 30.675 29.613 1.062 1
1 113 . 7 1 1 A 16 16 HIS N N 16 124.264 117.965 6.299 1
1 114 . 7 1 1 A 17 17 MET H H 17 8.049 8.238 -0.189 1
1 115 . 7 1 1 A 17 17 MET HA H 17 4.160 3.966 0.194 1
1 123 . 7 1 1 A 17 17 MET CA C 17 57.275 57.988 -0.713 1
1 124 . 7 1 1 A 17 17 MET CB C 17 31.055 33.367 -2.312 1
1 127 . 7 1 1 A 17 17 MET N N 17 117.829 118.032 -0.203 1
1 128 . 7 1 1 A 18 18 SER HA H 18 4.134 4.116 0.018 1
1 131 . 7 1 1 A 18 18 SER C C 18 176.941 176.270 0.671 1
1 132 . 7 1 1 A 18 18 SER CA C 18 61.889 62.429 -0.540 1
1 133 . 7 1 1 A 18 18 SER CB C 18 62.424 62.514 -0.090 1
1 134 . 7 1 1 A 19 19 VAL H H 19 7.568 8.040 -0.472 1
1 135 . 7 1 1 A 19 19 VAL HA H 19 3.809 3.548 0.261 1
1 143 . 7 1 1 A 19 19 VAL C C 19 177.913 177.614 0.299 1
1 144 . 7 1 1 A 19 19 VAL CA C 19 65.637 65.644 -0.007 1
1 145 . 7 1 1 A 19 19 VAL CB C 19 31.737 31.588 0.149 1
1 148 . 7 1 1 A 19 19 VAL N N 19 122.341 120.406 1.935 1
1 149 . 7 1 1 A 20 20 LEU H H 20 7.788 8.147 -0.359 1
1 150 . 7 1 1 A 20 20 LEU HA H 20 3.940 4.118 -0.178 1
1 160 . 7 1 1 A 20 20 LEU C C 20 178.520 179.892 -1.372 1
1 161 . 7 1 1 A 20 20 LEU CA C 20 58.336 58.279 0.057 1
1 162 . 7 1 1 A 20 20 LEU CB C 20 39.138 40.892 -1.754 1
1 166 . 7 1 1 A 20 20 LEU N N 20 120.156 121.788 -1.632 1
1 167 . 7 1 1 A 21 21 LYS H H 21 8.067 8.270 -0.203 1
1 168 . 7 1 1 A 21 21 LYS HA H 21 4.047 4.432 -0.385 1
1 175 . 7 1 1 A 21 21 LYS C C 21 179.102 179.458 -0.356 1
1 176 . 7 1 1 A 21 21 LYS CA C 21 60.667 59.627 1.040 1
1 177 . 7 1 1 A 21 21 LYS CB C 21 32.519 32.277 0.242 1
1 181 . 7 1 1 A 21 21 LYS N N 21 117.374 118.174 -0.800 1
1 182 . 7 1 1 A 22 22 ALA H H 22 7.718 7.966 -0.248 1
1 183 . 7 1 1 A 22 22 ALA HA H 22 4.217 4.104 0.113 1
1 187 . 7 1 1 A 22 22 ALA C C 22 180.486 179.254 1.232 1
1 188 . 7 1 1 A 22 22 ALA CA C 22 54.954 54.823 0.131 1
1 189 . 7 1 1 A 22 22 ALA CB C 22 17.934 18.124 -0.190 1
1 190 . 7 1 1 A 22 22 ALA N N 22 122.528 122.231 0.297 1
1 191 . 7 1 1 A 23 23 TYR H H 23 8.036 7.642 0.394 1
1 192 . 7 1 1 A 23 23 TYR HA H 23 4.291 4.420 -0.129 1
1 199 . 7 1 1 A 23 23 TYR C C 23 178.860 178.478 0.382 1
1 200 . 7 1 1 A 23 23 TYR CA C 23 62.616 61.478 1.138 1
1 201 . 7 1 1 A 23 23 TYR CB C 23 38.455 38.114 0.341 1
1 206 . 7 1 1 A 23 23 TYR N N 23 117.835 116.093 1.742 1
1 207 . 7 1 1 A 24 24 TYR H H 24 8.856 8.270 0.586 1
1 208 . 7 1 1 A 24 24 TYR HA H 24 4.420 4.854 -0.434 1
1 215 . 7 1 1 A 24 24 TYR C C 24 175.484 177.009 -1.525 1
1 216 . 7 1 1 A 24 24 TYR CA C 24 61.291 62.085 -0.794 1
1 217 . 7 1 1 A 24 24 TYR CB C 24 38.629 38.736 -0.107 1
1 222 . 7 1 1 A 24 24 TYR N N 24 122.534 120.546 1.988 1
1 223 . 7 1 1 A 25 25 ALA H H 25 7.616 8.621 -1.005 1
1 224 . 7 1 1 A 25 25 ALA HA H 25 4.084 4.198 -0.114 1
1 228 . 7 1 1 A 25 25 ALA C C 25 179.224 179.932 -0.708 1
1 229 . 7 1 1 A 25 25 ALA CA C 25 53.893 55.329 -1.436 1
1 230 . 7 1 1 A 25 25 ALA CB C 25 18.433 18.561 -0.128 1
1 231 . 7 1 1 A 25 25 ALA N N 25 116.147 121.666 -5.519 1
1 232 . 7 1 1 A 26 26 MET H H 26 7.379 7.871 -0.492 1
1 233 . 7 1 1 A 26 26 MET HA H 26 4.353 4.298 0.055 1
1 241 . 7 1 1 A 26 26 MET C C 26 176.529 176.234 0.295 1
1 242 . 7 1 1 A 26 26 MET CA C 26 56.724 58.756 -2.032 1
1 243 . 7 1 1 A 26 26 MET CB C 26 33.645 33.090 0.555 1
1 246 . 7 1 1 A 26 26 MET N N 26 114.990 116.948 -1.958 1
1 247 . 7 1 1 A 27 27 ASN H H 27 7.865 8.028 -0.163 1
1 248 . 7 1 1 A 27 27 ASN HA H 27 4.562 4.971 -0.409 1
1 253 . 7 1 1 A 27 27 ASN C C 27 173.323 175.558 -2.235 1
1 254 . 7 1 1 A 27 27 ASN CA C 27 53.143 51.674 1.469 1
1 255 . 7 1 1 A 27 27 ASN CB C 27 38.096 39.886 -1.790 1
1 256 . 7 1 1 A 27 27 ASN N N 27 117.385 116.650 0.735 1
1 258 . 7 1 1 A 28 28 MET H H 28 8.400 8.450 -0.050 1
1 259 . 7 1 1 A 28 28 MET HA H 28 4.064 3.779 0.285 1
1 267 . 7 1 1 A 28 28 MET C C 28 175.557 176.384 -0.827 1
1 268 . 7 1 1 A 28 28 MET CA C 28 57.419 58.252 -0.833 1
1 269 . 7 1 1 A 28 28 MET CB C 28 33.795 32.941 0.854 1
1 272 . 7 1 1 A 28 28 MET N N 28 121.660 123.570 -1.910 1
1 273 . 7 1 1 A 29 29 GLU H H 29 7.821 8.076 -0.255 1
1 274 . 7 1 1 A 29 29 GLU HA H 29 4.757 4.516 0.241 1
1 279 . 7 1 1 A 29 29 GLU C C 29 172.328 173.329 -1.001 1
1 280 . 7 1 1 A 29 29 GLU CA C 29 53.293 53.056 0.237 1
1 281 . 7 1 1 A 29 29 GLU CB C 29 30.761 30.176 0.585 1
1 283 . 7 1 1 A 29 29 GLU N N 29 116.541 118.708 -2.167 1
1 284 . 7 1 1 A 30 30 PRO HA H 30 4.475 4.452 0.023 1
1 291 . 7 1 1 A 30 30 PRO C C 30 177.014 176.494 0.520 1
1 292 . 7 1 1 A 30 30 PRO CA C 30 62.603 62.407 0.196 1
1 293 . 7 1 1 A 30 30 PRO CB C 30 31.915 32.141 -0.226 1
1 296 . 7 1 1 A 31 31 ASN H H 31 8.909 8.284 0.625 1
1 297 . 7 1 1 A 31 31 ASN HA H 31 4.673 4.898 -0.225 1
1 302 . 7 1 1 A 31 31 ASN C C 31 175.460 176.340 -0.880 1
1 303 . 7 1 1 A 31 31 ASN CA C 31 51.303 51.505 -0.202 1
1 304 . 7 1 1 A 31 31 ASN CB C 31 38.261 39.434 -1.173 1
1 305 . 7 1 1 A 31 31 ASN N N 31 120.499 119.602 0.897 1
1 307 . 7 1 1 A 32 32 SER H H 32 8.486 9.100 -0.614 1
1 308 . 7 1 1 A 32 32 SER HA H 32 4.024 3.973 0.051 1
1 311 . 7 1 1 A 32 32 SER C C 32 176.650 176.291 0.359 1
1 312 . 7 1 1 A 32 32 SER CA C 32 62.621 62.259 0.362 1
1 313 . 7 1 1 A 32 32 SER CB C 32 62.675 62.891 -0.216 1
1 314 . 7 1 1 A 32 32 SER N N 32 112.460 116.026 -3.566 1
1 315 . 7 1 1 A 33 33 ASP H H 33 7.935 8.331 -0.396 1
1 316 . 7 1 1 A 33 33 ASP HA H 33 4.441 4.274 0.167 1
1 319 . 7 1 1 A 33 33 ASP C C 33 178.811 179.027 -0.216 1
1 320 . 7 1 1 A 33 33 ASP CA C 33 57.456 57.616 -0.160 1
1 321 . 7 1 1 A 33 33 ASP CB C 33 40.870 40.394 0.476 1
1 322 . 7 1 1 A 33 33 ASP N N 33 122.575 122.108 0.467 1
1 323 . 7 1 1 A 34 34 GLU H H 34 8.442 7.810 0.632 1
1 324 . 7 1 1 A 34 34 GLU HA H 34 3.898 3.941 -0.043 1
1 329 . 7 1 1 A 34 34 GLU C C 34 179.127 178.959 0.168 1
1 330 . 7 1 1 A 34 34 GLU CA C 34 59.041 59.220 -0.179 1
1 331 . 7 1 1 A 34 34 GLU CB C 34 29.854 29.394 0.460 1
1 333 . 7 1 1 A 34 34 GLU N N 34 121.743 119.292 2.451 1
1 334 . 7 1 1 A 35 35 LEU H H 35 8.723 8.400 0.323 1
1 335 . 7 1 1 A 35 35 LEU HA H 35 3.735 3.725 0.010 1
1 345 . 7 1 1 A 35 35 LEU C C 35 179.321 179.049 0.272 1
1 346 . 7 1 1 A 35 35 LEU CA C 35 58.118 57.986 0.132 1
1 347 . 7 1 1 A 35 35 LEU CB C 35 42.428 41.594 0.834 1
1 351 . 7 1 1 A 35 35 LEU N N 35 119.674 120.822 -1.148 1
1 352 . 7 1 1 A 36 36 LEU H H 36 7.651 8.181 -0.530 1
1 353 . 7 1 1 A 36 36 LEU HA H 36 4.039 3.921 0.118 1
1 363 . 7 1 1 A 36 36 LEU C C 36 178.908 178.436 0.472 1
1 364 . 7 1 1 A 36 36 LEU CA C 36 58.414 58.763 -0.349 1
1 365 . 7 1 1 A 36 36 LEU CB C 36 41.040 41.934 -0.894 1
1 369 . 7 1 1 A 36 36 LEU N N 36 121.058 119.866 1.192 1
1 370 . 7 1 1 A 37 37 LYS H H 37 7.704 7.743 -0.039 1
1 371 . 7 1 1 A 37 37 LYS HA H 37 3.874 3.978 -0.104 1
1 379 . 7 1 1 A 37 37 LYS C C 37 180.025 178.974 1.051 1
1 380 . 7 1 1 A 37 37 LYS CA C 37 60.345 59.281 1.064 1
1 381 . 7 1 1 A 37 37 LYS CB C 37 32.327 32.448 -0.121 1
1 385 . 7 1 1 A 37 37 LYS N N 37 119.032 117.941 1.091 1
1 386 . 7 1 1 A 38 38 ILE H H 38 8.413 8.221 0.192 1
1 387 . 7 1 1 A 38 38 ILE HA H 38 3.296 3.394 -0.098 1
1 397 . 7 1 1 A 38 38 ILE C C 38 177.063 177.854 -0.791 1
1 398 . 7 1 1 A 38 38 ILE CA C 38 65.479 65.302 0.177 1
1 399 . 7 1 1 A 38 38 ILE CB C 38 38.384 37.614 0.770 1
1 403 . 7 1 1 A 38 38 ILE N N 38 120.466 121.211 -0.745 1
1 404 . 7 1 1 A 39 39 SER H H 39 8.183 8.031 0.152 1
1 405 . 7 1 1 A 39 39 SER HA H 39 4.047 4.367 -0.320 1
1 408 . 7 1 1 A 39 39 SER C C 39 176.359 177.178 -0.819 1
1 409 . 7 1 1 A 39 39 SER CA C 39 62.620 60.812 1.808 1
1 410 . 7 1 1 A 39 39 SER CB C 39 62.548 63.072 -0.524 1
1 411 . 7 1 1 A 39 39 SER N N 39 115.371 113.782 1.589 1
1 412 . 7 1 1 A 40 40 ILE H H 40 7.983 7.616 0.367 1
1 413 . 7 1 1 A 40 40 ILE HA H 40 3.785 3.798 -0.013 1
1 423 . 7 1 1 A 40 40 ILE C C 40 178.714 177.686 1.028 1
1 424 . 7 1 1 A 40 40 ILE CA C 40 64.307 64.946 -0.639 1
1 425 . 7 1 1 A 40 40 ILE CB C 40 38.440 37.959 0.481 1
1 429 . 7 1 1 A 40 40 ILE N N 40 121.913 122.350 -0.437 1
1 430 . 7 1 1 A 41 41 ALA H H 41 7.886 8.878 -0.992 1
1 431 . 7 1 1 A 41 41 ALA HA H 41 4.157 4.023 0.134 1
1 435 . 7 1 1 A 41 41 ALA C C 41 180.147 179.820 0.327 1
1 436 . 7 1 1 A 41 41 ALA CA C 41 55.268 55.500 -0.232 1
1 437 . 7 1 1 A 41 41 ALA CB C 41 18.646 18.707 -0.061 1
1 438 . 7 1 1 A 41 41 ALA N N 41 122.775 122.259 0.516 1
1 439 . 7 1 1 A 42 42 VAL H H 42 8.268 7.674 0.594 1
1 440 . 7 1 1 A 42 42 VAL HA H 42 4.352 4.187 0.165 1
1 448 . 7 1 1 A 42 42 VAL C C 42 175.849 177.202 -1.353 1
1 449 . 7 1 1 A 42 42 VAL CA C 42 61.352 63.620 -2.268 1
1 450 . 7 1 1 A 42 42 VAL CB C 42 32.632 33.181 -0.549 1
1 453 . 7 1 1 A 42 42 VAL N N 42 108.944 110.588 -1.644 1
1 454 . 7 1 1 A 43 43 GLY H H 43 7.837 7.967 -0.130 1
1 455 . 7 1 1 A 43 43 GLY HA2 H 43 3.937 3.980 -0.043 1
1 456 . 7 1 1 A 43 43 GLY HA3 H 43 3.852 3.990 -0.138 1
1 457 . 7 1 1 A 43 43 GLY C C 43 174.392 174.178 0.214 1
1 458 . 7 1 1 A 43 43 GLY CA C 43 46.770 44.906 1.864 1
1 459 . 7 1 1 A 43 43 GLY N N 43 110.644 112.116 -1.472 1
1 460 . 7 1 1 A 44 44 LEU H H 44 7.483 7.657 -0.174 1
1 461 . 7 1 1 A 44 44 LEU HA H 44 4.833 4.457 0.376 1
1 471 . 7 1 1 A 44 44 LEU C C 44 173.348 174.833 -1.485 1
1 472 . 7 1 1 A 44 44 LEU CA C 44 51.178 52.831 -1.653 1
1 473 . 7 1 1 A 44 44 LEU CB C 44 45.096 41.124 3.972 1
1 477 . 7 1 1 A 44 44 LEU N N 44 118.486 122.581 -4.095 1
1 478 . 7 1 1 A 45 45 PRO HA H 45 4.447 4.711 -0.264 1
1 485 . 7 1 1 A 45 45 PRO C C 45 178.301 177.871 0.430 1
1 486 . 7 1 1 A 45 45 PRO CA C 45 62.740 63.046 -0.306 1
1 487 . 7 1 1 A 45 45 PRO CB C 45 32.626 31.722 0.904 1
1 490 . 7 1 1 A 46 46 GLN H H 46 9.200 8.972 0.228 1
1 491 . 7 1 1 A 46 46 GLN HA H 46 4.007 4.032 -0.025 1
1 498 . 7 1 1 A 46 46 GLN C C 46 177.718 177.882 -0.164 1
1 499 . 7 1 1 A 46 46 GLN CA C 46 60.099 59.281 0.818 1
1 500 . 7 1 1 A 46 46 GLN CB C 46 28.371 28.718 -0.347 1
1 502 . 7 1 1 A 46 46 GLN N N 46 125.692 124.540 1.152 1
1 504 . 7 1 1 A 47 47 GLU H H 47 9.618 8.546 1.072 1
1 505 . 7 1 1 A 47 47 GLU HA H 47 4.036 4.096 -0.060 1
1 510 . 7 1 1 A 47 47 GLU C C 47 178.860 178.969 -0.109 1
1 511 . 7 1 1 A 47 47 GLU CA C 47 60.029 59.497 0.532 1
1 512 . 7 1 1 A 47 47 GLU CB C 47 28.746 29.665 -0.919 1
1 514 . 7 1 1 A 47 47 GLU N N 47 117.907 118.780 -0.873 1
1 515 . 7 1 1 A 48 48 PHE H H 48 7.194 8.249 -1.055 1
1 516 . 7 1 1 A 48 48 PHE HA H 48 4.385 4.275 0.110 1
1 524 . 7 1 1 A 48 48 PHE C C 48 177.524 177.437 0.087 1
1 525 . 7 1 1 A 48 48 PHE CA C 48 60.699 61.227 -0.528 1
1 526 . 7 1 1 A 48 48 PHE CB C 48 39.190 39.089 0.101 1
1 532 . 7 1 1 A 48 48 PHE N N 48 119.141 121.025 -1.884 1
1 533 . 7 1 1 A 49 49 VAL H H 49 7.761 8.317 -0.556 1
1 534 . 7 1 1 A 49 49 VAL HA H 49 3.509 3.823 -0.314 1
1 542 . 7 1 1 A 49 49 VAL C C 49 177.306 178.040 -0.734 1
1 543 . 7 1 1 A 49 49 VAL CA C 49 67.242 66.971 0.271 1
1 544 . 7 1 1 A 49 49 VAL CB C 49 31.844 31.744 0.100 1
1 547 . 7 1 1 A 49 49 VAL N N 49 120.478 119.565 0.913 1
1 548 . 7 1 1 A 50 50 LYS H H 50 8.751 8.394 0.357 1
1 549 . 7 1 1 A 50 50 LYS HA H 50 4.023 4.020 0.003 1
1 557 . 7 1 1 A 50 50 LYS C C 50 178.593 179.069 -0.476 1
1 558 . 7 1 1 A 50 50 LYS CA C 50 60.274 59.952 0.322 1
1 559 . 7 1 1 A 50 50 LYS CB C 50 32.821 32.592 0.229 1
1 563 . 7 1 1 A 50 50 LYS N N 50 119.513 120.191 -0.678 1
1 564 . 7 1 1 A 51 51 GLU H H 51 7.636 7.829 -0.193 1
1 565 . 7 1 1 A 51 51 GLU HA H 51 4.110 4.053 0.057 1
1 570 . 7 1 1 A 51 51 GLU C C 51 177.791 178.829 -1.038 1
1 571 . 7 1 1 A 51 51 GLU CA C 51 59.253 59.601 -0.348 1
1 572 . 7 1 1 A 51 51 GLU CB C 51 29.442 29.409 0.033 1
1 574 . 7 1 1 A 51 51 GLU N N 51 118.681 117.408 1.273 1
1 575 . 7 1 1 A 52 52 TRP H H 52 8.396 7.785 0.611 1
1 576 . 7 1 1 A 52 52 TRP HA H 52 3.794 4.219 -0.425 1
1 585 . 7 1 1 A 52 52 TRP C C 52 179.709 178.523 1.186 1
1 586 . 7 1 1 A 52 52 TRP CA C 52 62.688 60.574 2.114 1
1 587 . 7 1 1 A 52 52 TRP CB C 52 28.806 29.343 -0.537 1
1 593 . 7 1 1 A 52 52 TRP N N 52 121.740 122.105 -0.365 1
1 595 . 7 1 1 A 53 53 PHE H H 53 8.602 8.204 0.398 1
1 596 . 7 1 1 A 53 53 PHE HA H 53 3.899 4.250 -0.351 1
1 604 . 7 1 1 A 53 53 PHE C C 53 179.297 178.498 0.799 1
1 605 . 7 1 1 A 53 53 PHE CA C 53 63.414 61.855 1.559 1
1 606 . 7 1 1 A 53 53 PHE CB C 53 39.480 38.826 0.654 1
1 612 . 7 1 1 A 53 53 PHE N N 53 117.648 117.357 0.291 1
1 613 . 7 1 1 A 54 54 GLU H H 54 8.372 8.333 0.039 1
1 614 . 7 1 1 A 54 54 GLU HA H 54 4.070 3.985 0.085 1
1 619 . 7 1 1 A 54 54 GLU C C 54 179.540 179.251 0.289 1
1 620 . 7 1 1 A 54 54 GLU CA C 54 59.676 59.864 -0.188 1
1 621 . 7 1 1 A 54 54 GLU CB C 54 29.448 29.086 0.362 1
1 623 . 7 1 1 A 54 54 GLU N N 54 120.198 118.658 1.540 1
1 624 . 7 1 1 A 55 55 GLN H H 55 8.275 8.397 -0.122 1
1 625 . 7 1 1 A 55 55 GLN HA H 55 3.975 3.920 0.055 1
1 632 . 7 1 1 A 55 55 GLN C C 55 177.913 178.808 -0.895 1
1 633 . 7 1 1 A 55 55 GLN CA C 55 57.773 59.532 -1.759 1
1 634 . 7 1 1 A 55 55 GLN CB C 55 28.075 28.169 -0.094 1
1 636 . 7 1 1 A 55 55 GLN N N 55 117.674 118.991 -1.317 1
1 638 . 7 1 1 A 56 56 ARG H H 56 7.413 8.344 -0.931 1
1 639 . 7 1 1 A 56 56 ARG HA H 56 3.727 4.083 -0.356 1
1 646 . 7 1 1 A 56 56 ARG C C 56 177.670 179.366 -1.696 1
1 647 . 7 1 1 A 56 56 ARG CA C 56 57.278 59.986 -2.708 1
1 648 . 7 1 1 A 56 56 ARG CB C 56 29.564 29.974 -0.410 1
1 651 . 7 1 1 A 56 56 ARG N N 56 119.111 119.902 -0.791 1
1 652 . 7 1 1 A 57 57 LYS H H 57 7.468 7.997 -0.529 1
1 653 . 7 1 1 A 57 57 LYS HA H 57 4.215 4.242 -0.027 1
1 662 . 7 1 1 A 57 57 LYS C C 57 177.937 179.315 -1.378 1
1 663 . 7 1 1 A 57 57 LYS CA C 57 58.454 59.465 -1.011 1
1 664 . 7 1 1 A 57 57 LYS CB C 57 32.656 32.550 0.106 1
1 668 . 7 1 1 A 57 57 LYS N N 57 118.984 119.534 -0.550 1
1 669 . 7 1 1 A 58 58 VAL H H 58 7.564 7.698 -0.134 1
1 670 . 7 1 1 A 58 58 VAL HA H 58 3.866 3.635 0.231 1
1 678 . 7 1 1 A 58 58 VAL C C 58 177.306 177.010 0.296 1
1 679 . 7 1 1 A 58 58 VAL CA C 58 64.013 66.081 -2.068 1
1 680 . 7 1 1 A 58 58 VAL CB C 58 32.128 31.352 0.776 1
1 683 . 7 1 1 A 58 58 VAL N N 58 118.037 120.278 -2.241 1
1 684 . 7 1 1 A 59 59 TYR H H 59 7.871 7.045 0.826 1
1 685 . 7 1 1 A 59 59 TYR HA H 59 4.381 4.283 0.098 1
1 692 . 7 1 1 A 59 59 TYR C C 59 176.577 178.626 -2.049 1
1 693 . 7 1 1 A 59 59 TYR CA C 59 59.112 61.249 -2.137 1
1 694 . 7 1 1 A 59 59 TYR CB C 59 38.382 38.163 0.219 1
1 699 . 7 1 1 A 59 59 TYR N N 59 121.466 118.187 3.279 1
1 700 . 7 1 1 A 60 60 GLN H H 60 8.074 8.849 -0.775 1
1 701 . 7 1 1 A 60 60 GLN HA H 60 4.103 3.997 0.106 1
1 708 . 7 1 1 A 60 60 GLN C C 60 176.334 177.310 -0.976 1
1 709 . 7 1 1 A 60 60 GLN CA C 60 56.820 58.790 -1.970 1
1 710 . 7 1 1 A 60 60 GLN CB C 60 29.003 28.125 0.878 1
1 712 . 7 1 1 A 60 60 GLN N N 60 120.517 119.010 1.507 1
1 714 . 7 1 1 A 61 61 TYR H H 61 8.001 7.845 0.156 1
1 715 . 7 1 1 A 61 61 TYR HA H 61 4.544 4.444 0.100 1
1 722 . 7 1 1 A 61 61 TYR C C 61 176.456 176.177 0.279 1
1 723 . 7 1 1 A 61 61 TYR CA C 61 58.442 59.238 -0.796 1
1 724 . 7 1 1 A 61 61 TYR CB C 61 38.408 39.876 -1.468 1
1 729 . 7 1 1 A 61 61 TYR N N 61 119.641 116.068 3.573 1
1 730 . 7 1 1 A 62 62 SER H H 62 8.071 7.827 0.244 1
1 731 . 7 1 1 A 62 62 SER HA H 62 4.371 4.637 -0.266 1
1 734 . 7 1 1 A 62 62 SER C C 62 174.440 174.375 0.065 1
1 735 . 7 1 1 A 62 62 SER CA C 62 58.830 58.567 0.263 1
1 736 . 7 1 1 A 62 62 SER CB C 62 63.806 64.794 -0.988 1
1 737 . 7 1 1 A 62 62 SER N N 62 116.272 114.942 1.330 1
1 738 . 7 1 1 A 63 63 ASN HA H 63 4.737 4.933 -0.196 1
1 743 . 7 1 1 A 63 63 ASN CA C 63 50.823 52.434 -1.611 1
1 744 . 7 1 1 A 63 63 ASN CB C 63 38.920 39.836 -0.916 1
1 746 . 7 1 1 A 64 64 SER HA H 64 4.407 5.022 -0.615 1
1 749 . 7 1 1 A 64 64 SER C C 64 174.610 174.320 0.290 1
1 750 . 7 1 1 A 64 64 SER CA C 64 58.794 57.472 1.322 1
1 751 . 7 1 1 A 64 64 SER CB C 64 63.727 66.828 -3.101 1
1 752 . 7 1 1 A 65 65 ARG H H 65 8.263 8.930 -0.667 1
1 753 . 7 1 1 A 65 65 ARG HA H 65 4.405 3.997 0.408 1
1 760 . 7 1 1 A 65 65 ARG C C 65 176.310 176.058 0.252 1
1 761 . 7 1 1 A 65 65 ARG CA C 65 56.185 59.404 -3.219 1
1 762 . 7 1 1 A 65 65 ARG CB C 65 30.643 30.606 0.037 1
1 765 . 7 1 1 A 65 65 ARG N N 65 122.520 125.751 -3.231 1
1 766 . 7 1 1 A 66 66 SER H H 66 8.253 7.911 0.342 1
1 767 . 7 1 1 A 66 66 SER HA H 66 4.507 4.646 -0.139 1
1 770 . 7 1 1 A 66 66 SER C C 66 174.489 173.950 0.539 1
1 771 . 7 1 1 A 66 66 SER CA C 66 58.320 57.445 0.875 1
1 772 . 7 1 1 A 66 66 SER CB C 66 63.974 64.329 -0.355 1
1 773 . 7 1 1 A 66 66 SER N N 66 116.498 111.009 5.489 1
1 774 . 7 1 1 A 67 67 GLY H H 67 8.201 8.741 -0.540 1
1 775 . 7 1 1 A 67 67 GLY HA2 H 67 4.113 4.324 -0.211 1
1 776 . 7 1 1 A 67 67 GLY C C 67 171.769 172.270 -0.501 1
1 777 . 7 1 1 A 67 67 GLY CA C 67 44.689 44.443 0.246 1
1 778 . 7 1 1 A 67 67 GLY N N 67 110.648 110.671 -0.023 1
1 781 . 7 1 1 A 69 69 SER HA H 69 4.481 4.723 -0.242 1
1 784 . 7 1 1 A 69 69 SER C C 69 174.659 174.814 -0.155 1
1 785 . 7 1 1 A 69 69 SER CA C 69 58.371 56.990 1.381 1
1 786 . 7 1 1 A 69 69 SER CB C 69 63.645 64.638 -0.993 1
1 787 . 7 1 1 A 70 70 SER H H 70 8.303 8.834 -0.531 1
1 788 . 7 1 1 A 70 70 SER HA H 70 4.473 4.189 0.284 1
1 791 . 7 1 1 A 70 70 SER C C 70 173.930 173.547 0.383 1
1 792 . 7 1 1 A 70 70 SER CA C 70 58.406 59.090 -0.684 1
1 793 . 7 1 1 A 70 70 SER CB C 70 64.057 61.014 3.043 1
1 794 . 7 1 1 A 70 70 SER N N 70 117.757 121.914 -4.157 1
1 1 . 8 1 1 A 7 7 GLY HA2 H 7 3.980 4.157 -0.177 1
1 2 . 8 1 1 A 7 7 GLY HA3 H 7 3.980 4.158 -0.178 1
1 3 . 8 1 1 A 7 7 GLY C C 7 173.809 173.399 0.410 1
1 4 . 8 1 1 A 7 7 GLY CA C 7 45.148 45.813 -0.665 1
1 5 . 8 1 1 A 8 8 SER H H 8 8.167 8.660 -0.493 1
1 6 . 8 1 1 A 8 8 SER C C 8 172.741 173.107 -0.366 1
1 7 . 8 1 1 A 8 8 SER CA C 8 56.432 58.535 -2.103 1
1 8 . 8 1 1 A 8 8 SER CB C 8 63.397 61.612 1.785 1
1 9 . 8 1 1 A 8 8 SER N N 8 116.986 115.023 1.963 1
1 10 . 8 1 1 A 9 9 PRO HA H 9 4.471 4.549 -0.078 1
1 17 . 8 1 1 A 9 9 PRO C C 9 176.771 175.336 1.435 1
1 18 . 8 1 1 A 9 9 PRO CA C 9 63.244 62.300 0.944 1
1 19 . 8 1 1 A 9 9 PRO CB C 9 32.121 33.004 -0.883 1
1 22 . 8 1 1 A 10 10 ILE H H 10 8.173 8.375 -0.202 1
1 23 . 8 1 1 A 10 10 ILE HA H 10 4.084 4.759 -0.675 1
1 33 . 8 1 1 A 10 10 ILE C C 10 175.703 174.999 0.704 1
1 34 . 8 1 1 A 10 10 ILE CA C 10 61.051 59.831 1.220 1
1 35 . 8 1 1 A 10 10 ILE CB C 10 38.806 40.890 -2.084 1
1 39 . 8 1 1 A 10 10 ILE N N 10 120.782 120.994 -0.212 1
1 40 . 8 1 1 A 11 11 ASN H H 11 8.538 8.529 0.009 1
1 41 . 8 1 1 A 11 11 ASN HA H 11 4.992 5.264 -0.272 1
1 46 . 8 1 1 A 11 11 ASN C C 11 173.785 175.187 -1.402 1
1 47 . 8 1 1 A 11 11 ASN CA C 11 50.794 49.614 1.180 1
1 48 . 8 1 1 A 11 11 ASN CB C 11 39.063 40.564 -1.501 1
1 49 . 8 1 1 A 11 11 ASN N N 11 123.456 124.864 -1.408 1
1 51 . 8 1 1 A 12 12 PRO HA H 12 4.328 4.380 -0.052 1
1 58 . 8 1 1 A 12 12 PRO C C 12 176.674 177.217 -0.543 1
1 59 . 8 1 1 A 12 12 PRO CA C 12 63.616 65.240 -1.624 1
1 60 . 8 1 1 A 12 12 PRO CB C 12 31.997 31.906 0.091 1
1 63 . 8 1 1 A 13 13 TYR H H 13 7.994 8.155 -0.161 1
1 64 . 8 1 1 A 13 13 TYR HA H 13 4.574 4.704 -0.130 1
1 71 . 8 1 1 A 13 13 TYR C C 13 176.237 177.695 -1.458 1
1 72 . 8 1 1 A 13 13 TYR CA C 13 57.866 58.341 -0.475 1
1 73 . 8 1 1 A 13 13 TYR CB C 13 38.013 39.959 -1.946 1
1 78 . 8 1 1 A 13 13 TYR N N 13 118.352 116.041 2.311 1
1 79 . 8 1 1 A 14 14 LYS H H 14 7.727 7.349 0.378 1
1 80 . 8 1 1 A 14 14 LYS HA H 14 4.131 3.668 0.463 1
1 88 . 8 1 1 A 14 14 LYS C C 14 176.626 178.618 -1.992 1
1 89 . 8 1 1 A 14 14 LYS CA C 14 57.704 58.818 -1.114 1
1 90 . 8 1 1 A 14 14 LYS CB C 14 33.154 31.461 1.693 1
1 94 . 8 1 1 A 14 14 LYS N N 14 121.585 121.663 -0.078 1
1 95 . 8 1 1 A 15 15 ASP H H 15 8.374 8.019 0.355 1
1 96 . 8 1 1 A 15 15 ASP HA H 15 4.620 4.233 0.387 1
1 99 . 8 1 1 A 15 15 ASP C C 15 174.125 178.390 -4.265 1
1 100 . 8 1 1 A 15 15 ASP CA C 15 54.763 57.388 -2.625 1
1 101 . 8 1 1 A 15 15 ASP CB C 15 40.533 41.892 -1.359 1
1 102 . 8 1 1 A 15 15 ASP N N 15 119.870 119.513 0.357 1
1 103 . 8 1 1 A 16 16 HIS H H 16 8.034 8.272 -0.238 1
1 104 . 8 1 1 A 16 16 HIS HA H 16 4.419 4.304 0.115 1
1 109 . 8 1 1 A 16 16 HIS CA C 16 58.742 59.023 -0.281 1
1 110 . 8 1 1 A 16 16 HIS CB C 16 30.675 29.660 1.015 1
1 113 . 8 1 1 A 16 16 HIS N N 16 124.264 118.168 6.096 1
1 114 . 8 1 1 A 17 17 MET H H 17 8.049 8.201 -0.152 1
1 115 . 8 1 1 A 17 17 MET HA H 17 4.160 4.030 0.130 1
1 123 . 8 1 1 A 17 17 MET CA C 17 57.275 58.147 -0.872 1
1 124 . 8 1 1 A 17 17 MET CB C 17 31.055 33.493 -2.438 1
1 127 . 8 1 1 A 17 17 MET N N 17 117.829 118.061 -0.232 1
1 128 . 8 1 1 A 18 18 SER HA H 18 4.134 4.085 0.049 1
1 131 . 8 1 1 A 18 18 SER C C 18 176.941 176.170 0.771 1
1 132 . 8 1 1 A 18 18 SER CA C 18 61.889 62.264 -0.375 1
1 133 . 8 1 1 A 18 18 SER CB C 18 62.424 62.500 -0.076 1
1 134 . 8 1 1 A 19 19 VAL H H 19 7.568 8.033 -0.465 1
1 135 . 8 1 1 A 19 19 VAL HA H 19 3.809 3.490 0.319 1
1 143 . 8 1 1 A 19 19 VAL C C 19 177.913 177.583 0.330 1
1 144 . 8 1 1 A 19 19 VAL CA C 19 65.637 65.519 0.118 1
1 145 . 8 1 1 A 19 19 VAL CB C 19 31.737 31.700 0.037 1
1 148 . 8 1 1 A 19 19 VAL N N 19 122.341 120.437 1.904 1
1 149 . 8 1 1 A 20 20 LEU H H 20 7.788 8.108 -0.320 1
1 150 . 8 1 1 A 20 20 LEU HA H 20 3.940 3.936 0.004 1
1 160 . 8 1 1 A 20 20 LEU C C 20 178.520 179.716 -1.196 1
1 161 . 8 1 1 A 20 20 LEU CA C 20 58.336 58.068 0.268 1
1 162 . 8 1 1 A 20 20 LEU CB C 20 39.138 40.577 -1.439 1
1 166 . 8 1 1 A 20 20 LEU N N 20 120.156 121.691 -1.535 1
1 167 . 8 1 1 A 21 21 LYS H H 21 8.067 8.229 -0.162 1
1 168 . 8 1 1 A 21 21 LYS HA H 21 4.047 4.347 -0.300 1
1 175 . 8 1 1 A 21 21 LYS C C 21 179.102 179.166 -0.064 1
1 176 . 8 1 1 A 21 21 LYS CA C 21 60.667 59.610 1.057 1
1 177 . 8 1 1 A 21 21 LYS CB C 21 32.519 32.193 0.326 1
1 181 . 8 1 1 A 21 21 LYS N N 21 117.374 118.174 -0.800 1
1 182 . 8 1 1 A 22 22 ALA H H 22 7.718 7.948 -0.230 1
1 183 . 8 1 1 A 22 22 ALA HA H 22 4.217 4.094 0.123 1
1 187 . 8 1 1 A 22 22 ALA C C 22 180.486 179.873 0.613 1
1 188 . 8 1 1 A 22 22 ALA CA C 22 54.954 55.093 -0.139 1
1 189 . 8 1 1 A 22 22 ALA CB C 22 17.934 18.501 -0.567 1
1 190 . 8 1 1 A 22 22 ALA N N 22 122.528 122.111 0.417 1
1 191 . 8 1 1 A 23 23 TYR H H 23 8.036 8.049 -0.013 1
1 192 . 8 1 1 A 23 23 TYR HA H 23 4.291 4.357 -0.066 1
1 199 . 8 1 1 A 23 23 TYR C C 23 178.860 178.315 0.545 1
1 200 . 8 1 1 A 23 23 TYR CA C 23 62.616 61.075 1.541 1
1 201 . 8 1 1 A 23 23 TYR CB C 23 38.455 38.659 -0.204 1
1 206 . 8 1 1 A 23 23 TYR N N 23 117.835 116.996 0.839 1
1 207 . 8 1 1 A 24 24 TYR H H 24 8.856 8.176 0.680 1
1 208 . 8 1 1 A 24 24 TYR HA H 24 4.420 4.839 -0.419 1
1 215 . 8 1 1 A 24 24 TYR C C 24 175.484 177.453 -1.969 1
1 216 . 8 1 1 A 24 24 TYR CA C 24 61.291 62.041 -0.750 1
1 217 . 8 1 1 A 24 24 TYR CB C 24 38.629 38.524 0.105 1
1 222 . 8 1 1 A 24 24 TYR N N 24 122.534 120.836 1.698 1
1 223 . 8 1 1 A 25 25 ALA H H 25 7.616 8.340 -0.724 1
1 224 . 8 1 1 A 25 25 ALA HA H 25 4.084 4.154 -0.070 1
1 228 . 8 1 1 A 25 25 ALA C C 25 179.224 180.117 -0.893 1
1 229 . 8 1 1 A 25 25 ALA CA C 25 53.893 55.411 -1.518 1
1 230 . 8 1 1 A 25 25 ALA CB C 25 18.433 18.532 -0.099 1
1 231 . 8 1 1 A 25 25 ALA N N 25 116.147 121.811 -5.664 1
1 232 . 8 1 1 A 26 26 MET H H 26 7.379 8.134 -0.755 1
1 233 . 8 1 1 A 26 26 MET HA H 26 4.353 4.374 -0.021 1
1 241 . 8 1 1 A 26 26 MET C C 26 176.529 176.434 0.095 1
1 242 . 8 1 1 A 26 26 MET CA C 26 56.724 58.428 -1.704 1
1 243 . 8 1 1 A 26 26 MET CB C 26 33.645 33.522 0.123 1
1 246 . 8 1 1 A 26 26 MET N N 26 114.990 116.975 -1.985 1
1 247 . 8 1 1 A 27 27 ASN H H 27 7.865 8.364 -0.499 1
1 248 . 8 1 1 A 27 27 ASN HA H 27 4.562 4.921 -0.359 1
1 253 . 8 1 1 A 27 27 ASN C C 27 173.323 175.414 -2.091 1
1 254 . 8 1 1 A 27 27 ASN CA C 27 53.143 51.819 1.324 1
1 255 . 8 1 1 A 27 27 ASN CB C 27 38.096 38.948 -0.852 1
1 256 . 8 1 1 A 27 27 ASN N N 27 117.385 116.884 0.501 1
1 258 . 8 1 1 A 28 28 MET H H 28 8.400 8.649 -0.249 1
1 259 . 8 1 1 A 28 28 MET HA H 28 4.064 3.628 0.436 1
1 267 . 8 1 1 A 28 28 MET C C 28 175.557 176.454 -0.897 1
1 268 . 8 1 1 A 28 28 MET CA C 28 57.419 58.278 -0.859 1
1 269 . 8 1 1 A 28 28 MET CB C 28 33.795 32.740 1.055 1
1 272 . 8 1 1 A 28 28 MET N N 28 121.660 124.588 -2.928 1
1 273 . 8 1 1 A 29 29 GLU H H 29 7.821 8.154 -0.333 1
1 274 . 8 1 1 A 29 29 GLU HA H 29 4.757 4.624 0.133 1
1 279 . 8 1 1 A 29 29 GLU C C 29 172.328 173.415 -1.087 1
1 280 . 8 1 1 A 29 29 GLU CA C 29 53.293 53.120 0.173 1
1 281 . 8 1 1 A 29 29 GLU CB C 29 30.761 30.264 0.497 1
1 283 . 8 1 1 A 29 29 GLU N N 29 116.541 118.773 -2.232 1
1 284 . 8 1 1 A 30 30 PRO HA H 30 4.475 4.453 0.022 1
1 291 . 8 1 1 A 30 30 PRO C C 30 177.014 176.768 0.246 1
1 292 . 8 1 1 A 30 30 PRO CA C 30 62.603 62.627 -0.024 1
1 293 . 8 1 1 A 30 30 PRO CB C 30 31.915 31.775 0.140 1
1 296 . 8 1 1 A 31 31 ASN H H 31 8.909 8.280 0.629 1
1 297 . 8 1 1 A 31 31 ASN HA H 31 4.673 4.845 -0.172 1
1 302 . 8 1 1 A 31 31 ASN C C 31 175.460 176.396 -0.936 1
1 303 . 8 1 1 A 31 31 ASN CA C 31 51.303 52.094 -0.791 1
1 304 . 8 1 1 A 31 31 ASN CB C 31 38.261 39.504 -1.243 1
1 305 . 8 1 1 A 31 31 ASN N N 31 120.499 119.293 1.206 1
1 307 . 8 1 1 A 32 32 SER H H 32 8.486 8.971 -0.485 1
1 308 . 8 1 1 A 32 32 SER HA H 32 4.024 4.062 -0.038 1
1 311 . 8 1 1 A 32 32 SER C C 32 176.650 176.143 0.507 1
1 312 . 8 1 1 A 32 32 SER CA C 32 62.621 62.152 0.469 1
1 313 . 8 1 1 A 32 32 SER CB C 32 62.675 62.775 -0.100 1
1 314 . 8 1 1 A 32 32 SER N N 32 112.460 115.691 -3.231 1
1 315 . 8 1 1 A 33 33 ASP H H 33 7.935 8.189 -0.254 1
1 316 . 8 1 1 A 33 33 ASP HA H 33 4.441 4.238 0.203 1
1 319 . 8 1 1 A 33 33 ASP C C 33 178.811 179.136 -0.325 1
1 320 . 8 1 1 A 33 33 ASP CA C 33 57.456 57.622 -0.166 1
1 321 . 8 1 1 A 33 33 ASP CB C 33 40.870 40.321 0.549 1
1 322 . 8 1 1 A 33 33 ASP N N 33 122.575 122.013 0.562 1
1 323 . 8 1 1 A 34 34 GLU H H 34 8.442 8.071 0.371 1
1 324 . 8 1 1 A 34 34 GLU HA H 34 3.898 3.926 -0.028 1
1 329 . 8 1 1 A 34 34 GLU C C 34 179.127 178.952 0.175 1
1 330 . 8 1 1 A 34 34 GLU CA C 34 59.041 59.187 -0.146 1
1 331 . 8 1 1 A 34 34 GLU CB C 34 29.854 29.460 0.394 1
1 333 . 8 1 1 A 34 34 GLU N N 34 121.743 119.738 2.005 1
1 334 . 8 1 1 A 35 35 LEU H H 35 8.723 8.109 0.614 1
1 335 . 8 1 1 A 35 35 LEU HA H 35 3.735 3.659 0.076 1
1 345 . 8 1 1 A 35 35 LEU C C 35 179.321 178.547 0.774 1
1 346 . 8 1 1 A 35 35 LEU CA C 35 58.118 57.855 0.263 1
1 347 . 8 1 1 A 35 35 LEU CB C 35 42.428 41.549 0.879 1
1 351 . 8 1 1 A 35 35 LEU N N 35 119.674 120.672 -0.998 1
1 352 . 8 1 1 A 36 36 LEU H H 36 7.651 7.927 -0.276 1
1 353 . 8 1 1 A 36 36 LEU HA H 36 4.039 3.929 0.110 1
1 363 . 8 1 1 A 36 36 LEU C C 36 178.908 178.460 0.448 1
1 364 . 8 1 1 A 36 36 LEU CA C 36 58.414 58.746 -0.332 1
1 365 . 8 1 1 A 36 36 LEU CB C 36 41.040 41.893 -0.853 1
1 369 . 8 1 1 A 36 36 LEU N N 36 121.058 119.830 1.228 1
1 370 . 8 1 1 A 37 37 LYS H H 37 7.704 7.706 -0.002 1
1 371 . 8 1 1 A 37 37 LYS HA H 37 3.874 3.963 -0.089 1
1 379 . 8 1 1 A 37 37 LYS C C 37 180.025 179.077 0.948 1
1 380 . 8 1 1 A 37 37 LYS CA C 37 60.345 59.393 0.952 1
1 381 . 8 1 1 A 37 37 LYS CB C 37 32.327 32.559 -0.232 1
1 385 . 8 1 1 A 37 37 LYS N N 37 119.032 117.739 1.293 1
1 386 . 8 1 1 A 38 38 ILE H H 38 8.413 8.337 0.076 1
1 387 . 8 1 1 A 38 38 ILE HA H 38 3.296 3.461 -0.165 1
1 397 . 8 1 1 A 38 38 ILE C C 38 177.063 177.846 -0.783 1
1 398 . 8 1 1 A 38 38 ILE CA C 38 65.479 65.394 0.085 1
1 399 . 8 1 1 A 38 38 ILE CB C 38 38.384 37.652 0.732 1
1 403 . 8 1 1 A 38 38 ILE N N 38 120.466 121.132 -0.666 1
1 404 . 8 1 1 A 39 39 SER H H 39 8.183 8.089 0.094 1
1 405 . 8 1 1 A 39 39 SER HA H 39 4.047 4.329 -0.282 1
1 408 . 8 1 1 A 39 39 SER C C 39 176.359 177.451 -1.092 1
1 409 . 8 1 1 A 39 39 SER CA C 39 62.620 60.889 1.731 1
1 410 . 8 1 1 A 39 39 SER CB C 39 62.548 62.855 -0.307 1
1 411 . 8 1 1 A 39 39 SER N N 39 115.371 113.765 1.606 1
1 412 . 8 1 1 A 40 40 ILE H H 40 7.983 7.633 0.350 1
1 413 . 8 1 1 A 40 40 ILE HA H 40 3.785 3.730 0.055 1
1 423 . 8 1 1 A 40 40 ILE C C 40 178.714 177.799 0.915 1
1 424 . 8 1 1 A 40 40 ILE CA C 40 64.307 65.163 -0.856 1
1 425 . 8 1 1 A 40 40 ILE CB C 40 38.440 37.797 0.643 1
1 429 . 8 1 1 A 40 40 ILE N N 40 121.913 123.380 -1.467 1
1 430 . 8 1 1 A 41 41 ALA H H 41 7.886 8.822 -0.936 1
1 431 . 8 1 1 A 41 41 ALA HA H 41 4.157 3.982 0.175 1
1 435 . 8 1 1 A 41 41 ALA C C 41 180.147 179.653 0.494 1
1 436 . 8 1 1 A 41 41 ALA CA C 41 55.268 55.404 -0.136 1
1 437 . 8 1 1 A 41 41 ALA CB C 41 18.646 18.669 -0.023 1
1 438 . 8 1 1 A 41 41 ALA N N 41 122.775 122.187 0.588 1
1 439 . 8 1 1 A 42 42 VAL H H 42 8.268 7.582 0.686 1
1 440 . 8 1 1 A 42 42 VAL HA H 42 4.352 3.949 0.403 1
1 448 . 8 1 1 A 42 42 VAL C C 42 175.849 176.873 -1.024 1
1 449 . 8 1 1 A 42 42 VAL CA C 42 61.352 63.433 -2.081 1
1 450 . 8 1 1 A 42 42 VAL CB C 42 32.632 33.071 -0.439 1
1 453 . 8 1 1 A 42 42 VAL N N 42 108.944 110.469 -1.525 1
1 454 . 8 1 1 A 43 43 GLY H H 43 7.837 8.053 -0.216 1
1 455 . 8 1 1 A 43 43 GLY HA2 H 43 3.937 3.966 -0.029 1
1 456 . 8 1 1 A 43 43 GLY HA3 H 43 3.852 3.972 -0.120 1
1 457 . 8 1 1 A 43 43 GLY C C 43 174.392 174.084 0.308 1
1 458 . 8 1 1 A 43 43 GLY CA C 43 46.770 44.786 1.984 1
1 459 . 8 1 1 A 43 43 GLY N N 43 110.644 111.773 -1.129 1
1 460 . 8 1 1 A 44 44 LEU H H 44 7.483 7.592 -0.109 1
1 461 . 8 1 1 A 44 44 LEU HA H 44 4.833 4.438 0.395 1
1 471 . 8 1 1 A 44 44 LEU C C 44 173.348 174.821 -1.473 1
1 472 . 8 1 1 A 44 44 LEU CA C 44 51.178 52.886 -1.708 1
1 473 . 8 1 1 A 44 44 LEU CB C 44 45.096 41.150 3.946 1
1 477 . 8 1 1 A 44 44 LEU N N 44 118.486 122.830 -4.344 1
1 478 . 8 1 1 A 45 45 PRO HA H 45 4.447 4.708 -0.261 1
1 485 . 8 1 1 A 45 45 PRO C C 45 178.301 177.867 0.434 1
1 486 . 8 1 1 A 45 45 PRO CA C 45 62.740 63.048 -0.308 1
1 487 . 8 1 1 A 45 45 PRO CB C 45 32.626 31.738 0.888 1
1 490 . 8 1 1 A 46 46 GLN H H 46 9.200 8.993 0.207 1
1 491 . 8 1 1 A 46 46 GLN HA H 46 4.007 4.011 -0.004 1
1 498 . 8 1 1 A 46 46 GLN C C 46 177.718 177.855 -0.137 1
1 499 . 8 1 1 A 46 46 GLN CA C 46 60.099 59.208 0.891 1
1 500 . 8 1 1 A 46 46 GLN CB C 46 28.371 28.718 -0.347 1
1 502 . 8 1 1 A 46 46 GLN N N 46 125.692 124.523 1.169 1
1 504 . 8 1 1 A 47 47 GLU H H 47 9.618 8.607 1.011 1
1 505 . 8 1 1 A 47 47 GLU HA H 47 4.036 4.086 -0.050 1
1 510 . 8 1 1 A 47 47 GLU C C 47 178.860 179.023 -0.163 1
1 511 . 8 1 1 A 47 47 GLU CA C 47 60.029 59.510 0.519 1
1 512 . 8 1 1 A 47 47 GLU CB C 47 28.746 29.514 -0.768 1
1 514 . 8 1 1 A 47 47 GLU N N 47 117.907 118.740 -0.833 1
1 515 . 8 1 1 A 48 48 PHE H H 48 7.194 8.285 -1.091 1
1 516 . 8 1 1 A 48 48 PHE HA H 48 4.385 4.347 0.038 1
1 524 . 8 1 1 A 48 48 PHE C C 48 177.524 177.402 0.122 1
1 525 . 8 1 1 A 48 48 PHE CA C 48 60.699 61.376 -0.677 1
1 526 . 8 1 1 A 48 48 PHE CB C 48 39.190 39.148 0.042 1
1 532 . 8 1 1 A 48 48 PHE N N 48 119.141 121.121 -1.980 1
1 533 . 8 1 1 A 49 49 VAL H H 49 7.761 8.267 -0.506 1
1 534 . 8 1 1 A 49 49 VAL HA H 49 3.509 3.994 -0.485 1
1 542 . 8 1 1 A 49 49 VAL C C 49 177.306 178.268 -0.962 1
1 543 . 8 1 1 A 49 49 VAL CA C 49 67.242 67.118 0.124 1
1 544 . 8 1 1 A 49 49 VAL CB C 49 31.844 31.811 0.033 1
1 547 . 8 1 1 A 49 49 VAL N N 49 120.478 119.781 0.697 1
1 548 . 8 1 1 A 50 50 LYS H H 50 8.751 8.357 0.394 1
1 549 . 8 1 1 A 50 50 LYS HA H 50 4.023 3.996 0.027 1
1 557 . 8 1 1 A 50 50 LYS C C 50 178.593 179.093 -0.500 1
1 558 . 8 1 1 A 50 50 LYS CA C 50 60.274 59.937 0.337 1
1 559 . 8 1 1 A 50 50 LYS CB C 50 32.821 32.528 0.293 1
1 563 . 8 1 1 A 50 50 LYS N N 50 119.513 120.138 -0.625 1
1 564 . 8 1 1 A 51 51 GLU H H 51 7.636 8.105 -0.469 1
1 565 . 8 1 1 A 51 51 GLU HA H 51 4.110 4.070 0.040 1
1 570 . 8 1 1 A 51 51 GLU C C 51 177.791 178.883 -1.092 1
1 571 . 8 1 1 A 51 51 GLU CA C 51 59.253 59.523 -0.270 1
1 572 . 8 1 1 A 51 51 GLU CB C 51 29.442 29.447 -0.005 1
1 574 . 8 1 1 A 51 51 GLU N N 51 118.681 117.595 1.086 1
1 575 . 8 1 1 A 52 52 TRP H H 52 8.396 7.820 0.576 1
1 576 . 8 1 1 A 52 52 TRP HA H 52 3.794 4.295 -0.501 1
1 585 . 8 1 1 A 52 52 TRP C C 52 179.709 178.618 1.091 1
1 586 . 8 1 1 A 52 52 TRP CA C 52 62.688 60.675 2.013 1
1 587 . 8 1 1 A 52 52 TRP CB C 52 28.806 29.532 -0.726 1
1 593 . 8 1 1 A 52 52 TRP N N 52 121.740 122.052 -0.312 1
1 595 . 8 1 1 A 53 53 PHE H H 53 8.602 8.378 0.224 1
1 596 . 8 1 1 A 53 53 PHE HA H 53 3.899 4.287 -0.388 1
1 604 . 8 1 1 A 53 53 PHE C C 53 179.297 178.394 0.903 1
1 605 . 8 1 1 A 53 53 PHE CA C 53 63.414 61.925 1.489 1
1 606 . 8 1 1 A 53 53 PHE CB C 53 39.480 38.633 0.847 1
1 612 . 8 1 1 A 53 53 PHE N N 53 117.648 117.550 0.098 1
1 613 . 8 1 1 A 54 54 GLU H H 54 8.372 8.198 0.174 1
1 614 . 8 1 1 A 54 54 GLU HA H 54 4.070 3.960 0.110 1
1 619 . 8 1 1 A 54 54 GLU C C 54 179.540 179.291 0.249 1
1 620 . 8 1 1 A 54 54 GLU CA C 54 59.676 59.957 -0.281 1
1 621 . 8 1 1 A 54 54 GLU CB C 54 29.448 29.333 0.115 1
1 623 . 8 1 1 A 54 54 GLU N N 54 120.198 119.027 1.171 1
1 624 . 8 1 1 A 55 55 GLN H H 55 8.275 8.649 -0.374 1
1 625 . 8 1 1 A 55 55 GLN HA H 55 3.975 3.872 0.103 1
1 632 . 8 1 1 A 55 55 GLN C C 55 177.913 178.545 -0.632 1
1 633 . 8 1 1 A 55 55 GLN CA C 55 57.773 59.431 -1.658 1
1 634 . 8 1 1 A 55 55 GLN CB C 55 28.075 28.197 -0.122 1
1 636 . 8 1 1 A 55 55 GLN N N 55 117.674 118.968 -1.294 1
1 638 . 8 1 1 A 56 56 ARG H H 56 7.413 7.318 0.095 1
1 639 . 8 1 1 A 56 56 ARG HA H 56 3.727 3.980 -0.253 1
1 646 . 8 1 1 A 56 56 ARG C C 56 177.670 178.767 -1.097 1
1 647 . 8 1 1 A 56 56 ARG CA C 56 57.278 58.917 -1.639 1
1 648 . 8 1 1 A 56 56 ARG CB C 56 29.564 29.616 -0.052 1
1 651 . 8 1 1 A 56 56 ARG N N 56 119.111 121.043 -1.932 1
1 652 . 8 1 1 A 57 57 LYS H H 57 7.468 8.013 -0.545 1
1 653 . 8 1 1 A 57 57 LYS HA H 57 4.215 4.226 -0.011 1
1 662 . 8 1 1 A 57 57 LYS C C 57 177.937 179.110 -1.173 1
1 663 . 8 1 1 A 57 57 LYS CA C 57 58.454 59.379 -0.925 1
1 664 . 8 1 1 A 57 57 LYS CB C 57 32.656 32.709 -0.053 1
1 668 . 8 1 1 A 57 57 LYS N N 57 118.984 119.022 -0.038 1
1 669 . 8 1 1 A 58 58 VAL H H 58 7.564 8.157 -0.593 1
1 670 . 8 1 1 A 58 58 VAL HA H 58 3.866 3.680 0.186 1
1 678 . 8 1 1 A 58 58 VAL C C 58 177.306 177.100 0.206 1
1 679 . 8 1 1 A 58 58 VAL CA C 58 64.013 65.744 -1.731 1
1 680 . 8 1 1 A 58 58 VAL CB C 58 32.128 31.347 0.781 1
1 683 . 8 1 1 A 58 58 VAL N N 58 118.037 119.844 -1.807 1
1 684 . 8 1 1 A 59 59 TYR H H 59 7.871 7.003 0.868 1
1 685 . 8 1 1 A 59 59 TYR HA H 59 4.381 4.494 -0.113 1
1 692 . 8 1 1 A 59 59 TYR C C 59 176.577 178.810 -2.233 1
1 693 . 8 1 1 A 59 59 TYR CA C 59 59.112 60.618 -1.506 1
1 694 . 8 1 1 A 59 59 TYR CB C 59 38.382 39.151 -0.769 1
1 699 . 8 1 1 A 59 59 TYR N N 59 121.466 118.236 3.230 1
1 700 . 8 1 1 A 60 60 GLN H H 60 8.074 8.269 -0.195 1
1 701 . 8 1 1 A 60 60 GLN HA H 60 4.103 4.113 -0.010 1
1 708 . 8 1 1 A 60 60 GLN C C 60 176.334 177.240 -0.906 1
1 709 . 8 1 1 A 60 60 GLN CA C 60 56.820 58.281 -1.461 1
1 710 . 8 1 1 A 60 60 GLN CB C 60 29.003 28.289 0.714 1
1 712 . 8 1 1 A 60 60 GLN N N 60 120.517 117.699 2.818 1
1 714 . 8 1 1 A 61 61 TYR H H 61 8.001 7.832 0.169 1
1 715 . 8 1 1 A 61 61 TYR HA H 61 4.544 4.412 0.132 1
1 722 . 8 1 1 A 61 61 TYR C C 61 176.456 175.881 0.575 1
1 723 . 8 1 1 A 61 61 TYR CA C 61 58.442 59.753 -1.311 1
1 724 . 8 1 1 A 61 61 TYR CB C 61 38.408 39.518 -1.110 1
1 729 . 8 1 1 A 61 61 TYR N N 61 119.641 118.680 0.961 1
1 730 . 8 1 1 A 62 62 SER H H 62 8.071 7.855 0.216 1
1 731 . 8 1 1 A 62 62 SER HA H 62 4.371 4.496 -0.125 1
1 734 . 8 1 1 A 62 62 SER C C 62 174.440 174.668 -0.228 1
1 735 . 8 1 1 A 62 62 SER CA C 62 58.830 57.544 1.286 1
1 736 . 8 1 1 A 62 62 SER CB C 62 63.806 64.785 -0.979 1
1 737 . 8 1 1 A 62 62 SER N N 62 116.272 113.560 2.712 1
1 738 . 8 1 1 A 63 63 ASN HA H 63 4.737 4.491 0.246 1
1 743 . 8 1 1 A 63 63 ASN CA C 63 50.823 56.676 -5.853 1
1 744 . 8 1 1 A 63 63 ASN CB C 63 38.920 38.984 -0.064 1
1 746 . 8 1 1 A 64 64 SER HA H 64 4.407 4.331 0.076 1
1 749 . 8 1 1 A 64 64 SER C C 64 174.610 173.948 0.662 1
1 750 . 8 1 1 A 64 64 SER CA C 64 58.794 58.732 0.062 1
1 751 . 8 1 1 A 64 64 SER CB C 64 63.727 63.521 0.206 1
1 752 . 8 1 1 A 65 65 ARG H H 65 8.263 8.749 -0.486 1
1 753 . 8 1 1 A 65 65 ARG HA H 65 4.405 5.117 -0.712 1
1 760 . 8 1 1 A 65 65 ARG C C 65 176.310 174.190 2.120 1
1 761 . 8 1 1 A 65 65 ARG CA C 65 56.185 54.389 1.796 1
1 762 . 8 1 1 A 65 65 ARG CB C 65 30.643 33.657 -3.014 1
1 765 . 8 1 1 A 65 65 ARG N N 65 122.520 124.255 -1.735 1
1 766 . 8 1 1 A 66 66 SER H H 66 8.253 8.654 -0.401 1
1 767 . 8 1 1 A 66 66 SER HA H 66 4.507 4.567 -0.060 1
1 770 . 8 1 1 A 66 66 SER C C 66 174.489 174.529 -0.040 1
1 771 . 8 1 1 A 66 66 SER CA C 66 58.320 58.676 -0.356 1
1 772 . 8 1 1 A 66 66 SER CB C 66 63.974 63.910 0.064 1
1 773 . 8 1 1 A 66 66 SER N N 66 116.498 117.414 -0.916 1
1 774 . 8 1 1 A 67 67 GLY H H 67 8.201 8.407 -0.206 1
1 775 . 8 1 1 A 67 67 GLY HA2 H 67 4.113 4.317 -0.204 1
1 776 . 8 1 1 A 67 67 GLY C C 67 171.769 171.526 0.243 1
1 777 . 8 1 1 A 67 67 GLY CA C 67 44.689 44.691 -0.002 1
1 778 . 8 1 1 A 67 67 GLY N N 67 110.648 111.952 -1.304 1
1 781 . 8 1 1 A 69 69 SER HA H 69 4.481 4.221 0.260 1
1 784 . 8 1 1 A 69 69 SER C C 69 174.659 174.042 0.617 1
1 785 . 8 1 1 A 69 69 SER CA C 69 58.371 61.228 -2.857 1
1 786 . 8 1 1 A 69 69 SER CB C 69 63.645 63.177 0.468 1
1 787 . 8 1 1 A 70 70 SER H H 70 8.303 7.961 0.342 1
1 788 . 8 1 1 A 70 70 SER HA H 70 4.473 4.824 -0.351 1
1 791 . 8 1 1 A 70 70 SER C C 70 173.930 174.853 -0.923 1
1 792 . 8 1 1 A 70 70 SER CA C 70 58.406 56.307 2.099 1
1 793 . 8 1 1 A 70 70 SER CB C 70 64.057 65.455 -1.398 1
1 794 . 8 1 1 A 70 70 SER N N 70 117.757 111.205 6.552 1
1 1 . 9 1 1 A 7 7 GLY HA2 H 7 3.980 4.196 -0.216 1
1 2 . 9 1 1 A 7 7 GLY HA3 H 7 3.980 4.196 -0.216 1
1 3 . 9 1 1 A 7 7 GLY C C 7 173.809 173.335 0.474 1
1 4 . 9 1 1 A 7 7 GLY CA C 7 45.148 44.696 0.452 1
1 5 . 9 1 1 A 8 8 SER H H 8 8.167 8.670 -0.503 1
1 6 . 9 1 1 A 8 8 SER C C 8 172.741 172.614 0.127 1
1 7 . 9 1 1 A 8 8 SER CA C 8 56.432 57.125 -0.693 1
1 8 . 9 1 1 A 8 8 SER CB C 8 63.397 62.443 0.954 1
1 9 . 9 1 1 A 8 8 SER N N 8 116.986 119.061 -2.075 1
1 10 . 9 1 1 A 9 9 PRO HA H 9 4.471 4.702 -0.231 1
1 17 . 9 1 1 A 9 9 PRO C C 9 176.771 176.950 -0.179 1
1 18 . 9 1 1 A 9 9 PRO CA C 9 63.244 62.728 0.516 1
1 19 . 9 1 1 A 9 9 PRO CB C 9 32.121 31.648 0.473 1
1 22 . 9 1 1 A 10 10 ILE H H 10 8.173 8.194 -0.021 1
1 23 . 9 1 1 A 10 10 ILE HA H 10 4.084 4.151 -0.067 1
1 33 . 9 1 1 A 10 10 ILE C C 10 175.703 175.560 0.143 1
1 34 . 9 1 1 A 10 10 ILE CA C 10 61.051 61.086 -0.035 1
1 35 . 9 1 1 A 10 10 ILE CB C 10 38.806 38.248 0.558 1
1 39 . 9 1 1 A 10 10 ILE N N 10 120.782 123.779 -2.997 1
