data_15742_sparta
save_entry_information
_Entry.Sf_category entry_information
_Entry.Sf_framecode entry_information
_Entry.ID 15742
_Entry.PDB_ID 2K37
_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 9
_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 9 . 1 1 1 A 2 2 SER H H 2 8.739 7.870 0.869 1
1 10 . 1 1 1 A 2 2 SER HA H 2 4.503 4.939 -0.436 1
1 13 . 1 1 1 A 2 2 SER N N 2 116.858 115.317 1.541 1
1 14 . 1 1 1 A 3 3 GLY H H 3 8.847 8.303 0.544 1
1 15 . 1 1 1 A 3 3 GLY HA2 H 3 3.952 3.985 -0.033 1
1 16 . 1 1 1 A 3 3 GLY HA3 H 3 3.889 3.988 -0.099 1
1 17 . 1 1 1 A 3 3 GLY N N 3 109.347 115.845 -6.498 1
1 18 . 1 1 1 A 4 4 GLY H H 4 8.506 8.721 -0.215 1
1 19 . 1 1 1 A 4 4 GLY HA2 H 4 3.950 4.023 -0.073 1
1 20 . 1 1 1 A 4 4 GLY HA3 H 4 3.894 4.058 -0.164 1
1 21 . 1 1 1 A 4 4 GLY N N 4 106.797 112.063 -5.266 1
1 22 . 1 1 1 A 5 5 GLY H H 5 8.385 8.389 -0.004 1
1 23 . 1 1 1 A 5 5 GLY HA2 H 5 3.888 3.720 0.168 1
1 24 . 1 1 1 A 5 5 GLY HA3 H 5 3.888 3.725 0.163 1
1 25 . 1 1 1 A 5 5 GLY N N 5 109.554 110.253 -0.699 1
1 26 . 1 1 1 A 6 6 VAL H H 6 7.972 8.214 -0.242 1
1 27 . 1 1 1 A 6 6 VAL HA H 6 3.752 3.944 -0.192 1
1 35 . 1 1 1 A 6 6 VAL N N 6 120.821 121.743 -0.922 1
1 36 . 1 1 1 A 7 7 PHE H H 7 7.978 8.446 -0.468 1
1 37 . 1 1 1 A 7 7 PHE HA H 7 4.287 4.078 0.209 1
1 43 . 1 1 1 A 7 7 PHE N N 7 117.926 122.290 -4.364 1
1 44 . 1 1 1 A 8 8 THR H H 8 7.871 8.453 -0.582 1
1 45 . 1 1 1 A 8 8 THR HA H 8 4.295 4.167 0.128 1
1 50 . 1 1 1 A 8 8 THR N N 8 113.783 114.730 -0.947 1
1 51 . 1 1 1 A 9 9 ASP H H 9 8.020 7.736 0.284 1
1 52 . 1 1 1 A 9 9 ASP HA H 9 4.404 4.372 0.032 1
1 55 . 1 1 1 A 9 9 ASP N N 9 120.056 121.264 -1.208 1
1 56 . 1 1 1 A 10 10 ILE H H 10 8.106 7.779 0.327 1
1 57 . 1 1 1 A 10 10 ILE HA H 10 3.691 3.605 0.086 1
1 67 . 1 1 1 A 10 10 ILE N N 10 120.413 120.325 0.088 1
1 68 . 1 1 1 A 11 11 LEU H H 11 7.970 8.075 -0.105 1
1 69 . 1 1 1 A 11 11 LEU HA H 11 3.977 3.963 0.014 1
1 79 . 1 1 1 A 11 11 LEU N N 11 119.889 119.262 0.627 1
1 80 . 1 1 1 A 12 12 ALA H H 12 8.492 8.734 -0.242 1
1 81 . 1 1 1 A 12 12 ALA HA H 12 4.091 4.003 0.088 1
1 85 . 1 1 1 A 12 12 ALA N N 12 120.843 122.014 -1.171 1
1 86 . 1 1 1 A 13 13 ALA H H 13 8.150 8.449 -0.299 1
1 87 . 1 1 1 A 13 13 ALA HA H 13 4.044 4.087 -0.043 1
1 91 . 1 1 1 A 13 13 ALA N N 13 120.771 120.254 0.517 1