1 40 . 9 1 1 A 11 11 ASN H H 11 8.538 8.185 0.353 1
1 41 . 9 1 1 A 11 11 ASN HA H 11 4.992 5.346 -0.354 1
1 46 . 9 1 1 A 11 11 ASN C C 11 173.785 174.736 -0.951 1
1 47 . 9 1 1 A 11 11 ASN CA C 11 50.794 50.441 0.353 1
1 48 . 9 1 1 A 11 11 ASN CB C 11 39.063 39.633 -0.570 1
1 49 . 9 1 1 A 11 11 ASN N N 11 123.456 123.718 -0.262 1
1 51 . 9 1 1 A 12 12 PRO HA H 12 4.328 4.352 -0.024 1
1 58 . 9 1 1 A 12 12 PRO C C 12 176.674 177.162 -0.488 1
1 59 . 9 1 1 A 12 12 PRO CA C 12 63.616 64.795 -1.179 1
1 60 . 9 1 1 A 12 12 PRO CB C 12 31.997 31.848 0.149 1
1 63 . 9 1 1 A 13 13 TYR H H 13 7.994 7.737 0.257 1
1 64 . 9 1 1 A 13 13 TYR HA H 13 4.574 4.774 -0.200 1
1 71 . 9 1 1 A 13 13 TYR C C 13 176.237 177.197 -0.960 1
1 72 . 9 1 1 A 13 13 TYR CA C 13 57.866 57.996 -0.130 1
1 73 . 9 1 1 A 13 13 TYR CB C 13 38.013 39.899 -1.886 1
1 78 . 9 1 1 A 13 13 TYR N N 13 118.352 115.892 2.460 1
1 79 . 9 1 1 A 14 14 LYS H H 14 7.727 7.652 0.075 1
1 80 . 9 1 1 A 14 14 LYS HA H 14 4.131 4.226 -0.095 1
1 88 . 9 1 1 A 14 14 LYS C C 14 176.626 178.125 -1.499 1
1 89 . 9 1 1 A 14 14 LYS CA C 14 57.704 57.659 0.045 1
1 90 . 9 1 1 A 14 14 LYS CB C 14 33.154 31.970 1.184 1
1 94 . 9 1 1 A 14 14 LYS N N 14 121.585 122.170 -0.585 1
1 95 . 9 1 1 A 15 15 ASP H H 15 8.374 8.096 0.278 1
1 96 . 9 1 1 A 15 15 ASP HA H 15 4.620 4.445 0.175 1
1 99 . 9 1 1 A 15 15 ASP C C 15 174.125 178.264 -4.139 1
1 100 . 9 1 1 A 15 15 ASP CA C 15 54.763 57.408 -2.645 1
1 101 . 9 1 1 A 15 15 ASP CB C 15 40.533 40.850 -0.317 1
1 102 . 9 1 1 A 15 15 ASP N N 15 119.870 120.046 -0.176 1
1 103 . 9 1 1 A 16 16 HIS H H 16 8.034 8.532 -0.498 1
1 104 . 9 1 1 A 16 16 HIS HA H 16 4.419 4.344 0.075 1
1 109 . 9 1 1 A 16 16 HIS CA C 16 58.742 58.958 -0.216 1
1 110 . 9 1 1 A 16 16 HIS CB C 16 30.675 28.717 1.958 1
1 113 . 9 1 1 A 16 16 HIS N N 16 124.264 116.472 7.792 1
1 114 . 9 1 1 A 17 17 MET H H 17 8.049 7.546 0.503 1
1 115 . 9 1 1 A 17 17 MET HA H 17 4.160 3.843 0.317 1
1 123 . 9 1 1 A 17 17 MET CA C 17 57.275 57.815 -0.540 1
1 124 . 9 1 1 A 17 17 MET CB C 17 31.055 32.955 -1.900 1
1 127 . 9 1 1 A 17 17 MET N N 17 117.829 119.559 -1.730 1
1 128 . 9 1 1 A 18 18 SER HA H 18 4.134 4.103 0.031 1
1 131 . 9 1 1 A 18 18 SER C C 18 176.941 176.178 0.763 1
1 132 . 9 1 1 A 18 18 SER CA C 18 61.889 62.240 -0.351 1
1 133 . 9 1 1 A 18 18 SER CB C 18 62.424 62.756 -0.332 1
1 134 . 9 1 1 A 19 19 VAL H H 19 7.568 8.105 -0.537 1
1 135 . 9 1 1 A 19 19 VAL HA H 19 3.809 3.515 0.294 1
1 143 . 9 1 1 A 19 19 VAL C C 19 177.913 177.664 0.249 1
1 144 . 9 1 1 A 19 19 VAL CA C 19 65.637 65.389 0.248 1
1 145 . 9 1 1 A 19 19 VAL CB C 19 31.737 31.311 0.426 1
1 148 . 9 1 1 A 19 19 VAL N N 19 122.341 119.919 2.422 1
1 149 . 9 1 1 A 20 20 LEU H H 20 7.788 8.015 -0.227 1
1 150 . 9 1 1 A 20 20 LEU HA H 20 3.940 4.241 -0.301 1
1 160 . 9 1 1 A 20 20 LEU C C 20 178.520 179.181 -0.661 1
1 161 . 9 1 1 A 20 20 LEU CA C 20 58.336 57.978 0.358 1
1 162 . 9 1 1 A 20 20 LEU CB C 20 39.138 41.074 -1.936 1
1 166 . 9 1 1 A 20 20 LEU N N 20 120.156 121.297 -1.141 1
1 167 . 9 1 1 A 21 21 LYS H H 21 8.067 7.892 0.175 1
1 168 . 9 1 1 A 21 21 LYS HA H 21 4.047 4.423 -0.376 1
1 175 . 9 1 1 A 21 21 LYS C C 21 179.102 178.968 0.134 1
1 176 . 9 1 1 A 21 21 LYS CA C 21 60.667 58.924 1.743 1
1 177 . 9 1 1 A 21 21 LYS CB C 21 32.519 32.156 0.363 1
1 181 . 9 1 1 A 21 21 LYS N N 21 117.374 117.436 -0.062 1
1 182 . 9 1 1 A 22 22 ALA H H 22 7.718 8.054 -0.336 1
1 183 . 9 1 1 A 22 22 ALA HA H 22 4.217 4.145 0.072 1
1 187 . 9 1 1 A 22 22 ALA C C 22 180.486 179.387 1.099 1
1 188 . 9 1 1 A 22 22 ALA CA C 22 54.954 54.864 0.090 1
1 189 . 9 1 1 A 22 22 ALA CB C 22 17.934 18.175 -0.241 1
1 190 . 9 1 1 A 22 22 ALA N N 22 122.528 122.297 0.231 1
1 191 . 9 1 1 A 23 23 TYR H H 23 8.036 7.431 0.605 1
1 192 . 9 1 1 A 23 23 TYR HA H 23 4.291 4.324 -0.033 1
1 199 . 9 1 1 A 23 23 TYR C C 23 178.860 178.427 0.433 1
1 200 . 9 1 1 A 23 23 TYR CA C 23 62.616 61.496 1.120 1
1 201 . 9 1 1 A 23 23 TYR CB C 23 38.455 38.382 0.073 1
1 206 . 9 1 1 A 23 23 TYR N N 23 117.835 116.710 1.125 1
1 207 . 9 1 1 A 24 24 TYR H H 24 8.856 8.249 0.607 1
1 208 . 9 1 1 A 24 24 TYR HA H 24 4.420 4.868 -0.448 1
1 215 . 9 1 1 A 24 24 TYR C C 24 175.484 177.097 -1.613 1
1 216 . 9 1 1 A 24 24 TYR CA C 24 61.291 62.136 -0.845 1
1 217 . 9 1 1 A 24 24 TYR CB C 24 38.629 38.858 -0.229 1
1 222 . 9 1 1 A 24 24 TYR N N 24 122.534 120.642 1.892 1
1 223 . 9 1 1 A 25 25 ALA H H 25 7.616 8.264 -0.648 1
1 224 . 9 1 1 A 25 25 ALA HA H 25 4.084 4.232 -0.148 1
1 228 . 9 1 1 A 25 25 ALA C C 25 179.224 179.931 -0.707 1
1 229 . 9 1 1 A 25 25 ALA CA C 25 53.893 55.416 -1.523 1
1 230 . 9 1 1 A 25 25 ALA CB C 25 18.433 18.492 -0.059 1
1 231 . 9 1 1 A 25 25 ALA N N 25 116.147 121.662 -5.515 1
1 232 . 9 1 1 A 26 26 MET H H 26 7.379 8.057 -0.678 1
1 233 . 9 1 1 A 26 26 MET HA H 26 4.353 4.584 -0.231 1
1 241 . 9 1 1 A 26 26 MET C C 26 176.529 176.754 -0.225 1
1 242 . 9 1 1 A 26 26 MET CA C 26 56.724 56.932 -0.208 1
1 243 . 9 1 1 A 26 26 MET CB C 26 33.645 33.680 -0.035 1
1 246 . 9 1 1 A 26 26 MET N N 26 114.990 115.029 -0.039 1
1 247 . 9 1 1 A 27 27 ASN H H 27 7.865 8.202 -0.337 1
1 248 . 9 1 1 A 27 27 ASN HA H 27 4.562 4.971 -0.409 1
1 253 . 9 1 1 A 27 27 ASN C C 27 173.323 175.357 -2.034 1
1 254 . 9 1 1 A 27 27 ASN CA C 27 53.143 52.334 0.809 1
1 255 . 9 1 1 A 27 27 ASN CB C 27 38.096 40.093 -1.997 1
1 256 . 9 1 1 A 27 27 ASN N N 27 117.385 116.670 0.715 1
1 258 . 9 1 1 A 28 28 MET H H 28 8.400 8.524 -0.124 1
1 259 . 9 1 1 A 28 28 MET HA H 28 4.064 3.109 0.955 1
1 267 . 9 1 1 A 28 28 MET C C 28 175.557 176.229 -0.672 1
1 268 . 9 1 1 A 28 28 MET CA C 28 57.419 58.082 -0.663 1
1 269 . 9 1 1 A 28 28 MET CB C 28 33.795 32.223 1.572 1
1 272 . 9 1 1 A 28 28 MET N N 28 121.660 123.843 -2.183 1
1 273 . 9 1 1 A 29 29 GLU H H 29 7.821 8.131 -0.310 1
1 274 . 9 1 1 A 29 29 GLU HA H 29 4.757 4.529 0.228 1
1 279 . 9 1 1 A 29 29 GLU C C 29 172.328 173.447 -1.119 1
1 280 . 9 1 1 A 29 29 GLU CA C 29 53.293 53.059 0.234 1
1 281 . 9 1 1 A 29 29 GLU CB C 29 30.761 30.277 0.484 1
1 283 . 9 1 1 A 29 29 GLU N N 29 116.541 119.028 -2.487 1
1 284 . 9 1 1 A 30 30 PRO HA H 30 4.475 4.449 0.026 1
1 291 . 9 1 1 A 30 30 PRO C C 30 177.014 175.936 1.078 1
1 292 . 9 1 1 A 30 30 PRO CA C 30 62.603 62.231 0.372 1
1 293 . 9 1 1 A 30 30 PRO CB C 30 31.915 32.395 -0.480 1
1 296 . 9 1 1 A 31 31 ASN H H 31 8.909 8.505 0.404 1
1 297 . 9 1 1 A 31 31 ASN HA H 31 4.673 5.038 -0.365 1
1 302 . 9 1 1 A 31 31 ASN C C 31 175.460 176.639 -1.179 1
1 303 . 9 1 1 A 31 31 ASN CA C 31 51.303 51.541 -0.238 1
1 304 . 9 1 1 A 31 31 ASN CB C 31 38.261 40.051 -1.790 1
1 305 . 9 1 1 A 31 31 ASN N N 31 120.499 119.343 1.156 1
1 307 . 9 1 1 A 32 32 SER H H 32 8.486 8.804 -0.318 1
1 308 . 9 1 1 A 32 32 SER HA H 32 4.024 4.117 -0.093 1
1 311 . 9 1 1 A 32 32 SER C C 32 176.650 176.111 0.539 1
1 312 . 9 1 1 A 32 32 SER CA C 32 62.621 61.524 1.097 1
1 313 . 9 1 1 A 32 32 SER CB C 32 62.675 62.672 0.003 1
1 314 . 9 1 1 A 32 32 SER N N 32 112.460 116.780 -4.320 1
1 315 . 9 1 1 A 33 33 ASP H H 33 7.935 7.835 0.100 1
1 316 . 9 1 1 A 33 33 ASP HA H 33 4.441 4.436 0.005 1
1 319 . 9 1 1 A 33 33 ASP C C 33 178.811 178.410 0.401 1
1 320 . 9 1 1 A 33 33 ASP CA C 33 57.456 56.283 1.173 1
1 321 . 9 1 1 A 33 33 ASP CB C 33 40.870 40.902 -0.032 1
1 322 . 9 1 1 A 33 33 ASP N N 33 122.575 122.633 -0.058 1
1 323 . 9 1 1 A 34 34 GLU H H 34 8.442 8.049 0.393 1
1 324 . 9 1 1 A 34 34 GLU HA H 34 3.898 3.922 -0.024 1
1 329 . 9 1 1 A 34 34 GLU C C 34 179.127 178.902 0.225 1
1 330 . 9 1 1 A 34 34 GLU CA C 34 59.041 59.135 -0.094 1
1 331 . 9 1 1 A 34 34 GLU CB C 34 29.854 29.368 0.486 1
1 333 . 9 1 1 A 34 34 GLU N N 34 121.743 120.179 1.564 1
1 334 . 9 1 1 A 35 35 LEU H H 35 8.723 8.168 0.555 1
1 335 . 9 1 1 A 35 35 LEU HA H 35 3.735 3.724 0.011 1
1 345 . 9 1 1 A 35 35 LEU C C 35 179.321 178.739 0.582 1
1 346 . 9 1 1 A 35 35 LEU CA C 35 58.118 57.895 0.223 1
1 347 . 9 1 1 A 35 35 LEU CB C 35 42.428 41.580 0.848 1
1 351 . 9 1 1 A 35 35 LEU N N 35 119.674 120.834 -1.160 1
1 352 . 9 1 1 A 36 36 LEU H H 36 7.651 8.243 -0.592 1
1 353 . 9 1 1 A 36 36 LEU HA H 36 4.039 3.910 0.129 1
1 363 . 9 1 1 A 36 36 LEU C C 36 178.908 178.408 0.500 1
1 364 . 9 1 1 A 36 36 LEU CA C 36 58.414 58.785 -0.371 1
1 365 . 9 1 1 A 36 36 LEU CB C 36 41.040 41.956 -0.916 1
1 369 . 9 1 1 A 36 36 LEU N N 36 121.058 119.966 1.092 1
1 370 . 9 1 1 A 37 37 LYS H H 37 7.704 7.643 0.061 1
1 371 . 9 1 1 A 37 37 LYS HA H 37 3.874 3.973 -0.099 1
1 379 . 9 1 1 A 37 37 LYS C C 37 180.025 179.136 0.889 1
1 380 . 9 1 1 A 37 37 LYS CA C 37 60.345 59.364 0.981 1
1 381 . 9 1 1 A 37 37 LYS CB C 37 32.327 32.545 -0.218 1
1 385 . 9 1 1 A 37 37 LYS N N 37 119.032 117.713 1.319 1
1 386 . 9 1 1 A 38 38 ILE H H 38 8.413 8.316 0.097 1
1 387 . 9 1 1 A 38 38 ILE HA H 38 3.296 3.395 -0.099 1
1 397 . 9 1 1 A 38 38 ILE C C 38 177.063 178.054 -0.991 1
1 398 . 9 1 1 A 38 38 ILE CA C 38 65.479 65.264 0.215 1
1 399 . 9 1 1 A 38 38 ILE CB C 38 38.384 37.527 0.857 1
1 403 . 9 1 1 A 38 38 ILE N N 38 120.466 121.167 -0.701 1
1 404 . 9 1 1 A 39 39 SER H H 39 8.183 8.094 0.089 1
1 405 . 9 1 1 A 39 39 SER HA H 39 4.047 4.354 -0.307 1
1 408 . 9 1 1 A 39 39 SER C C 39 176.359 177.633 -1.274 1
1 409 . 9 1 1 A 39 39 SER CA C 39 62.620 60.940 1.680 1
1 410 . 9 1 1 A 39 39 SER CB C 39 62.548 62.848 -0.300 1
1 411 . 9 1 1 A 39 39 SER N N 39 115.371 114.059 1.312 1
1 412 . 9 1 1 A 40 40 ILE H H 40 7.983 7.760 0.223 1
1 413 . 9 1 1 A 40 40 ILE HA H 40 3.785 3.732 0.053 1
1 423 . 9 1 1 A 40 40 ILE C C 40 178.714 177.830 0.884 1
1 424 . 9 1 1 A 40 40 ILE CA C 40 64.307 65.369 -1.062 1
1 425 . 9 1 1 A 40 40 ILE CB C 40 38.440 37.846 0.594 1
1 429 . 9 1 1 A 40 40 ILE N N 40 121.913 122.464 -0.551 1
1 430 . 9 1 1 A 41 41 ALA H H 41 7.886 8.881 -0.995 1
1 431 . 9 1 1 A 41 41 ALA HA H 41 4.157 4.095 0.062 1
1 435 . 9 1 1 A 41 41 ALA C C 41 180.147 179.889 0.258 1
1 436 . 9 1 1 A 41 41 ALA CA C 41 55.268 55.596 -0.328 1
1 437 . 9 1 1 A 41 41 ALA CB C 41 18.646 18.645 0.001 1
1 438 . 9 1 1 A 41 41 ALA N N 41 122.775 122.256 0.519 1
1 439 . 9 1 1 A 42 42 VAL H H 42 8.268 7.657 0.611 1
1 440 . 9 1 1 A 42 42 VAL HA H 42 4.352 4.149 0.203 1
1 448 . 9 1 1 A 42 42 VAL C C 42 175.849 176.978 -1.129 1
1 449 . 9 1 1 A 42 42 VAL CA C 42 61.352 63.629 -2.277 1
1 450 . 9 1 1 A 42 42 VAL CB C 42 32.632 33.106 -0.474 1
1 453 . 9 1 1 A 42 42 VAL N N 42 108.944 111.222 -2.278 1
1 454 . 9 1 1 A 43 43 GLY H H 43 7.837 7.970 -0.133 1
1 455 . 9 1 1 A 43 43 GLY HA2 H 43 3.937 3.949 -0.012 1
1 456 . 9 1 1 A 43 43 GLY HA3 H 43 3.852 3.959 -0.107 1
1 457 . 9 1 1 A 43 43 GLY C C 43 174.392 174.176 0.216 1
1 458 . 9 1 1 A 43 43 GLY CA C 43 46.770 44.834 1.936 1
1 459 . 9 1 1 A 43 43 GLY N N 43 110.644 112.054 -1.410 1
1 460 . 9 1 1 A 44 44 LEU H H 44 7.483 7.597 -0.114 1
1 461 . 9 1 1 A 44 44 LEU HA H 44 4.833 4.401 0.432 1
1 471 . 9 1 1 A 44 44 LEU C C 44 173.348 174.818 -1.470 1
1 472 . 9 1 1 A 44 44 LEU CA C 44 51.178 52.847 -1.669 1
1 473 . 9 1 1 A 44 44 LEU CB C 44 45.096 41.022 4.074 1
1 477 . 9 1 1 A 44 44 LEU N N 44 118.486 122.501 -4.015 1
1 478 . 9 1 1 A 45 45 PRO HA H 45 4.447 4.706 -0.259 1
1 485 . 9 1 1 A 45 45 PRO C C 45 178.301 177.870 0.431 1
1 486 . 9 1 1 A 45 45 PRO CA C 45 62.740 63.046 -0.306 1
1 487 . 9 1 1 A 45 45 PRO CB C 45 32.626 31.732 0.894 1
1 490 . 9 1 1 A 46 46 GLN H H 46 9.200 8.998 0.202 1
1 491 . 9 1 1 A 46 46 GLN HA H 46 4.007 4.024 -0.017 1
1 498 . 9 1 1 A 46 46 GLN C C 46 177.718 177.867 -0.149 1
1 499 . 9 1 1 A 46 46 GLN CA C 46 60.099 59.212 0.887 1
1 500 . 9 1 1 A 46 46 GLN CB C 46 28.371 28.725 -0.354 1
1 502 . 9 1 1 A 46 46 GLN N N 46 125.692 124.518 1.174 1
1 504 . 9 1 1 A 47 47 GLU H H 47 9.618 8.602 1.016 1
1 505 . 9 1 1 A 47 47 GLU HA H 47 4.036 4.100 -0.064 1
1 510 . 9 1 1 A 47 47 GLU C C 47 178.860 179.031 -0.171 1
1 511 . 9 1 1 A 47 47 GLU CA C 47 60.029 59.478 0.551 1
1 512 . 9 1 1 A 47 47 GLU CB C 47 28.746 29.590 -0.844 1
1 514 . 9 1 1 A 47 47 GLU N N 47 117.907 118.926 -1.019 1
1 515 . 9 1 1 A 48 48 PHE H H 48 7.194 8.174 -0.980 1
1 516 . 9 1 1 A 48 48 PHE HA H 48 4.385 4.274 0.111 1
1 524 . 9 1 1 A 48 48 PHE C C 48 177.524 177.498 0.026 1
1 525 . 9 1 1 A 48 48 PHE CA C 48 60.699 61.304 -0.605 1
1 526 . 9 1 1 A 48 48 PHE CB C 48 39.190 39.100 0.090 1
1 532 . 9 1 1 A 48 48 PHE N N 48 119.141 121.341 -2.200 1
1 533 . 9 1 1 A 49 49 VAL H H 49 7.761 8.361 -0.600 1
1 534 . 9 1 1 A 49 49 VAL HA H 49 3.509 3.942 -0.433 1
1 542 . 9 1 1 A 49 49 VAL C C 49 177.306 178.154 -0.848 1
1 543 . 9 1 1 A 49 49 VAL CA C 49 67.242 67.000 0.242 1
1 544 . 9 1 1 A 49 49 VAL CB C 49 31.844 31.751 0.093 1
1 547 . 9 1 1 A 49 49 VAL N N 49 120.478 119.838 0.640 1
1 548 . 9 1 1 A 50 50 LYS H H 50 8.751 8.368 0.383 1
1 549 . 9 1 1 A 50 50 LYS HA H 50 4.023 4.064 -0.041 1
1 557 . 9 1 1 A 50 50 LYS C C 50 178.593 179.005 -0.412 1
1 558 . 9 1 1 A 50 50 LYS CA C 50 60.274 59.920 0.354 1
1 559 . 9 1 1 A 50 50 LYS CB C 50 32.821 32.587 0.234 1
1 563 . 9 1 1 A 50 50 LYS N N 50 119.513 120.191 -0.678 1
1 564 . 9 1 1 A 51 51 GLU H H 51 7.636 7.859 -0.223 1
1 565 . 9 1 1 A 51 51 GLU HA H 51 4.110 4.056 0.054 1
1 570 . 9 1 1 A 51 51 GLU C C 51 177.791 178.928 -1.137 1
1 571 . 9 1 1 A 51 51 GLU CA C 51 59.253 59.500 -0.247 1
1 572 . 9 1 1 A 51 51 GLU CB C 51 29.442 29.409 0.033 1
1 574 . 9 1 1 A 51 51 GLU N N 51 118.681 117.377 1.304 1
1 575 . 9 1 1 A 52 52 TRP H H 52 8.396 7.799 0.597 1
1 576 . 9 1 1 A 52 52 TRP HA H 52 3.794 4.247 -0.453 1
1 585 . 9 1 1 A 52 52 TRP C C 52 179.709 178.529 1.180 1
1 586 . 9 1 1 A 52 52 TRP CA C 52 62.688 60.726 1.962 1
1 587 . 9 1 1 A 52 52 TRP CB C 52 28.806 29.297 -0.491 1
1 593 . 9 1 1 A 52 52 TRP N N 52 121.740 122.228 -0.488 1
1 595 . 9 1 1 A 53 53 PHE H H 53 8.602 8.238 0.364 1
1 596 . 9 1 1 A 53 53 PHE HA H 53 3.899 4.216 -0.317 1
1 604 . 9 1 1 A 53 53 PHE C C 53 179.297 178.350 0.947 1
1 605 . 9 1 1 A 53 53 PHE CA C 53 63.414 61.591 1.823 1
1 606 . 9 1 1 A 53 53 PHE CB C 53 39.480 39.026 0.454 1
1 612 . 9 1 1 A 53 53 PHE N N 53 117.648 117.328 0.320 1
1 613 . 9 1 1 A 54 54 GLU H H 54 8.372 8.587 -0.215 1
1 614 . 9 1 1 A 54 54 GLU HA H 54 4.070 3.968 0.102 1
1 619 . 9 1 1 A 54 54 GLU C C 54 179.540 179.235 0.305 1
1 620 . 9 1 1 A 54 54 GLU CA C 54 59.676 59.919 -0.243 1
1 621 . 9 1 1 A 54 54 GLU CB C 54 29.448 29.166 0.282 1
1 623 . 9 1 1 A 54 54 GLU N N 54 120.198 119.240 0.958 1
1 624 . 9 1 1 A 55 55 GLN H H 55 8.275 8.573 -0.298 1
1 625 . 9 1 1 A 55 55 GLN HA H 55 3.975 3.897 0.078 1
1 632 . 9 1 1 A 55 55 GLN C C 55 177.913 178.988 -1.075 1
1 633 . 9 1 1 A 55 55 GLN CA C 55 57.773 59.394 -1.621 1
1 634 . 9 1 1 A 55 55 GLN CB C 55 28.075 28.115 -0.040 1
1 636 . 9 1 1 A 55 55 GLN N N 55 117.674 118.742 -1.068 1
1 638 . 9 1 1 A 56 56 ARG H H 56 7.413 8.159 -0.746 1
1 639 . 9 1 1 A 56 56 ARG HA H 56 3.727 4.102 -0.375 1
1 646 . 9 1 1 A 56 56 ARG C C 56 177.670 179.194 -1.524 1
1 647 . 9 1 1 A 56 56 ARG CA C 56 57.278 59.954 -2.676 1
1 648 . 9 1 1 A 56 56 ARG CB C 56 29.564 30.021 -0.457 1
1 651 . 9 1 1 A 56 56 ARG N N 56 119.111 119.827 -0.716 1
1 652 . 9 1 1 A 57 57 LYS H H 57 7.468 7.874 -0.406 1
1 653 . 9 1 1 A 57 57 LYS HA H 57 4.215 4.191 0.024 1
1 662 . 9 1 1 A 57 57 LYS C C 57 177.937 179.250 -1.313 1
1 663 . 9 1 1 A 57 57 LYS CA C 57 58.454 59.314 -0.860 1
1 664 . 9 1 1 A 57 57 LYS CB C 57 32.656 32.625 0.031 1
1 668 . 9 1 1 A 57 57 LYS N N 57 118.984 119.701 -0.717 1
1 669 . 9 1 1 A 58 58 VAL H H 58 7.564 7.646 -0.082 1
1 670 . 9 1 1 A 58 58 VAL HA H 58 3.866 3.605 0.261 1
1 678 . 9 1 1 A 58 58 VAL C C 58 177.306 177.012 0.294 1
1 679 . 9 1 1 A 58 58 VAL CA C 58 64.013 66.141 -2.128 1
1 680 . 9 1 1 A 58 58 VAL CB C 58 32.128 31.344 0.784 1
1 683 . 9 1 1 A 58 58 VAL N N 58 118.037 120.397 -2.360 1
1 684 . 9 1 1 A 59 59 TYR H H 59 7.871 7.077 0.794 1
1 685 . 9 1 1 A 59 59 TYR HA H 59 4.381 4.586 -0.205 1
1 692 . 9 1 1 A 59 59 TYR C C 59 176.577 178.682 -2.105 1
1 693 . 9 1 1 A 59 59 TYR CA C 59 59.112 61.096 -1.984 1
1 694 . 9 1 1 A 59 59 TYR CB C 59 38.382 38.359 0.023 1
1 699 . 9 1 1 A 59 59 TYR N N 59 121.466 118.259 3.207 1
1 700 . 9 1 1 A 60 60 GLN H H 60 8.074 8.485 -0.411 1
1 701 . 9 1 1 A 60 60 GLN HA H 60 4.103 4.005 0.098 1
1 708 . 9 1 1 A 60 60 GLN C C 60 176.334 177.354 -1.020 1
1 709 . 9 1 1 A 60 60 GLN CA C 60 56.820 58.787 -1.967 1
1 710 . 9 1 1 A 60 60 GLN CB C 60 29.003 28.305 0.698 1
1 712 . 9 1 1 A 60 60 GLN N N 60 120.517 118.289 2.228 1
1 714 . 9 1 1 A 61 61 TYR H H 61 8.001 8.182 -0.181 1
1 715 . 9 1 1 A 61 61 TYR HA H 61 4.544 4.525 0.019 1
1 722 . 9 1 1 A 61 61 TYR C C 61 176.456 175.826 0.630 1
1 723 . 9 1 1 A 61 61 TYR CA C 61 58.442 59.058 -0.616 1
1 724 . 9 1 1 A 61 61 TYR CB C 61 38.408 39.823 -1.415 1
1 729 . 9 1 1 A 61 61 TYR N N 61 119.641 116.220 3.421 1
1 730 . 9 1 1 A 62 62 SER H H 62 8.071 7.804 0.267 1
1 731 . 9 1 1 A 62 62 SER HA H 62 4.371 4.556 -0.185 1
1 734 . 9 1 1 A 62 62 SER C C 62 174.440 174.398 0.042 1
1 735 . 9 1 1 A 62 62 SER CA C 62 58.830 57.249 1.581 1
1 736 . 9 1 1 A 62 62 SER CB C 62 63.806 64.222 -0.416 1
1 737 . 9 1 1 A 62 62 SER N N 62 116.272 113.768 2.504 1
1 738 . 9 1 1 A 63 63 ASN HA H 63 4.737 4.562 0.175 1
1 743 . 9 1 1 A 63 63 ASN CA C 63 50.823 53.549 -2.726 1
1 744 . 9 1 1 A 63 63 ASN CB C 63 38.920 39.400 -0.480 1
1 746 . 9 1 1 A 64 64 SER HA H 64 4.407 4.081 0.326 1
1 749 . 9 1 1 A 64 64 SER C C 64 174.610 174.288 0.322 1
1 750 . 9 1 1 A 64 64 SER CA C 64 58.794 59.098 -0.304 1
1 751 . 9 1 1 A 64 64 SER CB C 64 63.727 61.768 1.959 1
1 752 . 9 1 1 A 65 65 ARG H H 65 8.263 7.749 0.514 1
1 753 . 9 1 1 A 65 65 ARG HA H 65 4.405 4.509 -0.104 1
1 760 . 9 1 1 A 65 65 ARG C C 65 176.310 176.013 0.297 1
1 761 . 9 1 1 A 65 65 ARG CA C 65 56.185 56.315 -0.130 1
1 762 . 9 1 1 A 65 65 ARG CB C 65 30.643 30.853 -0.210 1
1 765 . 9 1 1 A 65 65 ARG N N 65 122.520 122.208 0.312 1
1 766 . 9 1 1 A 66 66 SER H H 66 8.253 8.521 -0.268 1
1 767 . 9 1 1 A 66 66 SER HA H 66 4.507 4.781 -0.274 1
1 770 . 9 1 1 A 66 66 SER C C 66 174.489 174.456 0.033 1
1 771 . 9 1 1 A 66 66 SER CA C 66 58.320 58.570 -0.250 1
1 772 . 9 1 1 A 66 66 SER CB C 66 63.974 63.900 0.074 1
1 773 . 9 1 1 A 66 66 SER N N 66 116.498 123.444 -6.946 1
1 774 . 9 1 1 A 67 67 GLY H H 67 8.201 8.295 -0.094 1
1 775 . 9 1 1 A 67 67 GLY HA2 H 67 4.113 4.135 -0.022 1
1 776 . 9 1 1 A 67 67 GLY C C 67 171.769 174.024 -2.255 1
1 777 . 9 1 1 A 67 67 GLY CA C 67 44.689 45.531 -0.842 1
1 778 . 9 1 1 A 67 67 GLY N N 67 110.648 110.741 -0.093 1
1 781 . 9 1 1 A 69 69 SER HA H 69 4.481 4.103 0.378 1
1 784 . 9 1 1 A 69 69 SER C C 69 174.659 172.670 1.989 1
1 785 . 9 1 1 A 69 69 SER CA C 69 58.371 59.057 -0.686 1
1 786 . 9 1 1 A 69 69 SER CB C 69 63.645 61.273 2.372 1
1 787 . 9 1 1 A 70 70 SER H H 70 8.303 7.708 0.595 1
1 788 . 9 1 1 A 70 70 SER HA H 70 4.473 4.894 -0.421 1
1 791 . 9 1 1 A 70 70 SER C C 70 173.930 173.714 0.216 1
1 792 . 9 1 1 A 70 70 SER CA C 70 58.406 56.336 2.070 1
1 793 . 9 1 1 A 70 70 SER CB C 70 64.057 65.557 -1.500 1
1 794 . 9 1 1 A 70 70 SER N N 70 117.757 114.268 3.489 1
1 1 . 10 1 1 A 7 7 GLY HA2 H 7 3.980 4.137 -0.157 1
1 2 . 10 1 1 A 7 7 GLY HA3 H 7 3.980 4.137 -0.157 1
1 3 . 10 1 1 A 7 7 GLY C C 7 173.809 173.773 0.036 1
1 4 . 10 1 1 A 7 7 GLY CA C 7 45.148 44.550 0.598 1
1 5 . 10 1 1 A 8 8 SER H H 8 8.167 8.732 -0.565 1
1 6 . 10 1 1 A 8 8 SER C C 8 172.741 173.914 -1.173 1
1 7 . 10 1 1 A 8 8 SER CA C 8 56.432 58.940 -2.508 1
1 8 . 10 1 1 A 8 8 SER CB C 8 63.397 61.638 1.759 1
1 9 . 10 1 1 A 8 8 SER N N 8 116.986 116.599 0.387 1
1 10 . 10 1 1 A 9 9 PRO HA H 9 4.471 4.632 -0.161 1
1 17 . 10 1 1 A 9 9 PRO C C 9 176.771 176.691 0.080 1
1 18 . 10 1 1 A 9 9 PRO CA C 9 63.244 62.686 0.558 1
1 19 . 10 1 1 A 9 9 PRO CB C 9 32.121 31.797 0.324 1
1 22 . 10 1 1 A 10 10 ILE H H 10 8.173 8.478 -0.305 1
1 23 . 10 1 1 A 10 10 ILE HA H 10 4.084 4.419 -0.335 1
1 33 . 10 1 1 A 10 10 ILE C C 10 175.703 175.219 0.484 1
1 34 . 10 1 1 A 10 10 ILE CA C 10 61.051 61.235 -0.184 1
1 35 . 10 1 1 A 10 10 ILE CB C 10 38.806 38.277 0.529 1
1 39 . 10 1 1 A 10 10 ILE N N 10 120.782 123.928 -3.146 1
1 40 . 10 1 1 A 11 11 ASN H H 11 8.538 8.528 0.010 1
1 41 . 10 1 1 A 11 11 ASN HA H 11 4.992 5.285 -0.293 1
1 46 . 10 1 1 A 11 11 ASN C C 11 173.785 174.183 -0.398 1
1 47 . 10 1 1 A 11 11 ASN CA C 11 50.794 49.579 1.215 1
1 48 . 10 1 1 A 11 11 ASN CB C 11 39.063 40.360 -1.297 1
1 49 . 10 1 1 A 11 11 ASN N N 11 123.456 125.348 -1.892 1
1 51 . 10 1 1 A 12 12 PRO HA H 12 4.328 4.355 -0.027 1
1 58 . 10 1 1 A 12 12 PRO C C 12 176.674 177.317 -0.643 1
1 59 . 10 1 1 A 12 12 PRO CA C 12 63.616 65.162 -1.546 1
1 60 . 10 1 1 A 12 12 PRO CB C 12 31.997 31.845 0.152 1
1 63 . 10 1 1 A 13 13 TYR H H 13 7.994 8.048 -0.054 1
1 64 . 10 1 1 A 13 13 TYR HA H 13 4.574 4.866 -0.292 1
1 71 . 10 1 1 A 13 13 TYR C C 13 176.237 177.673 -1.436 1
1 72 . 10 1 1 A 13 13 TYR CA C 13 57.866 58.364 -0.498 1
1 73 . 10 1 1 A 13 13 TYR CB C 13 38.013 39.975 -1.962 1
1 78 . 10 1 1 A 13 13 TYR N N 13 118.352 115.940 2.412 1
1 79 . 10 1 1 A 14 14 LYS H H 14 7.727 7.442 0.285 1
1 80 . 10 1 1 A 14 14 LYS HA H 14 4.131 3.758 0.373 1
1 88 . 10 1 1 A 14 14 LYS C C 14 176.626 178.367 -1.741 1
1 89 . 10 1 1 A 14 14 LYS CA C 14 57.704 59.043 -1.339 1
1 90 . 10 1 1 A 14 14 LYS CB C 14 33.154 31.771 1.383 1
1 94 . 10 1 1 A 14 14 LYS N N 14 121.585 122.296 -0.711 1
1 95 . 10 1 1 A 15 15 ASP H H 15 8.374 7.909 0.465 1
1 96 . 10 1 1 A 15 15 ASP HA H 15 4.620 4.244 0.376 1
1 99 . 10 1 1 A 15 15 ASP C C 15 174.125 178.287 -4.162 1
1 100 . 10 1 1 A 15 15 ASP CA C 15 54.763 57.380 -2.617 1
1 101 . 10 1 1 A 15 15 ASP CB C 15 40.533 41.825 -1.292 1
1 102 . 10 1 1 A 15 15 ASP N N 15 119.870 119.342 0.528 1
1 103 . 10 1 1 A 16 16 HIS H H 16 8.034 8.210 -0.176 1
1 104 . 10 1 1 A 16 16 HIS HA H 16 4.419 4.258 0.161 1
1 109 . 10 1 1 A 16 16 HIS CA C 16 58.742 59.140 -0.398 1
1 110 . 10 1 1 A 16 16 HIS CB C 16 30.675 29.916 0.759 1
1 113 . 10 1 1 A 16 16 HIS N N 16 124.264 118.369 5.895 1
1 114 . 10 1 1 A 17 17 MET H H 17 8.049 8.164 -0.115 1
1 115 . 10 1 1 A 17 17 MET HA H 17 4.160 3.986 0.174 1
1 123 . 10 1 1 A 17 17 MET CA C 17 57.275 58.142 -0.867 1
1 124 . 10 1 1 A 17 17 MET CB C 17 31.055 33.128 -2.073 1
1 127 . 10 1 1 A 17 17 MET N N 17 117.829 118.049 -0.220 1
1 128 . 10 1 1 A 18 18 SER HA H 18 4.134 4.131 0.003 1
1 131 . 10 1 1 A 18 18 SER C C 18 176.941 176.034 0.907 1
1 132 . 10 1 1 A 18 18 SER CA C 18 61.889 62.114 -0.225 1
1 133 . 10 1 1 A 18 18 SER CB C 18 62.424 62.601 -0.177 1
1 134 . 10 1 1 A 19 19 VAL H H 19 7.568 7.912 -0.344 1
1 135 . 10 1 1 A 19 19 VAL HA H 19 3.809 3.560 0.249 1
1 143 . 10 1 1 A 19 19 VAL C C 19 177.913 177.634 0.279 1
1 144 . 10 1 1 A 19 19 VAL CA C 19 65.637 65.229 0.408 1
1 145 . 10 1 1 A 19 19 VAL CB C 19 31.737 31.522 0.215 1
1 148 . 10 1 1 A 19 19 VAL N N 19 122.341 120.555 1.786 1
1 149 . 10 1 1 A 20 20 LEU H H 20 7.788 7.618 0.170 1
1 150 . 10 1 1 A 20 20 LEU HA H 20 3.940 4.163 -0.223 1
1 160 . 10 1 1 A 20 20 LEU C C 20 178.520 179.018 -0.498 1
1 161 . 10 1 1 A 20 20 LEU CA C 20 58.336 57.847 0.489 1
1 162 . 10 1 1 A 20 20 LEU CB C 20 39.138 41.087 -1.949 1
1 166 . 10 1 1 A 20 20 LEU N N 20 120.156 121.114 -0.958 1
1 167 . 10 1 1 A 21 21 LYS H H 21 8.067 8.198 -0.131 1
1 168 . 10 1 1 A 21 21 LYS HA H 21 4.047 4.443 -0.396 1
1 175 . 10 1 1 A 21 21 LYS C C 21 179.102 179.049 0.053 1
1 176 . 10 1 1 A 21 21 LYS CA C 21 60.667 58.988 1.679 1
1 177 . 10 1 1 A 21 21 LYS CB C 21 32.519 32.176 0.343 1
1 181 . 10 1 1 A 21 21 LYS N N 21 117.374 117.470 -0.096 1
1 182 . 10 1 1 A 22 22 ALA H H 22 7.718 8.178 -0.460 1
1 183 . 10 1 1 A 22 22 ALA HA H 22 4.217 4.135 0.082 1
1 187 . 10 1 1 A 22 22 ALA C C 22 180.486 179.324 1.162 1
1 188 . 10 1 1 A 22 22 ALA CA C 22 54.954 54.936 0.018 1
1 189 . 10 1 1 A 22 22 ALA CB C 22 17.934 18.154 -0.220 1
1 190 . 10 1 1 A 22 22 ALA N N 22 122.528 122.480 0.048 1
1 191 . 10 1 1 A 23 23 TYR H H 23 8.036 7.302 0.734 1
1 192 . 10 1 1 A 23 23 TYR HA H 23 4.291 4.411 -0.120 1
1 199 . 10 1 1 A 23 23 TYR C C 23 178.860 178.464 0.396 1
1 200 . 10 1 1 A 23 23 TYR CA C 23 62.616 61.698 0.918 1
1 201 . 10 1 1 A 23 23 TYR CB C 23 38.455 38.120 0.335 1
1 206 . 10 1 1 A 23 23 TYR N N 23 117.835 116.069 1.766 1
1 207 . 10 1 1 A 24 24 TYR H H 24 8.856 8.147 0.709 1
1 208 . 10 1 1 A 24 24 TYR HA H 24 4.420 4.897 -0.477 1
1 215 . 10 1 1 A 24 24 TYR C C 24 175.484 176.982 -1.498 1
1 216 . 10 1 1 A 24 24 TYR CA C 24 61.291 62.057 -0.766 1
1 217 . 10 1 1 A 24 24 TYR CB C 24 38.629 38.825 -0.196 1
1 222 . 10 1 1 A 24 24 TYR N N 24 122.534 120.558 1.976 1
1 223 . 10 1 1 A 25 25 ALA H H 25 7.616 8.215 -0.599 1
1 224 . 10 1 1 A 25 25 ALA HA H 25 4.084 4.197 -0.113 1
1 228 . 10 1 1 A 25 25 ALA C C 25 179.224 180.264 -1.040 1
1 229 . 10 1 1 A 25 25 ALA CA C 25 53.893 55.567 -1.674 1
1 230 . 10 1 1 A 25 25 ALA CB C 25 18.433 18.710 -0.277 1
1 231 . 10 1 1 A 25 25 ALA N N 25 116.147 121.697 -5.550 1
1 232 . 10 1 1 A 26 26 MET H H 26 7.379 7.934 -0.555 1
1 233 . 10 1 1 A 26 26 MET HA H 26 4.353 4.267 0.086 1
1 241 . 10 1 1 A 26 26 MET C C 26 176.529 176.630 -0.101 1
1 242 . 10 1 1 A 26 26 MET CA C 26 56.724 58.238 -1.514 1
1 243 . 10 1 1 A 26 26 MET CB C 26 33.645 33.240 0.405 1
1 246 . 10 1 1 A 26 26 MET N N 26 114.990 116.978 -1.988 1
1 247 . 10 1 1 A 27 27 ASN H H 27 7.865 8.099 -0.234 1
1 248 . 10 1 1 A 27 27 ASN HA H 27 4.562 5.019 -0.457 1
1 253 . 10 1 1 A 27 27 ASN C C 27 173.323 175.420 -2.097 1
1 254 . 10 1 1 A 27 27 ASN CA C 27 53.143 51.654 1.489 1
1 255 . 10 1 1 A 27 27 ASN CB C 27 38.096 39.398 -1.302 1
1 256 . 10 1 1 A 27 27 ASN N N 27 117.385 117.004 0.381 1
1 258 . 10 1 1 A 28 28 MET H H 28 8.400 8.698 -0.298 1
1 259 . 10 1 1 A 28 28 MET HA H 28 4.064 3.965 0.099 1
1 267 . 10 1 1 A 28 28 MET C C 28 175.557 176.246 -0.689 1
1 268 . 10 1 1 A 28 28 MET CA C 28 57.419 58.350 -0.931 1
1 269 . 10 1 1 A 28 28 MET CB C 28 33.795 32.399 1.396 1
1 272 . 10 1 1 A 28 28 MET N N 28 121.660 124.547 -2.887 1
1 273 . 10 1 1 A 29 29 GLU H H 29 7.821 8.180 -0.359 1
1 274 . 10 1 1 A 29 29 GLU HA H 29 4.757 4.441 0.316 1
1 279 . 10 1 1 A 29 29 GLU C C 29 172.328 173.265 -0.937 1
1 280 . 10 1 1 A 29 29 GLU CA C 29 53.293 53.061 0.232 1
1 281 . 10 1 1 A 29 29 GLU CB C 29 30.761 30.282 0.479 1
1 283 . 10 1 1 A 29 29 GLU N N 29 116.541 118.908 -2.367 1
1 284 . 10 1 1 A 30 30 PRO HA H 30 4.475 4.456 0.019 1
1 291 . 10 1 1 A 30 30 PRO C C 30 177.014 176.191 0.823 1
1 292 . 10 1 1 A 30 30 PRO CA C 30 62.603 62.127 0.476 1
1 293 . 10 1 1 A 30 30 PRO CB C 30 31.915 32.370 -0.455 1
1 296 . 10 1 1 A 31 31 ASN H H 31 8.909 8.278 0.631 1
1 297 . 10 1 1 A 31 31 ASN HA H 31 4.673 4.871 -0.198 1
1 302 . 10 1 1 A 31 31 ASN C C 31 175.460 176.794 -1.334 1
1 303 . 10 1 1 A 31 31 ASN CA C 31 51.303 50.858 0.445 1
1 304 . 10 1 1 A 31 31 ASN CB C 31 38.261 39.866 -1.605 1
1 305 . 10 1 1 A 31 31 ASN N N 31 120.499 118.957 1.542 1
1 307 . 10 1 1 A 32 32 SER H H 32 8.486 8.849 -0.363 1
1 308 . 10 1 1 A 32 32 SER HA H 32 4.024 4.053 -0.029 1
1 311 . 10 1 1 A 32 32 SER C C 32 176.650 176.210 0.440 1
1 312 . 10 1 1 A 32 32 SER CA C 32 62.621 61.808 0.813 1
1 313 . 10 1 1 A 32 32 SER CB C 32 62.675 63.017 -0.342 1
1 314 . 10 1 1 A 32 32 SER N N 32 112.460 113.817 -1.357 1
1 315 . 10 1 1 A 33 33 ASP H H 33 7.935 8.179 -0.244 1
1 316 . 10 1 1 A 33 33 ASP HA H 33 4.441 4.272 0.169 1
1 319 . 10 1 1 A 33 33 ASP C C 33 178.811 178.939 -0.128 1
1 320 . 10 1 1 A 33 33 ASP CA C 33 57.456 57.527 -0.071 1
1 321 . 10 1 1 A 33 33 ASP CB C 33 40.870 40.805 0.065 1
1 322 . 10 1 1 A 33 33 ASP N N 33 122.575 122.271 0.304 1
1 323 . 10 1 1 A 34 34 GLU H H 34 8.442 8.010 0.432 1
1 324 . 10 1 1 A 34 34 GLU HA H 34 3.898 3.919 -0.021 1
1 329 . 10 1 1 A 34 34 GLU C C 34 179.127 178.962 0.165 1
1 330 . 10 1 1 A 34 34 GLU CA C 34 59.041 59.223 -0.182 1
1 331 . 10 1 1 A 34 34 GLU CB C 34 29.854 29.417 0.437 1
1 333 . 10 1 1 A 34 34 GLU N N 34 121.743 119.494 2.249 1
1 334 . 10 1 1 A 35 35 LEU H H 35 8.723 8.427 0.296 1
1 335 . 10 1 1 A 35 35 LEU HA H 35 3.735 3.733 0.002 1
1 345 . 10 1 1 A 35 35 LEU C C 35 179.321 178.744 0.577 1
1 346 . 10 1 1 A 35 35 LEU CA C 35 58.118 57.863 0.255 1
1 347 . 10 1 1 A 35 35 LEU CB C 35 42.428 41.524 0.904 1
1 351 . 10 1 1 A 35 35 LEU N N 35 119.674 120.865 -1.191 1
1 352 . 10 1 1 A 36 36 LEU H H 36 7.651 8.091 -0.440 1
1 353 . 10 1 1 A 36 36 LEU HA H 36 4.039 3.909 0.130 1
1 363 . 10 1 1 A 36 36 LEU C C 36 178.908 178.472 0.436 1
1 364 . 10 1 1 A 36 36 LEU CA C 36 58.414 58.778 -0.364 1
1 365 . 10 1 1 A 36 36 LEU CB C 36 41.040 41.959 -0.919 1
1 369 . 10 1 1 A 36 36 LEU N N 36 121.058 119.793 1.265 1
1 370 . 10 1 1 A 37 37 LYS H H 37 7.704 7.730 -0.026 1
1 371 . 10 1 1 A 37 37 LYS HA H 37 3.874 3.888 -0.014 1
1 379 . 10 1 1 A 37 37 LYS C C 37 180.025 178.981 1.044 1
1 380 . 10 1 1 A 37 37 LYS CA C 37 60.345 59.308 1.037 1
1 381 . 10 1 1 A 37 37 LYS CB C 37 32.327 32.305 0.022 1
1 385 . 10 1 1 A 37 37 LYS N N 37 119.032 117.717 1.315 1
1 386 . 10 1 1 A 38 38 ILE H H 38 8.413 8.200 0.213 1
1 387 . 10 1 1 A 38 38 ILE HA H 38 3.296 3.271 0.025 1
1 397 . 10 1 1 A 38 38 ILE C C 38 177.063 177.814 -0.751 1
1 398 . 10 1 1 A 38 38 ILE CA C 38 65.479 65.085 0.394 1
1 399 . 10 1 1 A 38 38 ILE CB C 38 38.384 37.571 0.813 1
1 403 . 10 1 1 A 38 38 ILE N N 38 120.466 120.999 -0.533 1
1 404 . 10 1 1 A 39 39 SER H H 39 8.183 7.979 0.204 1
1 405 . 10 1 1 A 39 39 SER HA H 39 4.047 4.375 -0.328 1
1 408 . 10 1 1 A 39 39 SER C C 39 176.359 176.622 -0.263 1
1 409 . 10 1 1 A 39 39 SER CA C 39 62.620 61.922 0.698 1
1 410 . 10 1 1 A 39 39 SER CB C 39 62.548 63.108 -0.560 1
1 411 . 10 1 1 A 39 39 SER N N 39 115.371 115.501 -0.130 1
1 412 . 10 1 1 A 40 40 ILE H H 40 7.983 7.935 0.048 1
1 413 . 10 1 1 A 40 40 ILE HA H 40 3.785 3.710 0.075 1
1 423 . 10 1 1 A 40 40 ILE C C 40 178.714 177.824 0.890 1
1 424 . 10 1 1 A 40 40 ILE CA C 40 64.307 65.469 -1.162 1
1 425 . 10 1 1 A 40 40 ILE CB C 40 38.440 37.859 0.581 1
1 429 . 10 1 1 A 40 40 ILE N N 40 121.913 123.308 -1.395 1
1 430 . 10 1 1 A 41 41 ALA H H 41 7.886 8.811 -0.925 1
1 431 . 10 1 1 A 41 41 ALA HA H 41 4.157 4.060 0.097 1
1 435 . 10 1 1 A 41 41 ALA C C 41 180.147 179.625 0.522 1
1 436 . 10 1 1 A 41 41 ALA CA C 41 55.268 55.532 -0.264 1
1 437 . 10 1 1 A 41 41 ALA CB C 41 18.646 18.729 -0.083 1
1 438 . 10 1 1 A 41 41 ALA N N 41 122.775 122.479 0.296 1
1 439 . 10 1 1 A 42 42 VAL H H 42 8.268 7.231 1.037 1
1 440 . 10 1 1 A 42 42 VAL HA H 42 4.352 4.048 0.304 1
1 448 . 10 1 1 A 42 42 VAL C C 42 175.849 176.962 -1.113 1
1 449 . 10 1 1 A 42 42 VAL CA C 42 61.352 63.955 -2.603 1
1 450 . 10 1 1 A 42 42 VAL CB C 42 32.632 33.090 -0.458 1
1 453 . 10 1 1 A 42 42 VAL N N 42 108.944 111.900 -2.956 1
1 454 . 10 1 1 A 43 43 GLY H H 43 7.837 7.957 -0.120 1
1 455 . 10 1 1 A 43 43 GLY HA2 H 43 3.937 4.049 -0.112 1
1 456 . 10 1 1 A 43 43 GLY HA3 H 43 3.852 4.070 -0.218 1
1 457 . 10 1 1 A 43 43 GLY C C 43 174.392 174.107 0.285 1
1 458 . 10 1 1 A 43 43 GLY CA C 43 46.770 45.303 1.467 1
1 459 . 10 1 1 A 43 43 GLY N N 43 110.644 112.674 -2.030 1
1 460 . 10 1 1 A 44 44 LEU H H 44 7.483 8.326 -0.843 1
1 461 . 10 1 1 A 44 44 LEU HA H 44 4.833 4.684 0.149 1
1 471 . 10 1 1 A 44 44 LEU C C 44 173.348 174.670 -1.322 1
1 472 . 10 1 1 A 44 44 LEU CA C 44 51.178 52.239 -1.061 1
1 473 . 10 1 1 A 44 44 LEU CB C 44 45.096 42.197 2.899 1
1 477 . 10 1 1 A 44 44 LEU N N 44 118.486 122.088 -3.602 1
1 478 . 10 1 1 A 45 45 PRO HA H 45 4.447 4.723 -0.276 1
1 485 . 10 1 1 A 45 45 PRO C C 45 178.301 177.877 0.424 1
1 486 . 10 1 1 A 45 45 PRO CA C 45 62.740 63.001 -0.261 1
1 487 . 10 1 1 A 45 45 PRO CB C 45 32.626 31.745 0.881 1
1 490 . 10 1 1 A 46 46 GLN H H 46 9.200 8.974 0.226 1
1 491 . 10 1 1 A 46 46 GLN HA H 46 4.007 4.350 -0.343 1
1 498 . 10 1 1 A 46 46 GLN C C 46 177.718 177.908 -0.190 1
1 499 . 10 1 1 A 46 46 GLN CA C 46 60.099 59.296 0.803 1
1 500 . 10 1 1 A 46 46 GLN CB C 46 28.371 28.792 -0.421 1
1 502 . 10 1 1 A 46 46 GLN N N 46 125.692 124.462 1.230 1
1 504 . 10 1 1 A 47 47 GLU H H 47 9.618 8.538 1.080 1
1 505 . 10 1 1 A 47 47 GLU HA H 47 4.036 4.084 -0.048 1
1 510 . 10 1 1 A 47 47 GLU C C 47 178.860 178.906 -0.046 1
1 511 . 10 1 1 A 47 47 GLU CA C 47 60.029 59.349 0.680 1
1 512 . 10 1 1 A 47 47 GLU CB C 47 28.746 29.533 -0.787 1
1 514 . 10 1 1 A 47 47 GLU N N 47 117.907 118.904 -0.997 1
1 515 . 10 1 1 A 48 48 PHE H H 48 7.194 8.196 -1.002 1
1 516 . 10 1 1 A 48 48 PHE HA H 48 4.385 4.353 0.032 1
1 524 . 10 1 1 A 48 48 PHE C C 48 177.524 177.246 0.278 1
1 525 . 10 1 1 A 48 48 PHE CA C 48 60.699 61.429 -0.730 1
1 526 . 10 1 1 A 48 48 PHE CB C 48 39.190 39.222 -0.032 1
1 532 . 10 1 1 A 48 48 PHE N N 48 119.141 121.549 -2.408 1
1 533 . 10 1 1 A 49 49 VAL H H 49 7.761 8.197 -0.436 1
1 534 . 10 1 1 A 49 49 VAL HA H 49 3.509 3.825 -0.316 1
1 542 . 10 1 1 A 49 49 VAL C C 49 177.306 178.188 -0.882 1
1 543 . 10 1 1 A 49 49 VAL CA C 49 67.242 67.050 0.192 1
1 544 . 10 1 1 A 49 49 VAL CB C 49 31.844 31.651 0.193 1
1 547 . 10 1 1 A 49 49 VAL N N 49 120.478 119.352 1.126 1
1 548 . 10 1 1 A 50 50 LYS H H 50 8.751 8.128 0.623 1
1 549 . 10 1 1 A 50 50 LYS HA H 50 4.023 4.029 -0.006 1
1 557 . 10 1 1 A 50 50 LYS C C 50 178.593 179.042 -0.449 1
1 558 . 10 1 1 A 50 50 LYS CA C 50 60.274 59.828 0.446 1
1 559 . 10 1 1 A 50 50 LYS CB C 50 32.821 32.669 0.152 1
1 563 . 10 1 1 A 50 50 LYS N N 50 119.513 120.243 -0.730 1
1 564 . 10 1 1 A 51 51 GLU H H 51 7.636 8.003 -0.367 1
1 565 . 10 1 1 A 51 51 GLU HA H 51 4.110 4.020 0.090 1
1 570 . 10 1 1 A 51 51 GLU C C 51 177.791 178.939 -1.148 1
1 571 . 10 1 1 A 51 51 GLU CA C 51 59.253 59.302 -0.049 1
1 572 . 10 1 1 A 51 51 GLU CB C 51 29.442 29.449 -0.007 1
1 574 . 10 1 1 A 51 51 GLU N N 51 118.681 117.457 1.224 1
1 575 . 10 1 1 A 52 52 TRP H H 52 8.396 7.924 0.472 1
1 576 . 10 1 1 A 52 52 TRP HA H 52 3.794 4.225 -0.431 1
1 585 . 10 1 1 A 52 52 TRP C C 52 179.709 178.338 1.371 1
1 586 . 10 1 1 A 52 52 TRP CA C 52 62.688 60.672 2.016 1
1 587 . 10 1 1 A 52 52 TRP CB C 52 28.806 29.532 -0.726 1
1 593 . 10 1 1 A 52 52 TRP N N 52 121.740 121.701 0.039 1
1 595 . 10 1 1 A 53 53 PHE H H 53 8.602 8.409 0.193 1
1 596 . 10 1 1 A 53 53 PHE HA H 53 3.899 4.104 -0.205 1
1 604 . 10 1 1 A 53 53 PHE C C 53 179.297 178.109 1.188 1
1 605 . 10 1 1 A 53 53 PHE CA C 53 63.414 62.341 1.073 1
1 606 . 10 1 1 A 53 53 PHE CB C 53 39.480 38.610 0.870 1
1 612 . 10 1 1 A 53 53 PHE N N 53 117.648 117.989 -0.341 1
1 613 . 10 1 1 A 54 54 GLU H H 54 8.372 8.200 0.172 1
1 614 . 10 1 1 A 54 54 GLU HA H 54 4.070 3.872 0.198 1
1 619 . 10 1 1 A 54 54 GLU C C 54 179.540 179.143 0.397 1
1 620 . 10 1 1 A 54 54 GLU CA C 54 59.676 59.848 -0.172 1
1 621 . 10 1 1 A 54 54 GLU CB C 54 29.448 29.057 0.391 1
1 623 . 10 1 1 A 54 54 GLU N N 54 120.198 119.089 1.109 1
1 624 . 10 1 1 A 55 55 GLN H H 55 8.275 7.912 0.363 1
1 625 . 10 1 1 A 55 55 GLN HA H 55 3.975 3.671 0.304 1
1 632 . 10 1 1 A 55 55 GLN C C 55 177.913 177.989 -0.076 1
1 633 . 10 1 1 A 55 55 GLN CA C 55 57.773 59.113 -1.340 1
1 634 . 10 1 1 A 55 55 GLN CB C 55 28.075 27.829 0.246 1
1 636 . 10 1 1 A 55 55 GLN N N 55 117.674 118.540 -0.866 1
1 638 . 10 1 1 A 56 56 ARG H H 56 7.413 7.694 -0.281 1
1 639 . 10 1 1 A 56 56 ARG HA H 56 3.727 4.024 -0.297 1
1 646 . 10 1 1 A 56 56 ARG C C 56 177.670 178.618 -0.948 1
1 647 . 10 1 1 A 56 56 ARG CA C 56 57.278 58.848 -1.570 1
1 648 . 10 1 1 A 56 56 ARG CB C 56 29.564 29.742 -0.178 1
1 651 . 10 1 1 A 56 56 ARG N N 56 119.111 119.784 -0.673 1
1 652 . 10 1 1 A 57 57 LYS H H 57 7.468 7.823 -0.355 1
1 653 . 10 1 1 A 57 57 LYS HA H 57 4.215 4.193 0.022 1
1 662 . 10 1 1 A 57 57 LYS C C 57 177.937 178.832 -0.895 1
1 663 . 10 1 1 A 57 57 LYS CA C 57 58.454 59.154 -0.700 1
1 664 . 10 1 1 A 57 57 LYS CB C 57 32.656 32.518 0.138 1
1 668 . 10 1 1 A 57 57 LYS N N 57 118.984 118.999 -0.015 1
1 669 . 10 1 1 A 58 58 VAL H H 58 7.564 7.340 0.224 1
1 670 . 10 1 1 A 58 58 VAL HA H 58 3.866 3.663 0.203 1
1 678 . 10 1 1 A 58 58 VAL C C 58 177.306 177.445 -0.139 1
1 679 . 10 1 1 A 58 58 VAL CA C 58 64.013 65.776 -1.763 1
1 680 . 10 1 1 A 58 58 VAL CB C 58 32.128 31.327 0.801 1
1 683 . 10 1 1 A 58 58 VAL N N 58 118.037 119.702 -1.665 1
1 684 . 10 1 1 A 59 59 TYR H H 59 7.871 6.533 1.338 1
1 685 . 10 1 1 A 59 59 TYR HA H 59 4.381 4.348 0.033 1
1 692 . 10 1 1 A 59 59 TYR C C 59 176.577 178.983 -2.406 1
1 693 . 10 1 1 A 59 59 TYR CA C 59 59.112 60.568 -1.456 1
1 694 . 10 1 1 A 59 59 TYR CB C 59 38.382 38.645 -0.263 1
1 699 . 10 1 1 A 59 59 TYR N N 59 121.466 118.756 2.710 1
1 700 . 10 1 1 A 60 60 GLN H H 60 8.074 8.080 -0.006 1
1 701 . 10 1 1 A 60 60 GLN HA H 60 4.103 4.100 0.003 1
1 708 . 10 1 1 A 60 60 GLN C C 60 176.334 177.218 -0.884 1
1 709 . 10 1 1 A 60 60 GLN CA C 60 56.820 58.198 -1.378 1
1 710 . 10 1 1 A 60 60 GLN CB C 60 29.003 28.153 0.850 1
1 712 . 10 1 1 A 60 60 GLN N N 60 120.517 117.652 2.865 1
1 714 . 10 1 1 A 61 61 TYR H H 61 8.001 7.960 0.041 1
1 715 . 10 1 1 A 61 61 TYR HA H 61 4.544 4.371 0.173 1
1 722 . 10 1 1 A 61 61 TYR C C 61 176.456 178.226 -1.770 1
1 723 . 10 1 1 A 61 61 TYR CA C 61 58.442 60.275 -1.833 1
1 724 . 10 1 1 A 61 61 TYR CB C 61 38.408 39.603 -1.195 1
1 729 . 10 1 1 A 61 61 TYR N N 61 119.641 118.962 0.679 1
1 730 . 10 1 1 A 62 62 SER H H 62 8.071 8.093 -0.022 1
1 731 . 10 1 1 A 62 62 SER HA H 62 4.371 4.286 0.085 1
1 734 . 10 1 1 A 62 62 SER C C 62 174.440 174.924 -0.484 1
1 735 . 10 1 1 A 62 62 SER CA C 62 58.830 61.434 -2.604 1
1 736 . 10 1 1 A 62 62 SER CB C 62 63.806 63.192 0.614 1
1 737 . 10 1 1 A 62 62 SER N N 62 116.272 115.502 0.770 1
1 738 . 10 1 1 A 63 63 ASN HA H 63 4.737 4.812 -0.075 1
1 743 . 10 1 1 A 63 63 ASN CA C 63 50.823 54.084 -3.261 1
1 744 . 10 1 1 A 63 63 ASN CB C 63 38.920 39.096 -0.176 1
1 746 . 10 1 1 A 64 64 SER HA H 64 4.407 5.240 -0.833 1
1 749 . 10 1 1 A 64 64 SER C C 64 174.610 173.229 1.381 1
1 750 . 10 1 1 A 64 64 SER CA C 64 58.794 56.301 2.493 1
1 751 . 10 1 1 A 64 64 SER CB C 64 63.727 66.252 -2.525 1
1 752 . 10 1 1 A 65 65 ARG H H 65 8.263 8.220 0.043 1
1 753 . 10 1 1 A 65 65 ARG HA H 65 4.405 4.761 -0.356 1
1 760 . 10 1 1 A 65 65 ARG C C 65 176.310 176.276 0.034 1
1 761 . 10 1 1 A 65 65 ARG CA C 65 56.185 53.823 2.362 1
1 762 . 10 1 1 A 65 65 ARG CB C 65 30.643 33.472 -2.829 1
1 765 . 10 1 1 A 65 65 ARG N N 65 122.520 120.636 1.884 1
1 766 . 10 1 1 A 66 66 SER H H 66 8.253 8.923 -0.670 1
1 767 . 10 1 1 A 66 66 SER HA H 66 4.507 4.144 0.363 1
1 770 . 10 1 1 A 66 66 SER C C 66 174.489 174.576 -0.087 1
1 771 . 10 1 1 A 66 66 SER CA C 66 58.320 60.730 -2.410 1
1 772 . 10 1 1 A 66 66 SER CB C 66 63.974 63.663 0.311 1
1 773 . 10 1 1 A 66 66 SER N N 66 116.498 117.380 -0.882 1
1 774 . 10 1 1 A 67 67 GLY H H 67 8.201 7.232 0.969 1
1 775 . 10 1 1 A 67 67 GLY HA2 H 67 4.113 4.059 0.054 1
1 776 . 10 1 1 A 67 67 GLY C C 67 171.769 172.220 -0.451 1
1 777 . 10 1 1 A 67 67 GLY CA C 67 44.689 45.312 -0.623 1
1 778 . 10 1 1 A 67 67 GLY N N 67 110.648 106.489 4.159 1
1 781 . 10 1 1 A 69 69 SER HA H 69 4.481 3.969 0.512 1
1 784 . 10 1 1 A 69 69 SER C C 69 174.659 173.064 1.595 1
1 785 . 10 1 1 A 69 69 SER CA C 69 58.371 59.064 -0.693 1
1 786 . 10 1 1 A 69 69 SER CB C 69 63.645 61.548 2.097 1
1 787 . 10 1 1 A 70 70 SER H H 70 8.303 7.816 0.487 1
1 788 . 10 1 1 A 70 70 SER HA H 70 4.473 5.045 -0.572 1
1 791 . 10 1 1 A 70 70 SER C C 70 173.930 173.926 0.004 1
1 792 . 10 1 1 A 70 70 SER CA C 70 58.406 56.216 2.190 1
1 793 . 10 1 1 A 70 70 SER CB C 70 64.057 65.956 -1.899 1
1 794 . 10 1 1 A 70 70 SER N N 70 117.757 113.521 4.236 1
1 1 . 11 1 1 A 7 7 GLY HA2 H 7 3.980 4.124 -0.144 1
1 2 . 11 1 1 A 7 7 GLY HA3 H 7 3.980 4.124 -0.144 1
1 3 . 11 1 1 A 7 7 GLY C C 7 173.809 172.537 1.272 1
1 4 . 11 1 1 A 7 7 GLY CA C 7 45.148 45.632 -0.484 1
1 5 . 11 1 1 A 8 8 SER H H 8 8.167 8.574 -0.407 1
1 6 . 11 1 1 A 8 8 SER C C 8 172.741 173.131 -0.390 1
1 7 . 11 1 1 A 8 8 SER CA C 8 56.432 57.070 -0.638 1
1 8 . 11 1 1 A 8 8 SER CB C 8 63.397 63.693 -0.296 1
1 9 . 11 1 1 A 8 8 SER N N 8 116.986 121.462 -4.476 1
1 10 . 11 1 1 A 9 9 PRO HA H 9 4.471 4.736 -0.265 1
1 17 . 11 1 1 A 9 9 PRO C C 9 176.771 175.591 1.180 1
1 18 . 11 1 1 A 9 9 PRO CA C 9 63.244 62.683 0.561 1
1 19 . 11 1 1 A 9 9 PRO CB C 9 32.121 31.464 0.657 1
1 22 . 11 1 1 A 10 10 ILE H H 10 8.173 8.616 -0.443 1
1 23 . 11 1 1 A 10 10 ILE HA H 10 4.084 4.787 -0.703 1
1 33 . 11 1 1 A 10 10 ILE C C 10 175.703 174.900 0.803 1
1 34 . 11 1 1 A 10 10 ILE CA C 10 61.051 60.064 0.987 1
1 35 . 11 1 1 A 10 10 ILE CB C 10 38.806 40.044 -1.238 1
1 39 . 11 1 1 A 10 10 ILE N N 10 120.782 125.058 -4.276 1
1 40 . 11 1 1 A 11 11 ASN H H 11 8.538 8.365 0.173 1
1 41 . 11 1 1 A 11 11 ASN HA H 11 4.992 5.188 -0.196 1
1 46 . 11 1 1 A 11 11 ASN C C 11 173.785 174.989 -1.204 1
1 47 . 11 1 1 A 11 11 ASN CA C 11 50.794 49.633 1.161 1
1 48 . 11 1 1 A 11 11 ASN CB C 11 39.063 41.870 -2.807 1
1 49 . 11 1 1 A 11 11 ASN N N 11 123.456 124.896 -1.440 1
1 51 . 11 1 1 A 12 12 PRO HA H 12 4.328 4.388 -0.060 1
1 58 . 11 1 1 A 12 12 PRO C C 12 176.674 177.501 -0.827 1
1 59 . 11 1 1 A 12 12 PRO CA C 12 63.616 65.261 -1.645 1
1 60 . 11 1 1 A 12 12 PRO CB C 12 31.997 31.891 0.106 1
1 63 . 11 1 1 A 13 13 TYR H H 13 7.994 7.996 -0.002 1
1 64 . 11 1 1 A 13 13 TYR HA H 13 4.574 4.800 -0.226 1
1 71 . 11 1 1 A 13 13 TYR C C 13 176.237 177.975 -1.738 1
1 72 . 11 1 1 A 13 13 TYR CA C 13 57.866 58.851 -0.985 1
1 73 . 11 1 1 A 13 13 TYR CB C 13 38.013 39.666 -1.653 1
1 78 . 11 1 1 A 13 13 TYR N N 13 118.352 116.088 2.264 1
1 79 . 11 1 1 A 14 14 LYS H H 14 7.727 7.404 0.323 1
1 80 . 11 1 1 A 14 14 LYS HA H 14 4.131 3.776 0.355 1
1 88 . 11 1 1 A 14 14 LYS C C 14 176.626 178.299 -1.673 1
1 89 . 11 1 1 A 14 14 LYS CA C 14 57.704 59.048 -1.344 1
1 90 . 11 1 1 A 14 14 LYS CB C 14 33.154 31.630 1.524 1
1 94 . 11 1 1 A 14 14 LYS N N 14 121.585 122.271 -0.686 1
1 95 . 11 1 1 A 15 15 ASP H H 15 8.374 7.883 0.491 1
1 96 . 11 1 1 A 15 15 ASP HA H 15 4.620 4.220 0.400 1
1 99 . 11 1 1 A 15 15 ASP C C 15 174.125 178.480 -4.355 1
1 100 . 11 1 1 A 15 15 ASP CA C 15 54.763 57.294 -2.531 1
1 101 . 11 1 1 A 15 15 ASP CB C 15 40.533 41.866 -1.333 1
1 102 . 11 1 1 A 15 15 ASP N N 15 119.870 119.514 0.356 1
1 103 . 11 1 1 A 16 16 HIS H H 16 8.034 8.159 -0.125 1
1 104 . 11 1 1 A 16 16 HIS HA H 16 4.419 4.301 0.118 1
1 109 . 11 1 1 A 16 16 HIS CA C 16 58.742 59.292 -0.550 1
1 110 . 11 1 1 A 16 16 HIS CB C 16 30.675 29.812 0.863 1
1 113 . 11 1 1 A 16 16 HIS N N 16 124.264 118.435 5.829 1
1 114 . 11 1 1 A 17 17 MET H H 17 8.049 7.742 0.307 1
1 115 . 11 1 1 A 17 17 MET HA H 17 4.160 3.993 0.167 1
1 123 . 11 1 1 A 17 17 MET CA C 17 57.275 58.045 -0.770 1
1 124 . 11 1 1 A 17 17 MET CB C 17 31.055 33.372 -2.317 1
1 127 . 11 1 1 A 17 17 MET N N 17 117.829 117.579 0.250 1
1 128 . 11 1 1 A 18 18 SER HA H 18 4.134 4.099 0.035 1
1 131 . 11 1 1 A 18 18 SER C C 18 176.941 175.964 0.977 1
1 132 . 11 1 1 A 18 18 SER CA C 18 61.889 62.120 -0.231 1
1 133 . 11 1 1 A 18 18 SER CB C 18 62.424 62.577 -0.153 1
1 134 . 11 1 1 A 19 19 VAL H H 19 7.568 7.981 -0.413 1
1 135 . 11 1 1 A 19 19 VAL HA H 19 3.809 3.548 0.261 1
1 143 . 11 1 1 A 19 19 VAL C C 19 177.913 177.432 0.481 1
1 144 . 11 1 1 A 19 19 VAL CA C 19 65.637 65.316 0.321 1
1 145 . 11 1 1 A 19 19 VAL CB C 19 31.737 31.688 0.049 1
1 148 . 11 1 1 A 19 19 VAL N N 19 122.341 120.567 1.774 1
1 149 . 11 1 1 A 20 20 LEU H H 20 7.788 8.064 -0.276 1
1 150 . 11 1 1 A 20 20 LEU HA H 20 3.940 4.020 -0.080 1
1 160 . 11 1 1 A 20 20 LEU C C 20 178.520 179.562 -1.042 1
1 161 . 11 1 1 A 20 20 LEU CA C 20 58.336 58.044 0.292 1
1 162 . 11 1 1 A 20 20 LEU CB C 20 39.138 40.733 -1.595 1
1 166 . 11 1 1 A 20 20 LEU N N 20 120.156 121.367 -1.211 1
1 167 . 11 1 1 A 21 21 LYS H H 21 8.067 8.188 -0.121 1
1 168 . 11 1 1 A 21 21 LYS HA H 21 4.047 4.372 -0.325 1
1 175 . 11 1 1 A 21 21 LYS C C 21 179.102 179.190 -0.088 1
1 176 . 11 1 1 A 21 21 LYS CA C 21 60.667 59.121 1.546 1
1 177 . 11 1 1 A 21 21 LYS CB C 21 32.519 32.223 0.296 1
1 181 . 11 1 1 A 21 21 LYS N N 21 117.374 117.966 -0.592 1
1 182 . 11 1 1 A 22 22 ALA H H 22 7.718 7.973 -0.255 1
1 183 . 11 1 1 A 22 22 ALA HA H 22 4.217 4.095 0.122 1
1 187 . 11 1 1 A 22 22 ALA C C 22 180.486 179.843 0.643 1
1 188 . 11 1 1 A 22 22 ALA CA C 22 54.954 55.072 -0.118 1
1 189 . 11 1 1 A 22 22 ALA CB C 22 17.934 18.675 -0.741 1
1 190 . 11 1 1 A 22 22 ALA N N 22 122.528 122.335 0.193 1
1 191 . 11 1 1 A 23 23 TYR H H 23 8.036 8.064 -0.028 1
1 192 . 11 1 1 A 23 23 TYR HA H 23 4.291 4.381 -0.090 1
1 199 . 11 1 1 A 23 23 TYR C C 23 178.860 178.273 0.587 1
1 200 . 11 1 1 A 23 23 TYR CA C 23 62.616 60.937 1.679 1
1 201 . 11 1 1 A 23 23 TYR CB C 23 38.455 38.124 0.331 1
1 206 . 11 1 1 A 23 23 TYR N N 23 117.835 117.013 0.822 1
1 207 . 11 1 1 A 24 24 TYR H H 24 8.856 8.026 0.830 1
1 208 . 11 1 1 A 24 24 TYR HA H 24 4.420 4.836 -0.416 1
1 215 . 11 1 1 A 24 24 TYR C C 24 175.484 177.120 -1.636 1
1 216 . 11 1 1 A 24 24 TYR CA C 24 61.291 61.740 -0.449 1
1 217 . 11 1 1 A 24 24 TYR CB C 24 38.629 38.676 -0.047 1
1 222 . 11 1 1 A 24 24 TYR N N 24 122.534 120.649 1.885 1
1 223 . 11 1 1 A 25 25 ALA H H 25 7.616 8.418 -0.802 1
1 224 . 11 1 1 A 25 25 ALA HA H 25 4.084 4.220 -0.136 1
1 228 . 11 1 1 A 25 25 ALA C C 25 179.224 180.105 -0.881 1
1 229 . 11 1 1 A 25 25 ALA CA C 25 53.893 55.456 -1.563 1
1 230 . 11 1 1 A 25 25 ALA CB C 25 18.433 18.770 -0.337 1
1 231 . 11 1 1 A 25 25 ALA N N 25 116.147 121.695 -5.548 1
1 232 . 11 1 1 A 26 26 MET H H 26 7.379 8.028 -0.649 1
1 233 . 11 1 1 A 26 26 MET HA H 26 4.353 4.528 -0.175 1
1 241 . 11 1 1 A 26 26 MET C C 26 176.529 176.714 -0.185 1
1 242 . 11 1 1 A 26 26 MET CA C 26 56.724 58.189 -1.465 1
1 243 . 11 1 1 A 26 26 MET CB C 26 33.645 33.457 0.188 1
1 246 . 11 1 1 A 26 26 MET N N 26 114.990 116.455 -1.465 1
1 247 . 11 1 1 A 27 27 ASN H H 27 7.865 8.039 -0.174 1
1 248 . 11 1 1 A 27 27 ASN HA H 27 4.562 5.010 -0.448 1
1 253 . 11 1 1 A 27 27 ASN C C 27 173.323 175.341 -2.018 1
1 254 . 11 1 1 A 27 27 ASN CA C 27 53.143 51.544 1.599 1
1 255 . 11 1 1 A 27 27 ASN CB C 27 38.096 39.553 -1.457 1
1 256 . 11 1 1 A 27 27 ASN N N 27 117.385 116.834 0.551 1
1 258 . 11 1 1 A 28 28 MET H H 28 8.400 8.654 -0.254 1
1 259 . 11 1 1 A 28 28 MET HA H 28 4.064 2.837 1.227 1
1 267 . 11 1 1 A 28 28 MET C C 28 175.557 175.804 -0.247 1
1 268 . 11 1 1 A 28 28 MET CA C 28 57.419 57.994 -0.575 1
1 269 . 11 1 1 A 28 28 MET CB C 28 33.795 32.301 1.494 1
1 272 . 11 1 1 A 28 28 MET N N 28 121.660 124.433 -2.773 1
1 273 . 11 1 1 A 29 29 GLU H H 29 7.821 8.085 -0.264 1
1 274 . 11 1 1 A 29 29 GLU HA H 29 4.757 4.551 0.206 1
1 279 . 11 1 1 A 29 29 GLU C C 29 172.328 173.906 -1.578 1
1 280 . 11 1 1 A 29 29 GLU CA C 29 53.293 52.996 0.297 1
1 281 . 11 1 1 A 29 29 GLU CB C 29 30.761 30.166 0.595 1
1 283 . 11 1 1 A 29 29 GLU N N 29 116.541 118.552 -2.011 1
1 284 . 11 1 1 A 30 30 PRO HA H 30 4.475 4.437 0.038 1
1 291 . 11 1 1 A 30 30 PRO C C 30 177.014 176.089 0.925 1
1 292 . 11 1 1 A 30 30 PRO CA C 30 62.603 62.137 0.466 1
1 293 . 11 1 1 A 30 30 PRO CB C 30 31.915 32.467 -0.552 1
1 296 . 11 1 1 A 31 31 ASN H H 31 8.909 8.274 0.635 1
1 297 . 11 1 1 A 31 31 ASN HA H 31 4.673 4.912 -0.239 1
1 302 . 11 1 1 A 31 31 ASN C C 31 175.460 176.184 -0.724 1
1 303 . 11 1 1 A 31 31 ASN CA C 31 51.303 51.463 -0.160 1
1 304 . 11 1 1 A 31 31 ASN CB C 31 38.261 40.477 -2.216 1
1 305 . 11 1 1 A 31 31 ASN N N 31 120.499 118.433 2.066 1
1 307 . 11 1 1 A 32 32 SER H H 32 8.486 8.946 -0.460 1
1 308 . 11 1 1 A 32 32 SER HA H 32 4.024 3.999 0.025 1
1 311 . 11 1 1 A 32 32 SER C C 32 176.650 176.552 0.098 1
1 312 . 11 1 1 A 32 32 SER CA C 32 62.621 62.089 0.532 1
1 313 . 11 1 1 A 32 32 SER CB C 32 62.675 62.866 -0.191 1
1 314 . 11 1 1 A 32 32 SER N N 32 112.460 116.615 -4.155 1
1 315 . 11 1 1 A 33 33 ASP H H 33 7.935 8.173 -0.238 1
1 316 . 11 1 1 A 33 33 ASP HA H 33 4.441 4.259 0.182 1
1 319 . 11 1 1 A 33 33 ASP C C 33 178.811 179.143 -0.332 1
1 320 . 11 1 1 A 33 33 ASP CA C 33 57.456 57.590 -0.134 1
1 321 . 11 1 1 A 33 33 ASP CB C 33 40.870 40.130 0.740 1
1 322 . 11 1 1 A 33 33 ASP N N 33 122.575 122.027 0.548 1
1 323 . 11 1 1 A 34 34 GLU H H 34 8.442 7.993 0.449 1
1 324 . 11 1 1 A 34 34 GLU HA H 34 3.898 3.928 -0.030 1
1 329 . 11 1 1 A 34 34 GLU C C 34 179.127 178.937 0.190 1
1 330 . 11 1 1 A 34 34 GLU CA C 34 59.041 59.108 -0.067 1
1 331 . 11 1 1 A 34 34 GLU CB C 34 29.854 29.440 0.414 1
1 333 . 11 1 1 A 34 34 GLU N N 34 121.743 119.492 2.251 1
1 334 . 11 1 1 A 35 35 LEU H H 35 8.723 8.196 0.527 1
1 335 . 11 1 1 A 35 35 LEU HA H 35 3.735 3.693 0.042 1
1 345 . 11 1 1 A 35 35 LEU C C 35 179.321 178.728 0.593 1
1 346 . 11 1 1 A 35 35 LEU CA C 35 58.118 57.847 0.271 1
1 347 . 11 1 1 A 35 35 LEU CB C 35 42.428 41.506 0.922 1
1 351 . 11 1 1 A 35 35 LEU N N 35 119.674 120.644 -0.970 1
1 352 . 11 1 1 A 36 36 LEU H H 36 7.651 8.009 -0.358 1
1 353 . 11 1 1 A 36 36 LEU HA H 36 4.039 3.910 0.129 1
1 363 . 11 1 1 A 36 36 LEU C C 36 178.908 178.468 0.440 1
1 364 . 11 1 1 A 36 36 LEU CA C 36 58.414 58.761 -0.347 1
1 365 . 11 1 1 A 36 36 LEU CB C 36 41.040 41.953 -0.913 1
1 369 . 11 1 1 A 36 36 LEU N N 36 121.058 119.889 1.169 1
1 370 . 11 1 1 A 37 37 LYS H H 37 7.704 7.565 0.139 1
1 371 . 11 1 1 A 37 37 LYS HA H 37 3.874 3.934 -0.060 1
1 379 . 11 1 1 A 37 37 LYS C C 37 180.025 179.219 0.806 1
1 380 . 11 1 1 A 37 37 LYS CA C 37 60.345 59.378 0.967 1
1 381 . 11 1 1 A 37 37 LYS CB C 37 32.327 32.468 -0.141 1
1 385 . 11 1 1 A 37 37 LYS N N 37 119.032 117.741 1.291 1
1 386 . 11 1 1 A 38 38 ILE H H 38 8.413 8.286 0.127 1
1 387 . 11 1 1 A 38 38 ILE HA H 38 3.296 3.432 -0.136 1
1 397 . 11 1 1 A 38 38 ILE C C 38 177.063 177.995 -0.932 1
1 398 . 11 1 1 A 38 38 ILE CA C 38 65.479 65.228 0.251 1
1 399 . 11 1 1 A 38 38 ILE CB C 38 38.384 37.708 0.676 1
1 403 . 11 1 1 A 38 38 ILE N N 38 120.466 121.349 -0.883 1
1 404 . 11 1 1 A 39 39 SER H H 39 8.183 8.140 0.043 1
1 405 . 11 1 1 A 39 39 SER HA H 39 4.047 4.366 -0.319 1
1 408 . 11 1 1 A 39 39 SER C C 39 176.359 177.262 -0.903 1
1 409 . 11 1 1 A 39 39 SER CA C 39 62.620 60.843 1.777 1
1 410 . 11 1 1 A 39 39 SER CB C 39 62.548 62.939 -0.391 1
1 411 . 11 1 1 A 39 39 SER N N 39 115.371 113.773 1.598 1
1 412 . 11 1 1 A 40 40 ILE H H 40 7.983 7.767 0.216 1
1 413 . 11 1 1 A 40 40 ILE HA H 40 3.785 3.797 -0.012 1
1 423 . 11 1 1 A 40 40 ILE C C 40 178.714 177.788 0.926 1
1 424 . 11 1 1 A 40 40 ILE CA C 40 64.307 65.154 -0.847 1
1 425 . 11 1 1 A 40 40 ILE CB C 40 38.440 38.039 0.401 1
1 429 . 11 1 1 A 40 40 ILE N N 40 121.913 123.158 -1.245 1
1 430 . 11 1 1 A 41 41 ALA H H 41 7.886 8.862 -0.976 1
1 431 . 11 1 1 A 41 41 ALA HA H 41 4.157 4.014 0.143 1
1 435 . 11 1 1 A 41 41 ALA C C 41 180.147 179.712 0.435 1
1 436 . 11 1 1 A 41 41 ALA CA C 41 55.268 55.442 -0.174 1
1 437 . 11 1 1 A 41 41 ALA CB C 41 18.646 18.662 -0.016 1
1 438 . 11 1 1 A 41 41 ALA N N 41 122.775 122.243 0.532 1
1 439 . 11 1 1 A 42 42 VAL H H 42 8.268 7.636 0.632 1
1 440 . 11 1 1 A 42 42 VAL HA H 42 4.352 4.112 0.240 1
1 448 . 11 1 1 A 42 42 VAL C C 42 175.849 177.100 -1.251 1
1 449 . 11 1 1 A 42 42 VAL CA C 42 61.352 63.575 -2.223 1
1 450 . 11 1 1 A 42 42 VAL CB C 42 32.632 33.269 -0.637 1
1 453 . 11 1 1 A 42 42 VAL N N 42 108.944 110.537 -1.593 1
1 454 . 11 1 1 A 43 43 GLY H H 43 7.837 8.016 -0.179 1
1 455 . 11 1 1 A 43 43 GLY HA2 H 43 3.937 3.996 -0.059 1
1 456 . 11 1 1 A 43 43 GLY HA3 H 43 3.852 4.015 -0.163 1
1 457 . 11 1 1 A 43 43 GLY C C 43 174.392 174.175 0.217 1
1 458 . 11 1 1 A 43 43 GLY CA C 43 46.770 44.848 1.922 1
1 459 . 11 1 1 A 43 43 GLY N N 43 110.644 111.868 -1.224 1
1 460 . 11 1 1 A 44 44 LEU H H 44 7.483 7.677 -0.194 1
1 461 . 11 1 1 A 44 44 LEU HA H 44 4.833 4.480 0.353 1
1 471 . 11 1 1 A 44 44 LEU C C 44 173.348 174.874 -1.526 1
1 472 . 11 1 1 A 44 44 LEU CA C 44 51.178 52.929 -1.751 1
1 473 . 11 1 1 A 44 44 LEU CB C 44 45.096 41.169 3.927 1
1 477 . 11 1 1 A 44 44 LEU N N 44 118.486 122.570 -4.084 1
1 478 . 11 1 1 A 45 45 PRO HA H 45 4.447 4.725 -0.278 1
1 485 . 11 1 1 A 45 45 PRO C C 45 178.301 177.884 0.417 1
1 486 . 11 1 1 A 45 45 PRO CA C 45 62.740 63.067 -0.327 1
1 487 . 11 1 1 A 45 45 PRO CB C 45 32.626 31.743 0.883 1
1 490 . 11 1 1 A 46 46 GLN H H 46 9.200 9.008 0.192 1
1 491 . 11 1 1 A 46 46 GLN HA H 46 4.007 3.998 0.009 1
1 498 . 11 1 1 A 46 46 GLN C C 46 177.718 177.823 -0.105 1
1 499 . 11 1 1 A 46 46 GLN CA C 46 60.099 59.235 0.864 1
1 500 . 11 1 1 A 46 46 GLN CB C 46 28.371 28.747 -0.376 1
1 502 . 11 1 1 A 46 46 GLN N N 46 125.692 124.525 1.167 1
1 504 . 11 1 1 A 47 47 GLU H H 47 9.618 8.586 1.032 1
1 505 . 11 1 1 A 47 47 GLU HA H 47 4.036 4.096 -0.060 1
1 510 . 11 1 1 A 47 47 GLU C C 47 178.860 179.047 -0.187 1
1 511 . 11 1 1 A 47 47 GLU CA C 47 60.029 59.512 0.517 1
1 512 . 11 1 1 A 47 47 GLU CB C 47 28.746 29.555 -0.809 1
1 514 . 11 1 1 A 47 47 GLU N N 47 117.907 118.474 -0.567 1
1 515 . 11 1 1 A 48 48 PHE H H 48 7.194 8.338 -1.144 1
1 516 . 11 1 1 A 48 48 PHE HA H 48 4.385 4.297 0.088 1
1 524 . 11 1 1 A 48 48 PHE C C 48 177.524 177.403 0.121 1
1 525 . 11 1 1 A 48 48 PHE CA C 48 60.699 61.260 -0.561 1
1 526 . 11 1 1 A 48 48 PHE CB C 48 39.190 39.154 0.036 1
1 532 . 11 1 1 A 48 48 PHE N N 48 119.141 121.201 -2.060 1
1 533 . 11 1 1 A 49 49 VAL H H 49 7.761 8.139 -0.378 1
1 534 . 11 1 1 A 49 49 VAL HA H 49 3.509 3.626 -0.117 1
1 542 . 11 1 1 A 49 49 VAL C C 49 177.306 178.092 -0.786 1
1 543 . 11 1 1 A 49 49 VAL CA C 49 67.242 66.917 0.325 1
1 544 . 11 1 1 A 49 49 VAL CB C 49 31.844 31.752 0.092 1
1 547 . 11 1 1 A 49 49 VAL N N 49 120.478 119.674 0.804 1
1 548 . 11 1 1 A 50 50 LYS H H 50 8.751 8.318 0.433 1
1 549 . 11 1 1 A 50 50 LYS HA H 50 4.023 4.034 -0.011 1
1 557 . 11 1 1 A 50 50 LYS C C 50 178.593 178.690 -0.097 1
1 558 . 11 1 1 A 50 50 LYS CA C 50 60.274 59.986 0.288 1
1 559 . 11 1 1 A 50 50 LYS CB C 50 32.821 32.574 0.247 1
1 563 . 11 1 1 A 50 50 LYS N N 50 119.513 120.104 -0.591 1
1 564 . 11 1 1 A 51 51 GLU H H 51 7.636 7.897 -0.261 1
1 565 . 11 1 1 A 51 51 GLU HA H 51 4.110 4.042 0.068 1
1 570 . 11 1 1 A 51 51 GLU C C 51 177.791 179.425 -1.634 1
1 571 . 11 1 1 A 51 51 GLU CA C 51 59.253 59.442 -0.189 1
1 572 . 11 1 1 A 51 51 GLU CB C 51 29.442 29.434 0.008 1
1 574 . 11 1 1 A 51 51 GLU N N 51 118.681 117.541 1.140 1
1 575 . 11 1 1 A 52 52 TRP H H 52 8.396 7.609 0.787 1
1 576 . 11 1 1 A 52 52 TRP HA H 52 3.794 4.261 -0.467 1
1 585 . 11 1 1 A 52 52 TRP C C 52 179.709 178.268 1.441 1
1 586 . 11 1 1 A 52 52 TRP CA C 52 62.688 60.844 1.844 1
1 587 . 11 1 1 A 52 52 TRP CB C 52 28.806 29.485 -0.679 1
1 593 . 11 1 1 A 52 52 TRP N N 52 121.740 122.276 -0.536 1
1 595 . 11 1 1 A 53 53 PHE H H 53 8.602 8.471 0.131 1
1 596 . 11 1 1 A 53 53 PHE HA H 53 3.899 4.488 -0.589 1
1 604 . 11 1 1 A 53 53 PHE C C 53 179.297 178.558 0.739 1
1 605 . 11 1 1 A 53 53 PHE CA C 53 63.414 61.051 2.363 1
1 606 . 11 1 1 A 53 53 PHE CB C 53 39.480 39.541 -0.061 1
1 612 . 11 1 1 A 53 53 PHE N N 53 117.648 117.193 0.455 1
1 613 . 11 1 1 A 54 54 GLU H H 54 8.372 8.807 -0.435 1
1 614 . 11 1 1 A 54 54 GLU HA H 54 4.070 3.986 0.084 1
1 619 . 11 1 1 A 54 54 GLU C C 54 179.540 179.263 0.277 1
1 620 . 11 1 1 A 54 54 GLU CA C 54 59.676 59.931 -0.255 1
1 621 . 11 1 1 A 54 54 GLU CB C 54 29.448 29.067 0.381 1
1 623 . 11 1 1 A 54 54 GLU N N 54 120.198 118.335 1.863 1
1 624 . 11 1 1 A 55 55 GLN H H 55 8.275 8.408 -0.133 1
1 625 . 11 1 1 A 55 55 GLN HA H 55 3.975 3.902 0.073 1
1 632 . 11 1 1 A 55 55 GLN C C 55 177.913 178.945 -1.032 1
1 633 . 11 1 1 A 55 55 GLN CA C 55 57.773 59.361 -1.588 1
1 634 . 11 1 1 A 55 55 GLN CB C 55 28.075 28.117 -0.042 1
1 636 . 11 1 1 A 55 55 GLN N N 55 117.674 119.164 -1.490 1
1 638 . 11 1 1 A 56 56 ARG H H 56 7.413 8.165 -0.752 1
1 639 . 11 1 1 A 56 56 ARG HA H 56 3.727 4.082 -0.355 1
1 646 . 11 1 1 A 56 56 ARG C C 56 177.670 179.254 -1.584 1
1 647 . 11 1 1 A 56 56 ARG CA C 56 57.278 59.993 -2.715 1
1 648 . 11 1 1 A 56 56 ARG CB C 56 29.564 29.945 -0.381 1
1 651 . 11 1 1 A 56 56 ARG N N 56 119.111 119.847 -0.736 1
1 652 . 11 1 1 A 57 57 LYS H H 57 7.468 7.945 -0.477 1
1 653 . 11 1 1 A 57 57 LYS HA H 57 4.215 4.215 0.000 1
1 662 . 11 1 1 A 57 57 LYS C C 57 177.937 179.187 -1.250 1
1 663 . 11 1 1 A 57 57 LYS CA C 57 58.454 59.423 -0.969 1
1 664 . 11 1 1 A 57 57 LYS CB C 57 32.656 32.520 0.136 1
1 668 . 11 1 1 A 57 57 LYS N N 57 118.984 119.861 -0.877 1
1 669 . 11 1 1 A 58 58 VAL H H 58 7.564 7.768 -0.204 1
1 670 . 11 1 1 A 58 58 VAL HA H 58 3.866 3.593 0.273 1
1 678 . 11 1 1 A 58 58 VAL C C 58 177.306 176.964 0.342 1
1 679 . 11 1 1 A 58 58 VAL CA C 58 64.013 66.159 -2.146 1
1 680 . 11 1 1 A 58 58 VAL CB C 58 32.128 31.325 0.803 1
1 683 . 11 1 1 A 58 58 VAL N N 58 118.037 120.369 -2.332 1
1 684 . 11 1 1 A 59 59 TYR H H 59 7.871 6.880 0.991 1
1 685 . 11 1 1 A 59 59 TYR HA H 59 4.381 4.591 -0.210 1
1 692 . 11 1 1 A 59 59 TYR C C 59 176.577 178.697 -2.120 1
1 693 . 11 1 1 A 59 59 TYR CA C 59 59.112 61.143 -2.031 1
1 694 . 11 1 1 A 59 59 TYR CB C 59 38.382 38.365 0.017 1
1 699 . 11 1 1 A 59 59 TYR N N 59 121.466 118.178 3.288 1
1 700 . 11 1 1 A 60 60 GLN H H 60 8.074 8.581 -0.507 1
1 701 . 11 1 1 A 60 60 GLN HA H 60 4.103 4.023 0.080 1
1 708 . 11 1 1 A 60 60 GLN C C 60 176.334 177.671 -1.337 1
1 709 . 11 1 1 A 60 60 GLN CA C 60 56.820 58.752 -1.932 1
1 710 . 11 1 1 A 60 60 GLN CB C 60 29.003 28.318 0.685 1
1 712 . 11 1 1 A 60 60 GLN N N 60 120.517 118.779 1.738 1
1 714 . 11 1 1 A 61 61 TYR H H 61 8.001 8.139 -0.138 1
1 715 . 11 1 1 A 61 61 TYR HA H 61 4.544 4.486 0.058 1
1 722 . 11 1 1 A 61 61 TYR C C 61 176.456 175.926 0.530 1
1 723 . 11 1 1 A 61 61 TYR CA C 61 58.442 59.464 -1.022 1
1 724 . 11 1 1 A 61 61 TYR CB C 61 38.408 39.640 -1.232 1
1 729 . 11 1 1 A 61 61 TYR N N 61 119.641 116.527 3.114 1
1 730 . 11 1 1 A 62 62 SER H H 62 8.071 7.999 0.072 1
1 731 . 11 1 1 A 62 62 SER HA H 62 4.371 4.471 -0.100 1
1 734 . 11 1 1 A 62 62 SER C C 62 174.440 174.025 0.415 1
1 735 . 11 1 1 A 62 62 SER CA C 62 58.830 57.112 1.718 1
1 736 . 11 1 1 A 62 62 SER CB C 62 63.806 63.253 0.553 1
1 737 . 11 1 1 A 62 62 SER N N 62 116.272 113.841 2.431 1
1 738 . 11 1 1 A 63 63 ASN HA H 63 4.737 4.619 0.118 1
1 743 . 11 1 1 A 63 63 ASN CA C 63 50.823 55.330 -4.507 1
1 744 . 11 1 1 A 63 63 ASN CB C 63 38.920 39.124 -0.204 1
1 746 . 11 1 1 A 64 64 SER HA H 64 4.407 4.220 0.187 1
1 749 . 11 1 1 A 64 64 SER C C 64 174.610 175.189 -0.579 1
1 750 . 11 1 1 A 64 64 SER CA C 64 58.794 62.078 -3.284 1
1 751 . 11 1 1 A 64 64 SER CB C 64 63.727 62.987 0.740 1
1 752 . 11 1 1 A 65 65 ARG H H 65 8.263 7.827 0.436 1
1 753 . 11 1 1 A 65 65 ARG HA H 65 4.405 4.631 -0.226 1
1 760 . 11 1 1 A 65 65 ARG C C 65 176.310 175.755 0.555 1
1 761 . 11 1 1 A 65 65 ARG CA C 65 56.185 55.162 1.023 1
1 762 . 11 1 1 A 65 65 ARG CB C 65 30.643 31.463 -0.820 1
1 765 . 11 1 1 A 65 65 ARG N N 65 122.520 118.630 3.890 1
1 766 . 11 1 1 A 66 66 SER H H 66 8.253 9.027 -0.774 1
1 767 . 11 1 1 A 66 66 SER HA H 66 4.507 4.341 0.166 1
1 770 . 11 1 1 A 66 66 SER C C 66 174.489 174.601 -0.112 1
1 771 . 11 1 1 A 66 66 SER CA C 66 58.320 60.611 -2.291 1
1 772 . 11 1 1 A 66 66 SER CB C 66 63.974 63.407 0.567 1
1 773 . 11 1 1 A 66 66 SER N N 66 116.498 118.890 -2.392 1
1 774 . 11 1 1 A 67 67 GLY H H 67 8.201 7.635 0.566 1
1 775 . 11 1 1 A 67 67 GLY HA2 H 67 4.113 4.046 0.067 1
1 776 . 11 1 1 A 67 67 GLY C C 67 171.769 172.876 -1.107 1
1 777 . 11 1 1 A 67 67 GLY CA C 67 44.689 45.184 -0.495 1
1 778 . 11 1 1 A 67 67 GLY N N 67 110.648 107.648 3.000 1
1 781 . 11 1 1 A 69 69 SER HA H 69 4.481 4.271 0.210 1
1 784 . 11 1 1 A 69 69 SER C C 69 174.659 174.335 0.324 1
1 785 . 11 1 1 A 69 69 SER CA C 69 58.371 61.265 -2.894 1
1 786 . 11 1 1 A 69 69 SER CB C 69 63.645 63.259 0.386 1
1 787 . 11 1 1 A 70 70 SER H H 70 8.303 8.120 0.183 1
1 788 . 11 1 1 A 70 70 SER HA H 70 4.473 4.579 -0.106 1
1 791 . 11 1 1 A 70 70 SER C C 70 173.930 174.903 -0.973 1
1 792 . 11 1 1 A 70 70 SER CA C 70 58.406 58.020 0.386 1
1 793 . 11 1 1 A 70 70 SER CB C 70 64.057 64.588 -0.531 1
1 794 . 11 1 1 A 70 70 SER N N 70 117.757 115.146 2.611 1
1 1 . 12 1 1 A 7 7 GLY HA2 H 7 3.980 3.985 -0.005 1
1 2 . 12 1 1 A 7 7 GLY HA3 H 7 3.980 3.986 -0.006 1
1 3 . 12 1 1 A 7 7 GLY C C 7 173.809 173.389 0.420 1
1 4 . 12 1 1 A 7 7 GLY CA C 7 45.148 44.823 0.325 1
1 5 . 12 1 1 A 8 8 SER H H 8 8.167 8.372 -0.205 1
1 6 . 12 1 1 A 8 8 SER C C 8 172.741 173.190 -0.449 1
1 7 . 12 1 1 A 8 8 SER CA C 8 56.432 56.460 -0.028 1
1 8 . 12 1 1 A 8 8 SER CB C 8 63.397 63.506 -0.109 1
1 9 . 12 1 1 A 8 8 SER N N 8 116.986 116.601 0.385 1
1 10 . 12 1 1 A 9 9 PRO HA H 9 4.471 4.724 -0.253 1
1 17 . 12 1 1 A 9 9 PRO C C 9 176.771 176.466 0.305 1
1 18 . 12 1 1 A 9 9 PRO CA C 9 63.244 62.728 0.516 1
1 19 . 12 1 1 A 9 9 PRO CB C 9 32.121 31.770 0.351 1
1 22 . 12 1 1 A 10 10 ILE H H 10 8.173 8.460 -0.287 1
1 23 . 12 1 1 A 10 10 ILE HA H 10 4.084 4.463 -0.379 1
1 33 . 12 1 1 A 10 10 ILE C C 10 175.703 175.150 0.553 1
1 34 . 12 1 1 A 10 10 ILE CA C 10 61.051 61.040 0.011 1
1 35 . 12 1 1 A 10 10 ILE CB C 10 38.806 38.806 0.000 1
1 39 . 12 1 1 A 10 10 ILE N N 10 120.782 124.166 -3.384 1
1 40 . 12 1 1 A 11 11 ASN H H 11 8.538 8.466 0.072 1
1 41 . 12 1 1 A 11 11 ASN HA H 11 4.992 5.157 -0.165 1
1 46 . 12 1 1 A 11 11 ASN C C 11 173.785 174.566 -0.781 1
1 47 . 12 1 1 A 11 11 ASN CA C 11 50.794 49.328 1.466 1
1 48 . 12 1 1 A 11 11 ASN CB C 11 39.063 42.009 -2.946 1
1 49 . 12 1 1 A 11 11 ASN N N 11 123.456 124.297 -0.841 1
1 51 . 12 1 1 A 12 12 PRO HA H 12 4.328 4.325 0.003 1
1 58 . 12 1 1 A 12 12 PRO C C 12 176.674 178.234 -1.560 1
1 59 . 12 1 1 A 12 12 PRO CA C 12 63.616 65.109 -1.493 1
1 60 . 12 1 1 A 12 12 PRO CB C 12 31.997 31.983 0.014 1
1 63 . 12 1 1 A 13 13 TYR H H 13 7.994 7.928 0.066 1
1 64 . 12 1 1 A 13 13 TYR HA H 13 4.574 4.521 0.053 1
1 71 . 12 1 1 A 13 13 TYR C C 13 176.237 177.539 -1.302 1
1 72 . 12 1 1 A 13 13 TYR CA C 13 57.866 60.434 -2.568 1
1 73 . 12 1 1 A 13 13 TYR CB C 13 38.013 38.519 -0.506 1
1 78 . 12 1 1 A 13 13 TYR N N 13 118.352 116.100 2.252 1
1 79 . 12 1 1 A 14 14 LYS H H 14 7.727 6.634 1.093 1
1 80 . 12 1 1 A 14 14 LYS HA H 14 4.131 3.909 0.222 1
1 88 . 12 1 1 A 14 14 LYS C C 14 176.626 178.532 -1.906 1
1 89 . 12 1 1 A 14 14 LYS CA C 14 57.704 59.529 -1.825 1
1 90 . 12 1 1 A 14 14 LYS CB C 14 33.154 31.956 1.198 1
1 94 . 12 1 1 A 14 14 LYS N N 14 121.585 121.459 0.126 1
1 95 . 12 1 1 A 15 15 ASP H H 15 8.374 8.073 0.301 1
1 96 . 12 1 1 A 15 15 ASP HA H 15 4.620 4.218 0.402 1
1 99 . 12 1 1 A 15 15 ASP C C 15 174.125 178.817 -4.692 1
1 100 . 12 1 1 A 15 15 ASP CA C 15 54.763 57.382 -2.619 1
1 101 . 12 1 1 A 15 15 ASP CB C 15 40.533 40.483 0.050 1
1 102 . 12 1 1 A 15 15 ASP N N 15 119.870 119.752 0.118 1
1 103 . 12 1 1 A 16 16 HIS H H 16 8.034 8.634 -0.600 1
1 104 . 12 1 1 A 16 16 HIS HA H 16 4.419 4.322 0.097 1
1 109 . 12 1 1 A 16 16 HIS CA C 16 58.742 59.011 -0.269 1
1 110 . 12 1 1 A 16 16 HIS CB C 16 30.675 29.646 1.029 1
1 113 . 12 1 1 A 16 16 HIS N N 16 124.264 118.166 6.098 1
1 114 . 12 1 1 A 17 17 MET H H 17 8.049 8.079 -0.030 1
1 115 . 12 1 1 A 17 17 MET HA H 17 4.160 4.011 0.149 1
1 123 . 12 1 1 A 17 17 MET CA C 17 57.275 57.881 -0.606 1
1 124 . 12 1 1 A 17 17 MET CB C 17 31.055 32.667 -1.612 1
1 127 . 12 1 1 A 17 17 MET N N 17 117.829 117.916 -0.087 1
1 128 . 12 1 1 A 18 18 SER HA H 18 4.134 4.110 0.024 1
1 131 . 12 1 1 A 18 18 SER C C 18 176.941 175.925 1.016 1
1 132 . 12 1 1 A 18 18 SER CA C 18 61.889 62.231 -0.342 1
1 133 . 12 1 1 A 18 18 SER CB C 18 62.424 62.862 -0.438 1
1 134 . 12 1 1 A 19 19 VAL H H 19 7.568 8.018 -0.450 1
1 135 . 12 1 1 A 19 19 VAL HA H 19 3.809 3.564 0.245 1
1 143 . 12 1 1 A 19 19 VAL C C 19 177.913 177.653 0.260 1
1 144 . 12 1 1 A 19 19 VAL CA C 19 65.637 65.460 0.177 1
1 145 . 12 1 1 A 19 19 VAL CB C 19 31.737 31.657 0.080 1
1 148 . 12 1 1 A 19 19 VAL N N 19 122.341 120.371 1.970 1
1 149 . 12 1 1 A 20 20 LEU H H 20 7.788 7.656 0.132 1
1 150 . 12 1 1 A 20 20 LEU HA H 20 3.940 4.127 -0.187 1
1 160 . 12 1 1 A 20 20 LEU C C 20 178.520 179.864 -1.344 1
1 161 . 12 1 1 A 20 20 LEU CA C 20 58.336 58.192 0.144 1
1 162 . 12 1 1 A 20 20 LEU CB C 20 39.138 41.059 -1.921 1
1 166 . 12 1 1 A 20 20 LEU N N 20 120.156 121.569 -1.413 1
1 167 . 12 1 1 A 21 21 LYS H H 21 8.067 7.999 0.068 1
1 168 . 12 1 1 A 21 21 LYS HA H 21 4.047 4.428 -0.381 1
1 175 . 12 1 1 A 21 21 LYS C C 21 179.102 179.566 -0.464 1
1 176 . 12 1 1 A 21 21 LYS CA C 21 60.667 59.666 1.001 1
1 177 . 12 1 1 A 21 21 LYS CB C 21 32.519 32.288 0.231 1
1 181 . 12 1 1 A 21 21 LYS N N 21 117.374 118.231 -0.857 1
1 182 . 12 1 1 A 22 22 ALA H H 22 7.718 7.929 -0.211 1
1 183 . 12 1 1 A 22 22 ALA HA H 22 4.217 4.112 0.105 1
1 187 . 12 1 1 A 22 22 ALA C C 22 180.486 179.200 1.286 1
1 188 . 12 1 1 A 22 22 ALA CA C 22 54.954 54.774 0.180 1
1 189 . 12 1 1 A 22 22 ALA CB C 22 17.934 18.238 -0.304 1
1 190 . 12 1 1 A 22 22 ALA N N 22 122.528 122.124 0.404 1
1 191 . 12 1 1 A 23 23 TYR H H 23 8.036 7.545 0.491 1
1 192 . 12 1 1 A 23 23 TYR HA H 23 4.291 4.428 -0.137 1
1 199 . 12 1 1 A 23 23 TYR C C 23 178.860 178.509 0.351 1
1 200 . 12 1 1 A 23 23 TYR CA C 23 62.616 61.797 0.819 1
1 201 . 12 1 1 A 23 23 TYR CB C 23 38.455 38.082 0.373 1
1 206 . 12 1 1 A 23 23 TYR N N 23 117.835 116.143 1.692 1
1 207 . 12 1 1 A 24 24 TYR H H 24 8.856 8.252 0.604 1
1 208 . 12 1 1 A 24 24 TYR HA H 24 4.420 4.938 -0.518 1
1 215 . 12 1 1 A 24 24 TYR C C 24 175.484 177.041 -1.557 1
1 216 . 12 1 1 A 24 24 TYR CA C 24 61.291 62.101 -0.810 1
1 217 . 12 1 1 A 24 24 TYR CB C 24 38.629 38.724 -0.095 1
1 222 . 12 1 1 A 24 24 TYR N N 24 122.534 120.676 1.858 1
1 223 . 12 1 1 A 25 25 ALA H H 25 7.616 8.513 -0.897 1
1 224 . 12 1 1 A 25 25 ALA HA H 25 4.084 4.187 -0.103 1
1 228 . 12 1 1 A 25 25 ALA C C 25 179.224 180.143 -0.919 1
1 229 . 12 1 1 A 25 25 ALA CA C 25 53.893 55.308 -1.415 1
1 230 . 12 1 1 A 25 25 ALA CB C 25 18.433 18.688 -0.255 1
1 231 . 12 1 1 A 25 25 ALA N N 25 116.147 121.693 -5.546 1
1 232 . 12 1 1 A 26 26 MET H H 26 7.379 7.951 -0.572 1
1 233 . 12 1 1 A 26 26 MET HA H 26 4.353 4.246 0.107 1
1 241 . 12 1 1 A 26 26 MET C C 26 176.529 176.592 -0.063 1
1 242 . 12 1 1 A 26 26 MET CA C 26 56.724 58.442 -1.718 1
1 243 . 12 1 1 A 26 26 MET CB C 26 33.645 33.173 0.472 1
1 246 . 12 1 1 A 26 26 MET N N 26 114.990 117.298 -2.308 1
1 247 . 12 1 1 A 27 27 ASN H H 27 7.865 8.086 -0.221 1
1 248 . 12 1 1 A 27 27 ASN HA H 27 4.562 5.041 -0.479 1
1 253 . 12 1 1 A 27 27 ASN C C 27 173.323 175.655 -2.332 1
1 254 . 12 1 1 A 27 27 ASN CA C 27 53.143 51.672 1.471 1
1 255 . 12 1 1 A 27 27 ASN CB C 27 38.096 40.275 -2.179 1
1 256 . 12 1 1 A 27 27 ASN N N 27 117.385 116.657 0.728 1
1 258 . 12 1 1 A 28 28 MET H H 28 8.400 8.533 -0.133 1
1 259 . 12 1 1 A 28 28 MET HA H 28 4.064 4.116 -0.052 1
1 267 . 12 1 1 A 28 28 MET C C 28 175.557 176.252 -0.695 1
1 268 . 12 1 1 A 28 28 MET CA C 28 57.419 58.323 -0.904 1
1 269 . 12 1 1 A 28 28 MET CB C 28 33.795 32.929 0.866 1
1 272 . 12 1 1 A 28 28 MET N N 28 121.660 123.755 -2.095 1
1 273 . 12 1 1 A 29 29 GLU H H 29 7.821 8.160 -0.339 1
1 274 . 12 1 1 A 29 29 GLU HA H 29 4.757 4.462 0.295 1
1 279 . 12 1 1 A 29 29 GLU C C 29 172.328 173.275 -0.947 1
1 280 . 12 1 1 A 29 29 GLU CA C 29 53.293 53.043 0.250 1
1 281 . 12 1 1 A 29 29 GLU CB C 29 30.761 30.199 0.562 1
1 283 . 12 1 1 A 29 29 GLU N N 29 116.541 118.938 -2.397 1
1 284 . 12 1 1 A 30 30 PRO HA H 30 4.475 4.462 0.013 1
1 291 . 12 1 1 A 30 30 PRO C C 30 177.014 176.307 0.707 1
1 292 . 12 1 1 A 30 30 PRO CA C 30 62.603 62.453 0.150 1
1 293 . 12 1 1 A 30 30 PRO CB C 30 31.915 32.199 -0.284 1
1 296 . 12 1 1 A 31 31 ASN H H 31 8.909 8.279 0.630 1
1 297 . 12 1 1 A 31 31 ASN HA H 31 4.673 4.885 -0.212 1
1 302 . 12 1 1 A 31 31 ASN C C 31 175.460 175.600 -0.140 1
1 303 . 12 1 1 A 31 31 ASN CA C 31 51.303 51.306 -0.003 1
1 304 . 12 1 1 A 31 31 ASN CB C 31 38.261 39.631 -1.370 1
1 305 . 12 1 1 A 31 31 ASN N N 31 120.499 119.773 0.726 1
1 307 . 12 1 1 A 32 32 SER H H 32 8.486 9.020 -0.534 1
1 308 . 12 1 1 A 32 32 SER HA H 32 4.024 4.038 -0.014 1
1 311 . 12 1 1 A 32 32 SER C C 32 176.650 176.238 0.412 1
1 312 . 12 1 1 A 32 32 SER CA C 32 62.621 61.599 1.022 1
1 313 . 12 1 1 A 32 32 SER CB C 32 62.675 63.051 -0.376 1
1 314 . 12 1 1 A 32 32 SER N N 32 112.460 116.371 -3.911 1
1 315 . 12 1 1 A 33 33 ASP H H 33 7.935 8.197 -0.262 1
1 316 . 12 1 1 A 33 33 ASP HA H 33 4.441 4.279 0.162 1
1 319 . 12 1 1 A 33 33 ASP C C 33 178.811 179.052 -0.241 1
1 320 . 12 1 1 A 33 33 ASP CA C 33 57.456 57.573 -0.117 1
1 321 . 12 1 1 A 33 33 ASP CB C 33 40.870 40.203 0.667 1
1 322 . 12 1 1 A 33 33 ASP N N 33 122.575 122.104 0.471 1
1 323 . 12 1 1 A 34 34 GLU H H 34 8.442 7.906 0.536 1
1 324 . 12 1 1 A 34 34 GLU HA H 34 3.898 3.959 -0.061 1
1 329 . 12 1 1 A 34 34 GLU C C 34 179.127 178.978 0.149 1
1 330 . 12 1 1 A 34 34 GLU CA C 34 59.041 59.230 -0.189 1
1 331 . 12 1 1 A 34 34 GLU CB C 34 29.854 29.402 0.452 1
1 333 . 12 1 1 A 34 34 GLU N N 34 121.743 119.321 2.422 1
1 334 . 12 1 1 A 35 35 LEU H H 35 8.723 8.428 0.295 1
1 335 . 12 1 1 A 35 35 LEU HA H 35 3.735 3.752 -0.017 1
1 345 . 12 1 1 A 35 35 LEU C C 35 179.321 178.863 0.458 1
1 346 . 12 1 1 A 35 35 LEU CA C 35 58.118 58.002 0.116 1
1 347 . 12 1 1 A 35 35 LEU CB C 35 42.428 41.570 0.858 1
1 351 . 12 1 1 A 35 35 LEU N N 35 119.674 120.816 -1.142 1
1 352 . 12 1 1 A 36 36 LEU H H 36 7.651 8.255 -0.604 1
1 353 . 12 1 1 A 36 36 LEU HA H 36 4.039 3.927 0.112 1
1 363 . 12 1 1 A 36 36 LEU C C 36 178.908 178.494 0.414 1
1 364 . 12 1 1 A 36 36 LEU CA C 36 58.414 58.659 -0.245 1
1 365 . 12 1 1 A 36 36 LEU CB C 36 41.040 41.938 -0.898 1
1 369 . 12 1 1 A 36 36 LEU N N 36 121.058 119.909 1.149 1
1 370 . 12 1 1 A 37 37 LYS H H 37 7.704 7.724 -0.020 1
1 371 . 12 1 1 A 37 37 LYS HA H 37 3.874 3.965 -0.091 1
1 379 . 12 1 1 A 37 37 LYS C C 37 180.025 179.047 0.978 1
1 380 . 12 1 1 A 37 37 LYS CA C 37 60.345 59.409 0.936 1
1 381 . 12 1 1 A 37 37 LYS CB C 37 32.327 32.545 -0.218 1
1 385 . 12 1 1 A 37 37 LYS N N 37 119.032 118.012 1.020 1
1 386 . 12 1 1 A 38 38 ILE H H 38 8.413 8.374 0.039 1
1 387 . 12 1 1 A 38 38 ILE HA H 38 3.296 3.164 0.132 1
1 397 . 12 1 1 A 38 38 ILE C C 38 177.063 177.912 -0.849 1
1 398 . 12 1 1 A 38 38 ILE CA C 38 65.479 65.157 0.322 1
1 399 . 12 1 1 A 38 38 ILE CB C 38 38.384 37.496 0.888 1
1 403 . 12 1 1 A 38 38 ILE N N 38 120.466 120.996 -0.530 1
1 404 . 12 1 1 A 39 39 SER H H 39 8.183 8.105 0.078 1
1 405 . 12 1 1 A 39 39 SER HA H 39 4.047 4.334 -0.287 1
1 408 . 12 1 1 A 39 39 SER C C 39 176.359 177.454 -1.095 1
1 409 . 12 1 1 A 39 39 SER CA C 39 62.620 60.884 1.736 1
1 410 . 12 1 1 A 39 39 SER CB C 39 62.548 62.829 -0.281 1
1 411 . 12 1 1 A 39 39 SER N N 39 115.371 113.932 1.439 1
1 412 . 12 1 1 A 40 40 ILE H H 40 7.983 7.635 0.348 1
1 413 . 12 1 1 A 40 40 ILE HA H 40 3.785 3.739 0.046 1
1 423 . 12 1 1 A 40 40 ILE C C 40 178.714 177.923 0.791 1
1 424 . 12 1 1 A 40 40 ILE CA C 40 64.307 65.160 -0.853 1
1 425 . 12 1 1 A 40 40 ILE CB C 40 38.440 37.801 0.639 1
1 429 . 12 1 1 A 40 40 ILE N N 40 121.913 123.389 -1.476 1
1 430 . 12 1 1 A 41 41 ALA H H 41 7.886 8.844 -0.958 1
1 431 . 12 1 1 A 41 41 ALA HA H 41 4.157 4.008 0.149 1
1 435 . 12 1 1 A 41 41 ALA C C 41 180.147 179.695 0.452 1
1 436 . 12 1 1 A 41 41 ALA CA C 41 55.268 55.429 -0.161 1
1 437 . 12 1 1 A 41 41 ALA CB C 41 18.646 18.697 -0.051 1
1 438 . 12 1 1 A 41 41 ALA N N 41 122.775 122.113 0.662 1
1 439 . 12 1 1 A 42 42 VAL H H 42 8.268 7.625 0.643 1
1 440 . 12 1 1 A 42 42 VAL HA H 42 4.352 4.055 0.297 1
1 448 . 12 1 1 A 42 42 VAL C C 42 175.849 177.127 -1.278 1
1 449 . 12 1 1 A 42 42 VAL CA C 42 61.352 63.508 -2.156 1
1 450 . 12 1 1 A 42 42 VAL CB C 42 32.632 33.175 -0.543 1
1 453 . 12 1 1 A 42 42 VAL N N 42 108.944 110.512 -1.568 1
1 454 . 12 1 1 A 43 43 GLY H H 43 7.837 8.018 -0.181 1
1 455 . 12 1 1 A 43 43 GLY HA2 H 43 3.937 3.962 -0.025 1
1 456 . 12 1 1 A 43 43 GLY HA3 H 43 3.852 3.972 -0.120 1
1 457 . 12 1 1 A 43 43 GLY C C 43 174.392 174.166 0.226 1
1 458 . 12 1 1 A 43 43 GLY CA C 43 46.770 44.941 1.829 1
1 459 . 12 1 1 A 43 43 GLY N N 43 110.644 112.080 -1.436 1
1 460 . 12 1 1 A 44 44 LEU H H 44 7.483 7.442 0.041 1
1 461 . 12 1 1 A 44 44 LEU HA H 44 4.833 4.529 0.304 1
1 471 . 12 1 1 A 44 44 LEU C C 44 173.348 174.827 -1.479 1
1 472 . 12 1 1 A 44 44 LEU CA C 44 51.178 52.748 -1.570 1
1 473 . 12 1 1 A 44 44 LEU CB C 44 45.096 41.106 3.990 1
1 477 . 12 1 1 A 44 44 LEU N N 44 118.486 122.311 -3.825 1
1 478 . 12 1 1 A 45 45 PRO HA H 45 4.447 4.694 -0.247 1
1 485 . 12 1 1 A 45 45 PRO C C 45 178.301 177.869 0.432 1
1 486 . 12 1 1 A 45 45 PRO CA C 45 62.740 63.032 -0.292 1
1 487 . 12 1 1 A 45 45 PRO CB C 45 32.626 31.723 0.903 1
1 490 . 12 1 1 A 46 46 GLN H H 46 9.200 8.969 0.231 1
1 491 . 12 1 1 A 46 46 GLN HA H 46 4.007 4.030 -0.023 1
1 498 . 12 1 1 A 46 46 GLN C C 46 177.718 177.869 -0.151 1
1 499 . 12 1 1 A 46 46 GLN CA C 46 60.099 59.279 0.820 1
1 500 . 12 1 1 A 46 46 GLN CB C 46 28.371 28.687 -0.316 1
1 502 . 12 1 1 A 46 46 GLN N N 46 125.692 124.763 0.929 1
1 504 . 12 1 1 A 47 47 GLU H H 47 9.618 8.653 0.965 1
1 505 . 12 1 1 A 47 47 GLU HA H 47 4.036 4.095 -0.059 1
1 510 . 12 1 1 A 47 47 GLU C C 47 178.860 178.967 -0.107 1
1 511 . 12 1 1 A 47 47 GLU CA C 47 60.029 59.523 0.506 1
1 512 . 12 1 1 A 47 47 GLU CB C 47 28.746 29.673 -0.927 1
1 514 . 12 1 1 A 47 47 GLU N N 47 117.907 118.867 -0.960 1
1 515 . 12 1 1 A 48 48 PHE H H 48 7.194 8.291 -1.097 1
1 516 . 12 1 1 A 48 48 PHE HA H 48 4.385 4.303 0.082 1
1 524 . 12 1 1 A 48 48 PHE C C 48 177.524 177.424 0.100 1
1 525 . 12 1 1 A 48 48 PHE CA C 48 60.699 61.293 -0.594 1
1 526 . 12 1 1 A 48 48 PHE CB C 48 39.190 39.155 0.035 1
1 532 . 12 1 1 A 48 48 PHE N N 48 119.141 121.073 -1.932 1
1 533 . 12 1 1 A 49 49 VAL H H 49 7.761 8.312 -0.551 1
1 534 . 12 1 1 A 49 49 VAL HA H 49 3.509 4.033 -0.524 1
1 542 . 12 1 1 A 49 49 VAL C C 49 177.306 178.478 -1.172 1
1 543 . 12 1 1 A 49 49 VAL CA C 49 67.242 67.076 0.166 1
1 544 . 12 1 1 A 49 49 VAL CB C 49 31.844 31.849 -0.005 1
1 547 . 12 1 1 A 49 49 VAL N N 49 120.478 119.738 0.740 1
1 548 . 12 1 1 A 50 50 LYS H H 50 8.751 8.309 0.442 1
1 549 . 12 1 1 A 50 50 LYS HA H 50 4.023 4.074 -0.051 1
1 557 . 12 1 1 A 50 50 LYS C C 50 178.593 179.099 -0.506 1
1 558 . 12 1 1 A 50 50 LYS CA C 50 60.274 59.871 0.403 1
1 559 . 12 1 1 A 50 50 LYS CB C 50 32.821 32.691 0.130 1
1 563 . 12 1 1 A 50 50 LYS N N 50 119.513 120.191 -0.678 1
1 564 . 12 1 1 A 51 51 GLU H H 51 7.636 7.771 -0.135 1
1 565 . 12 1 1 A 51 51 GLU HA H 51 4.110 4.048 0.062 1
1 570 . 12 1 1 A 51 51 GLU C C 51 177.791 179.006 -1.215 1
1 571 . 12 1 1 A 51 51 GLU CA C 51 59.253 59.445 -0.192 1
1 572 . 12 1 1 A 51 51 GLU CB C 51 29.442 29.447 -0.005 1
1 574 . 12 1 1 A 51 51 GLU N N 51 118.681 117.495 1.186 1
1 575 . 12 1 1 A 52 52 TRP H H 52 8.396 7.950 0.446 1
1 576 . 12 1 1 A 52 52 TRP HA H 52 3.794 4.364 -0.570 1
1 585 . 12 1 1 A 52 52 TRP C C 52 179.709 178.489 1.220 1
1 586 . 12 1 1 A 52 52 TRP CA C 52 62.688 60.789 1.899 1
1 587 . 12 1 1 A 52 52 TRP CB C 52 28.806 29.801 -0.995 1
1 593 . 12 1 1 A 52 52 TRP N N 52 121.740 121.766 -0.026 1
1 595 . 12 1 1 A 53 53 PHE H H 53 8.602 8.391 0.211 1
1 596 . 12 1 1 A 53 53 PHE HA H 53 3.899 4.106 -0.207 1
1 604 . 12 1 1 A 53 53 PHE C C 53 179.297 178.292 1.005 1
1 605 . 12 1 1 A 53 53 PHE CA C 53 63.414 62.313 1.101 1
1 606 . 12 1 1 A 53 53 PHE CB C 53 39.480 38.717 0.763 1
1 612 . 12 1 1 A 53 53 PHE N N 53 117.648 117.684 -0.036 1
1 613 . 12 1 1 A 54 54 GLU H H 54 8.372 8.283 0.089 1
1 614 . 12 1 1 A 54 54 GLU HA H 54 4.070 3.949 0.121 1
1 619 . 12 1 1 A 54 54 GLU C C 54 179.540 179.177 0.363 1
1 620 . 12 1 1 A 54 54 GLU CA C 54 59.676 60.092 -0.416 1
1 621 . 12 1 1 A 54 54 GLU CB C 54 29.448 29.306 0.142 1
1 623 . 12 1 1 A 54 54 GLU N N 54 120.198 118.912 1.286 1
1 624 . 12 1 1 A 55 55 GLN H H 55 8.275 8.026 0.249 1
1 625 . 12 1 1 A 55 55 GLN HA H 55 3.975 3.826 0.149 1
1 632 . 12 1 1 A 55 55 GLN C C 55 177.913 178.911 -0.998 1
1 633 . 12 1 1 A 55 55 GLN CA C 55 57.773 59.271 -1.498 1
1 634 . 12 1 1 A 55 55 GLN CB C 55 28.075 28.096 -0.021 1
1 636 . 12 1 1 A 55 55 GLN N N 55 117.674 118.987 -1.313 1
1 638 . 12 1 1 A 56 56 ARG H H 56 7.413 8.016 -0.603 1
1 639 . 12 1 1 A 56 56 ARG HA H 56 3.727 4.011 -0.284 1
1 646 . 12 1 1 A 56 56 ARG C C 56 177.670 179.125 -1.455 1
1 647 . 12 1 1 A 56 56 ARG CA C 56 57.278 59.950 -2.672 1
1 648 . 12 1 1 A 56 56 ARG CB C 56 29.564 29.929 -0.365 1
1 651 . 12 1 1 A 56 56 ARG N N 56 119.111 119.772 -0.661 1
1 652 . 12 1 1 A 57 57 LYS H H 57 7.468 7.497 -0.029 1
1 653 . 12 1 1 A 57 57 LYS HA H 57 4.215 4.204 0.011 1
1 662 . 12 1 1 A 57 57 LYS C C 57 177.937 179.174 -1.237 1
1 663 . 12 1 1 A 57 57 LYS CA C 57 58.454 59.496 -1.042 1
1 664 . 12 1 1 A 57 57 LYS CB C 57 32.656 32.485 0.171 1
1 668 . 12 1 1 A 57 57 LYS N N 57 118.984 119.644 -0.660 1
1 669 . 12 1 1 A 58 58 VAL H H 58 7.564 7.652 -0.088 1
1 670 . 12 1 1 A 58 58 VAL HA H 58 3.866 3.610 0.256 1
1 678 . 12 1 1 A 58 58 VAL C C 58 177.306 177.020 0.286 1
1 679 . 12 1 1 A 58 58 VAL CA C 58 64.013 66.099 -2.086 1
1 680 . 12 1 1 A 58 58 VAL CB C 58 32.128 31.327 0.801 1
1 683 . 12 1 1 A 58 58 VAL N N 58 118.037 120.181 -2.144 1
1 684 . 12 1 1 A 59 59 TYR H H 59 7.871 6.968 0.903 1
1 685 . 12 1 1 A 59 59 TYR HA H 59 4.381 4.569 -0.188 1
1 692 . 12 1 1 A 59 59 TYR C C 59 176.577 178.557 -1.980 1
1 693 . 12 1 1 A 59 59 TYR CA C 59 59.112 61.085 -1.973 1
1 694 . 12 1 1 A 59 59 TYR CB C 59 38.382 38.326 0.056 1
1 699 . 12 1 1 A 59 59 TYR N N 59 121.466 118.368 3.098 1
1 700 . 12 1 1 A 60 60 GLN H H 60 8.074 8.386 -0.312 1
1 701 . 12 1 1 A 60 60 GLN HA H 60 4.103 3.985 0.118 1
1 708 . 12 1 1 A 60 60 GLN C C 60 176.334 177.377 -1.043 1
1 709 . 12 1 1 A 60 60 GLN CA C 60 56.820 58.766 -1.946 1
1 710 . 12 1 1 A 60 60 GLN CB C 60 29.003 28.355 0.648 1
1 712 . 12 1 1 A 60 60 GLN N N 60 120.517 118.938 1.579 1
1 714 . 12 1 1 A 61 61 TYR H H 61 8.001 8.004 -0.003 1
1 715 . 12 1 1 A 61 61 TYR HA H 61 4.544 4.510 0.034 1
1 722 . 12 1 1 A 61 61 TYR C C 61 176.456 175.910 0.546 1
1 723 . 12 1 1 A 61 61 TYR CA C 61 58.442 59.111 -0.669 1
1 724 . 12 1 1 A 61 61 TYR CB C 61 38.408 39.789 -1.381 1
1 729 . 12 1 1 A 61 61 TYR N N 61 119.641 116.224 3.417 1
1 730 . 12 1 1 A 62 62 SER H H 62 8.071 8.050 0.021 1
1 731 . 12 1 1 A 62 62 SER HA H 62 4.371 4.495 -0.124 1
1 734 . 12 1 1 A 62 62 SER C C 62 174.440 173.995 0.445 1
1 735 . 12 1 1 A 62 62 SER CA C 62 58.830 57.052 1.778 1
1 736 . 12 1 1 A 62 62 SER CB C 62 63.806 63.220 0.586 1
1 737 . 12 1 1 A 62 62 SER N N 62 116.272 113.897 2.375 1
1 738 . 12 1 1 A 63 63 ASN HA H 63 4.737 4.578 0.159 1
1 743 . 12 1 1 A 63 63 ASN CA C 63 50.823 55.517 -4.694 1
1 744 . 12 1 1 A 63 63 ASN CB C 63 38.920 38.870 0.050 1
1 746 . 12 1 1 A 64 64 SER HA H 64 4.407 4.156 0.251 1
1 749 . 12 1 1 A 64 64 SER C C 64 174.610 175.576 -0.966 1
1 750 . 12 1 1 A 64 64 SER CA C 64 58.794 61.474 -2.680 1
1 751 . 12 1 1 A 64 64 SER CB C 64 63.727 63.155 0.572 1
1 752 . 12 1 1 A 65 65 ARG H H 65 8.263 7.778 0.485 1
1 753 . 12 1 1 A 65 65 ARG HA H 65 4.405 4.349 0.056 1
1 760 . 12 1 1 A 65 65 ARG C C 65 176.310 175.613 0.697 1
1 761 . 12 1 1 A 65 65 ARG CA C 65 56.185 56.695 -0.510 1
1 762 . 12 1 1 A 65 65 ARG CB C 65 30.643 30.843 -0.200 1
1 765 . 12 1 1 A 65 65 ARG N N 65 122.520 121.870 0.650 1
1 766 . 12 1 1 A 66 66 SER H H 66 8.253 8.676 -0.423 1
1 767 . 12 1 1 A 66 66 SER HA H 66 4.507 5.544 -1.037 1
1 770 . 12 1 1 A 66 66 SER C C 66 174.489 173.774 0.715 1
1 771 . 12 1 1 A 66 66 SER CA C 66 58.320 56.658 1.662 1
1 772 . 12 1 1 A 66 66 SER CB C 66 63.974 65.260 -1.286 1
1 773 . 12 1 1 A 66 66 SER N N 66 116.498 118.748 -2.250 1
1 774 . 12 1 1 A 67 67 GLY H H 67 8.201 8.792 -0.591 1
1 775 . 12 1 1 A 67 67 GLY HA2 H 67 4.113 4.347 -0.234 1
1 776 . 12 1 1 A 67 67 GLY C C 67 171.769 171.541 0.228 1
1 777 . 12 1 1 A 67 67 GLY CA C 67 44.689 44.434 0.255 1
1 778 . 12 1 1 A 67 67 GLY N N 67 110.648 111.320 -0.672 1
1 781 . 12 1 1 A 69 69 SER HA H 69 4.481 4.790 -0.309 1
1 784 . 12 1 1 A 69 69 SER C C 69 174.659 173.188 1.471 1
1 785 . 12 1 1 A 69 69 SER CA C 69 58.371 57.036 1.335 1
1 786 . 12 1 1 A 69 69 SER CB C 69 63.645 64.788 -1.143 1
1 787 . 12 1 1 A 70 70 SER H H 70 8.303 8.495 -0.192 1
1 788 . 12 1 1 A 70 70 SER HA H 70 4.473 5.048 -0.575 1
1 791 . 12 1 1 A 70 70 SER C C 70 173.930 174.185 -0.255 1
1 792 . 12 1 1 A 70 70 SER CA C 70 58.406 57.627 0.779 1
1 793 . 12 1 1 A 70 70 SER CB C 70 64.057 64.644 -0.587 1
1 794 . 12 1 1 A 70 70 SER N N 70 117.757 122.692 -4.935 1
1 1 . 13 1 1 A 7 7 GLY HA2 H 7 3.980 4.037 -0.057 1
1 2 . 13 1 1 A 7 7 GLY HA3 H 7 3.980 4.037 -0.057 1
1 3 . 13 1 1 A 7 7 GLY C C 7 173.809 173.374 0.435 1
1 4 . 13 1 1 A 7 7 GLY CA C 7 45.148 44.344 0.804 1
1 5 . 13 1 1 A 8 8 SER H H 8 8.167 8.536 -0.369 1
1 6 . 13 1 1 A 8 8 SER C C 8 172.741 173.009 -0.268 1
1 7 . 13 1 1 A 8 8 SER CA C 8 56.432 56.046 0.386 1
1 8 . 13 1 1 A 8 8 SER CB C 8 63.397 63.839 -0.442 1
1 9 . 13 1 1 A 8 8 SER N N 8 116.986 116.177 0.809 1
1 10 . 13 1 1 A 9 9 PRO HA H 9 4.471 4.691 -0.220 1
1 17 . 13 1 1 A 9 9 PRO C C 9 176.771 176.486 0.285 1
1 18 . 13 1 1 A 9 9 PRO CA C 9 63.244 62.761 0.483 1
1 19 . 13 1 1 A 9 9 PRO CB C 9 32.121 31.782 0.339 1
1 22 . 13 1 1 A 10 10 ILE H H 10 8.173 8.544 -0.371 1
1 23 . 13 1 1 A 10 10 ILE HA H 10 4.084 4.410 -0.326 1
1 33 . 13 1 1 A 10 10 ILE C C 10 175.703 175.621 0.082 1
1 34 . 13 1 1 A 10 10 ILE CA C 10 61.051 61.100 -0.049 1
1 35 . 13 1 1 A 10 10 ILE CB C 10 38.806 38.588 0.218 1
1 39 . 13 1 1 A 10 10 ILE N N 10 120.782 123.894 -3.112 1
1 40 . 13 1 1 A 11 11 ASN H H 11 8.538 8.550 -0.012 1
1 41 . 13 1 1 A 11 11 ASN HA H 11 4.992 5.313 -0.321 1
1 46 . 13 1 1 A 11 11 ASN C C 11 173.785 174.126 -0.341 1
1 47 . 13 1 1 A 11 11 ASN CA C 11 50.794 49.755 1.039 1
1 48 . 13 1 1 A 11 11 ASN CB C 11 39.063 39.745 -0.682 1
1 49 . 13 1 1 A 11 11 ASN N N 11 123.456 126.053 -2.597 1
1 51 . 13 1 1 A 12 12 PRO HA H 12 4.328 4.380 -0.052 1
1 58 . 13 1 1 A 12 12 PRO C C 12 176.674 177.461 -0.787 1
1 59 . 13 1 1 A 12 12 PRO CA C 12 63.616 65.262 -1.646 1
1 60 . 13 1 1 A 12 12 PRO CB C 12 31.997 31.863 0.134 1
1 63 . 13 1 1 A 13 13 TYR H H 13 7.994 7.949 0.045 1
1 64 . 13 1 1 A 13 13 TYR HA H 13 4.574 4.822 -0.248 1
1 71 . 13 1 1 A 13 13 TYR C C 13 176.237 177.651 -1.414 1
1 72 . 13 1 1 A 13 13 TYR CA C 13 57.866 58.333 -0.467 1
1 73 . 13 1 1 A 13 13 TYR CB C 13 38.013 39.999 -1.986 1
1 78 . 13 1 1 A 13 13 TYR N N 13 118.352 116.082 2.270 1
1 79 . 13 1 1 A 14 14 LYS H H 14 7.727 7.586 0.141 1
1 80 . 13 1 1 A 14 14 LYS HA H 14 4.131 3.805 0.326 1
1 88 . 13 1 1 A 14 14 LYS C C 14 176.626 178.565 -1.939 1
1 89 . 13 1 1 A 14 14 LYS CA C 14 57.704 59.320 -1.616 1
1 90 . 13 1 1 A 14 14 LYS CB C 14 33.154 32.017 1.137 1
1 94 . 13 1 1 A 14 14 LYS N N 14 121.585 122.468 -0.883 1
1 95 . 13 1 1 A 15 15 ASP H H 15 8.374 7.902 0.472 1
1 96 . 13 1 1 A 15 15 ASP HA H 15 4.620 4.336 0.284 1
1 99 . 13 1 1 A 15 15 ASP C C 15 174.125 178.322 -4.197 1
1 100 . 13 1 1 A 15 15 ASP CA C 15 54.763 57.254 -2.491 1
1 101 . 13 1 1 A 15 15 ASP CB C 15 40.533 41.075 -0.542 1
1 102 . 13 1 1 A 15 15 ASP N N 15 119.870 119.613 0.257 1
1 103 . 13 1 1 A 16 16 HIS H H 16 8.034 8.338 -0.304 1
1 104 . 13 1 1 A 16 16 HIS HA H 16 4.419 4.344 0.075 1
1 109 . 13 1 1 A 16 16 HIS CA C 16 58.742 59.250 -0.508 1
1 110 . 13 1 1 A 16 16 HIS CB C 16 30.675 29.690 0.985 1
1 113 . 13 1 1 A 16 16 HIS N N 16 124.264 118.418 5.846 1
1 114 . 13 1 1 A 17 17 MET H H 17 8.049 8.009 0.040 1
1 115 . 13 1 1 A 17 17 MET HA H 17 4.160 3.999 0.161 1
1 123 . 13 1 1 A 17 17 MET CA C 17 57.275 58.017 -0.742 1
1 124 . 13 1 1 A 17 17 MET CB C 17 31.055 33.315 -2.260 1
1 127 . 13 1 1 A 17 17 MET N N 17 117.829 118.075 -0.246 1
1 128 . 13 1 1 A 18 18 SER HA H 18 4.134 4.120 0.014 1
1 131 . 13 1 1 A 18 18 SER C C 18 176.941 176.265 0.676 1
1 132 . 13 1 1 A 18 18 SER CA C 18 61.889 62.458 -0.569 1
1 133 . 13 1 1 A 18 18 SER CB C 18 62.424 62.557 -0.133 1
1 134 . 13 1 1 A 19 19 VAL H H 19 7.568 8.025 -0.457 1
1 135 . 13 1 1 A 19 19 VAL HA H 19 3.809 3.557 0.252 1
1 143 . 13 1 1 A 19 19 VAL C C 19 177.913 177.431 0.482 1
1 144 . 13 1 1 A 19 19 VAL CA C 19 65.637 65.446 0.191 1
1 145 . 13 1 1 A 19 19 VAL CB C 19 31.737 31.710 0.027 1
1 148 . 13 1 1 A 19 19 VAL N N 19 122.341 120.572 1.769 1
1 149 . 13 1 1 A 20 20 LEU H H 20 7.788 8.066 -0.278 1
1 150 . 13 1 1 A 20 20 LEU HA H 20 3.940 4.149 -0.209 1
1 160 . 13 1 1 A 20 20 LEU C C 20 178.520 179.224 -0.704 1
1 161 . 13 1 1 A 20 20 LEU CA C 20 58.336 57.940 0.396 1
1 162 . 13 1 1 A 20 20 LEU CB C 20 39.138 41.082 -1.944 1
1 166 . 13 1 1 A 20 20 LEU N N 20 120.156 121.403 -1.247 1
1 167 . 13 1 1 A 21 21 LYS H H 21 8.067 8.114 -0.047 1
1 168 . 13 1 1 A 21 21 LYS HA H 21 4.047 4.396 -0.349 1
1 175 . 13 1 1 A 21 21 LYS C C 21 179.102 179.219 -0.117 1
1 176 . 13 1 1 A 21 21 LYS CA C 21 60.667 59.147 1.520 1
1 177 . 13 1 1 A 21 21 LYS CB C 21 32.519 31.899 0.620 1
1 181 . 13 1 1 A 21 21 LYS N N 21 117.374 117.739 -0.365 1
1 182 . 13 1 1 A 22 22 ALA H H 22 7.718 8.137 -0.419 1
1 183 . 13 1 1 A 22 22 ALA HA H 22 4.217 4.140 0.077 1
1 187 . 13 1 1 A 22 22 ALA C C 22 180.486 179.388 1.098 1
1 188 . 13 1 1 A 22 22 ALA CA C 22 54.954 54.906 0.048 1
1 189 . 13 1 1 A 22 22 ALA CB C 22 17.934 18.183 -0.249 1
1 190 . 13 1 1 A 22 22 ALA N N 22 122.528 122.322 0.206 1
1 191 . 13 1 1 A 23 23 TYR H H 23 8.036 7.200 0.836 1
1 192 . 13 1 1 A 23 23 TYR HA H 23 4.291 4.373 -0.082 1
1 199 . 13 1 1 A 23 23 TYR C C 23 178.860 178.391 0.469 1
1 200 . 13 1 1 A 23 23 TYR CA C 23 62.616 61.836 0.780 1
1 201 . 13 1 1 A 23 23 TYR CB C 23 38.455 38.217 0.238 1
1 206 . 13 1 1 A 23 23 TYR N N 23 117.835 116.043 1.792 1
1 207 . 13 1 1 A 24 24 TYR H H 24 8.856 8.222 0.634 1
1 208 . 13 1 1 A 24 24 TYR HA H 24 4.420 4.882 -0.462 1
1 215 . 13 1 1 A 24 24 TYR C C 24 175.484 176.999 -1.515 1
1 216 . 13 1 1 A 24 24 TYR CA C 24 61.291 62.133 -0.842 1
1 217 . 13 1 1 A 24 24 TYR CB C 24 38.629 38.800 -0.171 1
1 222 . 13 1 1 A 24 24 TYR N N 24 122.534 120.554 1.980 1
1 223 . 13 1 1 A 25 25 ALA H H 25 7.616 8.323 -0.707 1
1 224 . 13 1 1 A 25 25 ALA HA H 25 4.084 4.237 -0.153 1
1 228 . 13 1 1 A 25 25 ALA C C 25 179.224 180.093 -0.869 1
1 229 . 13 1 1 A 25 25 ALA CA C 25 53.893 55.444 -1.551 1
1 230 . 13 1 1 A 25 25 ALA CB C 25 18.433 18.695 -0.262 1
1 231 . 13 1 1 A 25 25 ALA N N 25 116.147 121.671 -5.524 1
1 232 . 13 1 1 A 26 26 MET H H 26 7.379 7.704 -0.325 1
1 233 . 13 1 1 A 26 26 MET HA H 26 4.353 4.545 -0.192 1
1 241 . 13 1 1 A 26 26 MET C C 26 176.529 176.832 -0.303 1
1 242 . 13 1 1 A 26 26 MET CA C 26 56.724 57.487 -0.763 1
1 243 . 13 1 1 A 26 26 MET CB C 26 33.645 33.781 -0.136 1
1 246 . 13 1 1 A 26 26 MET N N 26 114.990 116.122 -1.132 1
1 247 . 13 1 1 A 27 27 ASN H H 27 7.865 8.221 -0.356 1
1 248 . 13 1 1 A 27 27 ASN HA H 27 4.562 5.000 -0.438 1
1 253 . 13 1 1 A 27 27 ASN C C 27 173.323 175.388 -2.065 1
1 254 . 13 1 1 A 27 27 ASN CA C 27 53.143 52.140 1.003 1
1 255 . 13 1 1 A 27 27 ASN CB C 27 38.096 40.102 -2.006 1
1 256 . 13 1 1 A 27 27 ASN N N 27 117.385 116.809 0.576 1
1 258 . 13 1 1 A 28 28 MET H H 28 8.400 8.544 -0.144 1
1 259 . 13 1 1 A 28 28 MET HA H 28 4.064 3.072 0.992 1
1 267 . 13 1 1 A 28 28 MET C C 28 175.557 176.240 -0.683 1
1 268 . 13 1 1 A 28 28 MET CA C 28 57.419 58.096 -0.677 1
1 269 . 13 1 1 A 28 28 MET CB C 28 33.795 32.333 1.462 1
1 272 . 13 1 1 A 28 28 MET N N 28 121.660 123.832 -2.172 1
1 273 . 13 1 1 A 29 29 GLU H H 29 7.821 8.039 -0.218 1
1 274 . 13 1 1 A 29 29 GLU HA H 29 4.757 4.505 0.252 1
1 279 . 13 1 1 A 29 29 GLU C C 29 172.328 173.369 -1.041 1
1 280 . 13 1 1 A 29 29 GLU CA C 29 53.293 53.066 0.227 1
1 281 . 13 1 1 A 29 29 GLU CB C 29 30.761 30.229 0.532 1
1 283 . 13 1 1 A 29 29 GLU N N 29 116.541 118.743 -2.202 1
1 284 . 13 1 1 A 30 30 PRO HA H 30 4.475 4.430 0.045 1
1 291 . 13 1 1 A 30 30 PRO C C 30 177.014 176.046 0.968 1
1 292 . 13 1 1 A 30 30 PRO CA C 30 62.603 62.104 0.499 1
1 293 . 13 1 1 A 30 30 PRO CB C 30 31.915 32.506 -0.591 1
1 296 . 13 1 1 A 31 31 ASN H H 31 8.909 8.351 0.558 1
1 297 . 13 1 1 A 31 31 ASN HA H 31 4.673 4.934 -0.261 1
1 302 . 13 1 1 A 31 31 ASN C C 31 175.460 176.241 -0.781 1
1 303 . 13 1 1 A 31 31 ASN CA C 31 51.303 51.427 -0.124 1
1 304 . 13 1 1 A 31 31 ASN CB C 31 38.261 40.978 -2.717 1
1 305 . 13 1 1 A 31 31 ASN N N 31 120.499 118.374 2.125 1
1 307 . 13 1 1 A 32 32 SER H H 32 8.486 8.955 -0.469 1
1 308 . 13 1 1 A 32 32 SER HA H 32 4.024 3.998 0.026 1
1 311 . 13 1 1 A 32 32 SER C C 32 176.650 176.417 0.233 1
1 312 . 13 1 1 A 32 32 SER CA C 32 62.621 62.245 0.376 1
1 313 . 13 1 1 A 32 32 SER CB C 32 62.675 62.885 -0.210 1
1 314 . 13 1 1 A 32 32 SER N N 32 112.460 116.005 -3.545 1
1 315 . 13 1 1 A 33 33 ASP H H 33 7.935 8.356 -0.421 1
1 316 . 13 1 1 A 33 33 ASP HA H 33 4.441 4.278 0.163 1
1 319 . 13 1 1 A 33 33 ASP C C 33 178.811 179.002 -0.191 1
1 320 . 13 1 1 A 33 33 ASP CA C 33 57.456 57.599 -0.143 1
1 321 . 13 1 1 A 33 33 ASP CB C 33 40.870 40.438 0.432 1
1 322 . 13 1 1 A 33 33 ASP N N 33 122.575 121.946 0.629 1
1 323 . 13 1 1 A 34 34 GLU H H 34 8.442 7.893 0.549 1
1 324 . 13 1 1 A 34 34 GLU HA H 34 3.898 3.961 -0.063 1
1 329 . 13 1 1 A 34 34 GLU C C 34 179.127 178.963 0.164 1
1 330 . 13 1 1 A 34 34 GLU CA C 34 59.041 59.256 -0.215 1
1 331 . 13 1 1 A 34 34 GLU CB C 34 29.854 29.466 0.388 1
1 333 . 13 1 1 A 34 34 GLU N N 34 121.743 119.415 2.328 1
1 334 . 13 1 1 A 35 35 LEU H H 35 8.723 8.429 0.294 1
1 335 . 13 1 1 A 35 35 LEU HA H 35 3.735 3.745 -0.010 1
1 345 . 13 1 1 A 35 35 LEU C C 35 179.321 178.891 0.430 1
1 346 . 13 1 1 A 35 35 LEU CA C 35 58.118 57.891 0.227 1
1 347 . 13 1 1 A 35 35 LEU CB C 35 42.428 41.510 0.918 1
1 351 . 13 1 1 A 35 35 LEU N N 35 119.674 120.831 -1.157 1
1 352 . 13 1 1 A 36 36 LEU H H 36 7.651 8.178 -0.527 1
1 353 . 13 1 1 A 36 36 LEU HA H 36 4.039 3.943 0.096 1
1 363 . 13 1 1 A 36 36 LEU C C 36 178.908 178.524 0.384 1
1 364 . 13 1 1 A 36 36 LEU CA C 36 58.414 58.755 -0.341 1
1 365 . 13 1 1 A 36 36 LEU CB C 36 41.040 41.955 -0.915 1
1 369 . 13 1 1 A 36 36 LEU N N 36 121.058 119.849 1.209 1
1 370 . 13 1 1 A 37 37 LYS H H 37 7.704 7.688 0.016 1
1 371 . 13 1 1 A 37 37 LYS HA H 37 3.874 3.971 -0.097 1
1 379 . 13 1 1 A 37 37 LYS C C 37 180.025 179.043 0.982 1
1 380 . 13 1 1 A 37 37 LYS CA C 37 60.345 59.386 0.959 1
1 381 . 13 1 1 A 37 37 LYS CB C 37 32.327 32.571 -0.244 1
1 385 . 13 1 1 A 37 37 LYS N N 37 119.032 117.754 1.278 1
1 386 . 13 1 1 A 38 38 ILE H H 38 8.413 8.336 0.077 1
1 387 . 13 1 1 A 38 38 ILE HA H 38 3.296 3.276 0.020 1
1 397 . 13 1 1 A 38 38 ILE C C 38 177.063 177.951 -0.888 1
1 398 . 13 1 1 A 38 38 ILE CA C 38 65.479 65.182 0.297 1
1 399 . 13 1 1 A 38 38 ILE CB C 38 38.384 37.398 0.986 1
1 403 . 13 1 1 A 38 38 ILE N N 38 120.466 120.904 -0.438 1
1 404 . 13 1 1 A 39 39 SER H H 39 8.183 8.143 0.040 1
1 405 . 13 1 1 A 39 39 SER HA H 39 4.047 4.341 -0.294 1
1 408 . 13 1 1 A 39 39 SER C C 39 176.359 177.684 -1.325 1
1 409 . 13 1 1 A 39 39 SER CA C 39 62.620 61.024 1.596 1
1 410 . 13 1 1 A 39 39 SER CB C 39 62.548 62.798 -0.250 1
1 411 . 13 1 1 A 39 39 SER N N 39 115.371 114.204 1.167 1
1 412 . 13 1 1 A 40 40 ILE H H 40 7.983 7.995 -0.012 1
1 413 . 13 1 1 A 40 40 ILE HA H 40 3.785 3.677 0.108 1
1 423 . 13 1 1 A 40 40 ILE C C 40 178.714 177.854 0.860 1
1 424 . 13 1 1 A 40 40 ILE CA C 40 64.307 65.440 -1.133 1
1 425 . 13 1 1 A 40 40 ILE CB C 40 38.440 38.002 0.438 1
1 429 . 13 1 1 A 40 40 ILE N N 40 121.913 122.794 -0.881 1
1 430 . 13 1 1 A 41 41 ALA H H 41 7.886 8.871 -0.985 1
1 431 . 13 1 1 A 41 41 ALA HA H 41 4.157 4.075 0.082 1
1 435 . 13 1 1 A 41 41 ALA C C 41 180.147 179.853 0.294 1
1 436 . 13 1 1 A 41 41 ALA CA C 41 55.268 55.572 -0.304 1
1 437 . 13 1 1 A 41 41 ALA CB C 41 18.646 18.624 0.022 1
1 438 . 13 1 1 A 41 41 ALA N N 41 122.775 122.209 0.566 1
1 439 . 13 1 1 A 42 42 VAL H H 42 8.268 7.126 1.142 1
1 440 . 13 1 1 A 42 42 VAL HA H 42 4.352 4.042 0.310 1
1 448 . 13 1 1 A 42 42 VAL C C 42 175.849 176.975 -1.126 1
1 449 . 13 1 1 A 42 42 VAL CA C 42 61.352 63.599 -2.247 1
1 450 . 13 1 1 A 42 42 VAL CB C 42 32.632 33.148 -0.516 1
1 453 . 13 1 1 A 42 42 VAL N N 42 108.944 111.202 -2.258 1
1 454 . 13 1 1 A 43 43 GLY H H 43 7.837 8.094 -0.257 1
1 455 . 13 1 1 A 43 43 GLY HA2 H 43 3.937 3.994 -0.057 1
1 456 . 13 1 1 A 43 43 GLY HA3 H 43 3.852 4.010 -0.158 1
1 457 . 13 1 1 A 43 43 GLY C C 43 174.392 174.188 0.204 1
1 458 . 13 1 1 A 43 43 GLY CA C 43 46.770 44.824 1.946 1
1 459 . 13 1 1 A 43 43 GLY N N 43 110.644 111.774 -1.130 1
1 460 . 13 1 1 A 44 44 LEU H H 44 7.483 7.654 -0.171 1
1 461 . 13 1 1 A 44 44 LEU HA H 44 4.833 4.462 0.371 1
1 471 . 13 1 1 A 44 44 LEU C C 44 173.348 174.868 -1.520 1
1 472 . 13 1 1 A 44 44 LEU CA C 44 51.178 52.945 -1.767 1
1 473 . 13 1 1 A 44 44 LEU CB C 44 45.096 41.247 3.849 1
1 477 . 13 1 1 A 44 44 LEU N N 44 118.486 122.901 -4.415 1
1 478 . 13 1 1 A 45 45 PRO HA H 45 4.447 4.702 -0.255 1
1 485 . 13 1 1 A 45 45 PRO C C 45 178.301 177.882 0.419 1
1 486 . 13 1 1 A 45 45 PRO CA C 45 62.740 63.050 -0.310 1
1 487 . 13 1 1 A 45 45 PRO CB C 45 32.626 31.719 0.907 1
1 490 . 13 1 1 A 46 46 GLN H H 46 9.200 9.005 0.195 1
1 491 . 13 1 1 A 46 46 GLN HA H 46 4.007 4.022 -0.015 1
1 498 . 13 1 1 A 46 46 GLN C C 46 177.718 177.845 -0.127 1
1 499 . 13 1 1 A 46 46 GLN CA C 46 60.099 59.183 0.916 1
1 500 . 13 1 1 A 46 46 GLN CB C 46 28.371 28.694 -0.323 1
1 502 . 13 1 1 A 46 46 GLN N N 46 125.692 124.804 0.888 1
1 504 . 13 1 1 A 47 47 GLU H H 47 9.618 8.655 0.963 1
1 505 . 13 1 1 A 47 47 GLU HA H 47 4.036 4.114 -0.078 1
1 510 . 13 1 1 A 47 47 GLU C C 47 178.860 179.038 -0.178 1
1 511 . 13 1 1 A 47 47 GLU CA C 47 60.029 59.583 0.446 1
1 512 . 13 1 1 A 47 47 GLU CB C 47 28.746 29.656 -0.910 1
1 514 . 13 1 1 A 47 47 GLU N N 47 117.907 118.779 -0.872 1
1 515 . 13 1 1 A 48 48 PHE H H 48 7.194 8.284 -1.090 1
1 516 . 13 1 1 A 48 48 PHE HA H 48 4.385 4.263 0.122 1
1 524 . 13 1 1 A 48 48 PHE C C 48 177.524 177.475 0.049 1
1 525 . 13 1 1 A 48 48 PHE CA C 48 60.699 61.322 -0.623 1
1 526 . 13 1 1 A 48 48 PHE CB C 48 39.190 39.026 0.164 1
1 532 . 13 1 1 A 48 48 PHE N N 48 119.141 121.671 -2.530 1
1 533 . 13 1 1 A 49 49 VAL H H 49 7.761 8.251 -0.490 1
1 534 . 13 1 1 A 49 49 VAL HA H 49 3.509 3.740 -0.231 1
1 542 . 13 1 1 A 49 49 VAL C C 49 177.306 178.246 -0.940 1
1 543 . 13 1 1 A 49 49 VAL CA C 49 67.242 67.014 0.228 1
1 544 . 13 1 1 A 49 49 VAL CB C 49 31.844 31.753 0.091 1
1 547 . 13 1 1 A 49 49 VAL N N 49 120.478 119.711 0.767 1
1 548 . 13 1 1 A 50 50 LYS H H 50 8.751 8.331 0.420 1
1 549 . 13 1 1 A 50 50 LYS HA H 50 4.023 4.030 -0.007 1
1 557 . 13 1 1 A 50 50 LYS C C 50 178.593 179.079 -0.486 1
1 558 . 13 1 1 A 50 50 LYS CA C 50 60.274 59.950 0.324 1
1 559 . 13 1 1 A 50 50 LYS CB C 50 32.821 32.600 0.221 1
1 563 . 13 1 1 A 50 50 LYS N N 50 119.513 120.207 -0.694 1
1 564 . 13 1 1 A 51 51 GLU H H 51 7.636 7.839 -0.203 1
1 565 . 13 1 1 A 51 51 GLU HA H 51 4.110 4.063 0.047 1
1 570 . 13 1 1 A 51 51 GLU C C 51 177.791 178.891 -1.100 1
1 571 . 13 1 1 A 51 51 GLU CA C 51 59.253 59.611 -0.358 1
1 572 . 13 1 1 A 51 51 GLU CB C 51 29.442 29.418 0.024 1
1 574 . 13 1 1 A 51 51 GLU N N 51 118.681 117.468 1.213 1
1 575 . 13 1 1 A 52 52 TRP H H 52 8.396 7.915 0.481 1
1 576 . 13 1 1 A 52 52 TRP HA H 52 3.794 4.135 -0.341 1
1 585 . 13 1 1 A 52 52 TRP C C 52 179.709 178.408 1.301 1
1 586 . 13 1 1 A 52 52 TRP CA C 52 62.688 60.359 2.329 1
1 587 . 13 1 1 A 52 52 TRP CB C 52 28.806 29.444 -0.638 1
1 593 . 13 1 1 A 52 52 TRP N N 52 121.740 122.094 -0.354 1
1 595 . 13 1 1 A 53 53 PHE H H 53 8.602 8.107 0.495 1
1 596 . 13 1 1 A 53 53 PHE HA H 53 3.899 4.235 -0.336 1
1 604 . 13 1 1 A 53 53 PHE C C 53 179.297 178.490 0.807 1
1 605 . 13 1 1 A 53 53 PHE CA C 53 63.414 61.819 1.595 1
1 606 . 13 1 1 A 53 53 PHE CB C 53 39.480 38.829 0.651 1
1 612 . 13 1 1 A 53 53 PHE N N 53 117.648 117.477 0.171 1
1 613 . 13 1 1 A 54 54 GLU H H 54 8.372 8.094 0.278 1
1 614 . 13 1 1 A 54 54 GLU HA H 54 4.070 3.890 0.180 1
1 619 . 13 1 1 A 54 54 GLU C C 54 179.540 179.374 0.166 1
1 620 . 13 1 1 A 54 54 GLU CA C 54 59.676 60.178 -0.502 1
1 621 . 13 1 1 A 54 54 GLU CB C 54 29.448 29.308 0.140 1
1 623 . 13 1 1 A 54 54 GLU N N 54 120.198 119.110 1.088 1
1 624 . 13 1 1 A 55 55 GLN H H 55 8.275 8.541 -0.266 1
1 625 . 13 1 1 A 55 55 GLN HA H 55 3.975 3.869 0.106 1
1 632 . 13 1 1 A 55 55 GLN C C 55 177.913 178.978 -1.065 1
1 633 . 13 1 1 A 55 55 GLN CA C 55 57.773 59.326 -1.553 1
1 634 . 13 1 1 A 55 55 GLN CB C 55 28.075 27.930 0.145 1
1 636 . 13 1 1 A 55 55 GLN N N 55 117.674 118.852 -1.178 1
1 638 . 13 1 1 A 56 56 ARG H H 56 7.413 8.022 -0.609 1
1 639 . 13 1 1 A 56 56 ARG HA H 56 3.727 4.038 -0.311 1
1 646 . 13 1 1 A 56 56 ARG C C 56 177.670 179.251 -1.581 1
1 647 . 13 1 1 A 56 56 ARG CA C 56 57.278 59.987 -2.709 1
1 648 . 13 1 1 A 56 56 ARG CB C 56 29.564 30.048 -0.484 1
1 651 . 13 1 1 A 56 56 ARG N N 56 119.111 120.023 -0.912 1
1 652 . 13 1 1 A 57 57 LYS H H 57 7.468 7.807 -0.339 1
1 653 . 13 1 1 A 57 57 LYS HA H 57 4.215 4.188 0.027 1
1 662 . 13 1 1 A 57 57 LYS C C 57 177.937 179.237 -1.300 1
1 663 . 13 1 1 A 57 57 LYS CA C 57 58.454 59.597 -1.143 1
1 664 . 13 1 1 A 57 57 LYS CB C 57 32.656 32.536 0.120 1
1 668 . 13 1 1 A 57 57 LYS N N 57 118.984 119.525 -0.541 1
1 669 . 13 1 1 A 58 58 VAL H H 58 7.564 7.702 -0.138 1
1 670 . 13 1 1 A 58 58 VAL HA H 58 3.866 3.609 0.257 1
1 678 . 13 1 1 A 58 58 VAL C C 58 177.306 177.006 0.300 1
1 679 . 13 1 1 A 58 58 VAL CA C 58 64.013 66.131 -2.118 1
1 680 . 13 1 1 A 58 58 VAL CB C 58 32.128 31.316 0.812 1
1 683 . 13 1 1 A 58 58 VAL N N 58 118.037 120.439 -2.402 1
1 684 . 13 1 1 A 59 59 TYR H H 59 7.871 7.004 0.867 1
1 685 . 13 1 1 A 59 59 TYR HA H 59 4.381 4.557 -0.176 1
1 692 . 13 1 1 A 59 59 TYR C C 59 176.577 178.641 -2.064 1
1 693 . 13 1 1 A 59 59 TYR CA C 59 59.112 61.049 -1.937 1
1 694 . 13 1 1 A 59 59 TYR CB C 59 38.382 38.066 0.316 1
1 699 . 13 1 1 A 59 59 TYR N N 59 121.466 118.390 3.076 1
1 700 . 13 1 1 A 60 60 GLN H H 60 8.074 8.317 -0.243 1
1 701 . 13 1 1 A 60 60 GLN HA H 60 4.103 4.016 0.087 1
1 708 . 13 1 1 A 60 60 GLN C C 60 176.334 177.755 -1.421 1
1 709 . 13 1 1 A 60 60 GLN CA C 60 56.820 58.845 -2.025 1
1 710 . 13 1 1 A 60 60 GLN CB C 60 29.003 28.056 0.947 1
1 712 . 13 1 1 A 60 60 GLN N N 60 120.517 118.875 1.642 1
1 714 . 13 1 1 A 61 61 TYR H H 61 8.001 8.066 -0.065 1
1 715 . 13 1 1 A 61 61 TYR HA H 61 4.544 4.446 0.098 1
1 722 . 13 1 1 A 61 61 TYR C C 61 176.456 175.908 0.548 1
1 723 . 13 1 1 A 61 61 TYR CA C 61 58.442 59.422 -0.980 1
1 724 . 13 1 1 A 61 61 TYR CB C 61 38.408 39.564 -1.156 1
1 729 . 13 1 1 A 61 61 TYR N N 61 119.641 116.399 3.242 1
1 730 . 13 1 1 A 62 62 SER H H 62 8.071 8.139 -0.068 1
1 731 . 13 1 1 A 62 62 SER HA H 62 4.371 4.505 -0.134 1
1 734 . 13 1 1 A 62 62 SER C C 62 174.440 174.005 0.435 1
1 735 . 13 1 1 A 62 62 SER CA C 62 58.830 56.961 1.869 1
1 736 . 13 1 1 A 62 62 SER CB C 62 63.806 63.831 -0.025 1
1 737 . 13 1 1 A 62 62 SER N N 62 116.272 113.748 2.524 1
1 738 . 13 1 1 A 63 63 ASN HA H 63 4.737 4.739 -0.002 1
1 743 . 13 1 1 A 63 63 ASN CA C 63 50.823 55.437 -4.614 1
1 744 . 13 1 1 A 63 63 ASN CB C 63 38.920 39.280 -0.360 1
1 746 . 13 1 1 A 64 64 SER HA H 64 4.407 4.279 0.128 1
1 749 . 13 1 1 A 64 64 SER C C 64 174.610 174.754 -0.144 1
1 750 . 13 1 1 A 64 64 SER CA C 64 58.794 58.918 -0.124 1
1 751 . 13 1 1 A 64 64 SER CB C 64 63.727 63.325 0.402 1
1 752 . 13 1 1 A 65 65 ARG H H 65 8.263 8.995 -0.732 1
1 753 . 13 1 1 A 65 65 ARG HA H 65 4.405 4.672 -0.267 1
1 760 . 13 1 1 A 65 65 ARG C C 65 176.310 177.636 -1.326 1
1 761 . 13 1 1 A 65 65 ARG CA C 65 56.185 54.447 1.738 1
1 762 . 13 1 1 A 65 65 ARG CB C 65 30.643 32.167 -1.524 1
1 765 . 13 1 1 A 65 65 ARG N N 65 122.520 125.894 -3.374 1
1 766 . 13 1 1 A 66 66 SER H H 66 8.253 8.919 -0.666 1
1 767 . 13 1 1 A 66 66 SER HA H 66 4.507 4.222 0.285 1
1 770 . 13 1 1 A 66 66 SER C C 66 174.489 174.513 -0.024 1
1 771 . 13 1 1 A 66 66 SER CA C 66 58.320 60.927 -2.607 1
1 772 . 13 1 1 A 66 66 SER CB C 66 63.974 63.764 0.210 1
1 773 . 13 1 1 A 66 66 SER N N 66 116.498 117.214 -0.716 1
1 774 . 13 1 1 A 67 67 GLY H H 67 8.201 7.300 0.901 1
1 775 . 13 1 1 A 67 67 GLY HA2 H 67 4.113 4.060 0.053 1
1 776 . 13 1 1 A 67 67 GLY C C 67 171.769 174.171 -2.402 1
1 777 . 13 1 1 A 67 67 GLY CA C 67 44.689 45.651 -0.962 1
1 778 . 13 1 1 A 67 67 GLY N N 67 110.648 105.880 4.768 1
1 781 . 13 1 1 A 69 69 SER HA H 69 4.481 4.263 0.218 1
1 784 . 13 1 1 A 69 69 SER C C 69 174.659 174.344 0.315 1
1 785 . 13 1 1 A 69 69 SER CA C 69 58.371 59.194 -0.823 1
1 786 . 13 1 1 A 69 69 SER CB C 69 63.645 61.373 2.272 1
1 787 . 13 1 1 A 70 70 SER H H 70 8.303 8.282 0.021 1
1 788 . 13 1 1 A 70 70 SER HA H 70 4.473 4.506 -0.033 1
1 791 . 13 1 1 A 70 70 SER C C 70 173.930 175.982 -2.052 1
1 792 . 13 1 1 A 70 70 SER CA C 70 58.406 59.059 -0.653 1
1 793 . 13 1 1 A 70 70 SER CB C 70 64.057 64.819 -0.762 1
1 794 . 13 1 1 A 70 70 SER N N 70 117.757 113.028 4.729 1
1 1 . 14 1 1 A 7 7 GLY HA2 H 7 3.980 4.057 -0.077 1
1 2 . 14 1 1 A 7 7 GLY HA3 H 7 3.980 4.057 -0.077 1
1 3 . 14 1 1 A 7 7 GLY C C 7 173.809 172.311 1.498 1
1 4 . 14 1 1 A 7 7 GLY CA C 7 45.148 44.339 0.809 1
1 5 . 14 1 1 A 8 8 SER H H 8 8.167 8.327 -0.160 1
1 6 . 14 1 1 A 8 8 SER C C 8 172.741 172.865 -0.124 1
1 7 . 14 1 1 A 8 8 SER CA C 8 56.432 55.372 1.060 1
1 8 . 14 1 1 A 8 8 SER CB C 8 63.397 64.639 -1.242 1
1 9 . 14 1 1 A 8 8 SER N N 8 116.986 115.449 1.537 1
1 10 . 14 1 1 A 9 9 PRO HA H 9 4.471 4.628 -0.157 1
1 17 . 14 1 1 A 9 9 PRO C C 9 176.771 175.266 1.505 1
1 18 . 14 1 1 A 9 9 PRO CA C 9 63.244 62.242 1.002 1
1 19 . 14 1 1 A 9 9 PRO CB C 9 32.121 33.035 -0.914 1
1 22 . 14 1 1 A 10 10 ILE H H 10 8.173 8.373 -0.200 1
1 23 . 14 1 1 A 10 10 ILE HA H 10 4.084 4.823 -0.739 1
1 33 . 14 1 1 A 10 10 ILE C C 10 175.703 174.810 0.893 1
1 34 . 14 1 1 A 10 10 ILE CA C 10 61.051 59.400 1.651 1
1 35 . 14 1 1 A 10 10 ILE CB C 10 38.806 40.930 -2.124 1
1 39 . 14 1 1 A 10 10 ILE N N 10 120.782 120.835 -0.053 1
1 40 . 14 1 1 A 11 11 ASN H H 11 8.538 8.548 -0.010 1
1 41 . 14 1 1 A 11 11 ASN HA H 11 4.992 5.163 -0.171 1
1 46 . 14 1 1 A 11 11 ASN C C 11 173.785 174.993 -1.208 1
1 47 . 14 1 1 A 11 11 ASN CA C 11 50.794 49.401 1.393 1
1 48 . 14 1 1 A 11 11 ASN CB C 11 39.063 40.276 -1.213 1
1 49 . 14 1 1 A 11 11 ASN N N 11 123.456 125.177 -1.721 1
1 51 . 14 1 1 A 12 12 PRO HA H 12 4.328 4.428 -0.100 1
1 58 . 14 1 1 A 12 12 PRO C C 12 176.674 178.373 -1.699 1
1 59 . 14 1 1 A 12 12 PRO CA C 12 63.616 65.261 -1.645 1
1 60 . 14 1 1 A 12 12 PRO CB C 12 31.997 31.916 0.081 1
1 63 . 14 1 1 A 13 13 TYR H H 13 7.994 7.975 0.019 1
1 64 . 14 1 1 A 13 13 TYR HA H 13 4.574 4.607 -0.033 1
1 71 . 14 1 1 A 13 13 TYR C C 13 176.237 177.389 -1.152 1
1 72 . 14 1 1 A 13 13 TYR CA C 13 57.866 60.465 -2.599 1
1 73 . 14 1 1 A 13 13 TYR CB C 13 38.013 38.685 -0.672 1
1 78 . 14 1 1 A 13 13 TYR N N 13 118.352 116.110 2.242 1
1 79 . 14 1 1 A 14 14 LYS H H 14 7.727 6.726 1.001 1
1 80 . 14 1 1 A 14 14 LYS HA H 14 4.131 3.953 0.178 1
1 88 . 14 1 1 A 14 14 LYS C C 14 176.626 178.327 -1.701 1
1 89 . 14 1 1 A 14 14 LYS CA C 14 57.704 59.737 -2.033 1
1 90 . 14 1 1 A 14 14 LYS CB C 14 33.154 32.022 1.132 1
1 94 . 14 1 1 A 14 14 LYS N N 14 121.585 121.637 -0.052 1
1 95 . 14 1 1 A 15 15 ASP H H 15 8.374 7.981 0.393 1
1 96 . 14 1 1 A 15 15 ASP HA H 15 4.620 4.232 0.388 1
1 99 . 14 1 1 A 15 15 ASP C C 15 174.125 178.391 -4.266 1
1 100 . 14 1 1 A 15 15 ASP CA C 15 54.763 57.356 -2.593 1
1 101 . 14 1 1 A 15 15 ASP CB C 15 40.533 41.508 -0.975 1
1 102 . 14 1 1 A 15 15 ASP N N 15 119.870 119.055 0.815 1
1 103 . 14 1 1 A 16 16 HIS H H 16 8.034 7.988 0.046 1
1 104 . 14 1 1 A 16 16 HIS HA H 16 4.419 4.286 0.133 1
1 109 . 14 1 1 A 16 16 HIS CA C 16 58.742 59.160 -0.418 1
1 110 . 14 1 1 A 16 16 HIS CB C 16 30.675 29.904 0.771 1
1 113 . 14 1 1 A 16 16 HIS N N 16 124.264 118.345 5.919 1
1 114 . 14 1 1 A 17 17 MET H H 17 8.049 7.961 0.088 1
1 115 . 14 1 1 A 17 17 MET HA H 17 4.160 4.045 0.115 1
1 123 . 14 1 1 A 17 17 MET CA C 17 57.275 58.133 -0.858 1
1 124 . 14 1 1 A 17 17 MET CB C 17 31.055 33.480 -2.425 1
1 127 . 14 1 1 A 17 17 MET N N 17 117.829 118.022 -0.193 1
1 128 . 14 1 1 A 18 18 SER HA H 18 4.134 4.117 0.017 1
1 131 . 14 1 1 A 18 18 SER C C 18 176.941 176.303 0.638 1
1 132 . 14 1 1 A 18 18 SER CA C 18 61.889 62.560 -0.671 1
1 133 . 14 1 1 A 18 18 SER CB C 18 62.424 62.545 -0.121 1
1 134 . 14 1 1 A 19 19 VAL H H 19 7.568 7.921 -0.353 1
1 135 . 14 1 1 A 19 19 VAL HA H 19 3.809 3.500 0.309 1
1 143 . 14 1 1 A 19 19 VAL C C 19 177.913 177.491 0.422 1
1 144 . 14 1 1 A 19 19 VAL CA C 19 65.637 65.158 0.479 1
1 145 . 14 1 1 A 19 19 VAL CB C 19 31.737 31.476 0.261 1
1 148 . 14 1 1 A 19 19 VAL N N 19 122.341 120.522 1.819 1
1 149 . 14 1 1 A 20 20 LEU H H 20 7.788 7.977 -0.189 1
1 150 . 14 1 1 A 20 20 LEU HA H 20 3.940 3.946 -0.006 1
1 160 . 14 1 1 A 20 20 LEU C C 20 178.520 179.062 -0.542 1
1 161 . 14 1 1 A 20 20 LEU CA C 20 58.336 57.622 0.714 1
1 162 . 14 1 1 A 20 20 LEU CB C 20 39.138 40.713 -1.575 1
1 166 . 14 1 1 A 20 20 LEU N N 20 120.156 121.243 -1.087 1
1 167 . 14 1 1 A 21 21 LYS H H 21 8.067 8.328 -0.261 1
1 168 . 14 1 1 A 21 21 LYS HA H 21 4.047 4.380 -0.333 1
1 175 . 14 1 1 A 21 21 LYS C C 21 179.102 179.004 0.098 1
1 176 . 14 1 1 A 21 21 LYS CA C 21 60.667 59.170 1.497 1
1 177 . 14 1 1 A 21 21 LYS CB C 21 32.519 31.840 0.679 1
1 181 . 14 1 1 A 21 21 LYS N N 21 117.374 117.553 -0.179 1
1 182 . 14 1 1 A 22 22 ALA H H 22 7.718 7.960 -0.242 1
1 183 . 14 1 1 A 22 22 ALA HA H 22 4.217 4.117 0.100 1
1 187 . 14 1 1 A 22 22 ALA C C 22 180.486 179.229 1.257 1
1 188 . 14 1 1 A 22 22 ALA CA C 22 54.954 54.931 0.023 1
1 189 . 14 1 1 A 22 22 ALA CB C 22 17.934 18.082 -0.148 1
1 190 . 14 1 1 A 22 22 ALA N N 22 122.528 122.244 0.284 1
1 191 . 14 1 1 A 23 23 TYR H H 23 8.036 7.358 0.678 1
1 192 . 14 1 1 A 23 23 TYR HA H 23 4.291 4.370 -0.079 1
1 199 . 14 1 1 A 23 23 TYR C C 23 178.860 178.372 0.488 1
1 200 . 14 1 1 A 23 23 TYR CA C 23 62.616 61.678 0.938 1
1 201 . 14 1 1 A 23 23 TYR CB C 23 38.455 38.240 0.215 1
1 206 . 14 1 1 A 23 23 TYR N N 23 117.835 115.875 1.960 1
1 207 . 14 1 1 A 24 24 TYR H H 24 8.856 8.195 0.661 1
1 208 . 14 1 1 A 24 24 TYR HA H 24 4.420 4.840 -0.420 1
1 215 . 14 1 1 A 24 24 TYR C C 24 175.484 177.194 -1.710 1
1 216 . 14 1 1 A 24 24 TYR CA C 24 61.291 61.982 -0.691 1
1 217 . 14 1 1 A 24 24 TYR CB C 24 38.629 38.853 -0.224 1
1 222 . 14 1 1 A 24 24 TYR N N 24 122.534 120.532 2.002 1
1 223 . 14 1 1 A 25 25 ALA H H 25 7.616 8.432 -0.816 1
1 224 . 14 1 1 A 25 25 ALA HA H 25 4.084 4.206 -0.122 1
1 228 . 14 1 1 A 25 25 ALA C C 25 179.224 180.075 -0.851 1
1 229 . 14 1 1 A 25 25 ALA CA C 25 53.893 55.469 -1.576 1
1 230 . 14 1 1 A 25 25 ALA CB C 25 18.433 18.774 -0.341 1
1 231 . 14 1 1 A 25 25 ALA N N 25 116.147 121.636 -5.489 1
1 232 . 14 1 1 A 26 26 MET H H 26 7.379 7.688 -0.309 1
1 233 . 14 1 1 A 26 26 MET HA H 26 4.353 4.497 -0.144 1
1 241 . 14 1 1 A 26 26 MET C C 26 176.529 176.121 0.408 1
1 242 . 14 1 1 A 26 26 MET CA C 26 56.724 58.489 -1.765 1
1 243 . 14 1 1 A 26 26 MET CB C 26 33.645 33.773 -0.128 1
1 246 . 14 1 1 A 26 26 MET N N 26 114.990 116.021 -1.031 1
1 247 . 14 1 1 A 27 27 ASN H H 27 7.865 8.081 -0.216 1
1 248 . 14 1 1 A 27 27 ASN HA H 27 4.562 4.966 -0.404 1
1 253 . 14 1 1 A 27 27 ASN C C 27 173.323 175.524 -2.201 1
1 254 . 14 1 1 A 27 27 ASN CA C 27 53.143 51.685 1.458 1
1 255 . 14 1 1 A 27 27 ASN CB C 27 38.096 40.039 -1.943 1
1 256 . 14 1 1 A 27 27 ASN N N 27 117.385 116.686 0.699 1
1 258 . 14 1 1 A 28 28 MET H H 28 8.400 8.513 -0.113 1
1 259 . 14 1 1 A 28 28 MET HA H 28 4.064 3.947 0.117 1
1 267 . 14 1 1 A 28 28 MET C C 28 175.557 176.183 -0.626 1
1 268 . 14 1 1 A 28 28 MET CA C 28 57.419 58.460 -1.041 1
1 269 . 14 1 1 A 28 28 MET CB C 28 33.795 33.084 0.711 1
1 272 . 14 1 1 A 28 28 MET N N 28 121.660 123.688 -2.028 1
1 273 . 14 1 1 A 29 29 GLU H H 29 7.821 8.101 -0.280 1
1 274 . 14 1 1 A 29 29 GLU HA H 29 4.757 4.514 0.243 1
1 279 . 14 1 1 A 29 29 GLU C C 29 172.328 173.510 -1.182 1
1 280 . 14 1 1 A 29 29 GLU CA C 29 53.293 52.954 0.339 1
1 281 . 14 1 1 A 29 29 GLU CB C 29 30.761 30.202 0.559 1
1 283 . 14 1 1 A 29 29 GLU N N 29 116.541 119.081 -2.540 1
1 284 . 14 1 1 A 30 30 PRO HA H 30 4.475 4.434 0.041 1
1 291 . 14 1 1 A 30 30 PRO C C 30 177.014 176.282 0.732 1
1 292 . 14 1 1 A 30 30 PRO CA C 30 62.603 62.293 0.310 1
1 293 . 14 1 1 A 30 30 PRO CB C 30 31.915 32.356 -0.441 1
1 296 . 14 1 1 A 31 31 ASN H H 31 8.909 8.311 0.598 1
1 297 . 14 1 1 A 31 31 ASN HA H 31 4.673 4.929 -0.256 1
1 302 . 14 1 1 A 31 31 ASN C C 31 175.460 176.725 -1.265 1
1 303 . 14 1 1 A 31 31 ASN CA C 31 51.303 51.558 -0.255 1
1 304 . 14 1 1 A 31 31 ASN CB C 31 38.261 40.146 -1.885 1
1 305 . 14 1 1 A 31 31 ASN N N 31 120.499 119.308 1.191 1
1 307 . 14 1 1 A 32 32 SER H H 32 8.486 9.038 -0.552 1
1 308 . 14 1 1 A 32 32 SER HA H 32 4.024 4.051 -0.027 1
1 311 . 14 1 1 A 32 32 SER C C 32 176.650 176.228 0.422 1
1 312 . 14 1 1 A 32 32 SER CA C 32 62.621 61.879 0.742 1
1 313 . 14 1 1 A 32 32 SER CB C 32 62.675 62.815 -0.140 1
1 314 . 14 1 1 A 32 32 SER N N 32 112.460 115.845 -3.385 1
1 315 . 14 1 1 A 33 33 ASP H H 33 7.935 8.272 -0.337 1
1 316 . 14 1 1 A 33 33 ASP HA H 33 4.441 4.271 0.170 1
1 319 . 14 1 1 A 33 33 ASP C C 33 178.811 178.990 -0.179 1
1 320 . 14 1 1 A 33 33 ASP CA C 33 57.456 57.322 0.134 1
1 321 . 14 1 1 A 33 33 ASP CB C 33 40.870 40.145 0.725 1
1 322 . 14 1 1 A 33 33 ASP N N 33 122.575 122.355 0.220 1
1 323 . 14 1 1 A 34 34 GLU H H 34 8.442 8.117 0.325 1
1 324 . 14 1 1 A 34 34 GLU HA H 34 3.898 3.913 -0.015 1
1 329 . 14 1 1 A 34 34 GLU C C 34 179.127 178.938 0.189 1
1 330 . 14 1 1 A 34 34 GLU CA C 34 59.041 59.193 -0.152 1
1 331 . 14 1 1 A 34 34 GLU CB C 34 29.854 29.418 0.436 1
1 333 . 14 1 1 A 34 34 GLU N N 34 121.743 119.712 2.031 1
1 334 . 14 1 1 A 35 35 LEU H H 35 8.723 8.201 0.522 1
1 335 . 14 1 1 A 35 35 LEU HA H 35 3.735 3.695 0.040 1
1 345 . 14 1 1 A 35 35 LEU C C 35 179.321 178.732 0.589 1
1 346 . 14 1 1 A 35 35 LEU CA C 35 58.118 57.878 0.240 1
1 347 . 14 1 1 A 35 35 LEU CB C 35 42.428 41.585 0.843 1
1 351 . 14 1 1 A 35 35 LEU N N 35 119.674 120.810 -1.136 1
1 352 . 14 1 1 A 36 36 LEU H H 36 7.651 7.854 -0.203 1
1 353 . 14 1 1 A 36 36 LEU HA H 36 4.039 3.912 0.127 1
1 363 . 14 1 1 A 36 36 LEU C C 36 178.908 178.444 0.464 1
1 364 . 14 1 1 A 36 36 LEU CA C 36 58.414 58.805 -0.391 1
1 365 . 14 1 1 A 36 36 LEU CB C 36 41.040 41.965 -0.925 1
1 369 . 14 1 1 A 36 36 LEU N N 36 121.058 120.028 1.030 1
1 370 . 14 1 1 A 37 37 LYS H H 37 7.704 7.623 0.081 1
1 371 . 14 1 1 A 37 37 LYS HA H 37 3.874 3.915 -0.041 1
1 379 . 14 1 1 A 37 37 LYS C C 37 180.025 179.023 1.002 1
1 380 . 14 1 1 A 37 37 LYS CA C 37 60.345 59.260 1.085 1
1 381 . 14 1 1 A 37 37 LYS CB C 37 32.327 32.245 0.082 1
1 385 . 14 1 1 A 37 37 LYS N N 37 119.032 117.707 1.325 1
1 386 . 14 1 1 A 38 38 ILE H H 38 8.413 8.160 0.253 1
1 387 . 14 1 1 A 38 38 ILE HA H 38 3.296 3.471 -0.175 1
1 397 . 14 1 1 A 38 38 ILE C C 38 177.063 177.947 -0.884 1
1 398 . 14 1 1 A 38 38 ILE CA C 38 65.479 65.180 0.299 1
1 399 . 14 1 1 A 38 38 ILE CB C 38 38.384 37.755 0.629 1
1 403 . 14 1 1 A 38 38 ILE N N 38 120.466 121.323 -0.857 1
1 404 . 14 1 1 A 39 39 SER H H 39 8.183 8.094 0.089 1
1 405 . 14 1 1 A 39 39 SER HA H 39 4.047 4.361 -0.314 1
1 408 . 14 1 1 A 39 39 SER C C 39 176.359 177.325 -0.966 1
1 409 . 14 1 1 A 39 39 SER CA C 39 62.620 60.840 1.780 1
1 410 . 14 1 1 A 39 39 SER CB C 39 62.548 62.897 -0.349 1
1 411 . 14 1 1 A 39 39 SER N N 39 115.371 114.185 1.186 1
1 412 . 14 1 1 A 40 40 ILE H H 40 7.983 7.861 0.122 1
1 413 . 14 1 1 A 40 40 ILE HA H 40 3.785 3.779 0.006 1
1 423 . 14 1 1 A 40 40 ILE C C 40 178.714 177.973 0.741 1
1 424 . 14 1 1 A 40 40 ILE CA C 40 64.307 64.939 -0.632 1
1 425 . 14 1 1 A 40 40 ILE CB C 40 38.440 37.969 0.471 1
1 429 . 14 1 1 A 40 40 ILE N N 40 121.913 122.341 -0.428 1
1 430 . 14 1 1 A 41 41 ALA H H 41 7.886 8.862 -0.976 1
1 431 . 14 1 1 A 41 41 ALA HA H 41 4.157 4.037 0.120 1
1 435 . 14 1 1 A 41 41 ALA C C 41 180.147 179.456 0.691 1
1 436 . 14 1 1 A 41 41 ALA CA C 41 55.268 55.268 0.000 1
1 437 . 14 1 1 A 41 41 ALA CB C 41 18.646 18.590 0.056 1
1 438 . 14 1 1 A 41 41 ALA N N 41 122.775 122.111 0.664 1
1 439 . 14 1 1 A 42 42 VAL H H 42 8.268 7.606 0.662 1
1 440 . 14 1 1 A 42 42 VAL HA H 42 4.352 4.023 0.329 1
1 448 . 14 1 1 A 42 42 VAL C C 42 175.849 177.155 -1.306 1
1 449 . 14 1 1 A 42 42 VAL CA C 42 61.352 62.917 -1.565 1
1 450 . 14 1 1 A 42 42 VAL CB C 42 32.632 33.119 -0.487 1
1 453 . 14 1 1 A 42 42 VAL N N 42 108.944 110.546 -1.602 1
1 454 . 14 1 1 A 43 43 GLY H H 43 7.837 8.149 -0.312 1
1 455 . 14 1 1 A 43 43 GLY HA2 H 43 3.937 3.963 -0.026 1
1 456 . 14 1 1 A 43 43 GLY HA3 H 43 3.852 3.980 -0.128 1
1 457 . 14 1 1 A 43 43 GLY C C 43 174.392 174.383 0.009 1
1 458 . 14 1 1 A 43 43 GLY CA C 43 46.770 45.392 1.378 1
1 459 . 14 1 1 A 43 43 GLY N N 43 110.644 112.593 -1.949 1
1 460 . 14 1 1 A 44 44 LEU H H 44 7.483 8.092 -0.609 1
1 461 . 14 1 1 A 44 44 LEU HA H 44 4.833 4.667 0.166 1
1 471 . 14 1 1 A 44 44 LEU C C 44 173.348 174.717 -1.369 1
1 472 . 14 1 1 A 44 44 LEU CA C 44 51.178 52.471 -1.293 1
1 473 . 14 1 1 A 44 44 LEU CB C 44 45.096 41.828 3.268 1
1 477 . 14 1 1 A 44 44 LEU N N 44 118.486 121.560 -3.074 1
1 478 . 14 1 1 A 45 45 PRO HA H 45 4.447 4.731 -0.284 1
1 485 . 14 1 1 A 45 45 PRO C C 45 178.301 177.883 0.418 1
1 486 . 14 1 1 A 45 45 PRO CA C 45 62.740 63.053 -0.313 1
1 487 . 14 1 1 A 45 45 PRO CB C 45 32.626 31.716 0.910 1
1 490 . 14 1 1 A 46 46 GLN H H 46 9.200 9.003 0.197 1
1 491 . 14 1 1 A 46 46 GLN HA H 46 4.007 4.025 -0.018 1
1 498 . 14 1 1 A 46 46 GLN C C 46 177.718 177.787 -0.069 1
1 499 . 14 1 1 A 46 46 GLN CA C 46 60.099 59.197 0.902 1
1 500 . 14 1 1 A 46 46 GLN CB C 46 28.371 28.745 -0.374 1
1 502 . 14 1 1 A 46 46 GLN N N 46 125.692 124.477 1.215 1
1 504 . 14 1 1 A 47 47 GLU H H 47 9.618 8.448 1.170 1
1 505 . 14 1 1 A 47 47 GLU HA H 47 4.036 4.125 -0.089 1
1 510 . 14 1 1 A 47 47 GLU C C 47 178.860 178.944 -0.084 1
1 511 . 14 1 1 A 47 47 GLU CA C 47 60.029 59.460 0.569 1
1 512 . 14 1 1 A 47 47 GLU CB C 47 28.746 29.737 -0.991 1
1 514 . 14 1 1 A 47 47 GLU N N 47 117.907 119.076 -1.169 1
1 515 . 14 1 1 A 48 48 PHE H H 48 7.194 8.177 -0.983 1
1 516 . 14 1 1 A 48 48 PHE HA H 48 4.385 4.243 0.142 1
1 524 . 14 1 1 A 48 48 PHE C C 48 177.524 177.507 0.017 1
1 525 . 14 1 1 A 48 48 PHE CA C 48 60.699 61.306 -0.607 1
1 526 . 14 1 1 A 48 48 PHE CB C 48 39.190 39.156 0.034 1
1 532 . 14 1 1 A 48 48 PHE N N 48 119.141 121.773 -2.632 1
1 533 . 14 1 1 A 49 49 VAL H H 49 7.761 8.308 -0.547 1
1 534 . 14 1 1 A 49 49 VAL HA H 49 3.509 3.669 -0.160 1
1 542 . 14 1 1 A 49 49 VAL C C 49 177.306 178.065 -0.759 1
1 543 . 14 1 1 A 49 49 VAL CA C 49 67.242 66.955 0.287 1
1 544 . 14 1 1 A 49 49 VAL CB C 49 31.844 31.773 0.071 1
1 547 . 14 1 1 A 49 49 VAL N N 49 120.478 119.640 0.838 1
1 548 . 14 1 1 A 50 50 LYS H H 50 8.751 8.284 0.467 1
1 549 . 14 1 1 A 50 50 LYS HA H 50 4.023 4.014 0.009 1
1 557 . 14 1 1 A 50 50 LYS C C 50 178.593 178.962 -0.369 1
1 558 . 14 1 1 A 50 50 LYS CA C 50 60.274 60.057 0.217 1
1 559 . 14 1 1 A 50 50 LYS CB C 50 32.821 32.568 0.253 1
1 563 . 14 1 1 A 50 50 LYS N N 50 119.513 120.283 -0.770 1
1 564 . 14 1 1 A 51 51 GLU H H 51 7.636 7.954 -0.318 1
1 565 . 14 1 1 A 51 51 GLU HA H 51 4.110 4.098 0.012 1
1 570 . 14 1 1 A 51 51 GLU C C 51 177.791 179.184 -1.393 1
1 571 . 14 1 1 A 51 51 GLU CA C 51 59.253 59.401 -0.148 1
1 572 . 14 1 1 A 51 51 GLU CB C 51 29.442 29.419 0.023 1
1 574 . 14 1 1 A 51 51 GLU N N 51 118.681 117.502 1.179 1
1 575 . 14 1 1 A 52 52 TRP H H 52 8.396 7.773 0.623 1
1 576 . 14 1 1 A 52 52 TRP HA H 52 3.794 4.253 -0.459 1
1 585 . 14 1 1 A 52 52 TRP C C 52 179.709 178.125 1.584 1
1 586 . 14 1 1 A 52 52 TRP CA C 52 62.688 60.760 1.928 1
1 587 . 14 1 1 A 52 52 TRP CB C 52 28.806 29.460 -0.654 1
1 593 . 14 1 1 A 52 52 TRP N N 52 121.740 122.286 -0.546 1
1 595 . 14 1 1 A 53 53 PHE H H 53 8.602 8.016 0.586 1
1 596 . 14 1 1 A 53 53 PHE HA H 53 3.899 4.518 -0.619 1
1 604 . 14 1 1 A 53 53 PHE C C 53 179.297 178.429 0.868 1
1 605 . 14 1 1 A 53 53 PHE CA C 53 63.414 61.514 1.900 1
1 606 . 14 1 1 A 53 53 PHE CB C 53 39.480 39.441 0.039 1
1 612 . 14 1 1 A 53 53 PHE N N 53 117.648 116.720 0.928 1
1 613 . 14 1 1 A 54 54 GLU H H 54 8.372 8.304 0.068 1
1 614 . 14 1 1 A 54 54 GLU HA H 54 4.070 3.977 0.093 1
1 619 . 14 1 1 A 54 54 GLU C C 54 179.540 179.325 0.215 1
1 620 . 14 1 1 A 54 54 GLU CA C 54 59.676 59.902 -0.226 1
1 621 . 14 1 1 A 54 54 GLU CB C 54 29.448 29.191 0.257 1
1 623 . 14 1 1 A 54 54 GLU N N 54 120.198 118.891 1.307 1
1 624 . 14 1 1 A 55 55 GLN H H 55 8.275 8.278 -0.003 1
1 625 . 14 1 1 A 55 55 GLN HA H 55 3.975 3.924 0.051 1
1 632 . 14 1 1 A 55 55 GLN C C 55 177.913 178.898 -0.985 1
1 633 . 14 1 1 A 55 55 GLN CA C 55 57.773 59.540 -1.767 1
1 634 . 14 1 1 A 55 55 GLN CB C 55 28.075 28.158 -0.083 1
1 636 . 14 1 1 A 55 55 GLN N N 55 117.674 119.154 -1.480 1
1 638 . 14 1 1 A 56 56 ARG H H 56 7.413 8.246 -0.833 1
1 639 . 14 1 1 A 56 56 ARG HA H 56 3.727 4.027 -0.300 1
1 646 . 14 1 1 A 56 56 ARG C C 56 177.670 179.194 -1.524 1
1 647 . 14 1 1 A 56 56 ARG CA C 56 57.278 59.871 -2.593 1
1 648 . 14 1 1 A 56 56 ARG CB C 56 29.564 29.936 -0.372 1
1 651 . 14 1 1 A 56 56 ARG N N 56 119.111 119.503 -0.392 1
1 652 . 14 1 1 A 57 57 LYS H H 57 7.468 8.190 -0.722 1
1 653 . 14 1 1 A 57 57 LYS HA H 57 4.215 4.225 -0.010 1
1 662 . 14 1 1 A 57 57 LYS C C 57 177.937 179.260 -1.323 1
1 663 . 14 1 1 A 57 57 LYS CA C 57 58.454 59.548 -1.094 1
1 664 . 14 1 1 A 57 57 LYS CB C 57 32.656 32.567 0.089 1
1 668 . 14 1 1 A 57 57 LYS N N 57 118.984 119.989 -1.005 1
1 669 . 14 1 1 A 58 58 VAL H H 58 7.564 7.930 -0.366 1
1 670 . 14 1 1 A 58 58 VAL HA H 58 3.866 3.616 0.250 1
1 678 . 14 1 1 A 58 58 VAL C C 58 177.306 177.015 0.291 1
1 679 . 14 1 1 A 58 58 VAL CA C 58 64.013 66.120 -2.107 1
1 680 . 14 1 1 A 58 58 VAL CB C 58 32.128 31.335 0.793 1
1 683 . 14 1 1 A 58 58 VAL N N 58 118.037 120.191 -2.154 1
1 684 . 14 1 1 A 59 59 TYR H H 59 7.871 6.988 0.883 1
1 685 . 14 1 1 A 59 59 TYR HA H 59 4.381 4.267 0.114 1
1 692 . 14 1 1 A 59 59 TYR C C 59 176.577 178.794 -2.217 1
1 693 . 14 1 1 A 59 59 TYR CA C 59 59.112 61.005 -1.893 1
1 694 . 14 1 1 A 59 59 TYR CB C 59 38.382 38.437 -0.055 1
1 699 . 14 1 1 A 59 59 TYR N N 59 121.466 118.228 3.238 1
1 700 . 14 1 1 A 60 60 GLN H H 60 8.074 8.667 -0.593 1
1 701 . 14 1 1 A 60 60 GLN HA H 60 4.103 4.011 0.092 1
1 708 . 14 1 1 A 60 60 GLN C C 60 176.334 177.186 -0.852 1
1 709 . 14 1 1 A 60 60 GLN CA C 60 56.820 58.689 -1.869 1
1 710 . 14 1 1 A 60 60 GLN CB C 60 29.003 28.445 0.558 1
1 712 . 14 1 1 A 60 60 GLN N N 60 120.517 119.099 1.418 1
1 714 . 14 1 1 A 61 61 TYR H H 61 8.001 7.994 0.007 1
1 715 . 14 1 1 A 61 61 TYR HA H 61 4.544 4.560 -0.016 1
1 722 . 14 1 1 A 61 61 TYR C C 61 176.456 175.893 0.563 1
1 723 . 14 1 1 A 61 61 TYR CA C 61 58.442 59.035 -0.593 1
1 724 . 14 1 1 A 61 61 TYR CB C 61 38.408 40.143 -1.735 1
1 729 . 14 1 1 A 61 61 TYR N N 61 119.641 116.005 3.636 1
1 730 . 14 1 1 A 62 62 SER H H 62 8.071 8.024 0.047 1
1 731 . 14 1 1 A 62 62 SER HA H 62 4.371 4.559 -0.188 1
1 734 . 14 1 1 A 62 62 SER C C 62 174.440 174.512 -0.072 1
1 735 . 14 1 1 A 62 62 SER CA C 62 58.830 57.253 1.577 1
1 736 . 14 1 1 A 62 62 SER CB C 62 63.806 64.133 -0.327 1
1 737 . 14 1 1 A 62 62 SER N N 62 116.272 113.799 2.473 1
1 738 . 14 1 1 A 63 63 ASN HA H 63 4.737 4.690 0.047 1
1 743 . 14 1 1 A 63 63 ASN CA C 63 50.823 56.076 -5.253 1
1 744 . 14 1 1 A 63 63 ASN CB C 63 38.920 38.947 -0.027 1
1 746 . 14 1 1 A 64 64 SER HA H 64 4.407 4.303 0.104 1
1 749 . 14 1 1 A 64 64 SER C C 64 174.610 174.173 0.437 1
1 750 . 14 1 1 A 64 64 SER CA C 64 58.794 60.380 -1.586 1
1 751 . 14 1 1 A 64 64 SER CB C 64 63.727 63.621 0.106 1
1 752 . 14 1 1 A 65 65 ARG H H 65 8.263 8.780 -0.517 1
1 753 . 14 1 1 A 65 65 ARG HA H 65 4.405 5.027 -0.622 1
1 760 . 14 1 1 A 65 65 ARG C C 65 176.310 174.274 2.036 1
1 761 . 14 1 1 A 65 65 ARG CA C 65 56.185 53.995 2.190 1
1 762 . 14 1 1 A 65 65 ARG CB C 65 30.643 34.149 -3.506 1
1 765 . 14 1 1 A 65 65 ARG N N 65 122.520 126.530 -4.010 1
1 766 . 14 1 1 A 66 66 SER H H 66 8.253 8.781 -0.528 1
1 767 . 14 1 1 A 66 66 SER HA H 66 4.507 5.133 -0.626 1
1 770 . 14 1 1 A 66 66 SER C C 66 174.489 174.302 0.187 1
1 771 . 14 1 1 A 66 66 SER CA C 66 58.320 57.254 1.066 1
1 772 . 14 1 1 A 66 66 SER CB C 66 63.974 65.389 -1.415 1
1 773 . 14 1 1 A 66 66 SER N N 66 116.498 120.783 -4.285 1
1 774 . 14 1 1 A 67 67 GLY H H 67 8.201 8.669 -0.468 1
1 775 . 14 1 1 A 67 67 GLY HA2 H 67 4.113 4.043 0.070 1
1 776 . 14 1 1 A 67 67 GLY C C 67 171.769 173.392 -1.623 1
1 777 . 14 1 1 A 67 67 GLY CA C 67 44.689 44.538 0.151 1
1 778 . 14 1 1 A 67 67 GLY N N 67 110.648 111.386 -0.738 1
1 781 . 14 1 1 A 69 69 SER HA H 69 4.481 4.563 -0.082 1
1 784 . 14 1 1 A 69 69 SER C C 69 174.659 175.657 -0.998 1
1 785 . 14 1 1 A 69 69 SER CA C 69 58.371 58.766 -0.395 1
1 786 . 14 1 1 A 69 69 SER CB C 69 63.645 64.187 -0.542 1
1 787 . 14 1 1 A 70 70 SER H H 70 8.303 8.648 -0.345 1
1 788 . 14 1 1 A 70 70 SER HA H 70 4.473 4.192 0.281 1
1 791 . 14 1 1 A 70 70 SER C C 70 173.930 174.664 -0.734 1
1 792 . 14 1 1 A 70 70 SER CA C 70 58.406 61.375 -2.969 1
1 793 . 14 1 1 A 70 70 SER CB C 70 64.057 63.025 1.032 1
1 794 . 14 1 1 A 70 70 SER N N 70 117.757 117.555 0.202 1
1 1 . 15 1 1 A 7 7 GLY HA2 H 7 3.980 4.242 -0.262 1
1 2 . 15 1 1 A 7 7 GLY HA3 H 7 3.980 4.242 -0.262 1
1 3 . 15 1 1 A 7 7 GLY C C 7 173.809 174.203 -0.394 1
1 4 . 15 1 1 A 7 7 GLY CA C 7 45.148 46.175 -1.027 1
1 5 . 15 1 1 A 8 8 SER H H 8 8.167 8.347 -0.180 1
1 6 . 15 1 1 A 8 8 SER C C 8 172.741 174.962 -2.221 1
1 7 . 15 1 1 A 8 8 SER CA C 8 56.432 63.355 -6.923 1
1 8 . 15 1 1 A 8 8 SER CB C 8 63.397 61.564 1.833 1
1 9 . 15 1 1 A 8 8 SER N N 8 116.986 117.599 -0.613 1
1 10 . 15 1 1 A 9 9 PRO HA H 9 4.471 4.492 -0.021 1
1 17 . 15 1 1 A 9 9 PRO C C 9 176.771 176.524 0.247 1
1 18 . 15 1 1 A 9 9 PRO CA C 9 63.244 62.864 0.380 1
1 19 . 15 1 1 A 9 9 PRO CB C 9 32.121 31.834 0.287 1
1 22 . 15 1 1 A 10 10 ILE H H 10 8.173 8.508 -0.335 1
1 23 . 15 1 1 A 10 10 ILE HA H 10 4.084 4.369 -0.285 1
1 33 . 15 1 1 A 10 10 ILE C C 10 175.703 175.539 0.164 1
1 34 . 15 1 1 A 10 10 ILE CA C 10 61.051 60.777 0.274 1
1 35 . 15 1 1 A 10 10 ILE CB C 10 38.806 38.509 0.297 1
1 39 . 15 1 1 A 10 10 ILE N N 10 120.782 123.990 -3.208 1
1 40 . 15 1 1 A 11 11 ASN H H 11 8.538 8.841 -0.303 1
1 41 . 15 1 1 A 11 11 ASN HA H 11 4.992 5.221 -0.229 1
1 46 . 15 1 1 A 11 11 ASN C C 11 173.785 174.745 -0.960 1
1 47 . 15 1 1 A 11 11 ASN CA C 11 50.794 49.427 1.367 1
1 48 . 15 1 1 A 11 11 ASN CB C 11 39.063 39.311 -0.248 1
1 49 . 15 1 1 A 11 11 ASN N N 11 123.456 125.889 -2.433 1
1 51 . 15 1 1 A 12 12 PRO HA H 12 4.328 4.335 -0.007 1
1 58 . 15 1 1 A 12 12 PRO C C 12 176.674 177.582 -0.908 1
1 59 . 15 1 1 A 12 12 PRO CA C 12 63.616 65.276 -1.660 1
1 60 . 15 1 1 A 12 12 PRO CB C 12 31.997 31.873 0.124 1
1 63 . 15 1 1 A 13 13 TYR H H 13 7.994 7.965 0.029 1
1 64 . 15 1 1 A 13 13 TYR HA H 13 4.574 4.761 -0.187 1
1 71 . 15 1 1 A 13 13 TYR C C 13 176.237 177.766 -1.529 1
1 72 . 15 1 1 A 13 13 TYR CA C 13 57.866 58.776 -0.910 1
1 73 . 15 1 1 A 13 13 TYR CB C 13 38.013 39.779 -1.766 1
1 78 . 15 1 1 A 13 13 TYR N N 13 118.352 116.063 2.289 1
1 79 . 15 1 1 A 14 14 LYS H H 14 7.727 7.423 0.304 1
1 80 . 15 1 1 A 14 14 LYS HA H 14 4.131 3.667 0.464 1
1 88 . 15 1 1 A 14 14 LYS C C 14 176.626 178.279 -1.653 1
1 89 . 15 1 1 A 14 14 LYS CA C 14 57.704 59.172 -1.468 1
1 90 . 15 1 1 A 14 14 LYS CB C 14 33.154 31.866 1.288 1
1 94 . 15 1 1 A 14 14 LYS N N 14 121.585 122.208 -0.623 1
1 95 . 15 1 1 A 15 15 ASP H H 15 8.374 8.034 0.340 1
1 96 . 15 1 1 A 15 15 ASP HA H 15 4.620 4.225 0.395 1
1 99 . 15 1 1 A 15 15 ASP C C 15 174.125 178.592 -4.467 1
1 100 . 15 1 1 A 15 15 ASP CA C 15 54.763 57.336 -2.573 1
1 101 . 15 1 1 A 15 15 ASP CB C 15 40.533 41.167 -0.634 1
1 102 . 15 1 1 A 15 15 ASP N N 15 119.870 119.566 0.304 1
1 103 . 15 1 1 A 16 16 HIS H H 16 8.034 7.994 0.040 1
1 104 . 15 1 1 A 16 16 HIS HA H 16 4.419 4.318 0.101 1
1 109 . 15 1 1 A 16 16 HIS CA C 16 58.742 59.171 -0.429 1
1 110 . 15 1 1 A 16 16 HIS CB C 16 30.675 29.638 1.037 1
1 113 . 15 1 1 A 16 16 HIS N N 16 124.264 117.971 6.293 1
1 114 . 15 1 1 A 17 17 MET H H 17 8.049 8.297 -0.248 1
1 115 . 15 1 1 A 17 17 MET HA H 17 4.160 4.055 0.105 1
1 123 . 15 1 1 A 17 17 MET CA C 17 57.275 57.846 -0.571 1
1 124 . 15 1 1 A 17 17 MET CB C 17 31.055 33.383 -2.328 1
1 127 . 15 1 1 A 17 17 MET N N 17 117.829 118.131 -0.302 1
1 128 . 15 1 1 A 18 18 SER HA H 18 4.134 4.090 0.044 1
1 131 . 15 1 1 A 18 18 SER C C 18 176.941 176.351 0.590 1
1 132 . 15 1 1 A 18 18 SER CA C 18 61.889 62.261 -0.372 1
1 133 . 15 1 1 A 18 18 SER CB C 18 62.424 62.586 -0.162 1
1 134 . 15 1 1 A 19 19 VAL H H 19 7.568 8.178 -0.610 1
1 135 . 15 1 1 A 19 19 VAL HA H 19 3.809 3.548 0.261 1
1 143 . 15 1 1 A 19 19 VAL C C 19 177.913 177.557 0.356 1
1 144 . 15 1 1 A 19 19 VAL CA C 19 65.637 65.320 0.317 1
1 145 . 15 1 1 A 19 19 VAL CB C 19 31.737 31.238 0.499 1
1 148 . 15 1 1 A 19 19 VAL N N 19 122.341 119.951 2.390 1
1 149 . 15 1 1 A 20 20 LEU H H 20 7.788 8.090 -0.302 1
1 150 . 15 1 1 A 20 20 LEU HA H 20 3.940 4.105 -0.165 1
1 160 . 15 1 1 A 20 20 LEU C C 20 178.520 179.007 -0.487 1
1 161 . 15 1 1 A 20 20 LEU CA C 20 58.336 57.730 0.606 1
1 162 . 15 1 1 A 20 20 LEU CB C 20 39.138 40.982 -1.844 1
1 166 . 15 1 1 A 20 20 LEU N N 20 120.156 121.047 -0.891 1
1 167 . 15 1 1 A 21 21 LYS H H 21 8.067 7.873 0.194 1
1 168 . 15 1 1 A 21 21 LYS HA H 21 4.047 4.369 -0.322 1
1 175 . 15 1 1 A 21 21 LYS C C 21 179.102 179.203 -0.101 1
1 176 . 15 1 1 A 21 21 LYS CA C 21 60.667 59.010 1.657 1
1 177 . 15 1 1 A 21 21 LYS CB C 21 32.519 32.092 0.427 1
1 181 . 15 1 1 A 21 21 LYS N N 21 117.374 117.171 0.203 1
1 182 . 15 1 1 A 22 22 ALA H H 22 7.718 8.098 -0.380 1
1 183 . 15 1 1 A 22 22 ALA HA H 22 4.217 4.113 0.104 1
1 187 . 15 1 1 A 22 22 ALA C C 22 180.486 179.486 1.000 1
1 188 . 15 1 1 A 22 22 ALA CA C 22 54.954 54.891 0.063 1
1 189 . 15 1 1 A 22 22 ALA CB C 22 17.934 18.156 -0.222 1
1 190 . 15 1 1 A 22 22 ALA N N 22 122.528 122.353 0.175 1
1 191 . 15 1 1 A 23 23 TYR H H 23 8.036 7.311 0.725 1
1 192 . 15 1 1 A 23 23 TYR HA H 23 4.291 4.307 -0.016 1
1 199 . 15 1 1 A 23 23 TYR C C 23 178.860 178.432 0.428 1
1 200 . 15 1 1 A 23 23 TYR CA C 23 62.616 61.576 1.040 1
1 201 . 15 1 1 A 23 23 TYR CB C 23 38.455 38.510 -0.055 1
1 206 . 15 1 1 A 23 23 TYR N N 23 117.835 116.515 1.320 1
1 207 . 15 1 1 A 24 24 TYR H H 24 8.856 8.235 0.621 1
1 208 . 15 1 1 A 24 24 TYR HA H 24 4.420 4.917 -0.497 1
1 215 . 15 1 1 A 24 24 TYR C C 24 175.484 177.032 -1.548 1
1 216 . 15 1 1 A 24 24 TYR CA C 24 61.291 62.147 -0.856 1
1 217 . 15 1 1 A 24 24 TYR CB C 24 38.629 38.753 -0.124 1
1 222 . 15 1 1 A 24 24 TYR N N 24 122.534 120.562 1.972 1
1 223 . 15 1 1 A 25 25 ALA H H 25 7.616 8.258 -0.642 1
1 224 . 15 1 1 A 25 25 ALA HA H 25 4.084 4.210 -0.126 1
1 228 . 15 1 1 A 25 25 ALA C C 25 179.224 180.013 -0.789 1
1 229 . 15 1 1 A 25 25 ALA CA C 25 53.893 55.447 -1.554 1
1 230 . 15 1 1 A 25 25 ALA CB C 25 18.433 18.730 -0.297 1
1 231 . 15 1 1 A 25 25 ALA N N 25 116.147 121.677 -5.530 1
1 232 . 15 1 1 A 26 26 MET H H 26 7.379 7.749 -0.370 1
1 233 . 15 1 1 A 26 26 MET HA H 26 4.353 4.351 0.002 1
1 241 . 15 1 1 A 26 26 MET C C 26 176.529 176.402 0.127 1
1 242 . 15 1 1 A 26 26 MET CA C 26 56.724 57.740 -1.016 1
1 243 . 15 1 1 A 26 26 MET CB C 26 33.645 33.122 0.523 1
1 246 . 15 1 1 A 26 26 MET N N 26 114.990 116.540 -1.550 1
1 247 . 15 1 1 A 27 27 ASN H H 27 7.865 7.973 -0.108 1
1 248 . 15 1 1 A 27 27 ASN HA H 27 4.562 5.046 -0.484 1
1 253 . 15 1 1 A 27 27 ASN C C 27 173.323 175.504 -2.181 1
1 254 . 15 1 1 A 27 27 ASN CA C 27 53.143 51.791 1.352 1
1 255 . 15 1 1 A 27 27 ASN CB C 27 38.096 40.778 -2.682 1
1 256 . 15 1 1 A 27 27 ASN N N 27 117.385 116.615 0.770 1
1 258 . 15 1 1 A 28 28 MET H H 28 8.400 8.495 -0.095 1
1 259 . 15 1 1 A 28 28 MET HA H 28 4.064 3.885 0.179 1
1 267 . 15 1 1 A 28 28 MET C C 28 175.557 176.207 -0.650 1
1 268 . 15 1 1 A 28 28 MET CA C 28 57.419 58.217 -0.798 1
1 269 . 15 1 1 A 28 28 MET CB C 28 33.795 32.760 1.035 1
1 272 . 15 1 1 A 28 28 MET N N 28 121.660 123.697 -2.037 1
1 273 . 15 1 1 A 29 29 GLU H H 29 7.821 8.124 -0.303 1
1 274 . 15 1 1 A 29 29 GLU HA H 29 4.757 4.482 0.275 1
1 279 . 15 1 1 A 29 29 GLU C C 29 172.328 173.306 -0.978 1
1 280 . 15 1 1 A 29 29 GLU CA C 29 53.293 53.027 0.266 1
1 281 . 15 1 1 A 29 29 GLU CB C 29 30.761 30.194 0.567 1
1 283 . 15 1 1 A 29 29 GLU N N 29 116.541 118.592 -2.051 1
1 284 . 15 1 1 A 30 30 PRO HA H 30 4.475 4.492 -0.017 1
1 291 . 15 1 1 A 30 30 PRO C C 30 177.014 176.112 0.902 1
1 292 . 15 1 1 A 30 30 PRO CA C 30 62.603 62.375 0.228 1
1 293 . 15 1 1 A 30 30 PRO CB C 30 31.915 32.413 -0.498 1
1 296 . 15 1 1 A 31 31 ASN H H 31 8.909 8.337 0.572 1
1 297 . 15 1 1 A 31 31 ASN HA H 31 4.673 4.935 -0.262 1
1 302 . 15 1 1 A 31 31 ASN C C 31 175.460 175.938 -0.478 1
1 303 . 15 1 1 A 31 31 ASN CA C 31 51.303 51.191 0.112 1
1 304 . 15 1 1 A 31 31 ASN CB C 31 38.261 40.851 -2.590 1
1 305 . 15 1 1 A 31 31 ASN N N 31 120.499 119.224 1.275 1
1 307 . 15 1 1 A 32 32 SER H H 32 8.486 8.943 -0.457 1
1 308 . 15 1 1 A 32 32 SER HA H 32 4.024 4.038 -0.014 1
1 311 . 15 1 1 A 32 32 SER C C 32 176.650 176.305 0.345 1
1 312 . 15 1 1 A 32 32 SER CA C 32 62.621 61.612 1.009 1
1 313 . 15 1 1 A 32 32 SER CB C 32 62.675 62.918 -0.243 1
1 314 . 15 1 1 A 32 32 SER N N 32 112.460 115.894 -3.434 1
1 315 . 15 1 1 A 33 33 ASP H H 33 7.935 8.251 -0.316 1
1 316 . 15 1 1 A 33 33 ASP HA H 33 4.441 4.274 0.167 1
1 319 . 15 1 1 A 33 33 ASP C C 33 178.811 178.928 -0.117 1
1 320 . 15 1 1 A 33 33 ASP CA C 33 57.456 57.578 -0.122 1
1 321 . 15 1 1 A 33 33 ASP CB C 33 40.870 40.219 0.651 1
1 322 . 15 1 1 A 33 33 ASP N N 33 122.575 122.021 0.554 1
1 323 . 15 1 1 A 34 34 GLU H H 34 8.442 7.845 0.597 1
1 324 . 15 1 1 A 34 34 GLU HA H 34 3.898 3.959 -0.061 1
1 329 . 15 1 1 A 34 34 GLU C C 34 179.127 178.959 0.168 1
1 330 . 15 1 1 A 34 34 GLU CA C 34 59.041 59.202 -0.161 1
1 331 . 15 1 1 A 34 34 GLU CB C 34 29.854 29.437 0.417 1
1 333 . 15 1 1 A 34 34 GLU N N 34 121.743 119.181 2.562 1
1 334 . 15 1 1 A 35 35 LEU H H 35 8.723 8.425 0.298 1
1 335 . 15 1 1 A 35 35 LEU HA H 35 3.735 3.749 -0.014 1
1 345 . 15 1 1 A 35 35 LEU C C 35 179.321 178.991 0.330 1
1 346 . 15 1 1 A 35 35 LEU CA C 35 58.118 57.931 0.187 1
1 347 . 15 1 1 A 35 35 LEU CB C 35 42.428 41.602 0.826 1
1 351 . 15 1 1 A 35 35 LEU N N 35 119.674 120.637 -0.963 1
1 352 . 15 1 1 A 36 36 LEU H H 36 7.651 8.185 -0.534 1
1 353 . 15 1 1 A 36 36 LEU HA H 36 4.039 3.952 0.087 1
1 363 . 15 1 1 A 36 36 LEU C C 36 178.908 178.592 0.316 1
1 364 . 15 1 1 A 36 36 LEU CA C 36 58.414 58.498 -0.084 1
1 365 . 15 1 1 A 36 36 LEU CB C 36 41.040 41.869 -0.829 1
1 369 . 15 1 1 A 36 36 LEU N N 36 121.058 120.089 0.969 1
1 370 . 15 1 1 A 37 37 LYS H H 37 7.704 7.645 0.059 1
1 371 . 15 1 1 A 37 37 LYS HA H 37 3.874 3.959 -0.085 1
1 379 . 15 1 1 A 37 37 LYS C C 37 180.025 179.172 0.853 1
1 380 . 15 1 1 A 37 37 LYS CA C 37 60.345 59.503 0.842 1
1 381 . 15 1 1 A 37 37 LYS CB C 37 32.327 32.577 -0.250 1
1 385 . 15 1 1 A 37 37 LYS N N 37 119.032 118.007 1.025 1
1 386 . 15 1 1 A 38 38 ILE H H 38 8.413 8.393 0.020 1
1 387 . 15 1 1 A 38 38 ILE HA H 38 3.296 3.210 0.086 1
1 397 . 15 1 1 A 38 38 ILE C C 38 177.063 177.630 -0.567 1
1 398 . 15 1 1 A 38 38 ILE CA C 38 65.479 65.159 0.320 1
1 399 . 15 1 1 A 38 38 ILE CB C 38 38.384 37.638 0.746 1
1 403 . 15 1 1 A 38 38 ILE N N 38 120.466 120.935 -0.469 1
1 404 . 15 1 1 A 39 39 SER H H 39 8.183 8.078 0.105 1
1 405 . 15 1 1 A 39 39 SER HA H 39 4.047 4.375 -0.328 1
1 408 . 15 1 1 A 39 39 SER C C 39 176.359 177.490 -1.131 1
1 409 . 15 1 1 A 39 39 SER CA C 39 62.620 60.871 1.749 1
1 410 . 15 1 1 A 39 39 SER CB C 39 62.548 62.978 -0.430 1
1 411 . 15 1 1 A 39 39 SER N N 39 115.371 113.774 1.597 1
1 412 . 15 1 1 A 40 40 ILE H H 40 7.983 7.728 0.255 1
1 413 . 15 1 1 A 40 40 ILE HA H 40 3.785 3.745 0.040 1
1 423 . 15 1 1 A 40 40 ILE C C 40 178.714 177.928 0.786 1
1 424 . 15 1 1 A 40 40 ILE CA C 40 64.307 65.312 -1.005 1
1 425 . 15 1 1 A 40 40 ILE CB C 40 38.440 37.806 0.634 1
1 429 . 15 1 1 A 40 40 ILE N N 40 121.913 122.330 -0.417 1
1 430 . 15 1 1 A 41 41 ALA H H 41 7.886 8.845 -0.959 1
1 431 . 15 1 1 A 41 41 ALA HA H 41 4.157 4.002 0.155 1
1 435 . 15 1 1 A 41 41 ALA C C 41 180.147 179.768 0.379 1
1 436 . 15 1 1 A 41 41 ALA CA C 41 55.268 55.428 -0.160 1
1 437 . 15 1 1 A 41 41 ALA CB C 41 18.646 18.655 -0.009 1
1 438 . 15 1 1 A 41 41 ALA N N 41 122.775 122.113 0.662 1
1 439 . 15 1 1 A 42 42 VAL H H 42 8.268 7.623 0.645 1
1 440 . 15 1 1 A 42 42 VAL HA H 42 4.352 4.048 0.304 1
1 448 . 15 1 1 A 42 42 VAL C C 42 175.849 177.105 -1.256 1
1 449 . 15 1 1 A 42 42 VAL CA C 42 61.352 63.370 -2.018 1
1 450 . 15 1 1 A 42 42 VAL CB C 42 32.632 33.199 -0.567 1
1 453 . 15 1 1 A 42 42 VAL N N 42 108.944 110.489 -1.545 1
1 454 . 15 1 1 A 43 43 GLY H H 43 7.837 8.029 -0.192 1
1 455 . 15 1 1 A 43 43 GLY HA2 H 43 3.937 3.973 -0.036 1
1 456 . 15 1 1 A 43 43 GLY HA3 H 43 3.852 3.987 -0.135 1
1 457 . 15 1 1 A 43 43 GLY C C 43 174.392 174.185 0.207 1
1 458 . 15 1 1 A 43 43 GLY CA C 43 46.770 44.959 1.811 1
1 459 . 15 1 1 A 43 43 GLY N N 43 110.644 112.365 -1.721 1
1 460 . 15 1 1 A 44 44 LEU H H 44 7.483 7.547 -0.064 1
1 461 . 15 1 1 A 44 44 LEU HA H 44 4.833 4.581 0.252 1
1 471 . 15 1 1 A 44 44 LEU C C 44 173.348 174.769 -1.421 1
1 472 . 15 1 1 A 44 44 LEU CA C 44 51.178 52.778 -1.600 1
1 473 . 15 1 1 A 44 44 LEU CB C 44 45.096 41.200 3.896 1
1 477 . 15 1 1 A 44 44 LEU N N 44 118.486 122.404 -3.918 1
1 478 . 15 1 1 A 45 45 PRO HA H 45 4.447 4.702 -0.255 1
1 485 . 15 1 1 A 45 45 PRO C C 45 178.301 177.881 0.420 1
1 486 . 15 1 1 A 45 45 PRO CA C 45 62.740 63.045 -0.305 1
1 487 . 15 1 1 A 45 45 PRO CB C 45 32.626 31.726 0.900 1
1 490 . 15 1 1 A 46 46 GLN H H 46 9.200 9.003 0.197 1
1 491 . 15 1 1 A 46 46 GLN HA H 46 4.007 4.014 -0.007 1
1 498 . 15 1 1 A 46 46 GLN C C 46 177.718 177.804 -0.086 1
1 499 . 15 1 1 A 46 46 GLN CA C 46 60.099 59.197 0.902 1
1 500 . 15 1 1 A 46 46 GLN CB C 46 28.371 28.710 -0.339 1
1 502 . 15 1 1 A 46 46 GLN N N 46 125.692 124.775 0.917 1
1 504 . 15 1 1 A 47 47 GLU H H 47 9.618 8.602 1.016 1
1 505 . 15 1 1 A 47 47 GLU HA H 47 4.036 4.089 -0.053 1
1 510 . 15 1 1 A 47 47 GLU C C 47 178.860 179.010 -0.150 1
1 511 . 15 1 1 A 47 47 GLU CA C 47 60.029 59.467 0.562 1
1 512 . 15 1 1 A 47 47 GLU CB C 47 28.746 29.572 -0.826 1
1 514 . 15 1 1 A 47 47 GLU N N 47 117.907 118.555 -0.648 1
1 515 . 15 1 1 A 48 48 PHE H H 48 7.194 8.253 -1.059 1
1 516 . 15 1 1 A 48 48 PHE HA H 48 4.385 4.278 0.107 1
1 524 . 15 1 1 A 48 48 PHE C C 48 177.524 177.278 0.246 1
1 525 . 15 1 1 A 48 48 PHE CA C 48 60.699 61.322 -0.623 1
1 526 . 15 1 1 A 48 48 PHE CB C 48 39.190 39.358 -0.168 1
1 532 . 15 1 1 A 48 48 PHE N N 48 119.141 121.464 -2.323 1
1 533 . 15 1 1 A 49 49 VAL H H 49 7.761 8.110 -0.349 1
1 534 . 15 1 1 A 49 49 VAL HA H 49 3.509 3.844 -0.335 1
1 542 . 15 1 1 A 49 49 VAL C C 49 177.306 178.357 -1.051 1
1 543 . 15 1 1 A 49 49 VAL CA C 49 67.242 66.987 0.255 1
1 544 . 15 1 1 A 49 49 VAL CB C 49 31.844 31.688 0.156 1
1 547 . 15 1 1 A 49 49 VAL N N 49 120.478 119.482 0.996 1
1 548 . 15 1 1 A 50 50 LYS H H 50 8.751 8.034 0.717 1
1 549 . 15 1 1 A 50 50 LYS HA H 50 4.023 4.034 -0.011 1
1 557 . 15 1 1 A 50 50 LYS C C 50 178.593 178.489 0.104 1
1 558 . 15 1 1 A 50 50 LYS CA C 50 60.274 59.856 0.418 1
1 559 . 15 1 1 A 50 50 LYS CB C 50 32.821 32.363 0.458 1
1 563 . 15 1 1 A 50 50 LYS N N 50 119.513 120.225 -0.712 1
1 564 . 15 1 1 A 51 51 GLU H H 51 7.636 7.832 -0.196 1
1 565 . 15 1 1 A 51 51 GLU HA H 51 4.110 4.025 0.085 1
1 570 . 15 1 1 A 51 51 GLU C C 51 177.791 179.095 -1.304 1
1 571 . 15 1 1 A 51 51 GLU CA C 51 59.253 59.420 -0.167 1
1 572 . 15 1 1 A 51 51 GLU CB C 51 29.442 29.404 0.038 1
1 574 . 15 1 1 A 51 51 GLU N N 51 118.681 117.524 1.157 1
1 575 . 15 1 1 A 52 52 TRP H H 52 8.396 7.597 0.799 1
1 576 . 15 1 1 A 52 52 TRP HA H 52 3.794 4.323 -0.529 1
1 585 . 15 1 1 A 52 52 TRP C C 52 179.709 178.407 1.302 1
1 586 . 15 1 1 A 52 52 TRP CA C 52 62.688 60.825 1.863 1
1 587 . 15 1 1 A 52 52 TRP CB C 52 28.806 30.156 -1.350 1
1 593 . 15 1 1 A 52 52 TRP N N 52 121.740 121.977 -0.237 1
1 595 . 15 1 1 A 53 53 PHE H H 53 8.602 8.524 0.078 1
1 596 . 15 1 1 A 53 53 PHE HA H 53 3.899 4.109 -0.210 1
1 604 . 15 1 1 A 53 53 PHE C C 53 179.297 178.247 1.050 1
1 605 . 15 1 1 A 53 53 PHE CA C 53 63.414 62.314 1.100 1
1 606 . 15 1 1 A 53 53 PHE CB C 53 39.480 38.547 0.933 1
1 612 . 15 1 1 A 53 53 PHE N N 53 117.648 117.655 -0.007 1
1 613 . 15 1 1 A 54 54 GLU H H 54 8.372 8.388 -0.016 1
1 614 . 15 1 1 A 54 54 GLU HA H 54 4.070 3.943 0.127 1
1 619 . 15 1 1 A 54 54 GLU C C 54 179.540 179.290 0.250 1
1 620 . 15 1 1 A 54 54 GLU CA C 54 59.676 59.861 -0.185 1
1 621 . 15 1 1 A 54 54 GLU CB C 54 29.448 29.128 0.320 1
1 623 . 15 1 1 A 54 54 GLU N N 54 120.198 118.645 1.553 1
1 624 . 15 1 1 A 55 55 GLN H H 55 8.275 8.220 0.055 1
1 625 . 15 1 1 A 55 55 GLN HA H 55 3.975 3.892 0.083 1
1 632 . 15 1 1 A 55 55 GLN C C 55 177.913 178.422 -0.509 1
1 633 . 15 1 1 A 55 55 GLN CA C 55 57.773 59.330 -1.557 1
1 634 . 15 1 1 A 55 55 GLN CB C 55 28.075 28.052 0.023 1
1 636 . 15 1 1 A 55 55 GLN N N 55 117.674 118.925 -1.251 1
1 638 . 15 1 1 A 56 56 ARG H H 56 7.413 7.268 0.145 1
1 639 . 15 1 1 A 56 56 ARG HA H 56 3.727 4.003 -0.276 1
1 646 . 15 1 1 A 56 56 ARG C C 56 177.670 178.997 -1.327 1
1 647 . 15 1 1 A 56 56 ARG CA C 56 57.278 59.258 -1.980 1
1 648 . 15 1 1 A 56 56 ARG CB C 56 29.564 29.679 -0.115 1
1 651 . 15 1 1 A 56 56 ARG N N 56 119.111 121.040 -1.929 1
1 652 . 15 1 1 A 57 57 LYS H H 57 7.468 7.893 -0.425 1
1 653 . 15 1 1 A 57 57 LYS HA H 57 4.215 4.207 0.008 1
1 662 . 15 1 1 A 57 57 LYS C C 57 177.937 178.978 -1.041 1
1 663 . 15 1 1 A 57 57 LYS CA C 57 58.454 59.436 -0.982 1
1 664 . 15 1 1 A 57 57 LYS CB C 57 32.656 32.620 0.036 1
1 668 . 15 1 1 A 57 57 LYS N N 57 118.984 118.120 0.864 1
1 669 . 15 1 1 A 58 58 VAL H H 58 7.564 7.901 -0.337 1
1 670 . 15 1 1 A 58 58 VAL HA H 58 3.866 3.594 0.272 1
1 678 . 15 1 1 A 58 58 VAL C C 58 177.306 177.119 0.187 1
1 679 . 15 1 1 A 58 58 VAL CA C 58 64.013 66.167 -2.154 1
1 680 . 15 1 1 A 58 58 VAL CB C 58 32.128 31.344 0.784 1
1 683 . 15 1 1 A 58 58 VAL N N 58 118.037 120.497 -2.460 1
1 684 . 15 1 1 A 59 59 TYR H H 59 7.871 6.998 0.873 1
1 685 . 15 1 1 A 59 59 TYR HA H 59 4.381 4.208 0.173 1
1 692 . 15 1 1 A 59 59 TYR C C 59 176.577 178.529 -1.952 1
1 693 . 15 1 1 A 59 59 TYR CA C 59 59.112 61.152 -2.040 1
1 694 . 15 1 1 A 59 59 TYR CB C 59 38.382 37.919 0.463 1
1 699 . 15 1 1 A 59 59 TYR N N 59 121.466 118.216 3.250 1
1 700 . 15 1 1 A 60 60 GLN H H 60 8.074 8.534 -0.460 1
1 701 . 15 1 1 A 60 60 GLN HA H 60 4.103 3.989 0.114 1
1 708 . 15 1 1 A 60 60 GLN C C 60 176.334 177.369 -1.035 1
1 709 . 15 1 1 A 60 60 GLN CA C 60 56.820 58.763 -1.943 1
1 710 . 15 1 1 A 60 60 GLN CB C 60 29.003 28.260 0.743 1
1 712 . 15 1 1 A 60 60 GLN N N 60 120.517 119.099 1.418 1
1 714 . 15 1 1 A 61 61 TYR H H 61 8.001 7.856 0.145 1
1 715 . 15 1 1 A 61 61 TYR HA H 61 4.544 4.506 0.038 1
1 722 . 15 1 1 A 61 61 TYR C C 61 176.456 175.930 0.526 1
1 723 . 15 1 1 A 61 61 TYR CA C 61 58.442 59.200 -0.758 1
1 724 . 15 1 1 A 61 61 TYR CB C 61 38.408 39.743 -1.335 1
1 729 . 15 1 1 A 61 61 TYR N N 61 119.641 116.251 3.390 1
1 730 . 15 1 1 A 62 62 SER H H 62 8.071 8.004 0.067 1
1 731 . 15 1 1 A 62 62 SER HA H 62 4.371 4.562 -0.191 1
1 734 . 15 1 1 A 62 62 SER C C 62 174.440 174.204 0.236 1
1 735 . 15 1 1 A 62 62 SER CA C 62 58.830 59.305 -0.475 1
1 736 . 15 1 1 A 62 62 SER CB C 62 63.806 63.674 0.132 1
1 737 . 15 1 1 A 62 62 SER N N 62 116.272 115.485 0.787 1
1 738 . 15 1 1 A 63 63 ASN HA H 63 4.737 5.114 -0.377 1
1 743 . 15 1 1 A 63 63 ASN CA C 63 50.823 51.758 -0.935 1
1 744 . 15 1 1 A 63 63 ASN CB C 63 38.920 39.784 -0.864 1
1 746 . 15 1 1 A 64 64 SER HA H 64 4.407 4.620 -0.213 1
1 749 . 15 1 1 A 64 64 SER C C 64 174.610 174.520 0.090 1
1 750 . 15 1 1 A 64 64 SER CA C 64 58.794 60.209 -1.415 1
1 751 . 15 1 1 A 64 64 SER CB C 64 63.727 64.246 -0.519 1
1 752 . 15 1 1 A 65 65 ARG H H 65 8.263 7.737 0.526 1
1 753 . 15 1 1 A 65 65 ARG HA H 65 4.405 4.286 0.119 1
1 760 . 15 1 1 A 65 65 ARG C C 65 176.310 176.636 -0.326 1
1 761 . 15 1 1 A 65 65 ARG CA C 65 56.185 56.617 -0.432 1
1 762 . 15 1 1 A 65 65 ARG CB C 65 30.643 30.964 -0.321 1
1 765 . 15 1 1 A 65 65 ARG N N 65 122.520 120.367 2.153 1
1 766 . 15 1 1 A 66 66 SER H H 66 8.253 9.076 -0.823 1
1 767 . 15 1 1 A 66 66 SER HA H 66 4.507 4.268 0.239 1
1 770 . 15 1 1 A 66 66 SER C C 66 174.489 175.234 -0.745 1
1 771 . 15 1 1 A 66 66 SER CA C 66 58.320 60.617 -2.297 1
1 772 . 15 1 1 A 66 66 SER CB C 66 63.974 63.584 0.390 1
1 773 . 15 1 1 A 66 66 SER N N 66 116.498 121.743 -5.245 1
1 774 . 15 1 1 A 67 67 GLY H H 67 8.201 7.895 0.306 1
1 775 . 15 1 1 A 67 67 GLY HA2 H 67 4.113 4.074 0.039 1
1 776 . 15 1 1 A 67 67 GLY C C 67 171.769 173.760 -1.991 1
1 777 . 15 1 1 A 67 67 GLY CA C 67 44.689 44.314 0.375 1
1 778 . 15 1 1 A 67 67 GLY N N 67 110.648 107.118 3.530 1
1 781 . 15 1 1 A 69 69 SER HA H 69 4.481 4.306 0.175 1
1 784 . 15 1 1 A 69 69 SER C C 69 174.659 175.228 -0.569 1
1 785 . 15 1 1 A 69 69 SER CA C 69 58.371 58.854 -0.483 1
1 786 . 15 1 1 A 69 69 SER CB C 69 63.645 63.689 -0.044 1
1 787 . 15 1 1 A 70 70 SER H H 70 8.303 8.918 -0.615 1
1 788 . 15 1 1 A 70 70 SER HA H 70 4.473 4.193 0.280 1
1 791 . 15 1 1 A 70 70 SER C C 70 173.930 173.484 0.446 1
1 792 . 15 1 1 A 70 70 SER CA C 70 58.406 59.080 -0.674 1
1 793 . 15 1 1 A 70 70 SER CB C 70 64.057 61.047 3.010 1
1 794 . 15 1 1 A 70 70 SER N N 70 117.757 121.172 -3.415 1
1 1 . 16 1 1 A 7 7 GLY HA2 H 7 3.980 4.043 -0.063 1
1 2 . 16 1 1 A 7 7 GLY HA3 H 7 3.980 4.048 -0.068 1
1 3 . 16 1 1 A 7 7 GLY C C 7 173.809 175.759 -1.950 1
1 4 . 16 1 1 A 7 7 GLY CA C 7 45.148 45.892 -0.744 1
1 5 . 16 1 1 A 8 8 SER H H 8 8.167 8.586 -0.419 1
1 6 . 16 1 1 A 8 8 SER C C 8 172.741 174.929 -2.188 1
1 7 . 16 1 1 A 8 8 SER CA C 8 56.432 63.334 -6.902 1
1 8 . 16 1 1 A 8 8 SER CB C 8 63.397 62.262 1.135 1
1 9 . 16 1 1 A 8 8 SER N N 8 116.986 118.816 -1.830 1
1 10 . 16 1 1 A 9 9 PRO HA H 9 4.471 4.601 -0.130 1
1 17 . 16 1 1 A 9 9 PRO C C 9 176.771 175.400 1.371 1
1 18 . 16 1 1 A 9 9 PRO CA C 9 63.244 62.274 0.970 1
1 19 . 16 1 1 A 9 9 PRO CB C 9 32.121 32.945 -0.824 1
1 22 . 16 1 1 A 10 10 ILE H H 10 8.173 8.373 -0.200 1
1 23 . 16 1 1 A 10 10 ILE HA H 10 4.084 4.752 -0.668 1
1 33 . 16 1 1 A 10 10 ILE C C 10 175.703 174.748 0.955 1
1 34 . 16 1 1 A 10 10 ILE CA C 10 61.051 59.538 1.513 1
1 35 . 16 1 1 A 10 10 ILE CB C 10 38.806 40.771 -1.965 1
1 39 . 16 1 1 A 10 10 ILE N N 10 120.782 120.711 0.071 1
1 40 . 16 1 1 A 11 11 ASN H H 11 8.538 8.860 -0.322 1
1 41 . 16 1 1 A 11 11 ASN HA H 11 4.992 5.196 -0.204 1
1 46 . 16 1 1 A 11 11 ASN C C 11 173.785 174.942 -1.157 1
1 47 . 16 1 1 A 11 11 ASN CA C 11 50.794 49.367 1.427 1
1 48 . 16 1 1 A 11 11 ASN CB C 11 39.063 39.142 -0.079 1
1 49 . 16 1 1 A 11 11 ASN N N 11 123.456 124.978 -1.522 1
1 51 . 16 1 1 A 12 12 PRO HA H 12 4.328 4.333 -0.005 1
1 58 . 16 1 1 A 12 12 PRO C C 12 176.674 177.594 -0.920 1
1 59 . 16 1 1 A 12 12 PRO CA C 12 63.616 65.371 -1.755 1
1 60 . 16 1 1 A 12 12 PRO CB C 12 31.997 31.795 0.202 1
1 63 . 16 1 1 A 13 13 TYR H H 13 7.994 7.753 0.241 1
1 64 . 16 1 1 A 13 13 TYR HA H 13 4.574 4.756 -0.182 1
1 71 . 16 1 1 A 13 13 TYR C C 13 176.237 177.281 -1.044 1
1 72 . 16 1 1 A 13 13 TYR CA C 13 57.866 58.461 -0.595 1
1 73 . 16 1 1 A 13 13 TYR CB C 13 38.013 39.983 -1.970 1
1 78 . 16 1 1 A 13 13 TYR N N 13 118.352 116.061 2.291 1
1 79 . 16 1 1 A 14 14 LYS H H 14 7.727 7.458 0.269 1
1 80 . 16 1 1 A 14 14 LYS HA H 14 4.131 3.962 0.169 1
1 88 . 16 1 1 A 14 14 LYS C C 14 176.626 178.266 -1.640 1
1 89 . 16 1 1 A 14 14 LYS CA C 14 57.704 59.475 -1.771 1
1 90 . 16 1 1 A 14 14 LYS CB C 14 33.154 32.011 1.143 1
1 94 . 16 1 1 A 14 14 LYS N N 14 121.585 122.042 -0.457 1
1 95 . 16 1 1 A 15 15 ASP H H 15 8.374 8.126 0.248 1
1 96 . 16 1 1 A 15 15 ASP HA H 15 4.620 4.246 0.374 1
1 99 . 16 1 1 A 15 15 ASP C C 15 174.125 178.383 -4.258 1
1 100 . 16 1 1 A 15 15 ASP CA C 15 54.763 57.333 -2.570 1
1 101 . 16 1 1 A 15 15 ASP CB C 15 40.533 41.360 -0.827 1
1 102 . 16 1 1 A 15 15 ASP N N 15 119.870 119.114 0.756 1
1 103 . 16 1 1 A 16 16 HIS H H 16 8.034 8.272 -0.238 1
1 104 . 16 1 1 A 16 16 HIS HA H 16 4.419 4.322 0.097 1
1 109 . 16 1 1 A 16 16 HIS CA C 16 58.742 59.116 -0.374 1
1 110 . 16 1 1 A 16 16 HIS CB C 16 30.675 29.578 1.097 1
1 113 . 16 1 1 A 16 16 HIS N N 16 124.264 118.009 6.255 1
1 114 . 16 1 1 A 17 17 MET H H 17 8.049 8.171 -0.122 1
1 115 . 16 1 1 A 17 17 MET HA H 17 4.160 4.046 0.114 1
1 123 . 16 1 1 A 17 17 MET CA C 17 57.275 58.066 -0.791 1
1 124 . 16 1 1 A 17 17 MET CB C 17 31.055 33.395 -2.340 1
1 127 . 16 1 1 A 17 17 MET N N 17 117.829 117.907 -0.078 1
1 128 . 16 1 1 A 18 18 SER HA H 18 4.134 4.121 0.013 1
1 131 . 16 1 1 A 18 18 SER C C 18 176.941 176.463 0.478 1
1 132 . 16 1 1 A 18 18 SER CA C 18 61.889 62.394 -0.505 1
1 133 . 16 1 1 A 18 18 SER CB C 18 62.424 62.539 -0.115 1
1 134 . 16 1 1 A 19 19 VAL H H 19 7.568 8.176 -0.608 1
1 135 . 16 1 1 A 19 19 VAL HA H 19 3.809 3.561 0.248 1
1 143 . 16 1 1 A 19 19 VAL C C 19 177.913 177.547 0.366 1
1 144 . 16 1 1 A 19 19 VAL CA C 19 65.637 65.403 0.234 1
1 145 . 16 1 1 A 19 19 VAL CB C 19 31.737 31.264 0.473 1
1 148 . 16 1 1 A 19 19 VAL N N 19 122.341 120.232 2.109 1
1 149 . 16 1 1 A 20 20 LEU H H 20 7.788 7.938 -0.150 1
1 150 . 16 1 1 A 20 20 LEU HA H 20 3.940 4.204 -0.264 1
1 160 . 16 1 1 A 20 20 LEU C C 20 178.520 179.439 -0.919 1
1 161 . 16 1 1 A 20 20 LEU CA C 20 58.336 58.009 0.327 1
1 162 . 16 1 1 A 20 20 LEU CB C 20 39.138 41.016 -1.878 1
1 166 . 16 1 1 A 20 20 LEU N N 20 120.156 121.277 -1.121 1
1 167 . 16 1 1 A 21 21 LYS H H 21 8.067 8.265 -0.198 1
1 168 . 16 1 1 A 21 21 LYS HA H 21 4.047 4.391 -0.344 1
1 175 . 16 1 1 A 21 21 LYS C C 21 179.102 179.278 -0.176 1
1 176 . 16 1 1 A 21 21 LYS CA C 21 60.667 59.044 1.623 1
1 177 . 16 1 1 A 21 21 LYS CB C 21 32.519 32.156 0.363 1
1 181 . 16 1 1 A 21 21 LYS N N 21 117.374 118.108 -0.734 1
1 182 . 16 1 1 A 22 22 ALA H H 22 7.718 7.965 -0.247 1
1 183 . 16 1 1 A 22 22 ALA HA H 22 4.217 4.135 0.082 1
1 187 . 16 1 1 A 22 22 ALA C C 22 180.486 179.472 1.014 1
1 188 . 16 1 1 A 22 22 ALA CA C 22 54.954 54.894 0.060 1
1 189 . 16 1 1 A 22 22 ALA CB C 22 17.934 18.308 -0.374 1
1 190 . 16 1 1 A 22 22 ALA N N 22 122.528 122.256 0.272 1
1 191 . 16 1 1 A 23 23 TYR H H 23 8.036 7.296 0.740 1
1 192 . 16 1 1 A 23 23 TYR HA H 23 4.291 4.341 -0.050 1
1 199 . 16 1 1 A 23 23 TYR C C 23 178.860 178.459 0.401 1
1 200 . 16 1 1 A 23 23 TYR CA C 23 62.616 61.560 1.056 1
1 201 . 16 1 1 A 23 23 TYR CB C 23 38.455 38.341 0.114 1
1 206 . 16 1 1 A 23 23 TYR N N 23 117.835 116.162 1.673 1
1 207 . 16 1 1 A 24 24 TYR H H 24 8.856 8.295 0.561 1
1 208 . 16 1 1 A 24 24 TYR HA H 24 4.420 4.925 -0.505 1
1 215 . 16 1 1 A 24 24 TYR C C 24 175.484 176.969 -1.485 1
1 216 . 16 1 1 A 24 24 TYR CA C 24 61.291 62.055 -0.764 1
1 217 . 16 1 1 A 24 24 TYR CB C 24 38.629 38.749 -0.120 1
1 222 . 16 1 1 A 24 24 TYR N N 24 122.534 120.619 1.915 1
1 223 . 16 1 1 A 25 25 ALA H H 25 7.616 8.427 -0.811 1
1 224 . 16 1 1 A 25 25 ALA HA H 25 4.084 4.247 -0.163 1
1 228 . 16 1 1 A 25 25 ALA C C 25 179.224 180.094 -0.870 1
1 229 . 16 1 1 A 25 25 ALA CA C 25 53.893 55.561 -1.668 1
1 230 . 16 1 1 A 25 25 ALA CB C 25 18.433 18.754 -0.321 1
1 231 . 16 1 1 A 25 25 ALA N N 25 116.147 121.691 -5.544 1
1 232 . 16 1 1 A 26 26 MET H H 26 7.379 7.790 -0.411 1
1 233 . 16 1 1 A 26 26 MET HA H 26 4.353 4.410 -0.057 1
1 241 . 16 1 1 A 26 26 MET C C 26 176.529 176.816 -0.287 1
1 242 . 16 1 1 A 26 26 MET CA C 26 56.724 57.528 -0.804 1
1 243 . 16 1 1 A 26 26 MET CB C 26 33.645 33.125 0.520 1
1 246 . 16 1 1 A 26 26 MET N N 26 114.990 116.820 -1.830 1
1 247 . 16 1 1 A 27 27 ASN H H 27 7.865 8.316 -0.451 1
1 248 . 16 1 1 A 27 27 ASN HA H 27 4.562 4.989 -0.427 1
1 253 . 16 1 1 A 27 27 ASN C C 27 173.323 175.469 -2.146 1
1 254 . 16 1 1 A 27 27 ASN CA C 27 53.143 52.547 0.596 1
1 255 . 16 1 1 A 27 27 ASN CB C 27 38.096 40.618 -2.522 1
1 256 . 16 1 1 A 27 27 ASN N N 27 117.385 115.883 1.502 1
1 258 . 16 1 1 A 28 28 MET H H 28 8.400 8.548 -0.148 1
1 259 . 16 1 1 A 28 28 MET HA H 28 4.064 3.095 0.969 1
1 267 . 16 1 1 A 28 28 MET C C 28 175.557 176.119 -0.562 1
1 268 . 16 1 1 A 28 28 MET CA C 28 57.419 57.960 -0.541 1
1 269 . 16 1 1 A 28 28 MET CB C 28 33.795 32.501 1.294 1
1 272 . 16 1 1 A 28 28 MET N N 28 121.660 123.247 -1.587 1
1 273 . 16 1 1 A 29 29 GLU H H 29 7.821 7.756 0.065 1
1 274 . 16 1 1 A 29 29 GLU HA H 29 4.757 4.723 0.034 1
1 279 . 16 1 1 A 29 29 GLU C C 29 172.328 174.995 -2.667 1
1 280 . 16 1 1 A 29 29 GLU CA C 29 53.293 53.735 -0.442 1
1 281 . 16 1 1 A 29 29 GLU CB C 29 30.761 31.057 -0.296 1
1 283 . 16 1 1 A 29 29 GLU N N 29 116.541 114.384 2.157 1
1 284 . 16 1 1 A 30 30 PRO HA H 30 4.475 4.459 0.016 1
1 291 . 16 1 1 A 30 30 PRO C C 30 177.014 176.009 1.005 1
1 292 . 16 1 1 A 30 30 PRO CA C 30 62.603 62.110 0.493 1
1 293 . 16 1 1 A 30 30 PRO CB C 30 31.915 32.639 -0.724 1
1 296 . 16 1 1 A 31 31 ASN H H 31 8.909 8.350 0.559 1
1 297 . 16 1 1 A 31 31 ASN HA H 31 4.673 5.005 -0.332 1
1 302 . 16 1 1 A 31 31 ASN C C 31 175.460 175.909 -0.449 1
1 303 . 16 1 1 A 31 31 ASN CA C 31 51.303 51.405 -0.102 1
1 304 . 16 1 1 A 31 31 ASN CB C 31 38.261 41.280 -3.019 1
1 305 . 16 1 1 A 31 31 ASN N N 31 120.499 118.004 2.495 1
1 307 . 16 1 1 A 32 32 SER H H 32 8.486 9.040 -0.554 1
1 308 . 16 1 1 A 32 32 SER HA H 32 4.024 4.035 -0.011 1
1 311 . 16 1 1 A 32 32 SER C C 32 176.650 176.294 0.356 1
1 312 . 16 1 1 A 32 32 SER CA C 32 62.621 61.728 0.893 1
1 313 . 16 1 1 A 32 32 SER CB C 32 62.675 63.030 -0.355 1
1 314 . 16 1 1 A 32 32 SER N N 32 112.460 116.721 -4.261 1
1 315 . 16 1 1 A 33 33 ASP H H 33 7.935 8.395 -0.460 1
1 316 . 16 1 1 A 33 33 ASP HA H 33 4.441 4.287 0.154 1
1 319 . 16 1 1 A 33 33 ASP C C 33 178.811 179.044 -0.233 1
1 320 . 16 1 1 A 33 33 ASP CA C 33 57.456 57.568 -0.112 1
1 321 . 16 1 1 A 33 33 ASP CB C 33 40.870 40.211 0.659 1
1 322 . 16 1 1 A 33 33 ASP N N 33 122.575 122.052 0.523 1
1 323 . 16 1 1 A 34 34 GLU H H 34 8.442 7.881 0.561 1
1 324 . 16 1 1 A 34 34 GLU HA H 34 3.898 3.942 -0.044 1
1 329 . 16 1 1 A 34 34 GLU C C 34 179.127 178.959 0.168 1
1 330 . 16 1 1 A 34 34 GLU CA C 34 59.041 59.236 -0.195 1
1 331 . 16 1 1 A 34 34 GLU CB C 34 29.854 29.417 0.437 1
1 333 . 16 1 1 A 34 34 GLU N N 34 121.743 119.179 2.564 1
1 334 . 16 1 1 A 35 35 LEU H H 35 8.723 8.480 0.243 1
1 335 . 16 1 1 A 35 35 LEU HA H 35 3.735 3.701 0.034 1
1 345 . 16 1 1 A 35 35 LEU C C 35 179.321 178.787 0.534 1
1 346 . 16 1 1 A 35 35 LEU CA C 35 58.118 57.883 0.235 1
1 347 . 16 1 1 A 35 35 LEU CB C 35 42.428 41.588 0.840 1
1 351 . 16 1 1 A 35 35 LEU N N 35 119.674 120.649 -0.975 1
1 352 . 16 1 1 A 36 36 LEU H H 36 7.651 8.251 -0.600 1
1 353 . 16 1 1 A 36 36 LEU HA H 36 4.039 3.906 0.133 1
1 363 . 16 1 1 A 36 36 LEU C C 36 178.908 178.332 0.576 1
1 364 . 16 1 1 A 36 36 LEU CA C 36 58.414 58.759 -0.345 1
1 365 . 16 1 1 A 36 36 LEU CB C 36 41.040 41.899 -0.859 1
1 369 . 16 1 1 A 36 36 LEU N N 36 121.058 119.844 1.214 1
1 370 . 16 1 1 A 37 37 LYS H H 37 7.704 7.638 0.066 1
1 371 . 16 1 1 A 37 37 LYS HA H 37 3.874 3.909 -0.035 1
1 379 . 16 1 1 A 37 37 LYS C C 37 180.025 179.059 0.966 1
1 380 . 16 1 1 A 37 37 LYS CA C 37 60.345 59.354 0.991 1
1 381 . 16 1 1 A 37 37 LYS CB C 37 32.327 32.322 0.005 1
1 385 . 16 1 1 A 37 37 LYS N N 37 119.032 117.735 1.297 1
1 386 . 16 1 1 A 38 38 ILE H H 38 8.413 8.306 0.107 1
1 387 . 16 1 1 A 38 38 ILE HA H 38 3.296 3.328 -0.032 1
1 397 . 16 1 1 A 38 38 ILE C C 38 177.063 178.069 -1.006 1
1 398 . 16 1 1 A 38 38 ILE CA C 38 65.479 65.117 0.362 1
1 399 . 16 1 1 A 38 38 ILE CB C 38 38.384 37.713 0.671 1
1 403 . 16 1 1 A 38 38 ILE N N 38 120.466 121.294 -0.828 1
1 404 . 16 1 1 A 39 39 SER H H 39 8.183 8.158 0.025 1
1 405 . 16 1 1 A 39 39 SER HA H 39 4.047 4.352 -0.305 1
1 408 . 16 1 1 A 39 39 SER C C 39 176.359 177.679 -1.320 1
1 409 . 16 1 1 A 39 39 SER CA C 39 62.620 61.084 1.536 1
1 410 . 16 1 1 A 39 39 SER CB C 39 62.548 62.818 -0.270 1
1 411 . 16 1 1 A 39 39 SER N N 39 115.371 113.934 1.437 1
1 412 . 16 1 1 A 40 40 ILE H H 40 7.983 7.897 0.086 1
1 413 . 16 1 1 A 40 40 ILE HA H 40 3.785 3.683 0.102 1
1 423 . 16 1 1 A 40 40 ILE C C 40 178.714 177.870 0.844 1
1 424 . 16 1 1 A 40 40 ILE CA C 40 64.307 65.366 -1.059 1
1 425 . 16 1 1 A 40 40 ILE CB C 40 38.440 37.976 0.464 1
1 429 . 16 1 1 A 40 40 ILE N N 40 121.913 123.416 -1.503 1
1 430 . 16 1 1 A 41 41 ALA H H 41 7.886 8.839 -0.953 1
1 431 . 16 1 1 A 41 41 ALA HA H 41 4.157 3.999 0.158 1
1 435 . 16 1 1 A 41 41 ALA C C 41 180.147 179.682 0.465 1
1 436 . 16 1 1 A 41 41 ALA CA C 41 55.268 55.425 -0.157 1
1 437 . 16 1 1 A 41 41 ALA CB C 41 18.646 18.699 -0.053 1
1 438 . 16 1 1 A 41 41 ALA N N 41 122.775 122.179 0.596 1
1 439 . 16 1 1 A 42 42 VAL H H 42 8.268 7.616 0.652 1
1 440 . 16 1 1 A 42 42 VAL HA H 42 4.352 4.036 0.316 1
1 448 . 16 1 1 A 42 42 VAL C C 42 175.849 176.884 -1.035 1
1 449 . 16 1 1 A 42 42 VAL CA C 42 61.352 63.513 -2.161 1
1 450 . 16 1 1 A 42 42 VAL CB C 42 32.632 33.148 -0.516 1
1 453 . 16 1 1 A 42 42 VAL N N 42 108.944 110.525 -1.581 1
1 454 . 16 1 1 A 43 43 GLY H H 43 7.837 8.092 -0.255 1
1 455 . 16 1 1 A 43 43 GLY HA2 H 43 3.937 3.978 -0.041 1
1 456 . 16 1 1 A 43 43 GLY HA3 H 43 3.852 3.980 -0.128 1
1 457 . 16 1 1 A 43 43 GLY C C 43 174.392 174.310 0.082 1
1 458 . 16 1 1 A 43 43 GLY CA C 43 46.770 44.784 1.986 1
1 459 . 16 1 1 A 43 43 GLY N N 43 110.644 111.689 -1.045 1
1 460 . 16 1 1 A 44 44 LEU H H 44 7.483 7.602 -0.119 1
1 461 . 16 1 1 A 44 44 LEU HA H 44 4.833 4.420 0.413 1
1 471 . 16 1 1 A 44 44 LEU C C 44 173.348 174.856 -1.508 1
1 472 . 16 1 1 A 44 44 LEU CA C 44 51.178 53.211 -2.033 1
1 473 . 16 1 1 A 44 44 LEU CB C 44 45.096 41.147 3.949 1
1 477 . 16 1 1 A 44 44 LEU N N 44 118.486 123.177 -4.691 1
1 478 . 16 1 1 A 45 45 PRO HA H 45 4.447 4.709 -0.262 1
1 485 . 16 1 1 A 45 45 PRO C C 45 178.301 177.871 0.430 1
1 486 . 16 1 1 A 45 45 PRO CA C 45 62.740 63.052 -0.312 1
1 487 . 16 1 1 A 45 45 PRO CB C 45 32.626 31.749 0.877 1
1 490 . 16 1 1 A 46 46 GLN H H 46 9.200 8.999 0.201 1
1 491 . 16 1 1 A 46 46 GLN HA H 46 4.007 4.004 0.003 1
1 498 . 16 1 1 A 46 46 GLN C C 46 177.718 177.827 -0.109 1
1 499 . 16 1 1 A 46 46 GLN CA C 46 60.099 59.231 0.868 1
1 500 . 16 1 1 A 46 46 GLN CB C 46 28.371 28.729 -0.358 1
1 502 . 16 1 1 A 46 46 GLN N N 46 125.692 124.516 1.176 1
1 504 . 16 1 1 A 47 47 GLU H H 47 9.618 8.582 1.036 1
1 505 . 16 1 1 A 47 47 GLU HA H 47 4.036 4.069 -0.033 1
1 510 . 16 1 1 A 47 47 GLU C C 47 178.860 178.964 -0.104 1
1 511 . 16 1 1 A 47 47 GLU CA C 47 60.029 59.394 0.635 1
1 512 . 16 1 1 A 47 47 GLU CB C 47 28.746 29.423 -0.677 1
1 514 . 16 1 1 A 47 47 GLU N N 47 117.907 118.427 -0.520 1
1 515 . 16 1 1 A 48 48 PHE H H 48 7.194 8.360 -1.166 1
1 516 . 16 1 1 A 48 48 PHE HA H 48 4.385 4.298 0.087 1
1 524 . 16 1 1 A 48 48 PHE C C 48 177.524 177.399 0.125 1
1 525 . 16 1 1 A 48 48 PHE CA C 48 60.699 61.261 -0.562 1
1 526 . 16 1 1 A 48 48 PHE CB C 48 39.190 39.164 0.026 1
1 532 . 16 1 1 A 48 48 PHE N N 48 119.141 121.163 -2.022 1
1 533 . 16 1 1 A 49 49 VAL H H 49 7.761 8.249 -0.488 1
1 534 . 16 1 1 A 49 49 VAL HA H 49 3.509 3.938 -0.429 1
1 542 . 16 1 1 A 49 49 VAL C C 49 177.306 178.329 -1.023 1
1 543 . 16 1 1 A 49 49 VAL CA C 49 67.242 67.097 0.145 1
1 544 . 16 1 1 A 49 49 VAL CB C 49 31.844 31.813 0.031 1
1 547 . 16 1 1 A 49 49 VAL N N 49 120.478 119.741 0.737 1
1 548 . 16 1 1 A 50 50 LYS H H 50 8.751 8.432 0.319 1
1 549 . 16 1 1 A 50 50 LYS HA H 50 4.023 4.038 -0.015 1
1 557 . 16 1 1 A 50 50 LYS C C 50 178.593 178.771 -0.178 1
1 558 . 16 1 1 A 50 50 LYS CA C 50 60.274 60.032 0.242 1
1 559 . 16 1 1 A 50 50 LYS CB C 50 32.821 32.632 0.189 1
1 563 . 16 1 1 A 50 50 LYS N N 50 119.513 120.153 -0.640 1
1 564 . 16 1 1 A 51 51 GLU H H 51 7.636 7.848 -0.212 1
1 565 . 16 1 1 A 51 51 GLU HA H 51 4.110 4.385 -0.275 1
1 570 . 16 1 1 A 51 51 GLU C C 51 177.791 178.881 -1.090 1
1 571 . 16 1 1 A 51 51 GLU CA C 51 59.253 59.520 -0.267 1
1 572 . 16 1 1 A 51 51 GLU CB C 51 29.442 29.336 0.106 1
1 574 . 16 1 1 A 51 51 GLU N N 51 118.681 117.478 1.203 1
1 575 . 16 1 1 A 52 52 TRP H H 52 8.396 7.839 0.557 1
1 576 . 16 1 1 A 52 52 TRP HA H 52 3.794 4.291 -0.497 1
1 585 . 16 1 1 A 52 52 TRP C C 52 179.709 178.554 1.155 1
1 586 . 16 1 1 A 52 52 TRP CA C 52 62.688 60.706 1.982 1
1 587 . 16 1 1 A 52 52 TRP CB C 52 28.806 29.289 -0.483 1
1 593 . 16 1 1 A 52 52 TRP N N 52 121.740 122.075 -0.335 1
1 595 . 16 1 1 A 53 53 PHE H H 53 8.602 8.187 0.415 1
1 596 . 16 1 1 A 53 53 PHE HA H 53 3.899 4.215 -0.316 1
1 604 . 16 1 1 A 53 53 PHE C C 53 179.297 178.389 0.908 1
1 605 . 16 1 1 A 53 53 PHE CA C 53 63.414 61.811 1.603 1
1 606 . 16 1 1 A 53 53 PHE CB C 53 39.480 38.810 0.670 1
1 612 . 16 1 1 A 53 53 PHE N N 53 117.648 117.320 0.328 1
1 613 . 16 1 1 A 54 54 GLU H H 54 8.372 8.460 -0.088 1
1 614 . 16 1 1 A 54 54 GLU HA H 54 4.070 3.904 0.166 1
1 619 . 16 1 1 A 54 54 GLU C C 54 179.540 178.997 0.543 1
1 620 . 16 1 1 A 54 54 GLU CA C 54 59.676 59.729 -0.053 1
1 621 . 16 1 1 A 54 54 GLU CB C 54 29.448 29.293 0.155 1
1 623 . 16 1 1 A 54 54 GLU N N 54 120.198 118.921 1.277 1
1 624 . 16 1 1 A 55 55 GLN H H 55 8.275 8.477 -0.202 1
1 625 . 16 1 1 A 55 55 GLN HA H 55 3.975 3.735 0.240 1
1 632 . 16 1 1 A 55 55 GLN C C 55 177.913 178.072 -0.159 1
1 633 . 16 1 1 A 55 55 GLN CA C 55 57.773 59.296 -1.523 1
1 634 . 16 1 1 A 55 55 GLN CB C 55 28.075 28.101 -0.026 1
1 636 . 16 1 1 A 55 55 GLN N N 55 117.674 119.360 -1.686 1
1 638 . 16 1 1 A 56 56 ARG H H 56 7.413 7.220 0.193 1
1 639 . 16 1 1 A 56 56 ARG HA H 56 3.727 4.037 -0.310 1
1 646 . 16 1 1 A 56 56 ARG C C 56 177.670 179.086 -1.416 1
1 647 . 16 1 1 A 56 56 ARG CA C 56 57.278 59.182 -1.904 1
1 648 . 16 1 1 A 56 56 ARG CB C 56 29.564 29.799 -0.235 1
1 651 . 16 1 1 A 56 56 ARG N N 56 119.111 120.596 -1.485 1
1 652 . 16 1 1 A 57 57 LYS H H 57 7.468 7.823 -0.355 1
1 653 . 16 1 1 A 57 57 LYS HA H 57 4.215 4.178 0.037 1
1 662 . 16 1 1 A 57 57 LYS C C 57 177.937 179.174 -1.237 1
1 663 . 16 1 1 A 57 57 LYS CA C 57 58.454 59.298 -0.844 1
1 664 . 16 1 1 A 57 57 LYS CB C 57 32.656 32.460 0.196 1
1 668 . 16 1 1 A 57 57 LYS N N 57 118.984 118.336 0.648 1
1 669 . 16 1 1 A 58 58 VAL H H 58 7.564 7.534 0.030 1
1 670 . 16 1 1 A 58 58 VAL HA H 58 3.866 3.594 0.272 1
1 678 . 16 1 1 A 58 58 VAL C C 58 177.306 177.114 0.192 1
1 679 . 16 1 1 A 58 58 VAL CA C 58 64.013 66.035 -2.022 1
1 680 . 16 1 1 A 58 58 VAL CB C 58 32.128 31.393 0.735 1
1 683 . 16 1 1 A 58 58 VAL N N 58 118.037 120.388 -2.351 1
1 684 . 16 1 1 A 59 59 TYR H H 59 7.871 6.417 1.454 1
1 685 . 16 1 1 A 59 59 TYR HA H 59 4.381 4.234 0.147 1
1 692 . 16 1 1 A 59 59 TYR C C 59 176.577 178.638 -2.061 1
1 693 . 16 1 1 A 59 59 TYR CA C 59 59.112 61.030 -1.918 1
1 694 . 16 1 1 A 59 59 TYR CB C 59 38.382 38.129 0.253 1
1 699 . 16 1 1 A 59 59 TYR N N 59 121.466 118.469 2.997 1
1 700 . 16 1 1 A 60 60 GLN H H 60 8.074 8.193 -0.119 1
1 701 . 16 1 1 A 60 60 GLN HA H 60 4.103 4.049 0.054 1
1 708 . 16 1 1 A 60 60 GLN C C 60 176.334 177.915 -1.581 1
1 709 . 16 1 1 A 60 60 GLN CA C 60 56.820 58.760 -1.940 1
1 710 . 16 1 1 A 60 60 GLN CB C 60 29.003 27.940 1.063 1
1 712 . 16 1 1 A 60 60 GLN N N 60 120.517 118.584 1.933 1
1 714 . 16 1 1 A 61 61 TYR H H 61 8.001 8.016 -0.015 1
1 715 . 16 1 1 A 61 61 TYR HA H 61 4.544 4.353 0.191 1
1 722 . 16 1 1 A 61 61 TYR C C 61 176.456 178.289 -1.833 1
1 723 . 16 1 1 A 61 61 TYR CA C 61 58.442 60.917 -2.475 1
1 724 . 16 1 1 A 61 61 TYR CB C 61 38.408 38.605 -0.197 1
1 729 . 16 1 1 A 61 61 TYR N N 61 119.641 119.473 0.168 1
1 730 . 16 1 1 A 62 62 SER H H 62 8.071 8.083 -0.012 1
1 731 . 16 1 1 A 62 62 SER HA H 62 4.371 4.300 0.071 1
1 734 . 16 1 1 A 62 62 SER C C 62 174.440 175.493 -1.053 1
1 735 . 16 1 1 A 62 62 SER CA C 62 58.830 61.777 -2.947 1
1 736 . 16 1 1 A 62 62 SER CB C 62 63.806 63.115 0.691 1
1 737 . 16 1 1 A 62 62 SER N N 62 116.272 116.317 -0.045 1
1 738 . 16 1 1 A 63 63 ASN HA H 63 4.737 4.817 -0.080 1
1 743 . 16 1 1 A 63 63 ASN CA C 63 50.823 54.098 -3.275 1
1 744 . 16 1 1 A 63 63 ASN CB C 63 38.920 38.988 -0.068 1
1 746 . 16 1 1 A 64 64 SER HA H 64 4.407 4.955 -0.548 1
1 749 . 16 1 1 A 64 64 SER C C 64 174.610 174.874 -0.264 1
1 750 . 16 1 1 A 64 64 SER CA C 64 58.794 57.355 1.439 1
1 751 . 16 1 1 A 64 64 SER CB C 64 63.727 66.286 -2.559 1
1 752 . 16 1 1 A 65 65 ARG H H 65 8.263 8.733 -0.470 1
1 753 . 16 1 1 A 65 65 ARG HA H 65 4.405 3.989 0.416 1
1 760 . 16 1 1 A 65 65 ARG C C 65 176.310 175.084 1.226 1
1 761 . 16 1 1 A 65 65 ARG CA C 65 56.185 56.983 -0.798 1
1 762 . 16 1 1 A 65 65 ARG CB C 65 30.643 27.935 2.708 1
1 765 . 16 1 1 A 65 65 ARG N N 65 122.520 124.441 -1.921 1
1 766 . 16 1 1 A 66 66 SER H H 66 8.253 7.819 0.434 1
1 767 . 16 1 1 A 66 66 SER HA H 66 4.507 4.840 -0.333 1
1 770 . 16 1 1 A 66 66 SER C C 66 174.489 173.096 1.393 1
1 771 . 16 1 1 A 66 66 SER CA C 66 58.320 56.912 1.408 1
1 772 . 16 1 1 A 66 66 SER CB C 66 63.974 66.281 -2.307 1
1 773 . 16 1 1 A 66 66 SER N N 66 116.498 114.665 1.833 1
1 774 . 16 1 1 A 67 67 GLY H H 67 8.201 8.421 -0.220 1
1 775 . 16 1 1 A 67 67 GLY HA2 H 67 4.113 4.094 0.019 1
1 776 . 16 1 1 A 67 67 GLY C C 67 171.769 174.107 -2.338 1
1 777 . 16 1 1 A 67 67 GLY CA C 67 44.689 44.392 0.297 1
1 778 . 16 1 1 A 67 67 GLY N N 67 110.648 112.870 -2.222 1
1 781 . 16 1 1 A 69 69 SER HA H 69 4.481 4.549 -0.068 1
1 784 . 16 1 1 A 69 69 SER C C 69 174.659 175.142 -0.483 1
1 785 . 16 1 1 A 69 69 SER CA C 69 58.371 58.901 -0.530 1
1 786 . 16 1 1 A 69 69 SER CB C 69 63.645 64.311 -0.666 1
1 787 . 16 1 1 A 70 70 SER H H 70 8.303 8.931 -0.628 1
1 788 . 16 1 1 A 70 70 SER HA H 70 4.473 4.261 0.212 1
1 791 . 16 1 1 A 70 70 SER C C 70 173.930 176.808 -2.878 1
1 792 . 16 1 1 A 70 70 SER CA C 70 58.406 61.243 -2.837 1
1 793 . 16 1 1 A 70 70 SER CB C 70 64.057 62.734 1.323 1
1 794 . 16 1 1 A 70 70 SER N N 70 117.757 118.872 -1.115 1
1 1 . 17 1 1 A 7 7 GLY HA2 H 7 3.980 4.067 -0.087 1
1 2 . 17 1 1 A 7 7 GLY HA3 H 7 3.980 4.068 -0.088 1
1 3 . 17 1 1 A 7 7 GLY C C 7 173.809 172.755 1.054 1
1 4 . 17 1 1 A 7 7 GLY CA C 7 45.148 46.660 -1.512 1
1 5 . 17 1 1 A 8 8 SER H H 8 8.167 8.197 -0.030 1
1 6 . 17 1 1 A 8 8 SER C C 8 172.741 172.292 0.449 1
1 7 . 17 1 1 A 8 8 SER CA C 8 56.432 55.258 1.174 1
1 8 . 17 1 1 A 8 8 SER CB C 8 63.397 66.204 -2.807 1
1 9 . 17 1 1 A 8 8 SER N N 8 116.986 117.785 -0.799 1
1 10 . 17 1 1 A 9 9 PRO HA H 9 4.471 4.612 -0.141 1
1 17 . 17 1 1 A 9 9 PRO C C 9 176.771 175.282 1.489 1
1 18 . 17 1 1 A 9 9 PRO CA C 9 63.244 62.286 0.958 1
1 19 . 17 1 1 A 9 9 PRO CB C 9 32.121 33.157 -1.036 1
1 22 . 17 1 1 A 10 10 ILE H H 10 8.173 8.404 -0.231 1
1 23 . 17 1 1 A 10 10 ILE HA H 10 4.084 4.846 -0.762 1
1 33 . 17 1 1 A 10 10 ILE C C 10 175.703 174.862 0.841 1
1 34 . 17 1 1 A 10 10 ILE CA C 10 61.051 59.481 1.570 1
1 35 . 17 1 1 A 10 10 ILE CB C 10 38.806 41.606 -2.800 1
1 39 . 17 1 1 A 10 10 ILE N N 10 120.782 120.490 0.292 1
1 40 . 17 1 1 A 11 11 ASN H H 11 8.538 8.640 -0.102 1
1 41 . 17 1 1 A 11 11 ASN HA H 11 4.992 5.364 -0.372 1
1 46 . 17 1 1 A 11 11 ASN C C 11 173.785 174.243 -0.458 1
1 47 . 17 1 1 A 11 11 ASN CA C 11 50.794 49.782 1.012 1
1 48 . 17 1 1 A 11 11 ASN CB C 11 39.063 39.681 -0.618 1
1 49 . 17 1 1 A 11 11 ASN N N 11 123.456 125.075 -1.619 1
1 51 . 17 1 1 A 12 12 PRO HA H 12 4.328 4.284 0.044 1
1 58 . 17 1 1 A 12 12 PRO C C 12 176.674 177.115 -0.441 1
1 59 . 17 1 1 A 12 12 PRO CA C 12 63.616 65.582 -1.966 1
1 60 . 17 1 1 A 12 12 PRO CB C 12 31.997 31.134 0.863 1
1 63 . 17 1 1 A 13 13 TYR H H 13 7.994 7.664 0.330 1
1 64 . 17 1 1 A 13 13 TYR HA H 13 4.574 4.714 -0.140 1
1 71 . 17 1 1 A 13 13 TYR C C 13 176.237 176.024 0.213 1
1 72 . 17 1 1 A 13 13 TYR CA C 13 57.866 57.430 0.436 1
1 73 . 17 1 1 A 13 13 TYR CB C 13 38.013 39.356 -1.343 1
1 78 . 17 1 1 A 13 13 TYR N N 13 118.352 114.864 3.488 1
1 79 . 17 1 1 A 14 14 LYS H H 14 7.727 7.677 0.050 1
1 80 . 17 1 1 A 14 14 LYS HA H 14 4.131 4.239 -0.108 1
1 88 . 17 1 1 A 14 14 LYS C C 14 176.626 177.562 -0.936 1
1 89 . 17 1 1 A 14 14 LYS CA C 14 57.704 57.111 0.593 1
1 90 . 17 1 1 A 14 14 LYS CB C 14 33.154 33.685 -0.531 1
1 94 . 17 1 1 A 14 14 LYS N N 14 121.585 122.842 -1.257 1
1 95 . 17 1 1 A 15 15 ASP H H 15 8.374 8.919 -0.545 1
1 96 . 17 1 1 A 15 15 ASP HA H 15 4.620 4.284 0.336 1
1 99 . 17 1 1 A 15 15 ASP C C 15 174.125 178.421 -4.296 1
1 100 . 17 1 1 A 15 15 ASP CA C 15 54.763 57.886 -3.123 1
1 101 . 17 1 1 A 15 15 ASP CB C 15 40.533 40.156 0.377 1
1 102 . 17 1 1 A 15 15 ASP N N 15 119.870 124.898 -5.028 1
1 103 . 17 1 1 A 16 16 HIS H H 16 8.034 8.225 -0.191 1
1 104 . 17 1 1 A 16 16 HIS HA H 16 4.419 4.296 0.123 1
1 109 . 17 1 1 A 16 16 HIS CA C 16 58.742 59.080 -0.338 1
1 110 . 17 1 1 A 16 16 HIS CB C 16 30.675 29.894 0.781 1
1 113 . 17 1 1 A 16 16 HIS N N 16 124.264 118.103 6.161 1
1 114 . 17 1 1 A 17 17 MET H H 17 8.049 7.919 0.130 1
1 115 . 17 1 1 A 17 17 MET HA H 17 4.160 4.059 0.101 1
1 123 . 17 1 1 A 17 17 MET CA C 17 57.275 58.276 -1.001 1
1 124 . 17 1 1 A 17 17 MET CB C 17 31.055 33.445 -2.390 1
1 127 . 17 1 1 A 17 17 MET N N 17 117.829 117.409 0.420 1
1 128 . 17 1 1 A 18 18 SER HA H 18 4.134 4.140 -0.006 1
1 131 . 17 1 1 A 18 18 SER C C 18 176.941 176.220 0.721 1
1 132 . 17 1 1 A 18 18 SER CA C 18 61.889 62.499 -0.610 1
1 133 . 17 1 1 A 18 18 SER CB C 18 62.424 62.665 -0.241 1
1 134 . 17 1 1 A 19 19 VAL H H 19 7.568 8.088 -0.520 1
1 135 . 17 1 1 A 19 19 VAL HA H 19 3.809 3.592 0.217 1
1 143 . 17 1 1 A 19 19 VAL C C 19 177.913 177.625 0.288 1
1 144 . 17 1 1 A 19 19 VAL CA C 19 65.637 65.247 0.390 1
1 145 . 17 1 1 A 19 19 VAL CB C 19 31.737 31.555 0.182 1
1 148 . 17 1 1 A 19 19 VAL N N 19 122.341 120.588 1.753 1
1 149 . 17 1 1 A 20 20 LEU H H 20 7.788 7.874 -0.086 1
1 150 . 17 1 1 A 20 20 LEU HA H 20 3.940 4.078 -0.138 1
1 160 . 17 1 1 A 20 20 LEU C C 20 178.520 179.185 -0.665 1
1 161 . 17 1 1 A 20 20 LEU CA C 20 58.336 57.859 0.477 1
1 162 . 17 1 1 A 20 20 LEU CB C 20 39.138 40.859 -1.721 1
1 166 . 17 1 1 A 20 20 LEU N N 20 120.156 121.123 -0.967 1
1 167 . 17 1 1 A 21 21 LYS H H 21 8.067 8.368 -0.301 1
1 168 . 17 1 1 A 21 21 LYS HA H 21 4.047 4.412 -0.365 1
1 175 . 17 1 1 A 21 21 LYS C C 21 179.102 179.193 -0.091 1
1 176 . 17 1 1 A 21 21 LYS CA C 21 60.667 59.212 1.455 1
1 177 . 17 1 1 A 21 21 LYS CB C 21 32.519 31.894 0.625 1
1 181 . 17 1 1 A 21 21 LYS N N 21 117.374 117.761 -0.387 1
1 182 . 17 1 1 A 22 22 ALA H H 22 7.718 8.035 -0.317 1
1 183 . 17 1 1 A 22 22 ALA HA H 22 4.217 4.139 0.078 1
1 187 . 17 1 1 A 22 22 ALA C C 22 180.486 179.293 1.193 1
1 188 . 17 1 1 A 22 22 ALA CA C 22 54.954 54.934 0.020 1
1 189 . 17 1 1 A 22 22 ALA CB C 22 17.934 18.202 -0.268 1
1 190 . 17 1 1 A 22 22 ALA N N 22 122.528 122.273 0.255 1
1 191 . 17 1 1 A 23 23 TYR H H 23 8.036 7.104 0.932 1
1 192 . 17 1 1 A 23 23 TYR HA H 23 4.291 4.393 -0.102 1
1 199 . 17 1 1 A 23 23 TYR C C 23 178.860 178.503 0.357 1
1 200 . 17 1 1 A 23 23 TYR CA C 23 62.616 61.809 0.807 1
1 201 . 17 1 1 A 23 23 TYR CB C 23 38.455 38.148 0.307 1
1 206 . 17 1 1 A 23 23 TYR N N 23 117.835 115.622 2.213 1
1 207 . 17 1 1 A 24 24 TYR H H 24 8.856 8.275 0.581 1
1 208 . 17 1 1 A 24 24 TYR HA H 24 4.420 4.890 -0.470 1
1 215 . 17 1 1 A 24 24 TYR C C 24 175.484 177.020 -1.536 1
1 216 . 17 1 1 A 24 24 TYR CA C 24 61.291 62.163 -0.872 1
1 217 . 17 1 1 A 24 24 TYR CB C 24 38.629 38.795 -0.166 1
1 222 . 17 1 1 A 24 24 TYR N N 24 122.534 120.602 1.932 1
1 223 . 17 1 1 A 25 25 ALA H H 25 7.616 8.371 -0.755 1
1 224 . 17 1 1 A 25 25 ALA HA H 25 4.084 4.216 -0.132 1
1 228 . 17 1 1 A 25 25 ALA C C 25 179.224 179.891 -0.667 1
1 229 . 17 1 1 A 25 25 ALA CA C 25 53.893 55.458 -1.565 1
1 230 . 17 1 1 A 25 25 ALA CB C 25 18.433 18.611 -0.178 1
1 231 . 17 1 1 A 25 25 ALA N N 25 116.147 121.678 -5.531 1
1 232 . 17 1 1 A 26 26 MET H H 26 7.379 7.909 -0.530 1
1 233 . 17 1 1 A 26 26 MET HA H 26 4.353 4.378 -0.025 1
1 241 . 17 1 1 A 26 26 MET C C 26 176.529 176.651 -0.122 1
1 242 . 17 1 1 A 26 26 MET CA C 26 56.724 58.176 -1.452 1
1 243 . 17 1 1 A 26 26 MET CB C 26 33.645 33.197 0.448 1
1 246 . 17 1 1 A 26 26 MET N N 26 114.990 116.444 -1.454 1
1 247 . 17 1 1 A 27 27 ASN H H 27 7.865 8.114 -0.249 1
1 248 . 17 1 1 A 27 27 ASN HA H 27 4.562 5.036 -0.474 1
1 253 . 17 1 1 A 27 27 ASN C C 27 173.323 175.491 -2.168 1
1 254 . 17 1 1 A 27 27 ASN CA C 27 53.143 51.638 1.505 1
1 255 . 17 1 1 A 27 27 ASN CB C 27 38.096 39.678 -1.582 1
1 256 . 17 1 1 A 27 27 ASN N N 27 117.385 116.784 0.601 1
1 258 . 17 1 1 A 28 28 MET H H 28 8.400 8.595 -0.195 1
1 259 . 17 1 1 A 28 28 MET HA H 28 4.064 3.735 0.329 1
1 267 . 17 1 1 A 28 28 MET C C 28 175.557 176.258 -0.701 1
1 268 . 17 1 1 A 28 28 MET CA C 28 57.419 58.232 -0.813 1
1 269 . 17 1 1 A 28 28 MET CB C 28 33.795 32.638 1.157 1
1 272 . 17 1 1 A 28 28 MET N N 28 121.660 124.381 -2.721 1
1 273 . 17 1 1 A 29 29 GLU H H 29 7.821 8.055 -0.234 1
1 274 . 17 1 1 A 29 29 GLU HA H 29 4.757 4.588 0.169 1
1 279 . 17 1 1 A 29 29 GLU C C 29 172.328 173.234 -0.906 1
1 280 . 17 1 1 A 29 29 GLU CA C 29 53.293 53.034 0.259 1
1 281 . 17 1 1 A 29 29 GLU CB C 29 30.761 30.368 0.393 1
1 283 . 17 1 1 A 29 29 GLU N N 29 116.541 118.607 -2.066 1
1 284 . 17 1 1 A 30 30 PRO HA H 30 4.475 4.433 0.042 1
1 291 . 17 1 1 A 30 30 PRO C C 30 177.014 176.576 0.438 1
1 292 . 17 1 1 A 30 30 PRO CA C 30 62.603 62.256 0.347 1
1 293 . 17 1 1 A 30 30 PRO CB C 30 31.915 31.960 -0.045 1
1 296 . 17 1 1 A 31 31 ASN H H 31 8.909 8.591 0.318 1
1 297 . 17 1 1 A 31 31 ASN HA H 31 4.673 4.998 -0.325 1
1 302 . 17 1 1 A 31 31 ASN C C 31 175.460 176.704 -1.244 1
1 303 . 17 1 1 A 31 31 ASN CA C 31 51.303 51.889 -0.586 1
1 304 . 17 1 1 A 31 31 ASN CB C 31 38.261 39.277 -1.016 1
1 305 . 17 1 1 A 31 31 ASN N N 31 120.499 119.613 0.886 1
1 307 . 17 1 1 A 32 32 SER H H 32 8.486 8.720 -0.234 1
1 308 . 17 1 1 A 32 32 SER HA H 32 4.024 4.061 -0.037 1
1 311 . 17 1 1 A 32 32 SER C C 32 176.650 176.554 0.096 1
1 312 . 17 1 1 A 32 32 SER CA C 32 62.621 61.225 1.396 1
1 313 . 17 1 1 A 32 32 SER CB C 32 62.675 62.938 -0.263 1
1 314 . 17 1 1 A 32 32 SER N N 32 112.460 115.151 -2.691 1
1 315 . 17 1 1 A 33 33 ASP H H 33 7.935 7.912 0.023 1
1 316 . 17 1 1 A 33 33 ASP HA H 33 4.441 4.450 -0.009 1
1 319 . 17 1 1 A 33 33 ASP C C 33 178.811 178.442 0.369 1
1 320 . 17 1 1 A 33 33 ASP CA C 33 57.456 56.372 1.084 1
1 321 . 17 1 1 A 33 33 ASP CB C 33 40.870 40.838 0.032 1
1 322 . 17 1 1 A 33 33 ASP N N 33 122.575 121.631 0.944 1
1 323 . 17 1 1 A 34 34 GLU H H 34 8.442 8.034 0.408 1
1 324 . 17 1 1 A 34 34 GLU HA H 34 3.898 3.956 -0.058 1
1 329 . 17 1 1 A 34 34 GLU C C 34 179.127 178.906 0.221 1
1 330 . 17 1 1 A 34 34 GLU CA C 34 59.041 59.101 -0.060 1
1 331 . 17 1 1 A 34 34 GLU CB C 34 29.854 29.517 0.337 1
1 333 . 17 1 1 A 34 34 GLU N N 34 121.743 120.309 1.434 1
1 334 . 17 1 1 A 35 35 LEU H H 35 8.723 8.254 0.469 1
1 335 . 17 1 1 A 35 35 LEU HA H 35 3.735 3.685 0.050 1
1 345 . 17 1 1 A 35 35 LEU C C 35 179.321 178.674 0.647 1
1 346 . 17 1 1 A 35 35 LEU CA C 35 58.118 57.869 0.249 1
1 347 . 17 1 1 A 35 35 LEU CB C 35 42.428 41.587 0.841 1
1 351 . 17 1 1 A 35 35 LEU N N 35 119.674 120.941 -1.267 1
1 352 . 17 1 1 A 36 36 LEU H H 36 7.651 8.172 -0.521 1
1 353 . 17 1 1 A 36 36 LEU HA H 36 4.039 3.903 0.136 1
1 363 . 17 1 1 A 36 36 LEU C C 36 178.908 178.386 0.522 1
1 364 . 17 1 1 A 36 36 LEU CA C 36 58.414 58.781 -0.367 1
1 365 . 17 1 1 A 36 36 LEU CB C 36 41.040 41.953 -0.913 1
1 369 . 17 1 1 A 36 36 LEU N N 36 121.058 119.880 1.178 1
1 370 . 17 1 1 A 37 37 LYS H H 37 7.704 7.620 0.084 1
1 371 . 17 1 1 A 37 37 LYS HA H 37 3.874 3.957 -0.083 1
1 379 . 17 1 1 A 37 37 LYS C C 37 180.025 179.051 0.974 1
1 380 . 17 1 1 A 37 37 LYS CA C 37 60.345 59.296 1.049 1
1 381 . 17 1 1 A 37 37 LYS CB C 37 32.327 32.538 -0.211 1
1 385 . 17 1 1 A 37 37 LYS N N 37 119.032 117.711 1.321 1
1 386 . 17 1 1 A 38 38 ILE H H 38 8.413 8.157 0.256 1
1 387 . 17 1 1 A 38 38 ILE HA H 38 3.296 3.153 0.143 1
1 397 . 17 1 1 A 38 38 ILE C C 38 177.063 177.864 -0.801 1
1 398 . 17 1 1 A 38 38 ILE CA C 38 65.479 65.156 0.323 1
1 399 . 17 1 1 A 38 38 ILE CB C 38 38.384 37.468 0.916 1
1 403 . 17 1 1 A 38 38 ILE N N 38 120.466 120.986 -0.520 1
1 404 . 17 1 1 A 39 39 SER H H 39 8.183 8.103 0.080 1
1 405 . 17 1 1 A 39 39 SER HA H 39 4.047 4.334 -0.287 1
1 408 . 17 1 1 A 39 39 SER C C 39 176.359 177.675 -1.316 1
1 409 . 17 1 1 A 39 39 SER CA C 39 62.620 61.025 1.595 1
1 410 . 17 1 1 A 39 39 SER CB C 39 62.548 62.821 -0.273 1
1 411 . 17 1 1 A 39 39 SER N N 39 115.371 114.201 1.170 1
1 412 . 17 1 1 A 40 40 ILE H H 40 7.983 7.971 0.012 1
1 413 . 17 1 1 A 40 40 ILE HA H 40 3.785 3.661 0.124 1
1 423 . 17 1 1 A 40 40 ILE C C 40 178.714 177.850 0.864 1
1 424 . 17 1 1 A 40 40 ILE CA C 40 64.307 65.489 -1.182 1
1 425 . 17 1 1 A 40 40 ILE CB C 40 38.440 37.952 0.488 1
1 429 . 17 1 1 A 40 40 ILE N N 40 121.913 122.778 -0.865 1
1 430 . 17 1 1 A 41 41 ALA H H 41 7.886 8.852 -0.966 1
1 431 . 17 1 1 A 41 41 ALA HA H 41 4.157 4.077 0.080 1
1 435 . 17 1 1 A 41 41 ALA C C 41 180.147 179.936 0.211 1
1 436 . 17 1 1 A 41 41 ALA CA C 41 55.268 55.574 -0.306 1
1 437 . 17 1 1 A 41 41 ALA CB C 41 18.646 18.695 -0.049 1
1 438 . 17 1 1 A 41 41 ALA N N 41 122.775 122.210 0.565 1
1 439 . 17 1 1 A 42 42 VAL H H 42 8.268 7.634 0.634 1
1 440 . 17 1 1 A 42 42 VAL HA H 42 4.352 4.055 0.297 1
1 448 . 17 1 1 A 42 42 VAL C C 42 175.849 176.993 -1.144 1
1 449 . 17 1 1 A 42 42 VAL CA C 42 61.352 63.584 -2.232 1
1 450 . 17 1 1 A 42 42 VAL CB C 42 32.632 33.145 -0.513 1
1 453 . 17 1 1 A 42 42 VAL N N 42 108.944 111.180 -2.236 1
1 454 . 17 1 1 A 43 43 GLY H H 43 7.837 8.064 -0.227 1
1 455 . 17 1 1 A 43 43 GLY HA2 H 43 3.937 3.969 -0.032 1
1 456 . 17 1 1 A 43 43 GLY HA3 H 43 3.852 3.984 -0.132 1
1 457 . 17 1 1 A 43 43 GLY C C 43 174.392 174.186 0.206 1
1 458 . 17 1 1 A 43 43 GLY CA C 43 46.770 44.846 1.924 1
1 459 . 17 1 1 A 43 43 GLY N N 43 110.644 112.083 -1.439 1
1 460 . 17 1 1 A 44 44 LEU H H 44 7.483 7.490 -0.007 1
1 461 . 17 1 1 A 44 44 LEU HA H 44 4.833 4.543 0.290 1
1 471 . 17 1 1 A 44 44 LEU C C 44 173.348 174.852 -1.504 1
1 472 . 17 1 1 A 44 44 LEU CA C 44 51.178 52.864 -1.686 1
1 473 . 17 1 1 A 44 44 LEU CB C 44 45.096 41.179 3.917 1
1 477 . 17 1 1 A 44 44 LEU N N 44 118.486 122.361 -3.875 1
1 478 . 17 1 1 A 45 45 PRO HA H 45 4.447 4.700 -0.253 1
1 485 . 17 1 1 A 45 45 PRO C C 45 178.301 177.874 0.427 1
1 486 . 17 1 1 A 45 45 PRO CA C 45 62.740 63.039 -0.299 1
1 487 . 17 1 1 A 45 45 PRO CB C 45 32.626 31.709 0.917 1
1 490 . 17 1 1 A 46 46 GLN H H 46 9.200 8.969 0.231 1
1 491 . 17 1 1 A 46 46 GLN HA H 46 4.007 4.029 -0.022 1
1 498 . 17 1 1 A 46 46 GLN C C 46 177.718 177.785 -0.067 1
1 499 . 17 1 1 A 46 46 GLN CA C 46 60.099 59.258 0.841 1
1 500 . 17 1 1 A 46 46 GLN CB C 46 28.371 28.742 -0.371 1
1 502 . 17 1 1 A 46 46 GLN N N 46 125.692 124.774 0.918 1
1 504 . 17 1 1 A 47 47 GLU H H 47 9.618 8.482 1.136 1
1 505 . 17 1 1 A 47 47 GLU HA H 47 4.036 4.101 -0.065 1
1 510 . 17 1 1 A 47 47 GLU C C 47 178.860 179.018 -0.158 1
1 511 . 17 1 1 A 47 47 GLU CA C 47 60.029 59.528 0.501 1
1 512 . 17 1 1 A 47 47 GLU CB C 47 28.746 29.629 -0.883 1
1 514 . 17 1 1 A 47 47 GLU N N 47 117.907 119.005 -1.098 1
1 515 . 17 1 1 A 48 48 PHE H H 48 7.194 8.139 -0.945 1
1 516 . 17 1 1 A 48 48 PHE HA H 48 4.385 4.238 0.147 1
1 524 . 17 1 1 A 48 48 PHE C C 48 177.524 177.505 0.019 1
1 525 . 17 1 1 A 48 48 PHE CA C 48 60.699 61.327 -0.628 1
1 526 . 17 1 1 A 48 48 PHE CB C 48 39.190 39.089 0.101 1
1 532 . 17 1 1 A 48 48 PHE N N 48 119.141 122.031 -2.890 1
1 533 . 17 1 1 A 49 49 VAL H H 49 7.761 8.343 -0.582 1
1 534 . 17 1 1 A 49 49 VAL HA H 49 3.509 3.796 -0.287 1
1 542 . 17 1 1 A 49 49 VAL C C 49 177.306 178.095 -0.789 1
1 543 . 17 1 1 A 49 49 VAL CA C 49 67.242 67.028 0.214 1
1 544 . 17 1 1 A 49 49 VAL CB C 49 31.844 31.773 0.071 1
1 547 . 17 1 1 A 49 49 VAL N N 49 120.478 119.700 0.778 1
1 548 . 17 1 1 A 50 50 LYS H H 50 8.751 8.399 0.352 1
1 549 . 17 1 1 A 50 50 LYS HA H 50 4.023 4.038 -0.015 1
1 557 . 17 1 1 A 50 50 LYS C C 50 178.593 179.032 -0.439 1
1 558 . 17 1 1 A 50 50 LYS CA C 50 60.274 59.911 0.363 1
1 559 . 17 1 1 A 50 50 LYS CB C 50 32.821 32.540 0.281 1
1 563 . 17 1 1 A 50 50 LYS N N 50 119.513 120.307 -0.794 1
1 564 . 17 1 1 A 51 51 GLU H H 51 7.636 7.879 -0.243 1
1 565 . 17 1 1 A 51 51 GLU HA H 51 4.110 4.081 0.029 1
1 570 . 17 1 1 A 51 51 GLU C C 51 177.791 179.085 -1.294 1
1 571 . 17 1 1 A 51 51 GLU CA C 51 59.253 59.373 -0.120 1
1 572 . 17 1 1 A 51 51 GLU CB C 51 29.442 29.503 -0.061 1
1 574 . 17 1 1 A 51 51 GLU N N 51 118.681 117.559 1.122 1
1 575 . 17 1 1 A 52 52 TRP H H 52 8.396 7.829 0.567 1
1 576 . 17 1 1 A 52 52 TRP HA H 52 3.794 4.272 -0.478 1
1 585 . 17 1 1 A 52 52 TRP C C 52 179.709 178.659 1.050 1
1 586 . 17 1 1 A 52 52 TRP CA C 52 62.688 60.803 1.885 1
1 587 . 17 1 1 A 52 52 TRP CB C 52 28.806 29.502 -0.696 1
1 593 . 17 1 1 A 52 52 TRP N N 52 121.740 122.291 -0.551 1
1 595 . 17 1 1 A 53 53 PHE H H 53 8.602 8.137 0.465 1
1 596 . 17 1 1 A 53 53 PHE HA H 53 3.899 4.375 -0.476 1
1 604 . 17 1 1 A 53 53 PHE C C 53 179.297 178.537 0.760 1
1 605 . 17 1 1 A 53 53 PHE CA C 53 63.414 61.698 1.716 1
1 606 . 17 1 1 A 53 53 PHE CB C 53 39.480 39.011 0.469 1
1 612 . 17 1 1 A 53 53 PHE N N 53 117.648 117.548 0.100 1
1 613 . 17 1 1 A 54 54 GLU H H 54 8.372 8.323 0.049 1
1 614 . 17 1 1 A 54 54 GLU HA H 54 4.070 3.974 0.096 1
1 619 . 17 1 1 A 54 54 GLU C C 54 179.540 179.364 0.176 1
1 620 . 17 1 1 A 54 54 GLU CA C 54 59.676 59.970 -0.294 1
1 621 . 17 1 1 A 54 54 GLU CB C 54 29.448 29.099 0.349 1
1 623 . 17 1 1 A 54 54 GLU N N 54 120.198 118.825 1.373 1
1 624 . 17 1 1 A 55 55 GLN H H 55 8.275 8.603 -0.328 1
1 625 . 17 1 1 A 55 55 GLN HA H 55 3.975 3.879 0.096 1
1 632 . 17 1 1 A 55 55 GLN C C 55 177.913 178.433 -0.520 1
1 633 . 17 1 1 A 55 55 GLN CA C 55 57.773 59.335 -1.562 1
1 634 . 17 1 1 A 55 55 GLN CB C 55 28.075 28.006 0.069 1
1 636 . 17 1 1 A 55 55 GLN N N 55 117.674 118.798 -1.124 1
1 638 . 17 1 1 A 56 56 ARG H H 56 7.413 7.812 -0.399 1
1 639 . 17 1 1 A 56 56 ARG HA H 56 3.727 4.035 -0.308 1
1 646 . 17 1 1 A 56 56 ARG C C 56 177.670 178.841 -1.171 1
1 647 . 17 1 1 A 56 56 ARG CA C 56 57.278 59.043 -1.765 1
1 648 . 17 1 1 A 56 56 ARG CB C 56 29.564 29.902 -0.338 1
1 651 . 17 1 1 A 56 56 ARG N N 56 119.111 120.765 -1.654 1
1 652 . 17 1 1 A 57 57 LYS H H 57 7.468 7.993 -0.525 1
1 653 . 17 1 1 A 57 57 LYS HA H 57 4.215 4.220 -0.005 1
1 662 . 17 1 1 A 57 57 LYS C C 57 177.937 179.204 -1.267 1
1 663 . 17 1 1 A 57 57 LYS CA C 57 58.454 59.419 -0.965 1
1 664 . 17 1 1 A 57 57 LYS CB C 57 32.656 32.439 0.217 1
1 668 . 17 1 1 A 57 57 LYS N N 57 118.984 119.081 -0.097 1
1 669 . 17 1 1 A 58 58 VAL H H 58 7.564 8.222 -0.658 1
1 670 . 17 1 1 A 58 58 VAL HA H 58 3.866 3.687 0.179 1
1 678 . 17 1 1 A 58 58 VAL C C 58 177.306 177.228 0.078 1
1 679 . 17 1 1 A 58 58 VAL CA C 58 64.013 65.790 -1.777 1
1 680 . 17 1 1 A 58 58 VAL CB C 58 32.128 31.270 0.858 1
1 683 . 17 1 1 A 58 58 VAL N N 58 118.037 120.000 -1.963 1
1 684 . 17 1 1 A 59 59 TYR H H 59 7.871 6.988 0.883 1
1 685 . 17 1 1 A 59 59 TYR HA H 59 4.381 4.414 -0.033 1
1 692 . 17 1 1 A 59 59 TYR C C 59 176.577 178.870 -2.293 1
1 693 . 17 1 1 A 59 59 TYR CA C 59 59.112 60.786 -1.674 1
1 694 . 17 1 1 A 59 59 TYR CB C 59 38.382 38.938 -0.556 1
1 699 . 17 1 1 A 59 59 TYR N N 59 121.466 118.600 2.866 1
1 700 . 17 1 1 A 60 60 GLN H H 60 8.074 8.400 -0.326 1
1 701 . 17 1 1 A 60 60 GLN HA H 60 4.103 4.400 -0.297 1
1 708 . 17 1 1 A 60 60 GLN C C 60 176.334 177.286 -0.952 1
1 709 . 17 1 1 A 60 60 GLN CA C 60 56.820 58.298 -1.478 1
1 710 . 17 1 1 A 60 60 GLN CB C 60 29.003 28.416 0.587 1
1 712 . 17 1 1 A 60 60 GLN N N 60 120.517 117.441 3.076 1
1 714 . 17 1 1 A 61 61 TYR H H 61 8.001 8.178 -0.177 1
1 715 . 17 1 1 A 61 61 TYR HA H 61 4.544 4.352 0.192 1
1 722 . 17 1 1 A 61 61 TYR C C 61 176.456 178.369 -1.913 1
1 723 . 17 1 1 A 61 61 TYR CA C 61 58.442 60.720 -2.278 1
1 724 . 17 1 1 A 61 61 TYR CB C 61 38.408 38.889 -0.481 1
1 729 . 17 1 1 A 61 61 TYR N N 61 119.641 118.696 0.945 1
1 730 . 17 1 1 A 62 62 SER H H 62 8.071 7.554 0.517 1
1 731 . 17 1 1 A 62 62 SER HA H 62 4.371 4.229 0.142 1
1 734 . 17 1 1 A 62 62 SER C C 62 174.440 176.787 -2.347 1
1 735 . 17 1 1 A 62 62 SER CA C 62 58.830 61.430 -2.600 1
1 736 . 17 1 1 A 62 62 SER CB C 62 63.806 63.211 0.595 1
1 737 . 17 1 1 A 62 62 SER N N 62 116.272 116.479 -0.207 1
1 738 . 17 1 1 A 63 63 ASN HA H 63 4.737 4.532 0.205 1
1 743 . 17 1 1 A 63 63 ASN CA C 63 50.823 55.955 -5.132 1
1 744 . 17 1 1 A 63 63 ASN CB C 63 38.920 38.062 0.858 1
1 746 . 17 1 1 A 64 64 SER HA H 64 4.407 4.397 0.010 1
1 749 . 17 1 1 A 64 64 SER C C 64 174.610 173.920 0.690 1
1 750 . 17 1 1 A 64 64 SER CA C 64 58.794 58.124 0.670 1
1 751 . 17 1 1 A 64 64 SER CB C 64 63.727 63.772 -0.045 1
1 752 . 17 1 1 A 65 65 ARG H H 65 8.263 8.587 -0.324 1
1 753 . 17 1 1 A 65 65 ARG HA H 65 4.405 4.278 0.127 1
1 760 . 17 1 1 A 65 65 ARG C C 65 176.310 175.576 0.734 1
1 761 . 17 1 1 A 65 65 ARG CA C 65 56.185 57.204 -1.019 1
1 762 . 17 1 1 A 65 65 ARG CB C 65 30.643 30.828 -0.185 1
1 765 . 17 1 1 A 65 65 ARG N N 65 122.520 129.103 -6.583 1
1 766 . 17 1 1 A 66 66 SER H H 66 8.253 8.781 -0.528 1
1 767 . 17 1 1 A 66 66 SER HA H 66 4.507 5.105 -0.598 1
1 770 . 17 1 1 A 66 66 SER C C 66 174.489 172.917 1.572 1
1 771 . 17 1 1 A 66 66 SER CA C 66 58.320 57.100 1.220 1
1 772 . 17 1 1 A 66 66 SER CB C 66 63.974 66.263 -2.289 1
1 773 . 17 1 1 A 66 66 SER N N 66 116.498 119.157 -2.659 1
1 774 . 17 1 1 A 67 67 GLY H H 67 8.201 8.326 -0.125 1
1 775 . 17 1 1 A 67 67 GLY HA2 H 67 4.113 4.125 -0.012 1
1 776 . 17 1 1 A 67 67 GLY C C 67 171.769 172.745 -0.976 1
1 777 . 17 1 1 A 67 67 GLY CA C 67 44.689 44.389 0.300 1
1 778 . 17 1 1 A 67 67 GLY N N 67 110.648 107.687 2.961 1
1 781 . 17 1 1 A 69 69 SER HA H 69 4.481 4.880 -0.399 1
1 784 . 17 1 1 A 69 69 SER C C 69 174.659 174.553 0.106 1
1 785 . 17 1 1 A 69 69 SER CA C 69 58.371 56.346 2.025 1
1 786 . 17 1 1 A 69 69 SER CB C 69 63.645 66.017 -2.372 1
1 787 . 17 1 1 A 70 70 SER H H 70 8.303 8.786 -0.483 1
1 788 . 17 1 1 A 70 70 SER HA H 70 4.473 4.182 0.291 1
1 791 . 17 1 1 A 70 70 SER C C 70 173.930 174.910 -0.980 1
1 792 . 17 1 1 A 70 70 SER CA C 70 58.406 62.250 -3.844 1
1 793 . 17 1 1 A 70 70 SER CB C 70 64.057 62.842 1.215 1
1 794 . 17 1 1 A 70 70 SER N N 70 117.757 118.360 -0.603 1
1 1 . 18 1 1 A 7 7 GLY HA2 H 7 3.980 4.018 -0.038 1
1 2 . 18 1 1 A 7 7 GLY HA3 H 7 3.980 4.019 -0.039 1
1 3 . 18 1 1 A 7 7 GLY C C 7 173.809 172.979 0.830 1
1 4 . 18 1 1 A 7 7 GLY CA C 7 45.148 44.706 0.442 1
1 5 . 18 1 1 A 8 8 SER H H 8 8.167 8.627 -0.460 1
1 6 . 18 1 1 A 8 8 SER C C 8 172.741 173.034 -0.293 1
1 7 . 18 1 1 A 8 8 SER CA C 8 56.432 55.797 0.635 1
1 8 . 18 1 1 A 8 8 SER CB C 8 63.397 64.050 -0.653 1
1 9 . 18 1 1 A 8 8 SER N N 8 116.986 118.504 -1.518 1
1 10 . 18 1 1 A 9 9 PRO HA H 9 4.471 4.612 -0.141 1
1 17 . 18 1 1 A 9 9 PRO C C 9 176.771 175.271 1.500 1
1 18 . 18 1 1 A 9 9 PRO CA C 9 63.244 62.245 0.999 1
1 19 . 18 1 1 A 9 9 PRO CB C 9 32.121 32.959 -0.838 1
1 22 . 18 1 1 A 10 10 ILE H H 10 8.173 8.413 -0.240 1
1 23 . 18 1 1 A 10 10 ILE HA H 10 4.084 4.843 -0.759 1
1 33 . 18 1 1 A 10 10 ILE C C 10 175.703 175.032 0.671 1
1 34 . 18 1 1 A 10 10 ILE CA C 10 61.051 59.482 1.569 1
1 35 . 18 1 1 A 10 10 ILE CB C 10 38.806 40.643 -1.837 1
1 39 . 18 1 1 A 10 10 ILE N N 10 120.782 120.901 -0.119 1
1 40 . 18 1 1 A 11 11 ASN H H 11 8.538 8.592 -0.054 1
1 41 . 18 1 1 A 11 11 ASN HA H 11 4.992 5.231 -0.239 1
1 46 . 18 1 1 A 11 11 ASN C C 11 173.785 174.540 -0.755 1
1 47 . 18 1 1 A 11 11 ASN CA C 11 50.794 49.104 1.690 1
1 48 . 18 1 1 A 11 11 ASN CB C 11 39.063 40.148 -1.085 1
1 49 . 18 1 1 A 11 11 ASN N N 11 123.456 125.458 -2.002 1
1 51 . 18 1 1 A 12 12 PRO HA H 12 4.328 4.346 -0.018 1
1 58 . 18 1 1 A 12 12 PRO C C 12 176.674 177.591 -0.917 1
1 59 . 18 1 1 A 12 12 PRO CA C 12 63.616 65.290 -1.674 1
1 60 . 18 1 1 A 12 12 PRO CB C 12 31.997 31.810 0.187 1
1 63 . 18 1 1 A 13 13 TYR H H 13 7.994 7.925 0.069 1
1 64 . 18 1 1 A 13 13 TYR HA H 13 4.574 4.747 -0.173 1
1 71 . 18 1 1 A 13 13 TYR C C 13 176.237 177.347 -1.110 1
1 72 . 18 1 1 A 13 13 TYR CA C 13 57.866 58.556 -0.690 1
1 73 . 18 1 1 A 13 13 TYR CB C 13 38.013 39.967 -1.954 1
1 78 . 18 1 1 A 13 13 TYR N N 13 118.352 116.046 2.306 1
1 79 . 18 1 1 A 14 14 LYS H H 14 7.727 7.390 0.337 1
1 80 . 18 1 1 A 14 14 LYS HA H 14 4.131 3.882 0.249 1
1 88 . 18 1 1 A 14 14 LYS C C 14 176.626 178.056 -1.430 1
1 89 . 18 1 1 A 14 14 LYS CA C 14 57.704 58.955 -1.251 1
1 90 . 18 1 1 A 14 14 LYS CB C 14 33.154 31.897 1.257 1
1 94 . 18 1 1 A 14 14 LYS N N 14 121.585 121.908 -0.323 1
1 95 . 18 1 1 A 15 15 ASP H H 15 8.374 8.002 0.372 1
1 96 . 18 1 1 A 15 15 ASP HA H 15 4.620 4.276 0.344 1
1 99 . 18 1 1 A 15 15 ASP C C 15 174.125 178.641 -4.516 1
1 100 . 18 1 1 A 15 15 ASP CA C 15 54.763 56.937 -2.174 1
1 101 . 18 1 1 A 15 15 ASP CB C 15 40.533 40.660 -0.127 1
1 102 . 18 1 1 A 15 15 ASP N N 15 119.870 118.828 1.042 1
1 103 . 18 1 1 A 16 16 HIS H H 16 8.034 8.077 -0.043 1
1 104 . 18 1 1 A 16 16 HIS HA H 16 4.419 4.387 0.032 1
1 109 . 18 1 1 A 16 16 HIS CA C 16 58.742 58.763 -0.021 1
1 110 . 18 1 1 A 16 16 HIS CB C 16 30.675 29.531 1.144 1
1 113 . 18 1 1 A 16 16 HIS N N 16 124.264 117.936 6.328 1
1 114 . 18 1 1 A 17 17 MET H H 17 8.049 7.722 0.327 1
1 115 . 18 1 1 A 17 17 MET HA H 17 4.160 4.016 0.144 1
1 123 . 18 1 1 A 17 17 MET CA C 17 57.275 58.284 -1.009 1
1 124 . 18 1 1 A 17 17 MET CB C 17 31.055 33.417 -2.362 1
1 127 . 18 1 1 A 17 17 MET N N 17 117.829 118.380 -0.551 1
1 128 . 18 1 1 A 18 18 SER HA H 18 4.134 4.112 0.022 1
1 131 . 18 1 1 A 18 18 SER C C 18 176.941 176.302 0.639 1
1 132 . 18 1 1 A 18 18 SER CA C 18 61.889 62.292 -0.403 1
1 133 . 18 1 1 A 18 18 SER CB C 18 62.424 62.502 -0.078 1
1 134 . 18 1 1 A 19 19 VAL H H 19 7.568 7.970 -0.402 1
1 135 . 18 1 1 A 19 19 VAL HA H 19 3.809 3.556 0.253 1
1 143 . 18 1 1 A 19 19 VAL C C 19 177.913 177.624 0.289 1
1 144 . 18 1 1 A 19 19 VAL CA C 19 65.637 65.219 0.418 1
1 145 . 18 1 1 A 19 19 VAL CB C 19 31.737 31.508 0.229 1
1 148 . 18 1 1 A 19 19 VAL N N 19 122.341 120.421 1.920 1
1 149 . 18 1 1 A 20 20 LEU H H 20 7.788 7.908 -0.120 1
1 150 . 18 1 1 A 20 20 LEU HA H 20 3.940 4.050 -0.110 1
1 160 . 18 1 1 A 20 20 LEU C C 20 178.520 179.029 -0.509 1
1 161 . 18 1 1 A 20 20 LEU CA C 20 58.336 57.747 0.589 1
1 162 . 18 1 1 A 20 20 LEU CB C 20 39.138 40.876 -1.738 1
1 166 . 18 1 1 A 20 20 LEU N N 20 120.156 121.075 -0.919 1
1 167 . 18 1 1 A 21 21 LYS H H 21 8.067 8.152 -0.085 1
1 168 . 18 1 1 A 21 21 LYS HA H 21 4.047 4.472 -0.425 1
1 175 . 18 1 1 A 21 21 LYS C C 21 179.102 178.985 0.117 1
1 176 . 18 1 1 A 21 21 LYS CA C 21 60.667 58.902 1.765 1
1 177 . 18 1 1 A 21 21 LYS CB C 21 32.519 32.210 0.309 1
1 181 . 18 1 1 A 21 21 LYS N N 21 117.374 117.152 0.222 1
1 182 . 18 1 1 A 22 22 ALA H H 22 7.718 8.141 -0.423 1
1 183 . 18 1 1 A 22 22 ALA HA H 22 4.217 4.156 0.061 1
1 187 . 18 1 1 A 22 22 ALA C C 22 180.486 179.363 1.123 1
1 188 . 18 1 1 A 22 22 ALA CA C 22 54.954 54.934 0.020 1
1 189 . 18 1 1 A 22 22 ALA CB C 22 17.934 18.217 -0.283 1
1 190 . 18 1 1 A 22 22 ALA N N 22 122.528 122.321 0.207 1
1 191 . 18 1 1 A 23 23 TYR H H 23 8.036 7.420 0.616 1
1 192 . 18 1 1 A 23 23 TYR HA H 23 4.291 4.304 -0.013 1
1 199 . 18 1 1 A 23 23 TYR C C 23 178.860 178.365 0.495 1
1 200 . 18 1 1 A 23 23 TYR CA C 23 62.616 61.462 1.154 1
1 201 . 18 1 1 A 23 23 TYR CB C 23 38.455 38.444 0.011 1
1 206 . 18 1 1 A 23 23 TYR N N 23 117.835 116.412 1.423 1
1 207 . 18 1 1 A 24 24 TYR H H 24 8.856 8.217 0.639 1
1 208 . 18 1 1 A 24 24 TYR HA H 24 4.420 4.733 -0.313 1
1 215 . 18 1 1 A 24 24 TYR C C 24 175.484 177.264 -1.780 1
1 216 . 18 1 1 A 24 24 TYR CA C 24 61.291 61.853 -0.562 1
1 217 . 18 1 1 A 24 24 TYR CB C 24 38.629 38.913 -0.284 1
1 222 . 18 1 1 A 24 24 TYR N N 24 122.534 120.591 1.943 1
1 223 . 18 1 1 A 25 25 ALA H H 25 7.616 8.326 -0.710 1
1 224 . 18 1 1 A 25 25 ALA HA H 25 4.084 4.197 -0.113 1
1 228 . 18 1 1 A 25 25 ALA C C 25 179.224 179.941 -0.717 1
1 229 . 18 1 1 A 25 25 ALA CA C 25 53.893 55.450 -1.557 1
1 230 . 18 1 1 A 25 25 ALA CB C 25 18.433 18.772 -0.339 1
1 231 . 18 1 1 A 25 25 ALA N N 25 116.147 121.638 -5.491 1
1 232 . 18 1 1 A 26 26 MET H H 26 7.379 7.764 -0.385 1
1 233 . 18 1 1 A 26 26 MET HA H 26 4.353 4.431 -0.078 1
1 241 . 18 1 1 A 26 26 MET C C 26 176.529 176.533 -0.004 1
1 242 . 18 1 1 A 26 26 MET CA C 26 56.724 58.509 -1.785 1
1 243 . 18 1 1 A 26 26 MET CB C 26 33.645 33.417 0.228 1
1 246 . 18 1 1 A 26 26 MET N N 26 114.990 116.191 -1.201 1
1 247 . 18 1 1 A 27 27 ASN H H 27 7.865 7.914 -0.049 1
1 248 . 18 1 1 A 27 27 ASN HA H 27 4.562 5.028 -0.466 1
1 253 . 18 1 1 A 27 27 ASN C C 27 173.323 175.624 -2.301 1
1 254 . 18 1 1 A 27 27 ASN CA C 27 53.143 51.667 1.476 1
1 255 . 18 1 1 A 27 27 ASN CB C 27 38.096 40.167 -2.071 1
1 256 . 18 1 1 A 27 27 ASN N N 27 117.385 116.566 0.819 1
1 258 . 18 1 1 A 28 28 MET H H 28 8.400 8.565 -0.165 1
1 259 . 18 1 1 A 28 28 MET HA H 28 4.064 4.035 0.029 1
1 267 . 18 1 1 A 28 28 MET C C 28 175.557 176.391 -0.834 1
1 268 . 18 1 1 A 28 28 MET CA C 28 57.419 58.492 -1.073 1
1 269 . 18 1 1 A 28 28 MET CB C 28 33.795 32.945 0.850 1
1 272 . 18 1 1 A 28 28 MET N N 28 121.660 123.896 -2.236 1
1 273 . 18 1 1 A 29 29 GLU H H 29 7.821 7.633 0.188 1
1 274 . 18 1 1 A 29 29 GLU HA H 29 4.757 4.529 0.228 1
1 279 . 18 1 1 A 29 29 GLU C C 29 172.328 173.029 -0.701 1
1 280 . 18 1 1 A 29 29 GLU CA C 29 53.293 53.226 0.067 1
1 281 . 18 1 1 A 29 29 GLU CB C 29 30.761 30.380 0.381 1
1 283 . 18 1 1 A 29 29 GLU N N 29 116.541 118.529 -1.988 1
1 284 . 18 1 1 A 30 30 PRO HA H 30 4.475 4.436 0.039 1
1 291 . 18 1 1 A 30 30 PRO C C 30 177.014 176.350 0.664 1
1 292 . 18 1 1 A 30 30 PRO CA C 30 62.603 62.260 0.343 1
1 293 . 18 1 1 A 30 30 PRO CB C 30 31.915 32.315 -0.400 1
1 296 . 18 1 1 A 31 31 ASN H H 31 8.909 8.291 0.618 1
1 297 . 18 1 1 A 31 31 ASN HA H 31 4.673 4.894 -0.221 1
1 302 . 18 1 1 A 31 31 ASN C C 31 175.460 176.412 -0.952 1
1 303 . 18 1 1 A 31 31 ASN CA C 31 51.303 51.320 -0.017 1
1 304 . 18 1 1 A 31 31 ASN CB C 31 38.261 39.533 -1.272 1
1 305 . 18 1 1 A 31 31 ASN N N 31 120.499 119.513 0.986 1
1 307 . 18 1 1 A 32 32 SER H H 32 8.486 9.050 -0.564 1
1 308 . 18 1 1 A 32 32 SER HA H 32 4.024 4.076 -0.052 1
1 311 . 18 1 1 A 32 32 SER C C 32 176.650 176.215 0.435 1
1 312 . 18 1 1 A 32 32 SER CA C 32 62.621 62.010 0.611 1
1 313 . 18 1 1 A 32 32 SER CB C 32 62.675 62.684 -0.009 1
1 314 . 18 1 1 A 32 32 SER N N 32 112.460 114.924 -2.464 1
1 315 . 18 1 1 A 33 33 ASP H H 33 7.935 8.240 -0.305 1
1 316 . 18 1 1 A 33 33 ASP HA H 33 4.441 4.252 0.189 1
1 319 . 18 1 1 A 33 33 ASP C C 33 178.811 178.966 -0.155 1
1 320 . 18 1 1 A 33 33 ASP CA C 33 57.456 57.520 -0.064 1
1 321 . 18 1 1 A 33 33 ASP CB C 33 40.870 40.175 0.695 1
1 322 . 18 1 1 A 33 33 ASP N N 33 122.575 122.206 0.369 1
1 323 . 18 1 1 A 34 34 GLU H H 34 8.442 7.837 0.605 1
1 324 . 18 1 1 A 34 34 GLU HA H 34 3.898 3.909 -0.011 1
1 329 . 18 1 1 A 34 34 GLU C C 34 179.127 178.965 0.162 1
1 330 . 18 1 1 A 34 34 GLU CA C 34 59.041 59.080 -0.039 1
1 331 . 18 1 1 A 34 34 GLU CB C 34 29.854 29.349 0.505 1
1 333 . 18 1 1 A 34 34 GLU N N 34 121.743 119.366 2.377 1
1 334 . 18 1 1 A 35 35 LEU H H 35 8.723 8.374 0.349 1
1 335 . 18 1 1 A 35 35 LEU HA H 35 3.735 3.700 0.035 1
1 345 . 18 1 1 A 35 35 LEU C C 35 179.321 179.033 0.288 1
1 346 . 18 1 1 A 35 35 LEU CA C 35 58.118 57.986 0.132 1
1 347 . 18 1 1 A 35 35 LEU CB C 35 42.428 41.578 0.850 1
1 351 . 18 1 1 A 35 35 LEU N N 35 119.674 120.788 -1.114 1
1 352 . 18 1 1 A 36 36 LEU H H 36 7.651 8.063 -0.412 1
1 353 . 18 1 1 A 36 36 LEU HA H 36 4.039 3.917 0.122 1
1 363 . 18 1 1 A 36 36 LEU C C 36 178.908 178.482 0.426 1
1 364 . 18 1 1 A 36 36 LEU CA C 36 58.414 58.703 -0.289 1
1 365 . 18 1 1 A 36 36 LEU CB C 36 41.040 41.954 -0.914 1
1 369 . 18 1 1 A 36 36 LEU N N 36 121.058 119.845 1.213 1
1 370 . 18 1 1 A 37 37 LYS H H 37 7.704 7.789 -0.085 1
1 371 . 18 1 1 A 37 37 LYS HA H 37 3.874 3.918 -0.044 1
1 379 . 18 1 1 A 37 37 LYS C C 37 180.025 179.051 0.974 1
1 380 . 18 1 1 A 37 37 LYS CA C 37 60.345 59.255 1.090 1
1 381 . 18 1 1 A 37 37 LYS CB C 37 32.327 32.441 -0.114 1
1 385 . 18 1 1 A 37 37 LYS N N 37 119.032 117.939 1.093 1
1 386 . 18 1 1 A 38 38 ILE H H 38 8.413 8.203 0.210 1
1 387 . 18 1 1 A 38 38 ILE HA H 38 3.296 3.078 0.218 1
1 397 . 18 1 1 A 38 38 ILE C C 38 177.063 177.417 -0.354 1
1 398 . 18 1 1 A 38 38 ILE CA C 38 65.479 65.105 0.374 1
1 399 . 18 1 1 A 38 38 ILE CB C 38 38.384 37.656 0.728 1
1 403 . 18 1 1 A 38 38 ILE N N 38 120.466 120.588 -0.122 1
1 404 . 18 1 1 A 39 39 SER H H 39 8.183 8.059 0.124 1
1 405 . 18 1 1 A 39 39 SER HA H 39 4.047 4.356 -0.309 1
1 408 . 18 1 1 A 39 39 SER C C 39 176.359 177.310 -0.951 1
1 409 . 18 1 1 A 39 39 SER CA C 39 62.620 60.789 1.831 1
1 410 . 18 1 1 A 39 39 SER CB C 39 62.548 62.983 -0.435 1
1 411 . 18 1 1 A 39 39 SER N N 39 115.371 113.834 1.537 1
1 412 . 18 1 1 A 40 40 ILE H H 40 7.983 7.774 0.209 1
1 413 . 18 1 1 A 40 40 ILE HA H 40 3.785 3.777 0.008 1
1 423 . 18 1 1 A 40 40 ILE C C 40 178.714 177.764 0.950 1
1 424 . 18 1 1 A 40 40 ILE CA C 40 64.307 65.144 -0.837 1
1 425 . 18 1 1 A 40 40 ILE CB C 40 38.440 37.815 0.625 1
1 429 . 18 1 1 A 40 40 ILE N N 40 121.913 123.147 -1.234 1
1 430 . 18 1 1 A 41 41 ALA H H 41 7.886 8.832 -0.946 1
1 431 . 18 1 1 A 41 41 ALA HA H 41 4.157 3.996 0.161 1
1 435 . 18 1 1 A 41 41 ALA C C 41 180.147 179.873 0.274 1
1 436 . 18 1 1 A 41 41 ALA CA C 41 55.268 55.420 -0.152 1
1 437 . 18 1 1 A 41 41 ALA CB C 41 18.646 18.695 -0.049 1
1 438 . 18 1 1 A 41 41 ALA N N 41 122.775 122.208 0.567 1
1 439 . 18 1 1 A 42 42 VAL H H 42 8.268 7.615 0.653 1
1 440 . 18 1 1 A 42 42 VAL HA H 42 4.352 3.904 0.448 1
1 448 . 18 1 1 A 42 42 VAL C C 42 175.849 176.942 -1.093 1
1 449 . 18 1 1 A 42 42 VAL CA C 42 61.352 63.480 -2.128 1
1 450 . 18 1 1 A 42 42 VAL CB C 42 32.632 33.035 -0.403 1
1 453 . 18 1 1 A 42 42 VAL N N 42 108.944 110.269 -1.325 1
1 454 . 18 1 1 A 43 43 GLY H H 43 7.837 7.988 -0.151 1
1 455 . 18 1 1 A 43 43 GLY HA2 H 43 3.937 4.022 -0.085 1
1 456 . 18 1 1 A 43 43 GLY HA3 H 43 3.852 4.060 -0.208 1
1 457 . 18 1 1 A 43 43 GLY C C 43 174.392 174.261 0.131 1
1 458 . 18 1 1 A 43 43 GLY CA C 43 46.770 44.793 1.977 1
1 459 . 18 1 1 A 43 43 GLY N N 43 110.644 111.744 -1.100 1
1 460 . 18 1 1 A 44 44 LEU H H 44 7.483 7.381 0.102 1
1 461 . 18 1 1 A 44 44 LEU HA H 44 4.833 4.489 0.344 1
1 471 . 18 1 1 A 44 44 LEU C C 44 173.348 174.856 -1.508 1
1 472 . 18 1 1 A 44 44 LEU CA C 44 51.178 52.869 -1.691 1
1 473 . 18 1 1 A 44 44 LEU CB C 44 45.096 41.174 3.922 1
1 477 . 18 1 1 A 44 44 LEU N N 44 118.486 122.657 -4.171 1
1 478 . 18 1 1 A 45 45 PRO HA H 45 4.447 4.693 -0.246 1
1 485 . 18 1 1 A 45 45 PRO C C 45 178.301 177.876 0.425 1
1 486 . 18 1 1 A 45 45 PRO CA C 45 62.740 63.035 -0.295 1
1 487 . 18 1 1 A 45 45 PRO CB C 45 32.626 31.654 0.972 1
1 490 . 18 1 1 A 46 46 GLN H H 46 9.200 8.998 0.202 1
1 491 . 18 1 1 A 46 46 GLN HA H 46 4.007 4.027 -0.020 1
1 498 . 18 1 1 A 46 46 GLN C C 46 177.718 177.808 -0.090 1
1 499 . 18 1 1 A 46 46 GLN CA C 46 60.099 59.166 0.933 1
1 500 . 18 1 1 A 46 46 GLN CB C 46 28.371 28.714 -0.343 1
1 502 . 18 1 1 A 46 46 GLN N N 46 125.692 124.825 0.867 1
1 504 . 18 1 1 A 47 47 GLU H H 47 9.618 8.485 1.133 1
1 505 . 18 1 1 A 47 47 GLU HA H 47 4.036 4.092 -0.056 1
1 510 . 18 1 1 A 47 47 GLU C C 47 178.860 179.001 -0.141 1
1 511 . 18 1 1 A 47 47 GLU CA C 47 60.029 59.515 0.514 1
1 512 . 18 1 1 A 47 47 GLU CB C 47 28.746 29.479 -0.733 1
1 514 . 18 1 1 A 47 47 GLU N N 47 117.907 118.865 -0.958 1
1 515 . 18 1 1 A 48 48 PHE H H 48 7.194 8.332 -1.138 1
1 516 . 18 1 1 A 48 48 PHE HA H 48 4.385 4.221 0.164 1
1 524 . 18 1 1 A 48 48 PHE C C 48 177.524 177.506 0.018 1
1 525 . 18 1 1 A 48 48 PHE CA C 48 60.699 61.408 -0.709 1
1 526 . 18 1 1 A 48 48 PHE CB C 48 39.190 39.069 0.121 1
1 532 . 18 1 1 A 48 48 PHE N N 48 119.141 121.838 -2.697 1
1 533 . 18 1 1 A 49 49 VAL H H 49 7.761 8.337 -0.576 1
1 534 . 18 1 1 A 49 49 VAL HA H 49 3.509 3.882 -0.373 1
1 542 . 18 1 1 A 49 49 VAL C C 49 177.306 178.002 -0.696 1
1 543 . 18 1 1 A 49 49 VAL CA C 49 67.242 67.001 0.241 1
1 544 . 18 1 1 A 49 49 VAL CB C 49 31.844 31.724 0.120 1
1 547 . 18 1 1 A 49 49 VAL N N 49 120.478 119.799 0.679 1
1 548 . 18 1 1 A 50 50 LYS H H 50 8.751 8.173 0.578 1
1 549 . 18 1 1 A 50 50 LYS HA H 50 4.023 4.025 -0.002 1
1 557 . 18 1 1 A 50 50 LYS C C 50 178.593 178.591 0.002 1
1 558 . 18 1 1 A 50 50 LYS CA C 50 60.274 59.979 0.295 1
1 559 . 18 1 1 A 50 50 LYS CB C 50 32.821 32.604 0.217 1
1 563 . 18 1 1 A 50 50 LYS N N 50 119.513 120.200 -0.687 1
1 564 . 18 1 1 A 51 51 GLU H H 51 7.636 7.833 -0.197 1
1 565 . 18 1 1 A 51 51 GLU HA H 51 4.110 4.042 0.068 1
1 570 . 18 1 1 A 51 51 GLU C C 51 177.791 179.163 -1.372 1
1 571 . 18 1 1 A 51 51 GLU CA C 51 59.253 59.510 -0.257 1
1 572 . 18 1 1 A 51 51 GLU CB C 51 29.442 29.280 0.162 1
1 574 . 18 1 1 A 51 51 GLU N N 51 118.681 117.551 1.130 1
1 575 . 18 1 1 A 52 52 TRP H H 52 8.396 7.774 0.622 1
1 576 . 18 1 1 A 52 52 TRP HA H 52 3.794 4.311 -0.517 1
1 585 . 18 1 1 A 52 52 TRP C C 52 179.709 178.552 1.157 1
1 586 . 18 1 1 A 52 52 TRP CA C 52 62.688 60.725 1.963 1
1 587 . 18 1 1 A 52 52 TRP CB C 52 28.806 29.288 -0.482 1
1 593 . 18 1 1 A 52 52 TRP N N 52 121.740 121.937 -0.197 1
1 595 . 18 1 1 A 53 53 PHE H H 53 8.602 8.479 0.123 1
1 596 . 18 1 1 A 53 53 PHE HA H 53 3.899 4.303 -0.404 1
1 604 . 18 1 1 A 53 53 PHE C C 53 179.297 178.379 0.918 1
1 605 . 18 1 1 A 53 53 PHE CA C 53 63.414 61.687 1.727 1
1 606 . 18 1 1 A 53 53 PHE CB C 53 39.480 38.881 0.599 1
1 612 . 18 1 1 A 53 53 PHE N N 53 117.648 117.493 0.155 1
1 613 . 18 1 1 A 54 54 GLU H H 54 8.372 8.372 0.000 1
1 614 . 18 1 1 A 54 54 GLU HA H 54 4.070 3.933 0.137 1
1 619 . 18 1 1 A 54 54 GLU C C 54 179.540 179.242 0.298 1
1 620 . 18 1 1 A 54 54 GLU CA C 54 59.676 59.834 -0.158 1
1 621 . 18 1 1 A 54 54 GLU CB C 54 29.448 29.198 0.250 1
1 623 . 18 1 1 A 54 54 GLU N N 54 120.198 118.942 1.256 1
1 624 . 18 1 1 A 55 55 GLN H H 55 8.275 8.555 -0.280 1
1 625 . 18 1 1 A 55 55 GLN HA H 55 3.975 3.946 0.029 1
1 632 . 18 1 1 A 55 55 GLN C C 55 177.913 178.602 -0.689 1
1 633 . 18 1 1 A 55 55 GLN CA C 55 57.773 59.483 -1.710 1
1 634 . 18 1 1 A 55 55 GLN CB C 55 28.075 28.089 -0.014 1
1 636 . 18 1 1 A 55 55 GLN N N 55 117.674 119.188 -1.514 1
1 638 . 18 1 1 A 56 56 ARG H H 56 7.413 7.852 -0.439 1
1 639 . 18 1 1 A 56 56 ARG HA H 56 3.727 4.024 -0.297 1
1 646 . 18 1 1 A 56 56 ARG C C 56 177.670 179.214 -1.544 1
1 647 . 18 1 1 A 56 56 ARG CA C 56 57.278 59.324 -2.046 1
1 648 . 18 1 1 A 56 56 ARG CB C 56 29.564 29.884 -0.320 1
1 651 . 18 1 1 A 56 56 ARG N N 56 119.111 120.964 -1.853 1
1 652 . 18 1 1 A 57 57 LYS H H 57 7.468 8.416 -0.948 1
1 653 . 18 1 1 A 57 57 LYS HA H 57 4.215 4.136 0.079 1
1 662 . 18 1 1 A 57 57 LYS C C 57 177.937 179.532 -1.595 1
1 663 . 18 1 1 A 57 57 LYS CA C 57 58.454 59.554 -1.100 1
1 664 . 18 1 1 A 57 57 LYS CB C 57 32.656 32.338 0.318 1
1 668 . 18 1 1 A 57 57 LYS N N 57 118.984 118.509 0.475 1
1 669 . 18 1 1 A 58 58 VAL H H 58 7.564 7.908 -0.344 1
1 670 . 18 1 1 A 58 58 VAL HA H 58 3.866 3.944 -0.078 1
1 678 . 18 1 1 A 58 58 VAL C C 58 177.306 176.853 0.453 1
1 679 . 18 1 1 A 58 58 VAL CA C 58 64.013 65.674 -1.661 1
1 680 . 18 1 1 A 58 58 VAL CB C 58 32.128 31.706 0.422 1
1 683 . 18 1 1 A 58 58 VAL N N 58 118.037 119.697 -1.660 1
1 684 . 18 1 1 A 59 59 TYR H H 59 7.871 7.567 0.304 1
1 685 . 18 1 1 A 59 59 TYR HA H 59 4.381 4.535 -0.154 1
1 692 . 18 1 1 A 59 59 TYR C C 59 176.577 177.149 -0.572 1
1 693 . 18 1 1 A 59 59 TYR CA C 59 59.112 59.860 -0.748 1
1 694 . 18 1 1 A 59 59 TYR CB C 59 38.382 40.142 -1.760 1
1 699 . 18 1 1 A 59 59 TYR N N 59 121.466 118.211 3.255 1
1 700 . 18 1 1 A 60 60 GLN H H 60 8.074 8.538 -0.464 1
1 701 . 18 1 1 A 60 60 GLN HA H 60 4.103 4.253 -0.150 1
1 708 . 18 1 1 A 60 60 GLN C C 60 176.334 178.392 -2.058 1
1 709 . 18 1 1 A 60 60 GLN CA C 60 56.820 58.656 -1.836 1
1 710 . 18 1 1 A 60 60 GLN CB C 60 29.003 29.457 -0.454 1
1 712 . 18 1 1 A 60 60 GLN N N 60 120.517 120.550 -0.033 1
1 714 . 18 1 1 A 61 61 TYR H H 61 8.001 8.299 -0.298 1
1 715 . 18 1 1 A 61 61 TYR HA H 61 4.544 4.466 0.078 1
1 722 . 18 1 1 A 61 61 TYR C C 61 176.456 174.689 1.767 1
1 723 . 18 1 1 A 61 61 TYR CA C 61 58.442 58.353 0.089 1
1 724 . 18 1 1 A 61 61 TYR CB C 61 38.408 37.723 0.685 1
1 729 . 18 1 1 A 61 61 TYR N N 61 119.641 119.445 0.196 1
1 730 . 18 1 1 A 62 62 SER H H 62 8.071 7.609 0.462 1
1 731 . 18 1 1 A 62 62 SER HA H 62 4.371 4.475 -0.104 1
1 734 . 18 1 1 A 62 62 SER C C 62 174.440 172.803 1.637 1
1 735 . 18 1 1 A 62 62 SER CA C 62 58.830 55.534 3.296 1
1 736 . 18 1 1 A 62 62 SER CB C 62 63.806 65.827 -2.021 1
1 737 . 18 1 1 A 62 62 SER N N 62 116.272 115.898 0.374 1
1 738 . 18 1 1 A 63 63 ASN HA H 63 4.737 5.471 -0.734 1
1 743 . 18 1 1 A 63 63 ASN CA C 63 50.823 51.553 -0.730 1
1 744 . 18 1 1 A 63 63 ASN CB C 63 38.920 40.844 -1.924 1
1 746 . 18 1 1 A 64 64 SER HA H 64 4.407 5.006 -0.599 1
1 749 . 18 1 1 A 64 64 SER C C 64 174.610 174.687 -0.077 1
1 750 . 18 1 1 A 64 64 SER CA C 64 58.794 56.389 2.405 1
1 751 . 18 1 1 A 64 64 SER CB C 64 63.727 65.445 -1.718 1
1 752 . 18 1 1 A 65 65 ARG H H 65 8.263 8.898 -0.635 1
1 753 . 18 1 1 A 65 65 ARG HA H 65 4.405 4.172 0.233 1
1 760 . 18 1 1 A 65 65 ARG C C 65 176.310 176.116 0.194 1
1 761 . 18 1 1 A 65 65 ARG CA C 65 56.185 58.928 -2.743 1
1 762 . 18 1 1 A 65 65 ARG CB C 65 30.643 30.835 -0.192 1
1 765 . 18 1 1 A 65 65 ARG N N 65 122.520 128.210 -5.690 1
1 766 . 18 1 1 A 66 66 SER H H 66 8.253 7.853 0.400 1
1 767 . 18 1 1 A 66 66 SER HA H 66 4.507 4.607 -0.100 1
1 770 . 18 1 1 A 66 66 SER C C 66 174.489 174.963 -0.474 1
1 771 . 18 1 1 A 66 66 SER CA C 66 58.320 57.009 1.311 1
1 772 . 18 1 1 A 66 66 SER CB C 66 63.974 64.118 -0.144 1
1 773 . 18 1 1 A 66 66 SER N N 66 116.498 110.625 5.873 1
1 774 . 18 1 1 A 67 67 GLY H H 67 8.201 8.534 -0.333 1
1 775 . 18 1 1 A 67 67 GLY HA2 H 67 4.113 3.912 0.201 1
1 776 . 18 1 1 A 67 67 GLY C C 67 171.769 174.159 -2.390 1
1 777 . 18 1 1 A 67 67 GLY CA C 67 44.689 47.004 -2.315 1
1 778 . 18 1 1 A 67 67 GLY N N 67 110.648 109.697 0.951 1
1 781 . 18 1 1 A 69 69 SER HA H 69 4.481 4.175 0.306 1
1 784 . 18 1 1 A 69 69 SER C C 69 174.659 174.160 0.499 1
1 785 . 18 1 1 A 69 69 SER CA C 69 58.371 61.210 -2.839 1
1 786 . 18 1 1 A 69 69 SER CB C 69 63.645 63.195 0.450 1
1 787 . 18 1 1 A 70 70 SER H H 70 8.303 7.685 0.618 1
1 788 . 18 1 1 A 70 70 SER HA H 70 4.473 4.999 -0.526 1
1 791 . 18 1 1 A 70 70 SER C C 70 173.930 173.541 0.389 1
1 792 . 18 1 1 A 70 70 SER CA C 70 58.406 57.437 0.969 1
1 793 . 18 1 1 A 70 70 SER CB C 70 64.057 65.587 -1.530 1
1 794 . 18 1 1 A 70 70 SER N N 70 117.757 114.602 3.155 1
1 1 . 19 1 1 A 7 7 GLY HA2 H 7 3.980 4.218 -0.238 1
1 2 . 19 1 1 A 7 7 GLY HA3 H 7 3.980 4.219 -0.239 1
1 3 . 19 1 1 A 7 7 GLY C C 7 173.809 173.188 0.621 1
1 4 . 19 1 1 A 7 7 GLY CA C 7 45.148 46.252 -1.104 1
1 5 . 19 1 1 A 8 8 SER H H 8 8.167 8.645 -0.478 1
1 6 . 19 1 1 A 8 8 SER C C 8 172.741 173.092 -0.351 1
1 7 . 19 1 1 A 8 8 SER CA C 8 56.432 58.491 -2.059 1
1 8 . 19 1 1 A 8 8 SER CB C 8 63.397 61.423 1.974 1
1 9 . 19 1 1 A 8 8 SER N N 8 116.986 114.025 2.961 1
1 10 . 19 1 1 A 9 9 PRO HA H 9 4.471 4.549 -0.078 1
1 17 . 19 1 1 A 9 9 PRO C C 9 176.771 175.312 1.459 1
1 18 . 19 1 1 A 9 9 PRO CA C 9 63.244 62.309 0.935 1
1 19 . 19 1 1 A 9 9 PRO CB C 9 32.121 32.995 -0.874 1
1 22 . 19 1 1 A 10 10 ILE H H 10 8.173 8.374 -0.201 1
1 23 . 19 1 1 A 10 10 ILE HA H 10 4.084 4.774 -0.690 1
1 33 . 19 1 1 A 10 10 ILE C C 10 175.703 175.141 0.562 1
1 34 . 19 1 1 A 10 10 ILE CA C 10 61.051 59.814 1.237 1
1 35 . 19 1 1 A 10 10 ILE CB C 10 38.806 40.199 -1.393 1
1 39 . 19 1 1 A 10 10 ILE N N 10 120.782 120.839 -0.057 1
1 40 . 19 1 1 A 11 11 ASN H H 11 8.538 8.542 -0.004 1
1 41 . 19 1 1 A 11 11 ASN HA H 11 4.992 5.300 -0.308 1
1 46 . 19 1 1 A 11 11 ASN C C 11 173.785 174.382 -0.597 1
1 47 . 19 1 1 A 11 11 ASN CA C 11 50.794 49.593 1.201 1
1 48 . 19 1 1 A 11 11 ASN CB C 11 39.063 39.885 -0.822 1
1 49 . 19 1 1 A 11 11 ASN N N 11 123.456 125.322 -1.866 1
1 51 . 19 1 1 A 12 12 PRO HA H 12 4.328 4.369 -0.041 1
1 58 . 19 1 1 A 12 12 PRO C C 12 176.674 177.573 -0.899 1
1 59 . 19 1 1 A 12 12 PRO CA C 12 63.616 65.311 -1.695 1
1 60 . 19 1 1 A 12 12 PRO CB C 12 31.997 31.847 0.150 1
1 63 . 19 1 1 A 13 13 TYR H H 13 7.994 7.877 0.117 1
1 64 . 19 1 1 A 13 13 TYR HA H 13 4.574 4.916 -0.342 1
1 71 . 19 1 1 A 13 13 TYR C C 13 176.237 177.682 -1.445 1
1 72 . 19 1 1 A 13 13 TYR CA C 13 57.866 58.517 -0.651 1
1 73 . 19 1 1 A 13 13 TYR CB C 13 38.013 39.996 -1.983 1
1 78 . 19 1 1 A 13 13 TYR N N 13 118.352 116.113 2.239 1
1 79 . 19 1 1 A 14 14 LYS H H 14 7.727 7.394 0.333 1
1 80 . 19 1 1 A 14 14 LYS HA H 14 4.131 3.800 0.331 1
1 88 . 19 1 1 A 14 14 LYS C C 14 176.626 178.524 -1.898 1
1 89 . 19 1 1 A 14 14 LYS CA C 14 57.704 59.713 -2.009 1
1 90 . 19 1 1 A 14 14 LYS CB C 14 33.154 32.198 0.956 1
1 94 . 19 1 1 A 14 14 LYS N N 14 121.585 122.535 -0.950 1
1 95 . 19 1 1 A 15 15 ASP H H 15 8.374 7.970 0.404 1
1 96 . 19 1 1 A 15 15 ASP HA H 15 4.620 4.216 0.404 1
1 99 . 19 1 1 A 15 15 ASP C C 15 174.125 178.573 -4.448 1
1 100 . 19 1 1 A 15 15 ASP CA C 15 54.763 57.379 -2.616 1
1 101 . 19 1 1 A 15 15 ASP CB C 15 40.533 41.340 -0.807 1
1 102 . 19 1 1 A 15 15 ASP N N 15 119.870 119.649 0.221 1
1 103 . 19 1 1 A 16 16 HIS H H 16 8.034 8.058 -0.024 1
1 104 . 19 1 1 A 16 16 HIS HA H 16 4.419 4.363 0.056 1
1 109 . 19 1 1 A 16 16 HIS CA C 16 58.742 58.718 0.024 1
1 110 . 19 1 1 A 16 16 HIS CB C 16 30.675 29.515 1.160 1
1 113 . 19 1 1 A 16 16 HIS N N 16 124.264 117.946 6.318 1
1 114 . 19 1 1 A 17 17 MET H H 17 8.049 8.270 -0.221 1
1 115 . 19 1 1 A 17 17 MET HA H 17 4.160 4.120 0.040 1
1 123 . 19 1 1 A 17 17 MET CA C 17 57.275 58.382 -1.107 1
1 124 . 19 1 1 A 17 17 MET CB C 17 31.055 33.507 -2.452 1
1 127 . 19 1 1 A 17 17 MET N N 17 117.829 118.595 -0.766 1
1 128 . 19 1 1 A 18 18 SER HA H 18 4.134 4.135 -0.001 1
1 131 . 19 1 1 A 18 18 SER C C 18 176.941 176.224 0.717 1
1 132 . 19 1 1 A 18 18 SER CA C 18 61.889 62.357 -0.468 1
1 133 . 19 1 1 A 18 18 SER CB C 18 62.424 62.514 -0.090 1
1 134 . 19 1 1 A 19 19 VAL H H 19 7.568 8.212 -0.644 1
1 135 . 19 1 1 A 19 19 VAL HA H 19 3.809 3.640 0.169 1
1 143 . 19 1 1 A 19 19 VAL C C 19 177.913 177.600 0.313 1
1 144 . 19 1 1 A 19 19 VAL CA C 19 65.637 65.510 0.127 1
1 145 . 19 1 1 A 19 19 VAL CB C 19 31.737 31.234 0.503 1
1 148 . 19 1 1 A 19 19 VAL N N 19 122.341 119.925 2.416 1
1 149 . 19 1 1 A 20 20 LEU H H 20 7.788 7.966 -0.178 1
1 150 . 19 1 1 A 20 20 LEU HA H 20 3.940 4.242 -0.302 1
1 160 . 19 1 1 A 20 20 LEU C C 20 178.520 179.244 -0.724 1
1 161 . 19 1 1 A 20 20 LEU CA C 20 58.336 57.728 0.608 1
1 162 . 19 1 1 A 20 20 LEU CB C 20 39.138 40.638 -1.500 1
1 166 . 19 1 1 A 20 20 LEU N N 20 120.156 120.907 -0.751 1
1 167 . 19 1 1 A 21 21 LYS H H 21 8.067 8.151 -0.084 1
1 168 . 19 1 1 A 21 21 LYS HA H 21 4.047 4.518 -0.471 1
1 175 . 19 1 1 A 21 21 LYS C C 21 179.102 179.038 0.064 1
1 176 . 19 1 1 A 21 21 LYS CA C 21 60.667 58.917 1.750 1
1 177 . 19 1 1 A 21 21 LYS CB C 21 32.519 32.224 0.295 1
1 181 . 19 1 1 A 21 21 LYS N N 21 117.374 117.414 -0.040 1
1 182 . 19 1 1 A 22 22 ALA H H 22 7.718 8.006 -0.288 1
1 183 . 19 1 1 A 22 22 ALA HA H 22 4.217 4.179 0.038 1
1 187 . 19 1 1 A 22 22 ALA C C 22 180.486 179.320 1.166 1
1 188 . 19 1 1 A 22 22 ALA CA C 22 54.954 54.893 0.061 1
1 189 . 19 1 1 A 22 22 ALA CB C 22 17.934 18.309 -0.375 1
1 190 . 19 1 1 A 22 22 ALA N N 22 122.528 122.300 0.228 1
1 191 . 19 1 1 A 23 23 TYR H H 23 8.036 7.404 0.632 1
1 192 . 19 1 1 A 23 23 TYR HA H 23 4.291 4.379 -0.088 1
1 199 . 19 1 1 A 23 23 TYR C C 23 178.860 178.475 0.385 1
1 200 . 19 1 1 A 23 23 TYR CA C 23 62.616 61.725 0.891 1
1 201 . 19 1 1 A 23 23 TYR CB C 23 38.455 38.271 0.184 1
1 206 . 19 1 1 A 23 23 TYR N N 23 117.835 116.448 1.387 1
1 207 . 19 1 1 A 24 24 TYR H H 24 8.856 8.269 0.587 1
1 208 . 19 1 1 A 24 24 TYR HA H 24 4.420 4.913 -0.493 1
1 215 . 19 1 1 A 24 24 TYR C C 24 175.484 177.036 -1.552 1
1 216 . 19 1 1 A 24 24 TYR CA C 24 61.291 62.166 -0.875 1
1 217 . 19 1 1 A 24 24 TYR CB C 24 38.629 38.764 -0.135 1
1 222 . 19 1 1 A 24 24 TYR N N 24 122.534 120.692 1.842 1
1 223 . 19 1 1 A 25 25 ALA H H 25 7.616 8.175 -0.559 1
1 224 . 19 1 1 A 25 25 ALA HA H 25 4.084 4.182 -0.098 1
1 228 . 19 1 1 A 25 25 ALA C C 25 179.224 180.362 -1.138 1
1 229 . 19 1 1 A 25 25 ALA CA C 25 53.893 55.531 -1.638 1
1 230 . 19 1 1 A 25 25 ALA CB C 25 18.433 18.692 -0.259 1
1 231 . 19 1 1 A 25 25 ALA N N 25 116.147 121.699 -5.552 1
1 232 . 19 1 1 A 26 26 MET H H 26 7.379 7.887 -0.508 1
1 233 . 19 1 1 A 26 26 MET HA H 26 4.353 4.213 0.140 1
1 241 . 19 1 1 A 26 26 MET C C 26 176.529 176.621 -0.092 1
1 242 . 19 1 1 A 26 26 MET CA C 26 56.724 58.638 -1.914 1
1 243 . 19 1 1 A 26 26 MET CB C 26 33.645 32.957 0.688 1
1 246 . 19 1 1 A 26 26 MET N N 26 114.990 117.048 -2.058 1
1 247 . 19 1 1 A 27 27 ASN H H 27 7.865 8.000 -0.135 1
1 248 . 19 1 1 A 27 27 ASN HA H 27 4.562 5.062 -0.500 1
1 253 . 19 1 1 A 27 27 ASN C C 27 173.323 175.549 -2.226 1
1 254 . 19 1 1 A 27 27 ASN CA C 27 53.143 51.662 1.481 1
1 255 . 19 1 1 A 27 27 ASN CB C 27 38.096 39.669 -1.573 1
1 256 . 19 1 1 A 27 27 ASN N N 27 117.385 116.714 0.671 1
1 258 . 19 1 1 A 28 28 MET H H 28 8.400 8.700 -0.300 1
1 259 . 19 1 1 A 28 28 MET HA H 28 4.064 4.061 0.003 1
1 267 . 19 1 1 A 28 28 MET C C 28 175.557 176.236 -0.679 1
1 268 . 19 1 1 A 28 28 MET CA C 28 57.419 58.364 -0.945 1
1 269 . 19 1 1 A 28 28 MET CB C 28 33.795 32.607 1.188 1
1 272 . 19 1 1 A 28 28 MET N N 28 121.660 124.124 -2.464 1
1 273 . 19 1 1 A 29 29 GLU H H 29 7.821 8.011 -0.190 1
1 274 . 19 1 1 A 29 29 GLU HA H 29 4.757 4.514 0.243 1
1 279 . 19 1 1 A 29 29 GLU C C 29 172.328 173.129 -0.801 1
1 280 . 19 1 1 A 29 29 GLU CA C 29 53.293 53.210 0.083 1
1 281 . 19 1 1 A 29 29 GLU CB C 29 30.761 30.402 0.359 1
1 283 . 19 1 1 A 29 29 GLU N N 29 116.541 118.614 -2.073 1
1 284 . 19 1 1 A 30 30 PRO HA H 30 4.475 4.464 0.011 1
1 291 . 19 1 1 A 30 30 PRO C C 30 177.014 176.162 0.852 1
1 292 . 19 1 1 A 30 30 PRO CA C 30 62.603 62.131 0.472 1
1 293 . 19 1 1 A 30 30 PRO CB C 30 31.915 32.387 -0.472 1
1 296 . 19 1 1 A 31 31 ASN H H 31 8.909 8.316 0.593 1
1 297 . 19 1 1 A 31 31 ASN HA H 31 4.673 4.916 -0.243 1
1 302 . 19 1 1 A 31 31 ASN C C 31 175.460 175.655 -0.195 1
1 303 . 19 1 1 A 31 31 ASN CA C 31 51.303 51.232 0.071 1
1 304 . 19 1 1 A 31 31 ASN CB C 31 38.261 40.146 -1.885 1
1 305 . 19 1 1 A 31 31 ASN N N 31 120.499 118.930 1.569 1
1 307 . 19 1 1 A 32 32 SER H H 32 8.486 8.986 -0.500 1
1 308 . 19 1 1 A 32 32 SER HA H 32 4.024 4.045 -0.021 1
1 311 . 19 1 1 A 32 32 SER C C 32 176.650 176.354 0.296 1
1 312 . 19 1 1 A 32 32 SER CA C 32 62.621 61.598 1.023 1
1 313 . 19 1 1 A 32 32 SER CB C 32 62.675 62.983 -0.308 1
1 314 . 19 1 1 A 32 32 SER N N 32 112.460 115.981 -3.521 1
1 315 . 19 1 1 A 33 33 ASP H H 33 7.935 8.347 -0.412 1
1 316 . 19 1 1 A 33 33 ASP HA H 33 4.441 4.275 0.166 1
1 319 . 19 1 1 A 33 33 ASP C C 33 178.811 179.011 -0.200 1
1 320 . 19 1 1 A 33 33 ASP CA C 33 57.456 57.614 -0.158 1
1 321 . 19 1 1 A 33 33 ASP CB C 33 40.870 40.400 0.470 1
1 322 . 19 1 1 A 33 33 ASP N N 33 122.575 122.008 0.567 1
1 323 . 19 1 1 A 34 34 GLU H H 34 8.442 7.797 0.645 1
1 324 . 19 1 1 A 34 34 GLU HA H 34 3.898 3.956 -0.058 1
1 329 . 19 1 1 A 34 34 GLU C C 34 179.127 178.967 0.160 1
1 330 . 19 1 1 A 34 34 GLU CA C 34 59.041 59.220 -0.179 1
1 331 . 19 1 1 A 34 34 GLU CB C 34 29.854 29.416 0.438 1
1 333 . 19 1 1 A 34 34 GLU N N 34 121.743 119.242 2.501 1
1 334 . 19 1 1 A 35 35 LEU H H 35 8.723 8.438 0.285 1
1 335 . 19 1 1 A 35 35 LEU HA H 35 3.735 3.701 0.034 1
1 345 . 19 1 1 A 35 35 LEU C C 35 179.321 178.679 0.642 1
1 346 . 19 1 1 A 35 35 LEU CA C 35 58.118 57.986 0.132 1
1 347 . 19 1 1 A 35 35 LEU CB C 35 42.428 41.559 0.869 1
1 351 . 19 1 1 A 35 35 LEU N N 35 119.674 120.673 -0.999 1
1 352 . 19 1 1 A 36 36 LEU H H 36 7.651 8.337 -0.686 1
1 353 . 19 1 1 A 36 36 LEU HA H 36 4.039 3.934 0.105 1
1 363 . 19 1 1 A 36 36 LEU C C 36 178.908 178.550 0.358 1
1 364 . 19 1 1 A 36 36 LEU CA C 36 58.414 58.629 -0.215 1
1 365 . 19 1 1 A 36 36 LEU CB C 36 41.040 41.918 -0.878 1
1 369 . 19 1 1 A 36 36 LEU N N 36 121.058 119.828 1.230 1
1 370 . 19 1 1 A 37 37 LYS H H 37 7.704 7.712 -0.008 1
1 371 . 19 1 1 A 37 37 LYS HA H 37 3.874 3.915 -0.041 1
1 379 . 19 1 1 A 37 37 LYS C C 37 180.025 178.951 1.074 1
1 380 . 19 1 1 A 37 37 LYS CA C 37 60.345 59.263 1.082 1
1 381 . 19 1 1 A 37 37 LYS CB C 37 32.327 32.314 0.013 1
1 385 . 19 1 1 A 37 37 LYS N N 37 119.032 117.718 1.314 1
1 386 . 19 1 1 A 38 38 ILE H H 38 8.413 8.329 0.084 1
1 387 . 19 1 1 A 38 38 ILE HA H 38 3.296 3.247 0.049 1
1 397 . 19 1 1 A 38 38 ILE C C 38 177.063 178.040 -0.977 1
1 398 . 19 1 1 A 38 38 ILE CA C 38 65.479 65.061 0.418 1
1 399 . 19 1 1 A 38 38 ILE CB C 38 38.384 37.599 0.785 1
1 403 . 19 1 1 A 38 38 ILE N N 38 120.466 121.392 -0.926 1
1 404 . 19 1 1 A 39 39 SER H H 39 8.183 8.035 0.148 1
1 405 . 19 1 1 A 39 39 SER HA H 39 4.047 4.328 -0.281 1
1 408 . 19 1 1 A 39 39 SER C C 39 176.359 177.572 -1.213 1
1 409 . 19 1 1 A 39 39 SER CA C 39 62.620 61.018 1.602 1
1 410 . 19 1 1 A 39 39 SER CB C 39 62.548 62.797 -0.249 1
1 411 . 19 1 1 A 39 39 SER N N 39 115.371 113.908 1.463 1
1 412 . 19 1 1 A 40 40 ILE H H 40 7.983 7.802 0.181 1
1 413 . 19 1 1 A 40 40 ILE HA H 40 3.785 3.727 0.058 1
1 423 . 19 1 1 A 40 40 ILE C C 40 178.714 177.929 0.785 1
1 424 . 19 1 1 A 40 40 ILE CA C 40 64.307 65.315 -1.008 1
1 425 . 19 1 1 A 40 40 ILE CB C 40 38.440 37.815 0.625 1
1 429 . 19 1 1 A 40 40 ILE N N 40 121.913 123.410 -1.497 1
1 430 . 19 1 1 A 41 41 ALA H H 41 7.886 8.824 -0.938 1
1 431 . 19 1 1 A 41 41 ALA HA H 41 4.157 4.007 0.150 1
1 435 . 19 1 1 A 41 41 ALA C C 41 180.147 179.705 0.442 1
1 436 . 19 1 1 A 41 41 ALA CA C 41 55.268 55.411 -0.143 1
1 437 . 19 1 1 A 41 41 ALA CB C 41 18.646 18.642 0.004 1
1 438 . 19 1 1 A 41 41 ALA N N 41 122.775 122.111 0.664 1
1 439 . 19 1 1 A 42 42 VAL H H 42 8.268 7.628 0.640 1
1 440 . 19 1 1 A 42 42 VAL HA H 42 4.352 4.127 0.225 1
1 448 . 19 1 1 A 42 42 VAL C C 42 175.849 176.986 -1.137 1
1 449 . 19 1 1 A 42 42 VAL CA C 42 61.352 63.561 -2.209 1
1 450 . 19 1 1 A 42 42 VAL CB C 42 32.632 33.242 -0.610 1
1 453 . 19 1 1 A 42 42 VAL N N 42 108.944 110.514 -1.570 1
1 454 . 19 1 1 A 43 43 GLY H H 43 7.837 8.065 -0.228 1
1 455 . 19 1 1 A 43 43 GLY HA2 H 43 3.937 3.981 -0.044 1
1 456 . 19 1 1 A 43 43 GLY HA3 H 43 3.852 3.990 -0.138 1
1 457 . 19 1 1 A 43 43 GLY C C 43 174.392 174.180 0.212 1
1 458 . 19 1 1 A 43 43 GLY CA C 43 46.770 44.806 1.964 1
1 459 . 19 1 1 A 43 43 GLY N N 43 110.644 111.764 -1.120 1
1 460 . 19 1 1 A 44 44 LEU H H 44 7.483 7.641 -0.158 1
1 461 . 19 1 1 A 44 44 LEU HA H 44 4.833 4.416 0.417 1
1 471 . 19 1 1 A 44 44 LEU C C 44 173.348 174.809 -1.461 1
1 472 . 19 1 1 A 44 44 LEU CA C 44 51.178 52.890 -1.712 1
1 473 . 19 1 1 A 44 44 LEU CB C 44 45.096 41.122 3.974 1
1 477 . 19 1 1 A 44 44 LEU N N 44 118.486 122.874 -4.388 1
1 478 . 19 1 1 A 45 45 PRO HA H 45 4.447 4.709 -0.262 1
1 485 . 19 1 1 A 45 45 PRO C C 45 178.301 177.864 0.437 1
1 486 . 19 1 1 A 45 45 PRO CA C 45 62.740 63.031 -0.291 1
1 487 . 19 1 1 A 45 45 PRO CB C 45 32.626 31.768 0.858 1
1 490 . 19 1 1 A 46 46 GLN H H 46 9.200 8.966 0.234 1
1 491 . 19 1 1 A 46 46 GLN HA H 46 4.007 4.011 -0.004 1
1 498 . 19 1 1 A 46 46 GLN C C 46 177.718 177.881 -0.163 1
1 499 . 19 1 1 A 46 46 GLN CA C 46 60.099 59.276 0.823 1
1 500 . 19 1 1 A 46 46 GLN CB C 46 28.371 28.701 -0.330 1
1 502 . 19 1 1 A 46 46 GLN N N 46 125.692 124.457 1.235 1
1 504 . 19 1 1 A 47 47 GLU H H 47 9.618 8.538 1.080 1
1 505 . 19 1 1 A 47 47 GLU HA H 47 4.036 4.113 -0.077 1
1 510 . 19 1 1 A 47 47 GLU C C 47 178.860 179.119 -0.259 1
1 511 . 19 1 1 A 47 47 GLU CA C 47 60.029 59.520 0.509 1
1 512 . 19 1 1 A 47 47 GLU CB C 47 28.746 29.695 -0.949 1
1 514 . 19 1 1 A 47 47 GLU N N 47 117.907 118.757 -0.850 1
1 515 . 19 1 1 A 48 48 PHE H H 48 7.194 8.113 -0.919 1
1 516 . 19 1 1 A 48 48 PHE HA H 48 4.385 4.254 0.131 1
1 524 . 19 1 1 A 48 48 PHE C C 48 177.524 177.425 0.099 1
1 525 . 19 1 1 A 48 48 PHE CA C 48 60.699 61.272 -0.573 1
1 526 . 19 1 1 A 48 48 PHE CB C 48 39.190 39.034 0.156 1
1 532 . 19 1 1 A 48 48 PHE N N 48 119.141 121.157 -2.016 1
1 533 . 19 1 1 A 49 49 VAL H H 49 7.761 8.467 -0.706 1
1 534 . 19 1 1 A 49 49 VAL HA H 49 3.509 4.017 -0.508 1
1 542 . 19 1 1 A 49 49 VAL C C 49 177.306 178.049 -0.743 1
1 543 . 19 1 1 A 49 49 VAL CA C 49 67.242 66.908 0.334 1
1 544 . 19 1 1 A 49 49 VAL CB C 49 31.844 31.736 0.108 1
1 547 . 19 1 1 A 49 49 VAL N N 49 120.478 119.884 0.594 1
1 548 . 19 1 1 A 50 50 LYS H H 50 8.751 8.388 0.363 1
1 549 . 19 1 1 A 50 50 LYS HA H 50 4.023 4.036 -0.013 1
1 557 . 19 1 1 A 50 50 LYS C C 50 178.593 178.801 -0.208 1
1 558 . 19 1 1 A 50 50 LYS CA C 50 60.274 59.940 0.334 1
1 559 . 19 1 1 A 50 50 LYS CB C 50 32.821 32.653 0.168 1
1 563 . 19 1 1 A 50 50 LYS N N 50 119.513 120.254 -0.741 1
1 564 . 19 1 1 A 51 51 GLU H H 51 7.636 7.687 -0.051 1
1 565 . 19 1 1 A 51 51 GLU HA H 51 4.110 4.195 -0.085 1
1 570 . 19 1 1 A 51 51 GLU C C 51 177.791 178.827 -1.036 1
1 571 . 19 1 1 A 51 51 GLU CA C 51 59.253 59.567 -0.314 1
1 572 . 19 1 1 A 51 51 GLU CB C 51 29.442 29.266 0.176 1
1 574 . 19 1 1 A 51 51 GLU N N 51 118.681 117.528 1.153 1
1 575 . 19 1 1 A 52 52 TRP H H 52 8.396 7.863 0.533 1
1 576 . 19 1 1 A 52 52 TRP HA H 52 3.794 4.263 -0.469 1
1 585 . 19 1 1 A 52 52 TRP C C 52 179.709 178.581 1.128 1
1 586 . 19 1 1 A 52 52 TRP CA C 52 62.688 60.520 2.168 1
1 587 . 19 1 1 A 52 52 TRP CB C 52 28.806 29.634 -0.828 1
1 593 . 19 1 1 A 52 52 TRP N N 52 121.740 122.163 -0.423 1
1 595 . 19 1 1 A 53 53 PHE H H 53 8.602 8.085 0.517 1
1 596 . 19 1 1 A 53 53 PHE HA H 53 3.899 4.313 -0.414 1
1 604 . 19 1 1 A 53 53 PHE C C 53 179.297 178.529 0.768 1
1 605 . 19 1 1 A 53 53 PHE CA C 53 63.414 61.747 1.667 1
1 606 . 19 1 1 A 53 53 PHE CB C 53 39.480 38.683 0.797 1
1 612 . 19 1 1 A 53 53 PHE N N 53 117.648 117.501 0.147 1
1 613 . 19 1 1 A 54 54 GLU H H 54 8.372 8.536 -0.164 1
1 614 . 19 1 1 A 54 54 GLU HA H 54 4.070 3.981 0.089 1
1 619 . 19 1 1 A 54 54 GLU C C 54 179.540 179.153 0.387 1
1 620 . 19 1 1 A 54 54 GLU CA C 54 59.676 59.972 -0.296 1
1 621 . 19 1 1 A 54 54 GLU CB C 54 29.448 29.055 0.393 1
1 623 . 19 1 1 A 54 54 GLU N N 54 120.198 118.158 2.040 1
1 624 . 19 1 1 A 55 55 GLN H H 55 8.275 8.576 -0.301 1
1 625 . 19 1 1 A 55 55 GLN HA H 55 3.975 3.817 0.158 1
1 632 . 19 1 1 A 55 55 GLN C C 55 177.913 178.532 -0.619 1
1 633 . 19 1 1 A 55 55 GLN CA C 55 57.773 59.376 -1.603 1
1 634 . 19 1 1 A 55 55 GLN CB C 55 28.075 28.146 -0.071 1
1 636 . 19 1 1 A 55 55 GLN N N 55 117.674 119.001 -1.327 1
1 638 . 19 1 1 A 56 56 ARG H H 56 7.413 7.598 -0.185 1
1 639 . 19 1 1 A 56 56 ARG HA H 56 3.727 4.163 -0.436 1
1 646 . 19 1 1 A 56 56 ARG C C 56 177.670 178.445 -0.775 1
1 647 . 19 1 1 A 56 56 ARG CA C 56 57.278 58.957 -1.679 1
1 648 . 19 1 1 A 56 56 ARG CB C 56 29.564 29.954 -0.390 1
1 651 . 19 1 1 A 56 56 ARG N N 56 119.111 120.993 -1.882 1
1 652 . 19 1 1 A 57 57 LYS H H 57 7.468 8.405 -0.937 1
1 653 . 19 1 1 A 57 57 LYS HA H 57 4.215 4.312 -0.097 1
1 662 . 19 1 1 A 57 57 LYS C C 57 177.937 178.974 -1.037 1
1 663 . 19 1 1 A 57 57 LYS CA C 57 58.454 59.115 -0.661 1
1 664 . 19 1 1 A 57 57 LYS CB C 57 32.656 32.559 0.097 1
1 668 . 19 1 1 A 57 57 LYS N N 57 118.984 119.134 -0.150 1
1 669 . 19 1 1 A 58 58 VAL H H 58 7.564 8.085 -0.521 1
1 670 . 19 1 1 A 58 58 VAL HA H 58 3.866 3.686 0.180 1
1 678 . 19 1 1 A 58 58 VAL C C 58 177.306 177.170 0.136 1
1 679 . 19 1 1 A 58 58 VAL CA C 58 64.013 65.627 -1.614 1
1 680 . 19 1 1 A 58 58 VAL CB C 58 32.128 31.375 0.753 1
1 683 . 19 1 1 A 58 58 VAL N N 58 118.037 119.930 -1.893 1
1 684 . 19 1 1 A 59 59 TYR H H 59 7.871 6.975 0.896 1
1 685 . 19 1 1 A 59 59 TYR HA H 59 4.381 4.467 -0.086 1
1 692 . 19 1 1 A 59 59 TYR C C 59 176.577 178.795 -2.218 1
1 693 . 19 1 1 A 59 59 TYR CA C 59 59.112 60.587 -1.475 1
1 694 . 19 1 1 A 59 59 TYR CB C 59 38.382 39.141 -0.759 1
1 699 . 19 1 1 A 59 59 TYR N N 59 121.466 118.839 2.627 1
1 700 . 19 1 1 A 60 60 GLN H H 60 8.074 8.082 -0.008 1
1 701 . 19 1 1 A 60 60 GLN HA H 60 4.103 4.126 -0.023 1
1 708 . 19 1 1 A 60 60 GLN C C 60 176.334 177.170 -0.836 1
1 709 . 19 1 1 A 60 60 GLN CA C 60 56.820 58.294 -1.474 1
1 710 . 19 1 1 A 60 60 GLN CB C 60 29.003 28.508 0.495 1
1 712 . 19 1 1 A 60 60 GLN N N 60 120.517 117.438 3.079 1
1 714 . 19 1 1 A 61 61 TYR H H 61 8.001 7.935 0.066 1
1 715 . 19 1 1 A 61 61 TYR HA H 61 4.544 4.448 0.096 1
1 722 . 19 1 1 A 61 61 TYR C C 61 176.456 176.359 0.097 1
1 723 . 19 1 1 A 61 61 TYR CA C 61 58.442 59.568 -1.126 1
1 724 . 19 1 1 A 61 61 TYR CB C 61 38.408 39.575 -1.167 1
1 729 . 19 1 1 A 61 61 TYR N N 61 119.641 118.534 1.107 1
1 730 . 19 1 1 A 62 62 SER H H 62 8.071 7.682 0.389 1
1 731 . 19 1 1 A 62 62 SER HA H 62 4.371 4.523 -0.152 1
1 734 . 19 1 1 A 62 62 SER C C 62 174.440 174.440 0.000 1
1 735 . 19 1 1 A 62 62 SER CA C 62 58.830 57.458 1.372 1
1 736 . 19 1 1 A 62 62 SER CB C 62 63.806 63.859 -0.053 1
1 737 . 19 1 1 A 62 62 SER N N 62 116.272 113.649 2.623 1
1 738 . 19 1 1 A 63 63 ASN HA H 63 4.737 4.447 0.290 1
1 743 . 19 1 1 A 63 63 ASN CA C 63 50.823 56.043 -5.220 1
1 744 . 19 1 1 A 63 63 ASN CB C 63 38.920 38.630 0.290 1
1 746 . 19 1 1 A 64 64 SER HA H 64 4.407 4.274 0.133 1
1 749 . 19 1 1 A 64 64 SER C C 64 174.610 175.228 -0.618 1
1 750 . 19 1 1 A 64 64 SER CA C 64 58.794 61.444 -2.650 1
1 751 . 19 1 1 A 64 64 SER CB C 64 63.727 62.538 1.189 1
1 752 . 19 1 1 A 65 65 ARG H H 65 8.263 7.473 0.790 1
1 753 . 19 1 1 A 65 65 ARG HA H 65 4.405 4.411 -0.006 1
1 760 . 19 1 1 A 65 65 ARG C C 65 176.310 176.042 0.268 1
1 761 . 19 1 1 A 65 65 ARG CA C 65 56.185 56.552 -0.367 1
1 762 . 19 1 1 A 65 65 ARG CB C 65 30.643 31.194 -0.551 1
1 765 . 19 1 1 A 65 65 ARG N N 65 122.520 122.804 -0.284 1
1 766 . 19 1 1 A 66 66 SER H H 66 8.253 8.693 -0.440 1
1 767 . 19 1 1 A 66 66 SER HA H 66 4.507 5.204 -0.697 1
1 770 . 19 1 1 A 66 66 SER C C 66 174.489 173.340 1.149 1
1 771 . 19 1 1 A 66 66 SER CA C 66 58.320 56.347 1.973 1
1 772 . 19 1 1 A 66 66 SER CB C 66 63.974 65.955 -1.981 1
1 773 . 19 1 1 A 66 66 SER N N 66 116.498 117.488 -0.990 1
1 774 . 19 1 1 A 67 67 GLY H H 67 8.201 8.299 -0.098 1
1 775 . 19 1 1 A 67 67 GLY HA2 H 67 4.113 4.200 -0.087 1
1 776 . 19 1 1 A 67 67 GLY C C 67 171.769 174.162 -2.393 1
1 777 . 19 1 1 A 67 67 GLY CA C 67 44.689 44.879 -0.190 1
1 778 . 19 1 1 A 67 67 GLY N N 67 110.648 107.373 3.275 1
1 781 . 19 1 1 A 69 69 SER HA H 69 4.481 3.959 0.522 1
1 784 . 19 1 1 A 69 69 SER C C 69 174.659 174.672 -0.013 1
1 785 . 19 1 1 A 69 69 SER CA C 69 58.371 61.144 -2.773 1
1 786 . 19 1 1 A 69 69 SER CB C 69 63.645 62.798 0.847 1
1 787 . 19 1 1 A 70 70 SER H H 70 8.303 7.977 0.326 1
1 788 . 19 1 1 A 70 70 SER HA H 70 4.473 4.692 -0.219 1
1 791 . 19 1 1 A 70 70 SER C C 70 173.930 174.020 -0.090 1
1 792 . 19 1 1 A 70 70 SER CA C 70 58.406 56.753 1.653 1
1 793 . 19 1 1 A 70 70 SER CB C 70 64.057 64.094 -0.037 1
1 794 . 19 1 1 A 70 70 SER N N 70 117.757 115.193 2.564 1
1 1 . 20 1 1 A 7 7 GLY HA2 H 7 3.980 4.116 -0.136 1
1 2 . 20 1 1 A 7 7 GLY HA3 H 7 3.980 4.117 -0.137 1
1 3 . 20 1 1 A 7 7 GLY C C 7 173.809 171.243 2.566 1
1 4 . 20 1 1 A 7 7 GLY CA C 7 45.148 44.449 0.699 1
1 5 . 20 1 1 A 8 8 SER H H 8 8.167 8.406 -0.239 1
1 6 . 20 1 1 A 8 8 SER C C 8 172.741 172.060 0.681 1
1 7 . 20 1 1 A 8 8 SER CA C 8 56.432 55.393 1.039 1
1 8 . 20 1 1 A 8 8 SER CB C 8 63.397 65.600 -2.203 1
1 9 . 20 1 1 A 8 8 SER N N 8 116.986 114.977 2.009 1
1 10 . 20 1 1 A 9 9 PRO HA H 9 4.471 4.745 -0.274 1
1 17 . 20 1 1 A 9 9 PRO C C 9 176.771 175.980 0.791 1
1 18 . 20 1 1 A 9 9 PRO CA C 9 63.244 62.774 0.470 1
1 19 . 20 1 1 A 9 9 PRO CB C 9 32.121 31.677 0.444 1
1 22 . 20 1 1 A 10 10 ILE H H 10 8.173 8.687 -0.514 1
1 23 . 20 1 1 A 10 10 ILE HA H 10 4.084 4.796 -0.712 1
1 33 . 20 1 1 A 10 10 ILE C C 10 175.703 174.555 1.148 1
1 34 . 20 1 1 A 10 10 ILE CA C 10 61.051 59.417 1.634 1
1 35 . 20 1 1 A 10 10 ILE CB C 10 38.806 42.173 -3.367 1
1 39 . 20 1 1 A 10 10 ILE N N 10 120.782 124.751 -3.969 1
1 40 . 20 1 1 A 11 11 ASN H H 11 8.538 8.764 -0.226 1
1 41 . 20 1 1 A 11 11 ASN HA H 11 4.992 5.311 -0.319 1
1 46 . 20 1 1 A 11 11 ASN C C 11 173.785 174.424 -0.639 1
1 47 . 20 1 1 A 11 11 ASN CA C 11 50.794 49.521 1.273 1
1 48 . 20 1 1 A 11 11 ASN CB C 11 39.063 39.572 -0.509 1
1 49 . 20 1 1 A 11 11 ASN N N 11 123.456 125.122 -1.666 1
1 51 . 20 1 1 A 12 12 PRO HA H 12 4.328 4.333 -0.005 1
1 58 . 20 1 1 A 12 12 PRO C C 12 176.674 177.541 -0.867 1
1 59 . 20 1 1 A 12 12 PRO CA C 12 63.616 65.251 -1.635 1
1 60 . 20 1 1 A 12 12 PRO CB C 12 31.997 31.813 0.184 1
1 63 . 20 1 1 A 13 13 TYR H H 13 7.994 7.906 0.088 1
1 64 . 20 1 1 A 13 13 TYR HA H 13 4.574 4.689 -0.115 1
1 71 . 20 1 1 A 13 13 TYR C C 13 176.237 177.632 -1.395 1
1 72 . 20 1 1 A 13 13 TYR CA C 13 57.866 58.452 -0.586 1
1 73 . 20 1 1 A 13 13 TYR CB C 13 38.013 39.971 -1.958 1
1 78 . 20 1 1 A 13 13 TYR N N 13 118.352 115.863 2.489 1
1 79 . 20 1 1 A 14 14 LYS H H 14 7.727 7.309 0.418 1
1 80 . 20 1 1 A 14 14 LYS HA H 14 4.131 3.801 0.330 1
1 88 . 20 1 1 A 14 14 LYS C C 14 176.626 178.657 -2.031 1
1 89 . 20 1 1 A 14 14 LYS CA C 14 57.704 59.777 -2.073 1
1 90 . 20 1 1 A 14 14 LYS CB C 14 33.154 32.163 0.991 1
1 94 . 20 1 1 A 14 14 LYS N N 14 121.585 122.203 -0.618 1
1 95 . 20 1 1 A 15 15 ASP H H 15 8.374 8.095 0.279 1
1 96 . 20 1 1 A 15 15 ASP HA H 15 4.620 4.260 0.360 1
1 99 . 20 1 1 A 15 15 ASP C C 15 174.125 178.313 -4.188 1
1 100 . 20 1 1 A 15 15 ASP CA C 15 54.763 57.385 -2.622 1
1 101 . 20 1 1 A 15 15 ASP CB C 15 40.533 41.652 -1.119 1
1 102 . 20 1 1 A 15 15 ASP N N 15 119.870 119.362 0.508 1
1 103 . 20 1 1 A 16 16 HIS H H 16 8.034 8.374 -0.340 1
1 104 . 20 1 1 A 16 16 HIS HA H 16 4.419 4.325 0.094 1
1 109 . 20 1 1 A 16 16 HIS CA C 16 58.742 59.273 -0.531 1
1 110 . 20 1 1 A 16 16 HIS CB C 16 30.675 29.689 0.986 1
1 113 . 20 1 1 A 16 16 HIS N N 16 124.264 118.059 6.205 1
1 114 . 20 1 1 A 17 17 MET H H 17 8.049 8.162 -0.113 1
1 115 . 20 1 1 A 17 17 MET HA H 17 4.160 4.082 0.078 1
1 123 . 20 1 1 A 17 17 MET CA C 17 57.275 58.106 -0.831 1
1 124 . 20 1 1 A 17 17 MET CB C 17 31.055 33.068 -2.013 1
1 127 . 20 1 1 A 17 17 MET N N 17 117.829 117.873 -0.044 1
1 128 . 20 1 1 A 18 18 SER HA H 18 4.134 4.224 -0.090 1
1 131 . 20 1 1 A 18 18 SER C C 18 176.941 176.697 0.244 1
1 132 . 20 1 1 A 18 18 SER CA C 18 61.889 61.162 0.727 1
1 133 . 20 1 1 A 18 18 SER CB C 18 62.424 62.559 -0.135 1
1 134 . 20 1 1 A 19 19 VAL H H 19 7.568 7.922 -0.354 1
1 135 . 20 1 1 A 19 19 VAL HA H 19 3.809 3.558 0.251 1
1 143 . 20 1 1 A 19 19 VAL C C 19 177.913 177.305 0.608 1
1 144 . 20 1 1 A 19 19 VAL CA C 19 65.637 65.432 0.205 1
1 145 . 20 1 1 A 19 19 VAL CB C 19 31.737 31.785 -0.048 1
1 148 . 20 1 1 A 19 19 VAL N N 19 122.341 120.376 1.965 1
1 149 . 20 1 1 A 20 20 LEU H H 20 7.788 7.547 0.241 1
1 150 . 20 1 1 A 20 20 LEU HA H 20 3.940 3.995 -0.055 1
1 160 . 20 1 1 A 20 20 LEU C C 20 178.520 179.555 -1.035 1
1 161 . 20 1 1 A 20 20 LEU CA C 20 58.336 57.587 0.749 1
1 162 . 20 1 1 A 20 20 LEU CB C 20 39.138 40.769 -1.631 1
1 166 . 20 1 1 A 20 20 LEU N N 20 120.156 120.909 -0.753 1
1 167 . 20 1 1 A 21 21 LYS H H 21 8.067 8.322 -0.255 1
1 168 . 20 1 1 A 21 21 LYS HA H 21 4.047 4.262 -0.215 1
1 175 . 20 1 1 A 21 21 LYS C C 21 179.102 179.426 -0.324 1
1 176 . 20 1 1 A 21 21 LYS CA C 21 60.667 59.559 1.108 1
1 177 . 20 1 1 A 21 21 LYS CB C 21 32.519 32.285 0.234 1
1 181 . 20 1 1 A 21 21 LYS N N 21 117.374 117.982 -0.608 1
1 182 . 20 1 1 A 22 22 ALA H H 22 7.718 8.210 -0.492 1
1 183 . 20 1 1 A 22 22 ALA HA H 22 4.217 4.106 0.111 1
1 187 . 20 1 1 A 22 22 ALA C C 22 180.486 179.250 1.236 1
1 188 . 20 1 1 A 22 22 ALA CA C 22 54.954 55.077 -0.123 1
1 189 . 20 1 1 A 22 22 ALA CB C 22 17.934 17.980 -0.046 1
1 190 . 20 1 1 A 22 22 ALA N N 22 122.528 122.450 0.078 1
1 191 . 20 1 1 A 23 23 TYR H H 23 8.036 7.660 0.376 1
1 192 . 20 1 1 A 23 23 TYR HA H 23 4.291 4.409 -0.118 1
1 199 . 20 1 1 A 23 23 TYR C C 23 178.860 178.470 0.390 1
1 200 . 20 1 1 A 23 23 TYR CA C 23 62.616 61.385 1.231 1
1 201 . 20 1 1 A 23 23 TYR CB C 23 38.455 38.193 0.262 1
1 206 . 20 1 1 A 23 23 TYR N N 23 117.835 115.991 1.844 1
1 207 . 20 1 1 A 24 24 TYR H H 24 8.856 8.141 0.715 1
1 208 . 20 1 1 A 24 24 TYR HA H 24 4.420 4.898 -0.478 1
1 215 . 20 1 1 A 24 24 TYR C C 24 175.484 177.019 -1.535 1
1 216 . 20 1 1 A 24 24 TYR CA C 24 61.291 62.137 -0.846 1
1 217 . 20 1 1 A 24 24 TYR CB C 24 38.629 38.718 -0.089 1
1 222 . 20 1 1 A 24 24 TYR N N 24 122.534 120.524 2.010 1
1 223 . 20 1 1 A 25 25 ALA H H 25 7.616 8.532 -0.916 1
1 224 . 20 1 1 A 25 25 ALA HA H 25 4.084 4.207 -0.123 1
1 228 . 20 1 1 A 25 25 ALA C C 25 179.224 179.927 -0.703 1
1 229 . 20 1 1 A 25 25 ALA CA C 25 53.893 55.456 -1.563 1
1 230 . 20 1 1 A 25 25 ALA CB C 25 18.433 18.671 -0.238 1
1 231 . 20 1 1 A 25 25 ALA N N 25 116.147 121.701 -5.554 1
1 232 . 20 1 1 A 26 26 MET H H 26 7.379 7.925 -0.546 1
1 233 . 20 1 1 A 26 26 MET HA H 26 4.353 4.387 -0.034 1
1 241 . 20 1 1 A 26 26 MET C C 26 176.529 176.159 0.370 1
1 242 . 20 1 1 A 26 26 MET CA C 26 56.724 58.381 -1.657 1
1 243 . 20 1 1 A 26 26 MET CB C 26 33.645 33.405 0.240 1
1 246 . 20 1 1 A 26 26 MET N N 26 114.990 116.441 -1.451 1
1 247 . 20 1 1 A 27 27 ASN H H 27 7.865 8.226 -0.361 1
1 248 . 20 1 1 A 27 27 ASN HA H 27 4.562 4.964 -0.402 1
1 253 . 20 1 1 A 27 27 ASN C C 27 173.323 175.544 -2.221 1
1 254 . 20 1 1 A 27 27 ASN CA C 27 53.143 51.756 1.387 1
1 255 . 20 1 1 A 27 27 ASN CB C 27 38.096 40.030 -1.934 1
1 256 . 20 1 1 A 27 27 ASN N N 27 117.385 116.863 0.522 1
1 258 . 20 1 1 A 28 28 MET H H 28 8.400 8.506 -0.106 1
1 259 . 20 1 1 A 28 28 MET HA H 28 4.064 3.998 0.066 1
1 267 . 20 1 1 A 28 28 MET C C 28 175.557 176.298 -0.741 1
1 268 . 20 1 1 A 28 28 MET CA C 28 57.419 58.497 -1.078 1
1 269 . 20 1 1 A 28 28 MET CB C 28 33.795 32.985 0.810 1
1 272 . 20 1 1 A 28 28 MET N N 28 121.660 123.940 -2.280 1
1 273 . 20 1 1 A 29 29 GLU H H 29 7.821 8.128 -0.307 1
1 274 . 20 1 1 A 29 29 GLU HA H 29 4.757 4.522 0.235 1
1 279 . 20 1 1 A 29 29 GLU C C 29 172.328 173.271 -0.943 1
1 280 . 20 1 1 A 29 29 GLU CA C 29 53.293 53.054 0.239 1
1 281 . 20 1 1 A 29 29 GLU CB C 29 30.761 30.259 0.502 1
1 283 . 20 1 1 A 29 29 GLU N N 29 116.541 118.643 -2.102 1
1 284 . 20 1 1 A 30 30 PRO HA H 30 4.475 4.458 0.017 1
1 291 . 20 1 1 A 30 30 PRO C C 30 177.014 176.702 0.312 1
1 292 . 20 1 1 A 30 30 PRO CA C 30 62.603 62.653 -0.050 1
1 293 . 20 1 1 A 30 30 PRO CB C 30 31.915 31.752 0.163 1
1 296 . 20 1 1 A 31 31 ASN H H 31 8.909 8.174 0.735 1
1 297 . 20 1 1 A 31 31 ASN HA H 31 4.673 4.733 -0.060 1
1 302 . 20 1 1 A 31 31 ASN C C 31 175.460 176.248 -0.788 1
1 303 . 20 1 1 A 31 31 ASN CA C 31 51.303 51.769 -0.466 1
1 304 . 20 1 1 A 31 31 ASN CB C 31 38.261 39.305 -1.044 1
1 305 . 20 1 1 A 31 31 ASN N N 31 120.499 118.521 1.978 1
1 307 . 20 1 1 A 32 32 SER H H 32 8.486 8.994 -0.508 1
1 308 . 20 1 1 A 32 32 SER HA H 32 4.024 4.066 -0.042 1
1 311 . 20 1 1 A 32 32 SER C C 32 176.650 176.201 0.449 1
1 312 . 20 1 1 A 32 32 SER CA C 32 62.621 61.995 0.626 1
1 313 . 20 1 1 A 32 32 SER CB C 32 62.675 62.737 -0.062 1
1 314 . 20 1 1 A 32 32 SER N N 32 112.460 114.763 -2.303 1
1 315 . 20 1 1 A 33 33 ASP H H 33 7.935 8.366 -0.431 1
1 316 . 20 1 1 A 33 33 ASP HA H 33 4.441 4.266 0.175 1
1 319 . 20 1 1 A 33 33 ASP C C 33 178.811 178.991 -0.180 1
1 320 . 20 1 1 A 33 33 ASP CA C 33 57.456 57.538 -0.082 1
1 321 . 20 1 1 A 33 33 ASP CB C 33 40.870 40.175 0.695 1
1 322 . 20 1 1 A 33 33 ASP N N 33 122.575 122.312 0.263 1
1 323 . 20 1 1 A 34 34 GLU H H 34 8.442 7.886 0.556 1
1 324 . 20 1 1 A 34 34 GLU HA H 34 3.898 3.900 -0.002 1
1 329 . 20 1 1 A 34 34 GLU C C 34 179.127 178.955 0.172 1
1 330 . 20 1 1 A 34 34 GLU CA C 34 59.041 59.069 -0.028 1
1 331 . 20 1 1 A 34 34 GLU CB C 34 29.854 29.395 0.459 1
1 333 . 20 1 1 A 34 34 GLU N N 34 121.743 119.405 2.338 1
1 334 . 20 1 1 A 35 35 LEU H H 35 8.723 8.313 0.410 1
1 335 . 20 1 1 A 35 35 LEU HA H 35 3.735 3.692 0.043 1
1 345 . 20 1 1 A 35 35 LEU C C 35 179.321 178.677 0.644 1
1 346 . 20 1 1 A 35 35 LEU CA C 35 58.118 57.964 0.154 1
1 347 . 20 1 1 A 35 35 LEU CB C 35 42.428 41.539 0.889 1
1 351 . 20 1 1 A 35 35 LEU N N 35 119.674 120.636 -0.962 1
1 352 . 20 1 1 A 36 36 LEU H H 36 7.651 8.039 -0.388 1
1 353 . 20 1 1 A 36 36 LEU HA H 36 4.039 3.892 0.147 1
1 363 . 20 1 1 A 36 36 LEU C C 36 178.908 178.506 0.402 1
1 364 . 20 1 1 A 36 36 LEU CA C 36 58.414 58.746 -0.332 1
1 365 . 20 1 1 A 36 36 LEU CB C 36 41.040 41.947 -0.907 1
1 369 . 20 1 1 A 36 36 LEU N N 36 121.058 119.798 1.260 1
1 370 . 20 1 1 A 37 37 LYS H H 37 7.704 7.777 -0.073 1
1 371 . 20 1 1 A 37 37 LYS HA H 37 3.874 3.864 0.010 1
1 379 . 20 1 1 A 37 37 LYS C C 37 180.025 178.781 1.244 1
1 380 . 20 1 1 A 37 37 LYS CA C 37 60.345 59.206 1.139 1
1 381 . 20 1 1 A 37 37 LYS CB C 37 32.327 32.217 0.110 1
1 385 . 20 1 1 A 37 37 LYS N N 37 119.032 117.832 1.200 1
1 386 . 20 1 1 A 38 38 ILE H H 38 8.413 7.985 0.428 1
1 387 . 20 1 1 A 38 38 ILE HA H 38 3.296 3.394 -0.098 1
1 397 . 20 1 1 A 38 38 ILE C C 38 177.063 178.303 -1.240 1
1 398 . 20 1 1 A 38 38 ILE CA C 38 65.479 65.243 0.236 1
1 399 . 20 1 1 A 38 38 ILE CB C 38 38.384 37.582 0.802 1
1 403 . 20 1 1 A 38 38 ILE N N 38 120.466 120.796 -0.330 1
1 404 . 20 1 1 A 39 39 SER H H 39 8.183 7.991 0.192 1
1 405 . 20 1 1 A 39 39 SER HA H 39 4.047 4.341 -0.294 1
1 408 . 20 1 1 A 39 39 SER C C 39 176.359 177.670 -1.311 1
1 409 . 20 1 1 A 39 39 SER CA C 39 62.620 61.266 1.354 1
1 410 . 20 1 1 A 39 39 SER CB C 39 62.548 62.702 -0.154 1
1 411 . 20 1 1 A 39 39 SER N N 39 115.371 114.163 1.208 1
1 412 . 20 1 1 A 40 40 ILE H H 40 7.983 8.174 -0.191 1
1 413 . 20 1 1 A 40 40 ILE HA H 40 3.785 3.655 0.130 1
1 423 . 20 1 1 A 40 40 ILE C C 40 178.714 177.849 0.865 1
1 424 . 20 1 1 A 40 40 ILE CA C 40 64.307 65.440 -1.133 1
1 425 . 20 1 1 A 40 40 ILE CB C 40 38.440 38.001 0.439 1
1 429 . 20 1 1 A 40 40 ILE N N 40 121.913 122.736 -0.823 1
1 430 . 20 1 1 A 41 41 ALA H H 41 7.886 8.822 -0.936 1
1 431 . 20 1 1 A 41 41 ALA HA H 41 4.157 4.074 0.083 1
1 435 . 20 1 1 A 41 41 ALA C C 41 180.147 179.941 0.206 1
1 436 . 20 1 1 A 41 41 ALA CA C 41 55.268 55.606 -0.338 1
1 437 . 20 1 1 A 41 41 ALA CB C 41 18.646 18.736 -0.090 1
1 438 . 20 1 1 A 41 41 ALA N N 41 122.775 122.093 0.682 1
1 439 . 20 1 1 A 42 42 VAL H H 42 8.268 7.157 1.111 1
1 440 . 20 1 1 A 42 42 VAL HA H 42 4.352 4.052 0.300 1
1 448 . 20 1 1 A 42 42 VAL C C 42 175.849 177.062 -1.213 1
1 449 . 20 1 1 A 42 42 VAL CA C 42 61.352 63.567 -2.215 1
1 450 . 20 1 1 A 42 42 VAL CB C 42 32.632 33.102 -0.470 1
1 453 . 20 1 1 A 42 42 VAL N N 42 108.944 110.883 -1.939 1
1 454 . 20 1 1 A 43 43 GLY H H 43 7.837 8.206 -0.369 1
1 455 . 20 1 1 A 43 43 GLY HA2 H 43 3.937 3.985 -0.048 1
1 456 . 20 1 1 A 43 43 GLY HA3 H 43 3.852 3.999 -0.147 1
1 457 . 20 1 1 A 43 43 GLY C C 43 174.392 174.194 0.198 1
1 458 . 20 1 1 A 43 43 GLY CA C 43 46.770 44.876 1.894 1
1 459 . 20 1 1 A 43 43 GLY N N 43 110.644 111.849 -1.205 1
1 460 . 20 1 1 A 44 44 LEU H H 44 7.483 7.663 -0.180 1
1 461 . 20 1 1 A 44 44 LEU HA H 44 4.833 4.498 0.335 1
1 471 . 20 1 1 A 44 44 LEU C C 44 173.348 174.889 -1.541 1
1 472 . 20 1 1 A 44 44 LEU CA C 44 51.178 52.991 -1.813 1
1 473 . 20 1 1 A 44 44 LEU CB C 44 45.096 41.413 3.683 1
1 477 . 20 1 1 A 44 44 LEU N N 44 118.486 122.760 -4.274 1
1 478 . 20 1 1 A 45 45 PRO HA H 45 4.447 4.706 -0.259 1
1 485 . 20 1 1 A 45 45 PRO C C 45 178.301 177.915 0.386 1
1 486 . 20 1 1 A 45 45 PRO CA C 45 62.740 63.052 -0.312 1
1 487 . 20 1 1 A 45 45 PRO CB C 45 32.626 31.730 0.896 1
1 490 . 20 1 1 A 46 46 GLN H H 46 9.200 9.004 0.196 1
1 491 . 20 1 1 A 46 46 GLN HA H 46 4.007 4.010 -0.003 1
1 498 . 20 1 1 A 46 46 GLN C C 46 177.718 177.797 -0.079 1
1 499 . 20 1 1 A 46 46 GLN CA C 46 60.099 59.174 0.925 1
1 500 . 20 1 1 A 46 46 GLN CB C 46 28.371 28.688 -0.317 1
1 502 . 20 1 1 A 46 46 GLN N N 46 125.692 124.820 0.872 1
1 504 . 20 1 1 A 47 47 GLU H H 47 9.618 8.610 1.008 1
1 505 . 20 1 1 A 47 47 GLU HA H 47 4.036 4.093 -0.057 1
1 510 . 20 1 1 A 47 47 GLU C C 47 178.860 179.031 -0.171 1
1 511 . 20 1 1 A 47 47 GLU CA C 47 60.029 59.475 0.554 1
1 512 . 20 1 1 A 47 47 GLU CB C 47 28.746 29.514 -0.768 1
1 514 . 20 1 1 A 47 47 GLU N N 47 117.907 118.761 -0.854 1
1 515 . 20 1 1 A 48 48 PHE H H 48 7.194 8.313 -1.119 1
1 516 . 20 1 1 A 48 48 PHE HA H 48 4.385 4.266 0.119 1
1 524 . 20 1 1 A 48 48 PHE C C 48 177.524 177.513 0.011 1
1 525 . 20 1 1 A 48 48 PHE CA C 48 60.699 61.324 -0.625 1
1 526 . 20 1 1 A 48 48 PHE CB C 48 39.190 39.036 0.154 1
1 532 . 20 1 1 A 48 48 PHE N N 48 119.141 121.419 -2.278 1
1 533 . 20 1 1 A 49 49 VAL H H 49 7.761 8.211 -0.450 1
1 534 . 20 1 1 A 49 49 VAL HA H 49 3.509 3.622 -0.113 1
1 542 . 20 1 1 A 49 49 VAL C C 49 177.306 177.965 -0.659 1
1 543 . 20 1 1 A 49 49 VAL CA C 49 67.242 66.859 0.383 1
1 544 . 20 1 1 A 49 49 VAL CB C 49 31.844 31.628 0.216 1
1 547 . 20 1 1 A 49 49 VAL N N 49 120.478 119.631 0.847 1
1 548 . 20 1 1 A 50 50 LYS H H 50 8.751 8.414 0.337 1
1 549 . 20 1 1 A 50 50 LYS HA H 50 4.023 3.987 0.036 1
1 557 . 20 1 1 A 50 50 LYS C C 50 178.593 179.149 -0.556 1
1 558 . 20 1 1 A 50 50 LYS CA C 50 60.274 59.852 0.422 1
1 559 . 20 1 1 A 50 50 LYS CB C 50 32.821 32.485 0.336 1
1 563 . 20 1 1 A 50 50 LYS N N 50 119.513 120.085 -0.572 1
1 564 . 20 1 1 A 51 51 GLU H H 51 7.636 7.933 -0.297 1
1 565 . 20 1 1 A 51 51 GLU HA H 51 4.110 4.085 0.025 1
1 570 . 20 1 1 A 51 51 GLU C C 51 177.791 178.979 -1.188 1
1 571 . 20 1 1 A 51 51 GLU CA C 51 59.253 59.371 -0.118 1
1 572 . 20 1 1 A 51 51 GLU CB C 51 29.442 29.542 -0.100 1
1 574 . 20 1 1 A 51 51 GLU N N 51 118.681 117.346 1.335 1
1 575 . 20 1 1 A 52 52 TRP H H 52 8.396 7.794 0.602 1
1 576 . 20 1 1 A 52 52 TRP HA H 52 3.794 4.242 -0.448 1
1 585 . 20 1 1 A 52 52 TRP C C 52 179.709 178.410 1.299 1
1 586 . 20 1 1 A 52 52 TRP CA C 52 62.688 60.703 1.985 1
1 587 . 20 1 1 A 52 52 TRP CB C 52 28.806 29.218 -0.412 1
1 593 . 20 1 1 A 52 52 TRP N N 52 121.740 122.270 -0.530 1
1 595 . 20 1 1 A 53 53 PHE H H 53 8.602 8.385 0.217 1
1 596 . 20 1 1 A 53 53 PHE HA H 53 3.899 4.416 -0.517 1
1 604 . 20 1 1 A 53 53 PHE C C 53 179.297 178.455 0.842 1
1 605 . 20 1 1 A 53 53 PHE CA C 53 63.414 61.876 1.538 1
1 606 . 20 1 1 A 53 53 PHE CB C 53 39.480 38.935 0.545 1
1 612 . 20 1 1 A 53 53 PHE N N 53 117.648 117.645 0.003 1
1 613 . 20 1 1 A 54 54 GLU H H 54 8.372 8.276 0.096 1
1 614 . 20 1 1 A 54 54 GLU HA H 54 4.070 3.898 0.172 1
1 619 . 20 1 1 A 54 54 GLU C C 54 179.540 179.345 0.195 1
1 620 . 20 1 1 A 54 54 GLU CA C 54 59.676 59.950 -0.274 1
1 621 . 20 1 1 A 54 54 GLU CB C 54 29.448 29.284 0.164 1
1 623 . 20 1 1 A 54 54 GLU N N 54 120.198 119.064 1.134 1
1 624 . 20 1 1 A 55 55 GLN H H 55 8.275 8.677 -0.402 1
1 625 . 20 1 1 A 55 55 GLN HA H 55 3.975 3.637 0.338 1
1 632 . 20 1 1 A 55 55 GLN C C 55 177.913 178.051 -0.138 1
1 633 . 20 1 1 A 55 55 GLN CA C 55 57.773 59.032 -1.259 1
1 634 . 20 1 1 A 55 55 GLN CB C 55 28.075 27.853 0.222 1
1 636 . 20 1 1 A 55 55 GLN N N 55 117.674 118.610 -0.936 1
1 638 . 20 1 1 A 56 56 ARG H H 56 7.413 7.716 -0.303 1
1 639 . 20 1 1 A 56 56 ARG HA H 56 3.727 3.993 -0.266 1
1 646 . 20 1 1 A 56 56 ARG C C 56 177.670 179.025 -1.355 1
1 647 . 20 1 1 A 56 56 ARG CA C 56 57.278 59.073 -1.795 1
1 648 . 20 1 1 A 56 56 ARG CB C 56 29.564 29.939 -0.375 1
1 651 . 20 1 1 A 56 56 ARG N N 56 119.111 120.278 -1.167 1
1 652 . 20 1 1 A 57 57 LYS H H 57 7.468 7.791 -0.323 1
1 653 . 20 1 1 A 57 57 LYS HA H 57 4.215 3.967 0.248 1
1 662 . 20 1 1 A 57 57 LYS C C 57 177.937 179.099 -1.162 1
1 663 . 20 1 1 A 57 57 LYS CA C 57 58.454 59.346 -0.892 1
1 664 . 20 1 1 A 57 57 LYS CB C 57 32.656 32.354 0.302 1
1 668 . 20 1 1 A 57 57 LYS N N 57 118.984 118.312 0.672 1
1 669 . 20 1 1 A 58 58 VAL H H 58 7.564 7.389 0.175 1
1 670 . 20 1 1 A 58 58 VAL HA H 58 3.866 3.610 0.256 1
1 678 . 20 1 1 A 58 58 VAL C C 58 177.306 177.034 0.272 1
1 679 . 20 1 1 A 58 58 VAL CA C 58 64.013 66.196 -2.183 1
1 680 . 20 1 1 A 58 58 VAL CB C 58 32.128 31.378 0.750 1
1 683 . 20 1 1 A 58 58 VAL N N 58 118.037 120.247 -2.210 1
1 684 . 20 1 1 A 59 59 TYR H H 59 7.871 6.519 1.352 1
1 685 . 20 1 1 A 59 59 TYR HA H 59 4.381 4.333 0.048 1
1 692 . 20 1 1 A 59 59 TYR C C 59 176.577 178.480 -1.903 1
1 693 . 20 1 1 A 59 59 TYR CA C 59 59.112 60.868 -1.756 1
1 694 . 20 1 1 A 59 59 TYR CB C 59 38.382 38.463 -0.081 1
1 699 . 20 1 1 A 59 59 TYR N N 59 121.466 118.193 3.273 1
1 700 . 20 1 1 A 60 60 GLN H H 60 8.074 8.736 -0.662 1
1 701 . 20 1 1 A 60 60 GLN HA H 60 4.103 4.022 0.081 1
1 708 . 20 1 1 A 60 60 GLN C C 60 176.334 176.544 -0.210 1
1 709 . 20 1 1 A 60 60 GLN CA C 60 56.820 58.017 -1.197 1
1 710 . 20 1 1 A 60 60 GLN CB C 60 29.003 28.881 0.122 1
1 712 . 20 1 1 A 60 60 GLN N N 60 120.517 118.119 2.398 1
1 714 . 20 1 1 A 61 61 TYR H H 61 8.001 7.526 0.475 1
1 715 . 20 1 1 A 61 61 TYR HA H 61 4.544 4.684 -0.140 1
1 722 . 20 1 1 A 61 61 TYR C C 61 176.456 177.124 -0.668 1
1 723 . 20 1 1 A 61 61 TYR CA C 61 58.442 58.979 -0.537 1
1 724 . 20 1 1 A 61 61 TYR CB C 61 38.408 40.129 -1.721 1
1 729 . 20 1 1 A 61 61 TYR N N 61 119.641 117.802 1.839 1
1 730 . 20 1 1 A 62 62 SER H H 62 8.071 8.688 -0.617 1
1 731 . 20 1 1 A 62 62 SER HA H 62 4.371 4.426 -0.055 1
1 734 . 20 1 1 A 62 62 SER C C 62 174.440 176.007 -1.567 1
1 735 . 20 1 1 A 62 62 SER CA C 62 58.830 59.306 -0.476 1
1 736 . 20 1 1 A 62 62 SER CB C 62 63.806 63.528 0.278 1
1 737 . 20 1 1 A 62 62 SER N N 62 116.272 114.819 1.453 1
1 738 . 20 1 1 A 63 63 ASN HA H 63 4.737 4.540 0.197 1
1 743 . 20 1 1 A 63 63 ASN CA C 63 50.823 56.056 -5.233 1
1 744 . 20 1 1 A 63 63 ASN CB C 63 38.920 37.883 1.037 1
1 746 . 20 1 1 A 64 64 SER HA H 64 4.407 4.450 -0.043 1
1 749 . 20 1 1 A 64 64 SER C C 64 174.610 175.089 -0.479 1
1 750 . 20 1 1 A 64 64 SER CA C 64 58.794 57.490 1.304 1
1 751 . 20 1 1 A 64 64 SER CB C 64 63.727 65.007 -1.280 1
1 752 . 20 1 1 A 65 65 ARG H H 65 8.263 8.723 -0.460 1
1 753 . 20 1 1 A 65 65 ARG HA H 65 4.405 4.220 0.185 1
1 760 . 20 1 1 A 65 65 ARG C C 65 176.310 176.478 -0.168 1
1 761 . 20 1 1 A 65 65 ARG CA C 65 56.185 59.351 -3.166 1
1 762 . 20 1 1 A 65 65 ARG CB C 65 30.643 30.799 -0.156 1
1 765 . 20 1 1 A 65 65 ARG N N 65 122.520 123.281 -0.761 1
1 766 . 20 1 1 A 66 66 SER H H 66 8.253 7.699 0.554 1
1 767 . 20 1 1 A 66 66 SER HA H 66 4.507 4.634 -0.127 1
1 770 . 20 1 1 A 66 66 SER C C 66 174.489 174.001 0.488 1
1 771 . 20 1 1 A 66 66 SER CA C 66 58.320 57.403 0.917 1
1 772 . 20 1 1 A 66 66 SER CB C 66 63.974 64.691 -0.717 1
1 773 . 20 1 1 A 66 66 SER N N 66 116.498 112.343 4.155 1
1 774 . 20 1 1 A 67 67 GLY H H 67 8.201 8.798 -0.597 1
1 775 . 20 1 1 A 67 67 GLY HA2 H 67 4.113 4.358 -0.245 1
1 776 . 20 1 1 A 67 67 GLY C C 67 171.769 172.350 -0.581 1
1 777 . 20 1 1 A 67 67 GLY CA C 67 44.689 44.133 0.556 1
1 778 . 20 1 1 A 67 67 GLY N N 67 110.648 110.927 -0.279 1
1 781 . 20 1 1 A 69 69 SER HA H 69 4.481 4.427 0.054 1
1 784 . 20 1 1 A 69 69 SER C C 69 174.659 174.477 0.182 1
1 785 . 20 1 1 A 69 69 SER CA C 69 58.371 60.603 -2.232 1
1 786 . 20 1 1 A 69 69 SER CB C 69 63.645 63.449 0.196 1
1 787 . 20 1 1 A 70 70 SER H H 70 8.303 7.804 0.499 1
1 788 . 20 1 1 A 70 70 SER HA H 70 4.473 4.630 -0.157 1
1 791 . 20 1 1 A 70 70 SER C C 70 173.930 174.222 -0.292 1
1 792 . 20 1 1 A 70 70 SER CA C 70 58.406 57.409 0.997 1
1 793 . 20 1 1 A 70 70 SER CB C 70 64.057 64.647 -0.590 1
1 794 . 20 1 1 A 70 70 SER N N 70 117.757 112.552 5.205 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 60 1.185 1
2 1 1 1 "RMS(OBS, PRED)" CA 63 1.383 1
3 1 1 1 "RMS(OBS, PRED)" CB 60 1.010 1
4 1 1 1 "RMS(OBS, PRED)" H 54 0.493 1
5 1 1 1 "RMS(OBS, PRED)" HA 64 0.235 1
6 1 1 1 "RMS(OBS, PRED)" N 54 2.282 1
7 1 2 1 "RMS(OBS, PRED)" C 60 1.246 1
8 1 2 1 "RMS(OBS, PRED)" CA 63 1.585 1
9 1 2 1 "RMS(OBS, PRED)" CB 60 1.069 1
10 1 2 1 "RMS(OBS, PRED)" H 54 0.472 1
11 1 2 1 "RMS(OBS, PRED)" HA 64 0.236 1
12 1 2 1 "RMS(OBS, PRED)" N 54 2.160 1
13 1 3 1 "RMS(OBS, PRED)" C 60 1.208 1
14 1 3 1 "RMS(OBS, PRED)" CA 63 1.579 1
15 1 3 1 "RMS(OBS, PRED)" CB 60 1.025 1
16 1 3 1 "RMS(OBS, PRED)" H 54 0.480 1
17 1 3 1 "RMS(OBS, PRED)" HA 64 0.227 1
18 1 3 1 "RMS(OBS, PRED)" N 54 1.900 1
19 1 4 1 "RMS(OBS, PRED)" C 60 1.192 1
20 1 4 1 "RMS(OBS, PRED)" CA 63 1.348 1
21 1 4 1 "RMS(OBS, PRED)" CB 60 1.201 1
22 1 4 1 "RMS(OBS, PRED)" H 54 0.492 1
23 1 4 1 "RMS(OBS, PRED)" HA 64 0.283 1
24 1 4 1 "RMS(OBS, PRED)" N 54 2.213 1
25 1 5 1 "RMS(OBS, PRED)" C 60 1.152 1
26 1 5 1 "RMS(OBS, PRED)" CA 63 1.256 1
27 1 5 1 "RMS(OBS, PRED)" CB 60 1.204 1
28 1 5 1 "RMS(OBS, PRED)" H 54 0.482 1
29 1 5 1 "RMS(OBS, PRED)" HA 64 0.231 1
30 1 5 1 "RMS(OBS, PRED)" N 54 2.119 1
31 1 6 1 "RMS(OBS, PRED)" C 60 1.075 1
32 1 6 1 "RMS(OBS, PRED)" CA 63 1.322 1
33 1 6 1 "RMS(OBS, PRED)" CB 60 1.128 1
34 1 6 1 "RMS(OBS, PRED)" H 54 0.481 1
35 1 6 1 "RMS(OBS, PRED)" HA 64 0.268 1
36 1 6 1 "RMS(OBS, PRED)" N 54 2.291 1
37 1 7 1 "RMS(OBS, PRED)" C 60 1.130 1
38 1 7 1 "RMS(OBS, PRED)" CA 63 1.582 1
39 1 7 1 "RMS(OBS, PRED)" CB 60 1.122 1
40 1 7 1 "RMS(OBS, PRED)" H 54 0.509 1
41 1 7 1 "RMS(OBS, PRED)" HA 64 0.246 1
42 1 7 1 "RMS(OBS, PRED)" N 54 2.215 1
43 1 8 1 "RMS(OBS, PRED)" C 60 1.109 1
44 1 8 1 "RMS(OBS, PRED)" CA 63 1.419 1
45 1 8 1 "RMS(OBS, PRED)" CB 60 1.083 1
46 1 8 1 "RMS(OBS, PRED)" H 54 0.463 1
47 1 8 1 "RMS(OBS, PRED)" HA 64 0.252 1
48 1 8 1 "RMS(OBS, PRED)" N 54 2.174 1
49 1 9 1 "RMS(OBS, PRED)" C 60 1.088 1
50 1 9 1 "RMS(OBS, PRED)" CA 63 1.179 1
51 1 9 1 "RMS(OBS, PRED)" CB 60 1.060 1
52 1 9 1 "RMS(OBS, PRED)" H 54 0.465 1
53 1 9 1 "RMS(OBS, PRED)" HA 64 0.257 1
54 1 9 1 "RMS(OBS, PRED)" N 54 2.390 1
55 1 10 1 "RMS(OBS, PRED)" C 60 1.072 1
56 1 10 1 "RMS(OBS, PRED)" CA 63 1.339 1
57 1 10 1 "RMS(OBS, PRED)" CB 60 1.085 1
58 1 10 1 "RMS(OBS, PRED)" H 54 0.513 1
59 1 10 1 "RMS(OBS, PRED)" HA 64 0.262 1
60 1 10 1 "RMS(OBS, PRED)" N 54 2.085 1
61 1 11 1 "RMS(OBS, PRED)" C 60 1.123 1
62 1 11 1 "RMS(OBS, PRED)" CA 63 1.452 1
63 1 11 1 "RMS(OBS, PRED)" CB 60 1.031 1
64 1 11 1 "RMS(OBS, PRED)" H 54 0.491 1
65 1 11 1 "RMS(OBS, PRED)" HA 64 0.276 1
66 1 11 1 "RMS(OBS, PRED)" N 54 2.292 1
67 1 12 1 "RMS(OBS, PRED)" C 60 1.130 1
68 1 12 1 "RMS(OBS, PRED)" CA 63 1.370 1
69 1 12 1 "RMS(OBS, PRED)" CB 60 0.981 1
70 1 12 1 "RMS(OBS, PRED)" H 54 0.477 1
71 1 12 1 "RMS(OBS, PRED)" HA 64 0.264 1
72 1 12 1 "RMS(OBS, PRED)" N 54 2.131 1
73 1 13 1 "RMS(OBS, PRED)" C 60 1.127 1
74 1 13 1 "RMS(OBS, PRED)" CA 63 1.343 1
75 1 13 1 "RMS(OBS, PRED)" CB 60 1.040 1
76 1 13 1 "RMS(OBS, PRED)" H 54 0.497 1
77 1 13 1 "RMS(OBS, PRED)" HA 64 0.241 1
78 1 13 1 "RMS(OBS, PRED)" N 54 2.270 1
79 1 14 1 "RMS(OBS, PRED)" C 60 1.174 1
80 1 14 1 "RMS(OBS, PRED)" CA 63 1.469 1
81 1 14 1 "RMS(OBS, PRED)" CB 60 1.054 1
82 1 14 1 "RMS(OBS, PRED)" H 54 0.506 1
83 1 14 1 "RMS(OBS, PRED)" HA 64 0.244 1
84 1 14 1 "RMS(OBS, PRED)" N 54 2.086 1
85 1 15 1 "RMS(OBS, PRED)" C 60 1.094 1
86 1 15 1 "RMS(OBS, PRED)" CA 63 1.434 1
87 1 15 1 "RMS(OBS, PRED)" CB 60 1.105 1
88 1 15 1 "RMS(OBS, PRED)" H 54 0.472 1
89 1 15 1 "RMS(OBS, PRED)" HA 64 0.221 1
90 1 15 1 "RMS(OBS, PRED)" N 54 2.250 1
91 1 16 1 "RMS(OBS, PRED)" C 60 1.303 1
92 1 16 1 "RMS(OBS, PRED)" CA 63 1.607 1
93 1 16 1 "RMS(OBS, PRED)" CB 60 1.202 1
94 1 16 1 "RMS(OBS, PRED)" H 54 0.486 1
95 1 16 1 "RMS(OBS, PRED)" HA 64 0.271 1
96 1 16 1 "RMS(OBS, PRED)" N 54 2.039 1
97 1 17 1 "RMS(OBS, PRED)" C 60 1.122 1
98 1 17 1 "RMS(OBS, PRED)" CA 63 1.496 1
99 1 17 1 "RMS(OBS, PRED)" CB 60 1.103 1
100 1 17 1 "RMS(OBS, PRED)" H 54 0.467 1
101 1 17 1 "RMS(OBS, PRED)" HA 64 0.245 1
102 1 17 1 "RMS(OBS, PRED)" N 54 2.297 1
103 1 18 1 "RMS(OBS, PRED)" C 60 1.139 1
104 1 18 1 "RMS(OBS, PRED)" CA 63 1.355 1
105 1 18 1 "RMS(OBS, PRED)" CB 60 1.068 1
106 1 18 1 "RMS(OBS, PRED)" H 54 0.478 1
107 1 18 1 "RMS(OBS, PRED)" HA 64 0.264 1
108 1 18 1 "RMS(OBS, PRED)" N 54 2.198 1
109 1 19 1 "RMS(OBS, PRED)" C 60 1.093 1
110 1 19 1 "RMS(OBS, PRED)" CA 63 1.455 1
111 1 19 1 "RMS(OBS, PRED)" CB 60 1.035 1
112 1 19 1 "RMS(OBS, PRED)" H 54 0.480 1
113 1 19 1 "RMS(OBS, PRED)" HA 64 0.266 1
114 1 19 1 "RMS(OBS, PRED)" N 54 2.107 1
115 1 20 1 "RMS(OBS, PRED)" C 60 1.112 1
116 1 20 1 "RMS(OBS, PRED)" CA 63 1.399 1
117 1 20 1 "RMS(OBS, PRED)" CB 60 1.035 1
118 1 20 1 "RMS(OBS, PRED)" H 54 0.531 1
119 1 20 1 "RMS(OBS, PRED)" HA 64 0.223 1
120 1 20 1 "RMS(OBS, PRED)" N 54 2.187 1
stop_
save_
save_delta_chem_shifts_average
_Entity_delta_chem_shifts.Sf_category delta_chem_shifts
_Entity_delta_chem_shifts.Sf_framecode delta_chem_shifts_average
_Entity_delta_chem_shifts.Conformer_type "average"
_Entity_delta_chem_shifts.ID 2
_Entity_delta_chem_shifts.Details
;
This saveframe contains the averaged SPARTA chemical shift over all the models used.
;
loop_
_Delta_CS.Assigned_chem_shift_list_ID
_Delta_CS.Atom_chem_shift_ID
_Delta_CS.Assembly_atom_ID
_Delta_CS.Entity_assembly_ID
_Delta_CS.Entity_ID
_Delta_CS.PDB_asym_ID
_Delta_CS.Comp_index_ID
_Delta_CS.Seq_ID
_Delta_CS.Comp_ID
_Delta_CS.Atom_ID
_Delta_CS.Atom_type
_Delta_CS.Auth_seq_ID
_Delta_CS.Original_CS_value
_Delta_CS.Sparta_CS_value
_Delta_CS.Delta_CS_value
_Delta_CS.Entity_delta_chem_shifts_ID
1 1 . 1 1 A 7 7 GLY HA2 H 7 3.980 4.089 -0.109 2
1 2 . 1 1 A 7 7 GLY HA3 H 7 3.980 4.090 -0.110 2
1 3 . 1 1 A 7 7 GLY C C 7 173.809 173.523 0.286 2
1 4 . 1 1 A 7 7 GLY CA C 7 45.148 45.435 -0.287 2
1 5 . 1 1 A 8 8 SER H H 8 8.167 8.410 -0.243 2
1 6 . 1 1 A 8 8 SER C C 8 172.741 173.319 -0.578 2
1 7 . 1 1 A 8 8 SER CA C 8 56.432 58.198 -1.766 2
1 8 . 1 1 A 8 8 SER CB C 8 63.397 63.348 0.049 2
1 9 . 1 1 A 8 8 SER N N 8 116.986 116.653 0.333 2
1 10 . 1 1 A 9 9 PRO HA H 9 4.471 4.633 -0.162 2
1 17 . 1 1 A 9 9 PRO C C 9 176.771 175.775 0.996 2
1 18 . 1 1 A 9 9 PRO CA C 9 63.244 62.489 0.755 2
1 19 . 1 1 A 9 9 PRO CB C 9 32.121 32.402 -0.281 2
1 22 . 1 1 A 10 10 ILE H H 10 8.173 8.440 -0.267 2
1 23 . 1 1 A 10 10 ILE HA H 10 4.084 4.664 -0.580 2
1 33 . 1 1 A 10 10 ILE C C 10 175.703 175.083 0.620 2
1 34 . 1 1 A 10 10 ILE CA C 10 61.051 60.033 1.018 2
1 35 . 1 1 A 10 10 ILE CB C 10 38.806 40.166 -1.360 2
1 39 . 1 1 A 10 10 ILE N N 10 120.782 122.350 -1.568 2
1 40 . 1 1 A 11 11 ASN H H 11 8.538 8.566 -0.028 2
1 41 . 1 1 A 11 11 ASN HA H 11 4.992 5.229 -0.237 2
1 46 . 1 1 A 11 11 ASN C C 11 173.785 174.658 -0.873 2
1 47 . 1 1 A 11 11 ASN CA C 11 50.794 49.586 1.208 2
1 48 . 1 1 A 11 11 ASN CB C 11 39.063 40.150 -1.087 2
1 49 . 1 1 A 11 11 ASN N N 11 123.456 125.008 -1.552 2
1 51 . 1 1 A 12 12 PRO HA H 12 4.328 4.353 -0.025 2
1 58 . 1 1 A 12 12 PRO C C 12 176.674 177.564 -0.890 2
1 59 . 1 1 A 12 12 PRO CA C 12 63.616 65.237 -1.620 2
1 60 . 1 1 A 12 12 PRO CB C 12 31.997 31.828 0.169 2
1 63 . 1 1 A 13 13 TYR H H 13 7.994 7.907 0.087 2
1 64 . 1 1 A 13 13 TYR HA H 13 4.574 4.743 -0.169 2
1 71 . 1 1 A 13 13 TYR C C 13 176.237 177.498 -1.261 2
1 72 . 1 1 A 13 13 TYR CA C 13 57.866 58.819 -0.953 2
1 73 . 1 1 A 13 13 TYR CB C 13 38.013 39.646 -1.633 2
1 78 . 1 1 A 13 13 TYR N N 13 118.352 115.984 2.368 2
1 79 . 1 1 A 14 14 LYS H H 14 7.727 7.320 0.407 2
1 80 . 1 1 A 14 14 LYS HA H 14 4.131 3.888 0.243 2
1 88 . 1 1 A 14 14 LYS C C 14 176.626 178.322 -1.696 2
1 89 . 1 1 A 14 14 LYS CA C 14 57.704 59.111 -1.407 2
1 90 . 1 1 A 14 14 LYS CB C 14 33.154 31.971 1.183 2
1 94 . 1 1 A 14 14 LYS N N 14 121.585 122.067 -0.482 2
1 95 . 1 1 A 15 15 ASP H H 15 8.374 8.099 0.275 2
1 96 . 1 1 A 15 15 ASP HA H 15 4.620 4.258 0.362 2
1 99 . 1 1 A 15 15 ASP C C 15 174.125 178.493 -4.368 2
1 100 . 1 1 A 15 15 ASP CA C 15 54.763 57.305 -2.542 2
1 101 . 1 1 A 15 15 ASP CB C 15 40.533 41.110 -0.577 2
1 102 . 1 1 A 15 15 ASP N N 15 119.870 119.554 0.316 2
1 103 . 1 1 A 16 16 HIS H H 16 8.034 8.228 -0.194 2
1 104 . 1 1 A 16 16 HIS HA H 16 4.419 4.314 0.105 2
1 109 . 1 1 A 16 16 HIS CA C 16 58.742 59.089 -0.347 2
1 110 . 1 1 A 16 16 HIS CB C 16 30.675 29.571 1.104 2
1 113 . 1 1 A 16 16 HIS N N 16 124.264 117.927 6.337 2
1 114 . 1 1 A 17 17 MET H H 17 8.049 8.049 -0.000 2
1 115 . 1 1 A 17 17 MET HA H 17 4.160 3.993 0.167 2
1 123 . 1 1 A 17 17 MET CA C 17 57.275 58.059 -0.784 2
1 124 . 1 1 A 17 17 MET CB C 17 31.055 33.297 -2.242 2
1 127 . 1 1 A 17 17 MET N N 17 117.829 118.147 -0.318 2
1 128 . 1 1 A 18 18 SER HA H 18 4.134 4.114 0.020 2
1 131 . 1 1 A 18 18 SER C C 18 176.941 176.247 0.694 2
1 132 . 1 1 A 18 18 SER CA C 18 61.889 62.274 -0.385 2
1 133 . 1 1 A 18 18 SER CB C 18 62.424 62.585 -0.161 2
1 134 . 1 1 A 19 19 VAL H H 19 7.568 8.045 -0.477 2
1 135 . 1 1 A 19 19 VAL HA H 19 3.809 3.547 0.262 2
1 143 . 1 1 A 19 19 VAL C C 19 177.913 177.550 0.363 2
1 144 . 1 1 A 19 19 VAL CA C 19 65.637 65.396 0.241 2
1 145 . 1 1 A 19 19 VAL CB C 19 31.737 31.523 0.214 2
1 148 . 1 1 A 19 19 VAL N N 19 122.341 120.376 1.965 2
1 149 . 1 1 A 20 20 LEU H H 20 7.788 7.897 -0.109 2
1 150 . 1 1 A 20 20 LEU HA H 20 3.940 4.104 -0.164 2
1 160 . 1 1 A 20 20 LEU C C 20 178.520 179.344 -0.824 2
1 161 . 1 1 A 20 20 LEU CA C 20 58.336 57.906 0.430 2
1 162 . 1 1 A 20 20 LEU CB C 20 39.138 40.919 -1.781 2
1 166 . 1 1 A 20 20 LEU N N 20 120.156 121.319 -1.163 2
1 167 . 1 1 A 21 21 LYS H H 21 8.067 8.154 -0.087 2
1 168 . 1 1 A 21 21 LYS HA H 21 4.047 4.405 -0.358 2
1 175 . 1 1 A 21 21 LYS C C 21 179.102 179.179 -0.077 2
1 176 . 1 1 A 21 21 LYS CA C 21 60.667 59.184 1.484 2
1 177 . 1 1 A 21 21 LYS CB C 21 32.519 32.118 0.401 2
1 181 . 1 1 A 21 21 LYS N N 21 117.374 117.711 -0.337 2
1 182 . 1 1 A 22 22 ALA H H 22 7.718 8.066 -0.348 2
1 183 . 1 1 A 22 22 ALA HA H 22 4.217 4.132 0.085 2
1 187 . 1 1 A 22 22 ALA C C 22 180.486 179.389 1.097 2
1 188 . 1 1 A 22 22 ALA CA C 22 54.954 54.906 0.048 2
1 189 . 1 1 A 22 22 ALA CB C 22 17.934 18.235 -0.301 2
1 190 . 1 1 A 22 22 ALA N N 22 122.528 122.278 0.250 2
1 191 . 1 1 A 23 23 TYR H H 23 8.036 7.472 0.564 2
1 192 . 1 1 A 23 23 TYR HA H 23 4.291 4.365 -0.074 2
1 199 . 1 1 A 23 23 TYR C C 23 178.860 178.445 0.415 2
1 200 . 1 1 A 23 23 TYR CA C 23 62.616 61.525 1.091 2
1 201 . 1 1 A 23 23 TYR CB C 23 38.455 38.304 0.151 2
1 206 . 1 1 A 23 23 TYR N N 23 117.835 116.295 1.540 2
1 207 . 1 1 A 24 24 TYR H H 24 8.856 8.210 0.646 2
1 208 . 1 1 A 24 24 TYR HA H 24 4.420 4.869 -0.449 2
1 215 . 1 1 A 24 24 TYR C C 24 175.484 177.145 -1.661 2
1 216 . 1 1 A 24 24 TYR CA C 24 61.291 62.038 -0.747 2
1 217 . 1 1 A 24 24 TYR CB C 24 38.629 38.786 -0.157 2
1 222 . 1 1 A 24 24 TYR N N 24 122.534 120.639 1.895 2
1 223 . 1 1 A 25 25 ALA H H 25 7.616 8.371 -0.755 2
1 224 . 1 1 A 25 25 ALA HA H 25 4.084 4.206 -0.122 2
1 228 . 1 1 A 25 25 ALA C C 25 179.224 180.019 -0.795 2
1 229 . 1 1 A 25 25 ALA CA C 25 53.893 55.435 -1.542 2
1 230 . 1 1 A 25 25 ALA CB C 25 18.433 18.645 -0.212 2
1 231 . 1 1 A 25 25 ALA N N 25 116.147 121.674 -5.527 2
1 232 . 1 1 A 26 26 MET H H 26 7.379 7.869 -0.490 2
1 233 . 1 1 A 26 26 MET HA H 26 4.353 4.409 -0.056 2
1 241 . 1 1 A 26 26 MET C C 26 176.529 176.474 0.055 2
1 242 . 1 1 A 26 26 MET CA C 26 56.724 58.100 -1.376 2
1 243 . 1 1 A 26 26 MET CB C 26 33.645 33.438 0.207 2
1 246 . 1 1 A 26 26 MET N N 26 114.990 116.381 -1.391 2
1 247 . 1 1 A 27 27 ASN H H 27 7.865 8.083 -0.218 2
1 248 . 1 1 A 27 27 ASN HA H 27 4.562 5.006 -0.444 2
1 253 . 1 1 A 27 27 ASN C C 27 173.323 175.451 -2.128 2
1 254 . 1 1 A 27 27 ASN CA C 27 53.143 51.809 1.334 2
1 255 . 1 1 A 27 27 ASN CB C 27 38.096 40.032 -1.936 2
1 256 . 1 1 A 27 27 ASN N N 27 117.385 116.586 0.799 2
1 258 . 1 1 A 28 28 MET H H 28 8.400 8.529 -0.129 2
1 259 . 1 1 A 28 28 MET HA H 28 4.064 3.668 0.395 2
1 267 . 1 1 A 28 28 MET C C 28 175.557 176.244 -0.687 2
1 268 . 1 1 A 28 28 MET CA C 28 57.419 58.228 -0.809 2
1 269 . 1 1 A 28 28 MET CB C 28 33.795 32.809 0.986 2
1 272 . 1 1 A 28 28 MET N N 28 121.660 123.756 -2.096 2
1 273 . 1 1 A 29 29 GLU H H 29 7.821 8.013 -0.192 2
1 274 . 1 1 A 29 29 GLU HA H 29 4.757 4.556 0.201 2
1 279 . 1 1 A 29 29 GLU C C 29 172.328 173.508 -1.180 2
1 280 . 1 1 A 29 29 GLU CA C 29 53.293 53.126 0.167 2
1 281 . 1 1 A 29 29 GLU CB C 29 30.761 30.345 0.416 2
1 283 . 1 1 A 29 29 GLU N N 29 116.541 118.238 -1.697 2
1 284 . 1 1 A 30 30 PRO HA H 30 4.475 4.450 0.025 2
1 291 . 1 1 A 30 30 PRO C C 30 177.014 176.276 0.738 2
1 292 . 1 1 A 30 30 PRO CA C 30 62.603 62.279 0.324 2
1 293 . 1 1 A 30 30 PRO CB C 30 31.915 32.292 -0.377 2
1 296 . 1 1 A 31 31 ASN H H 31 8.909 8.307 0.602 2
1 297 . 1 1 A 31 31 ASN HA H 31 4.673 4.902 -0.229 2
1 302 . 1 1 A 31 31 ASN C C 31 175.460 176.311 -0.851 2
1 303 . 1 1 A 31 31 ASN CA C 31 51.303 51.453 -0.150 2
1 304 . 1 1 A 31 31 ASN CB C 31 38.261 40.035 -1.774 2
1 305 . 1 1 A 31 31 ASN N N 31 120.499 118.967 1.532 2
1 307 . 1 1 A 32 32 SER H H 32 8.486 8.960 -0.474 2
1 308 . 1 1 A 32 32 SER HA H 32 4.024 4.045 -0.021 2
1 311 . 1 1 A 32 32 SER C C 32 176.650 176.284 0.366 2
1 312 . 1 1 A 32 32 SER CA C 32 62.621 61.858 0.763 2
1 313 . 1 1 A 32 32 SER CB C 32 62.675 62.875 -0.200 2
1 314 . 1 1 A 32 32 SER N N 32 112.460 115.727 -3.267 2
1 315 . 1 1 A 33 33 ASP H H 33 7.935 8.232 -0.297 2
1 316 . 1 1 A 33 33 ASP HA H 33 4.441 4.285 0.156 2
1 319 . 1 1 A 33 33 ASP C C 33 178.811 178.956 -0.145 2
1 320 . 1 1 A 33 33 ASP CA C 33 57.456 57.414 0.042 2
1 321 . 1 1 A 33 33 ASP CB C 33 40.870 40.386 0.484 2
1 322 . 1 1 A 33 33 ASP N N 33 122.575 122.175 0.400 2
1 323 . 1 1 A 34 34 GLU H H 34 8.442 7.952 0.490 2
1 324 . 1 1 A 34 34 GLU HA H 34 3.898 3.931 -0.033 2
1 329 . 1 1 A 34 34 GLU C C 34 179.127 178.950 0.177 2
1 330 . 1 1 A 34 34 GLU CA C 34 59.041 59.167 -0.126 2
1 331 . 1 1 A 34 34 GLU CB C 34 29.854 29.416 0.438 2
1 333 . 1 1 A 34 34 GLU N N 34 121.743 119.534 2.209 2
1 334 . 1 1 A 35 35 LEU H H 35 8.723 8.328 0.395 2
1 335 . 1 1 A 35 35 LEU HA H 35 3.735 3.712 0.023 2
1 345 . 1 1 A 35 35 LEU C C 35 179.321 178.777 0.544 2
1 346 . 1 1 A 35 35 LEU CA C 35 58.118 57.918 0.200 2
1 347 . 1 1 A 35 35 LEU CB C 35 42.428 41.568 0.860 2
1 351 . 1 1 A 35 35 LEU N N 35 119.674 120.775 -1.100 2
1 352 . 1 1 A 36 36 LEU H H 36 7.651 8.120 -0.469 2
1 353 . 1 1 A 36 36 LEU HA H 36 4.039 3.918 0.121 2
1 363 . 1 1 A 36 36 LEU C C 36 178.908 178.463 0.446 2
1 364 . 1 1 A 36 36 LEU CA C 36 58.414 58.742 -0.328 2
1 365 . 1 1 A 36 36 LEU CB C 36 41.040 41.939 -0.899 2
1 369 . 1 1 A 36 36 LEU N N 36 121.058 119.882 1.176 2
1 370 . 1 1 A 37 37 LYS H H 37 7.704 7.683 0.021 2
1 371 . 1 1 A 37 37 LYS HA H 37 3.874 3.931 -0.057 2
1 379 . 1 1 A 37 37 LYS C C 37 180.025 179.034 0.992 2
1 380 . 1 1 A 37 37 LYS CA C 37 60.345 59.336 1.009 2
1 381 . 1 1 A 37 37 LYS CB C 37 32.327 32.415 -0.088 2
1 385 . 1 1 A 37 37 LYS N N 37 119.032 117.801 1.231 2
1 386 . 1 1 A 38 38 ILE H H 38 8.413 8.241 0.172 2
1 387 . 1 1 A 38 38 ILE HA H 38 3.296 3.324 -0.028 2
1 397 . 1 1 A 38 38 ILE C C 38 177.063 177.899 -0.836 2
1 398 . 1 1 A 38 38 ILE CA C 38 65.479 65.194 0.285 2
1 399 . 1 1 A 38 38 ILE CB C 38 38.384 37.590 0.794 2
1 403 . 1 1 A 38 38 ILE N N 38 120.466 121.066 -0.600 2
1 404 . 1 1 A 39 39 SER H H 39 8.183 8.071 0.112 2
1 405 . 1 1 A 39 39 SER HA H 39 4.047 4.352 -0.305 2
1 408 . 1 1 A 39 39 SER C C 39 176.359 177.309 -0.950 2
1 409 . 1 1 A 39 39 SER CA C 39 62.620 61.069 1.550 2
1 410 . 1 1 A 39 39 SER CB C 39 62.548 62.934 -0.386 2
1 411 . 1 1 A 39 39 SER N N 39 115.371 114.155 1.216 2
1 412 . 1 1 A 40 40 ILE H H 40 7.983 7.851 0.132 2
1 413 . 1 1 A 40 40 ILE HA H 40 3.785 3.739 0.046 2
1 423 . 1 1 A 40 40 ILE C C 40 178.714 177.858 0.856 2
1 424 . 1 1 A 40 40 ILE CA C 40 64.307 65.216 -0.909 2
1 425 . 1 1 A 40 40 ILE CB C 40 38.440 37.912 0.528 2
1 429 . 1 1 A 40 40 ILE N N 40 121.913 122.919 -1.006 2
1 430 . 1 1 A 41 41 ALA H H 41 7.886 8.843 -0.957 2
1 431 . 1 1 A 41 41 ALA HA H 41 4.157 4.037 0.120 2
1 435 . 1 1 A 41 41 ALA C C 41 180.147 179.738 0.409 2
1 436 . 1 1 A 41 41 ALA CA C 41 55.268 55.452 -0.184 2
1 437 . 1 1 A 41 41 ALA CB C 41 18.646 18.681 -0.035 2
1 438 . 1 1 A 41 41 ALA N N 41 122.775 122.206 0.569 2
1 439 . 1 1 A 42 42 VAL H H 42 8.268 7.482 0.786 2
1 440 . 1 1 A 42 42 VAL HA H 42 4.352 4.068 0.284 2
1 448 . 1 1 A 42 42 VAL C C 42 175.849 177.021 -1.172 2
1 449 . 1 1 A 42 42 VAL CA C 42 61.352 63.457 -2.105 2
1 450 . 1 1 A 42 42 VAL CB C 42 32.632 33.172 -0.540 2
1 453 . 1 1 A 42 42 VAL N N 42 108.944 110.807 -1.863 2
1 454 . 1 1 A 43 43 GLY H H 43 7.837 8.042 -0.205 2
1 455 . 1 1 A 43 43 GLY HA2 H 43 3.937 3.987 -0.050 2
1 456 . 1 1 A 43 43 GLY HA3 H 43 3.852 4.002 -0.149 2
1 457 . 1 1 A 43 43 GLY C C 43 174.392 174.211 0.181 2
1 458 . 1 1 A 43 43 GLY CA C 43 46.770 44.948 1.822 2
1 459 . 1 1 A 43 43 GLY N N 43 110.644 112.000 -1.356 2
1 460 . 1 1 A 44 44 LEU H H 44 7.483 7.685 -0.202 2
1 461 . 1 1 A 44 44 LEU HA H 44 4.833 4.503 0.330 2
1 471 . 1 1 A 44 44 LEU C C 44 173.348 174.803 -1.455 2
1 472 . 1 1 A 44 44 LEU CA C 44 51.178 52.825 -1.647 2
1 473 . 1 1 A 44 44 LEU CB C 44 45.096 41.314 3.782 2
1 477 . 1 1 A 44 44 LEU N N 44 118.486 122.550 -4.064 2
1 478 . 1 1 A 45 45 PRO HA H 45 4.447 4.708 -0.261 2
1 485 . 1 1 A 45 45 PRO C C 45 178.301 177.878 0.423 2
1 486 . 1 1 A 45 45 PRO CA C 45 62.740 63.018 -0.278 2
1 487 . 1 1 A 45 45 PRO CB C 45 32.626 31.755 0.871 2
1 490 . 1 1 A 46 46 GLN H H 46 9.200 8.989 0.211 2
1 491 . 1 1 A 46 46 GLN HA H 46 4.007 4.070 -0.063 2
1 498 . 1 1 A 46 46 GLN C C 46 177.718 177.842 -0.124 2
1 499 . 1 1 A 46 46 GLN CA C 46 60.099 59.238 0.861 2
1 500 . 1 1 A 46 46 GLN CB C 46 28.371 28.704 -0.333 2
1 502 . 1 1 A 46 46 GLN N N 46 125.692 124.570 1.122 2
1 504 . 1 1 A 47 47 GLU H H 47 9.618 8.536 1.082 2
1 505 . 1 1 A 47 47 GLU HA H 47 4.036 4.098 -0.062 2
1 510 . 1 1 A 47 47 GLU C C 47 178.860 178.989 -0.129 2
1 511 . 1 1 A 47 47 GLU CA C 47 60.029 59.466 0.563 2
1 512 . 1 1 A 47 47 GLU CB C 47 28.746 29.585 -0.839 2
1 514 . 1 1 A 47 47 GLU N N 47 117.907 118.842 -0.935 2
1 515 . 1 1 A 48 48 PHE H H 48 7.194 8.212 -1.018 2
1 516 . 1 1 A 48 48 PHE HA H 48 4.385 4.278 0.107 2
1 524 . 1 1 A 48 48 PHE C C 48 177.524 177.435 0.089 2
1 525 . 1 1 A 48 48 PHE CA C 48 60.699 61.314 -0.615 2
1 526 . 1 1 A 48 48 PHE CB C 48 39.190 39.152 0.038 2
1 532 . 1 1 A 48 48 PHE N N 48 119.141 121.452 -2.311 2
1 533 . 1 1 A 49 49 VAL H H 49 7.761 8.303 -0.542 2
1 534 . 1 1 A 49 49 VAL HA H 49 3.509 3.846 -0.337 2
1 542 . 1 1 A 49 49 VAL C C 49 177.306 178.152 -0.846 2
1 543 . 1 1 A 49 49 VAL CA C 49 67.242 66.976 0.266 2
1 544 . 1 1 A 49 49 VAL CB C 49 31.844 31.745 0.099 2
1 547 . 1 1 A 49 49 VAL N N 49 120.478 119.682 0.796 2
1 548 . 1 1 A 50 50 LYS H H 50 8.751 8.314 0.437 2
1 549 . 1 1 A 50 50 LYS HA H 50 4.023 4.036 -0.013 2
1 557 . 1 1 A 50 50 LYS C C 50 178.593 178.937 -0.344 2
1 558 . 1 1 A 50 50 LYS CA C 50 60.274 59.941 0.333 2
1 559 . 1 1 A 50 50 LYS CB C 50 32.821 32.581 0.240 2
1 563 . 1 1 A 50 50 LYS N N 50 119.513 120.194 -0.681 2
1 564 . 1 1 A 51 51 GLU H H 51 7.636 7.851 -0.215 2
1 565 . 1 1 A 51 51 GLU HA H 51 4.110 4.090 0.020 2
1 570 . 1 1 A 51 51 GLU C C 51 177.791 178.992 -1.201 2
1 571 . 1 1 A 51 51 GLU CA C 51 59.253 59.480 -0.227 2
1 572 . 1 1 A 51 51 GLU CB C 51 29.442 29.407 0.035 2
1 574 . 1 1 A 51 51 GLU N N 51 118.681 117.479 1.202 2
1 575 . 1 1 A 52 52 TRP H H 52 8.396 7.820 0.576 2
1 576 . 1 1 A 52 52 TRP HA H 52 3.794 4.264 -0.470 2
1 585 . 1 1 A 52 52 TRP C C 52 179.709 178.467 1.242 2
1 586 . 1 1 A 52 52 TRP CA C 52 62.688 60.708 1.980 2
1 587 . 1 1 A 52 52 TRP CB C 52 28.806 29.502 -0.696 2
1 593 . 1 1 A 52 52 TRP N N 52 121.740 122.083 -0.343 2
1 595 . 1 1 A 53 53 PHE H H 53 8.602 8.305 0.297 2
1 596 . 1 1 A 53 53 PHE HA H 53 3.899 4.273 -0.374 2
1 604 . 1 1 A 53 53 PHE C C 53 179.297 178.397 0.900 2
1 605 . 1 1 A 53 53 PHE CA C 53 63.414 61.851 1.563 2
1 606 . 1 1 A 53 53 PHE CB C 53 39.480 38.851 0.629 2
1 612 . 1 1 A 53 53 PHE N N 53 117.648 117.508 0.140 2
1 613 . 1 1 A 54 54 GLU H H 54 8.372 8.365 0.007 2
1 614 . 1 1 A 54 54 GLU HA H 54 4.070 3.938 0.132 2
1 619 . 1 1 A 54 54 GLU C C 54 179.540 179.229 0.311 2
1 620 . 1 1 A 54 54 GLU CA C 54 59.676 59.935 -0.259 2
1 621 . 1 1 A 54 54 GLU CB C 54 29.448 29.208 0.240 2
1 623 . 1 1 A 54 54 GLU N N 54 120.198 118.859 1.339 2
1 624 . 1 1 A 55 55 GLN H H 55 8.275 8.438 -0.163 2
1 625 . 1 1 A 55 55 GLN HA H 55 3.975 3.825 0.150 2
1 632 . 1 1 A 55 55 GLN C C 55 177.913 178.563 -0.650 2
1 633 . 1 1 A 55 55 GLN CA C 55 57.773 59.305 -1.532 2
1 634 . 1 1 A 55 55 GLN CB C 55 28.075 28.046 0.029 2
1 636 . 1 1 A 55 55 GLN N N 55 117.674 118.974 -1.300 2
1 638 . 1 1 A 56 56 ARG H H 56 7.413 7.764 -0.351 2
1 639 . 1 1 A 56 56 ARG HA H 56 3.727 4.030 -0.303 2
1 646 . 1 1 A 56 56 ARG C C 56 177.670 178.997 -1.327 2
1 647 . 1 1 A 56 56 ARG CA C 56 57.278 59.420 -2.142 2
1 648 . 1 1 A 56 56 ARG CB C 56 29.564 29.861 -0.297 2
1 651 . 1 1 A 56 56 ARG N N 56 119.111 120.263 -1.152 2
1 652 . 1 1 A 57 57 LYS H H 57 7.468 7.932 -0.464 2
1 653 . 1 1 A 57 57 LYS HA H 57 4.215 4.198 0.017 2
1 662 . 1 1 A 57 57 LYS C C 57 177.937 179.177 -1.240 2
1 663 . 1 1 A 57 57 LYS CA C 57 58.454 59.406 -0.952 2
1 664 . 1 1 A 57 57 LYS CB C 57 32.656 32.514 0.142 2
1 668 . 1 1 A 57 57 LYS N N 57 118.984 119.107 -0.123 2
1 669 . 1 1 A 58 58 VAL H H 58 7.564 7.806 -0.242 2
1 670 . 1 1 A 58 58 VAL HA H 58 3.866 3.647 0.219 2
1 678 . 1 1 A 58 58 VAL C C 58 177.306 177.098 0.208 2
1 679 . 1 1 A 58 58 VAL CA C 58 64.013 65.978 -1.965 2
1 680 . 1 1 A 58 58 VAL CB C 58 32.128 31.369 0.759 2
1 683 . 1 1 A 58 58 VAL N N 58 118.037 120.139 -2.102 2
1 684 . 1 1 A 59 59 TYR H H 59 7.871 6.906 0.965 2
1 685 . 1 1 A 59 59 TYR HA H 59 4.381 4.384 -0.003 2
1 692 . 1 1 A 59 59 TYR C C 59 176.577 178.582 -2.005 2
1 693 . 1 1 A 59 59 TYR CA C 59 59.112 60.856 -1.744 2
1 694 . 1 1 A 59 59 TYR CB C 59 38.382 38.532 -0.150 2
1 699 . 1 1 A 59 59 TYR N N 59 121.466 118.386 3.080 2
1 700 . 1 1 A 60 60 GLN H H 60 8.074 8.439 -0.365 2
1 701 . 1 1 A 60 60 GLN HA H 60 4.103 4.053 0.050 2
1 708 . 1 1 A 60 60 GLN C C 60 176.334 177.522 -1.188 2
1 709 . 1 1 A 60 60 GLN CA C 60 56.820 58.618 -1.798 2
1 710 . 1 1 A 60 60 GLN CB C 60 29.003 28.331 0.672 2
1 712 . 1 1 A 60 60 GLN N N 60 120.517 118.456 2.061 2
1 714 . 1 1 A 61 61 TYR H H 61 8.001 7.979 0.021 2
1 715 . 1 1 A 61 61 TYR HA H 61 4.544 4.455 0.089 2
1 722 . 1 1 A 61 61 TYR C C 61 176.456 176.266 0.190 2
1 723 . 1 1 A 61 61 TYR CA C 61 58.442 59.557 -1.115 2
1 724 . 1 1 A 61 61 TYR CB C 61 38.408 39.469 -1.061 2
1 729 . 1 1 A 61 61 TYR N N 61 119.641 117.469 2.172 2
1 730 . 1 1 A 62 62 SER H H 62 8.071 7.933 0.138 2
1 731 . 1 1 A 62 62 SER HA H 62 4.371 4.479 -0.108 2
1 734 . 1 1 A 62 62 SER C C 62 174.440 174.665 -0.225 2
1 735 . 1 1 A 62 62 SER CA C 62 58.830 58.287 0.543 2
1 736 . 1 1 A 62 62 SER CB C 62 63.806 63.897 -0.091 2
1 737 . 1 1 A 62 62 SER N N 62 116.272 114.664 1.608 2
1 738 . 1 1 A 63 63 ASN HA H 63 4.737 4.704 0.033 2
1 743 . 1 1 A 63 63 ASN CA C 63 50.823 54.601 -3.778 2
1 744 . 1 1 A 63 63 ASN CB C 63 38.920 38.947 -0.027 2
1 746 . 1 1 A 64 64 SER HA H 64 4.407 4.547 -0.140 2
1 749 . 1 1 A 64 64 SER C C 64 174.610 174.548 0.062 2
1 750 . 1 1 A 64 64 SER CA C 64 58.794 58.918 -0.124 2
1 751 . 1 1 A 64 64 SER CB C 64 63.727 64.361 -0.634 2
1 752 . 1 1 A 65 65 ARG H H 65 8.263 8.381 -0.118 2
1 753 . 1 1 A 65 65 ARG HA H 65 4.405 4.491 -0.086 2
1 760 . 1 1 A 65 65 ARG C C 65 176.310 175.909 0.401 2
1 761 . 1 1 A 65 65 ARG CA C 65 56.185 56.335 -0.150 2
1 762 . 1 1 A 65 65 ARG CB C 65 30.643 31.602 -0.959 2
1 765 . 1 1 A 65 65 ARG N N 65 122.520 123.231 -0.711 2
1 766 . 1 1 A 66 66 SER H H 66 8.253 8.491 -0.238 2
1 767 . 1 1 A 66 66 SER HA H 66 4.507 4.668 -0.161 2
1 770 . 1 1 A 66 66 SER C C 66 174.489 174.333 0.156 2
1 771 . 1 1 A 66 66 SER CA C 66 58.320 58.426 -0.106 2
1 772 . 1 1 A 66 66 SER CB C 66 63.974 64.530 -0.556 2
1 773 . 1 1 A 66 66 SER N N 66 116.498 116.523 -0.025 2
1 774 . 1 1 A 67 67 GLY H H 67 8.201 8.215 -0.014 2
1 775 . 1 1 A 67 67 GLY HA2 H 67 4.113 4.123 -0.010 2
1 776 . 1 1 A 67 67 GLY C C 67 171.769 173.286 -1.517 2
1 777 . 1 1 A 67 67 GLY CA C 67 44.689 44.904 -0.215 2
1 778 . 1 1 A 67 67 GLY N N 67 110.648 109.572 1.076 2
1 781 . 1 1 A 69 69 SER HA H 69 4.481 4.450 0.031 2
1 784 . 1 1 A 69 69 SER C C 69 174.659 174.291 0.368 2
1 785 . 1 1 A 69 69 SER CA C 69 58.371 59.050 -0.679 2
1 786 . 1 1 A 69 69 SER CB C 69 63.645 63.709 -0.063 2
1 787 . 1 1 A 70 70 SER H H 70 8.303 8.386 -0.083 2
1 788 . 1 1 A 70 70 SER HA H 70 4.473 4.533 -0.060 2
1 791 . 1 1 A 70 70 SER C C 70 173.930 174.482 -0.552 2
1 792 . 1 1 A 70 70 SER CA C 70 58.406 58.762 -0.356 2
1 793 . 1 1 A 70 70 SER CB C 70 64.057 63.957 0.100 2
1 794 . 1 1 A 70 70 SER N N 70 117.757 116.974 0.783 2
stop_
save_