1 92 . 1 1 1 A 14 14 ALA H H 14 8.595 8.686 -0.091 1
1 93 . 1 1 1 A 14 14 ALA HA H 14 4.042 4.011 0.031 1
1 97 . 1 1 1 A 14 14 ALA N N 14 119.961 120.110 -0.149 1
1 98 . 1 1 1 A 15 15 GLY H H 15 8.561 8.478 0.083 1
1 99 . 1 1 1 A 15 15 GLY HA2 H 15 3.910 3.805 0.105 1
1 100 . 1 1 1 A 15 15 GLY HA3 H 15 3.849 3.814 0.035 1
1 101 . 1 1 1 A 15 15 GLY N N 15 104.854 106.735 -1.881 1
1 102 . 1 1 1 A 16 16 ARG H H 16 8.102 8.032 0.070 1
1 103 . 1 1 1 A 16 16 ARG HA H 16 4.181 4.082 0.099 1
1 109 . 1 1 1 A 16 16 ARG N N 16 121.532 121.925 -0.393 1
1 111 . 1 1 1 A 17 17 ILE H H 17 8.247 8.522 -0.275 1
1 112 . 1 1 1 A 17 17 ILE HA H 17 3.633 3.657 -0.024 1
1 122 . 1 1 1 A 17 17 ILE N N 17 119.201 120.467 -1.266 1
1 123 . 1 1 1 A 18 18 PHE H H 18 8.398 9.165 -0.767 1
1 124 . 1 1 1 A 18 18 PHE HA H 18 4.218 3.980 0.238 1
1 131 . 1 1 1 A 18 18 PHE N N 18 119.810 120.394 -0.584 1
1 132 . 1 1 1 A 19 19 GLU H H 19 8.311 8.501 -0.190 1
1 133 . 1 1 1 A 19 19 GLU HA H 19 3.827 3.978 -0.151 1
1 138 . 1 1 1 A 19 19 GLU N N 19 116.913 118.044 -1.131 1
1 139 . 1 1 1 A 20 20 VAL H H 20 8.188 8.158 0.030 1
1 140 . 1 1 1 A 20 20 VAL HA H 20 3.642 3.842 -0.200 1
1 148 . 1 1 1 A 20 20 VAL N N 20 118.839 117.127 1.712 1
1 149 . 1 1 1 A 21 21 MET H H 21 8.366 8.174 0.192 1
1 150 . 1 1 1 A 21 21 MET HA H 21 4.100 4.288 -0.188 1
1 155 . 1 1 1 A 21 21 MET N N 21 119.506 120.186 -0.680 1
1 156 . 1 1 1 A 22 22 VAL H H 22 8.401 7.771 0.630 1
1 157 . 1 1 1 A 22 22 VAL HA H 22 3.437 3.426 0.011 1
1 165 . 1 1 1 A 22 22 VAL N N 22 120.943 120.273 0.670 1
1 166 . 1 1 1 A 23 23 GLU H H 23 8.529 8.702 -0.173 1
1 167 . 1 1 1 A 23 23 GLU HA H 23 4.123 4.249 -0.126 1
1 172 . 1 1 1 A 23 23 GLU N N 23 119.294 118.447 0.847 1
1 173 . 1 1 1 A 24 24 GLY H H 24 9.007 7.819 1.188 1
1 174 . 1 1 1 A 24 24 GLY HA2 H 24 3.883 3.629 0.254 1
1 175 . 1 1 1 A 24 24 GLY HA3 H 24 3.946 3.647 0.299 1
1 176 . 1 1 1 A 24 24 GLY N N 24 106.427 108.785 -2.358 1
1 177 . 1 1 1 A 25 25 HIS H H 25 8.426 7.731 0.695 1
1 178 . 1 1 1 A 25 25 HIS HA H 25 4.277 3.984 0.293 1
1 183 . 1 1 1 A 25 25 HIS N N 25 121.686 121.720 -0.034 1
1 184 . 1 1 1 A 26 26 TRP H H 26 8.346 7.868 0.478 1
1 185 . 1 1 1 A 26 26 TRP HA H 26 4.356 4.396 -0.040 1
1 194 . 1 1 1 A 26 26 TRP N N 26 120.264 117.242 3.022 1
1 195 . 1 1 1 A 27 27 GLU H H 27 8.899 7.998 0.901 1
1 196 . 1 1 1 A 27 27 GLU HA H 27 4.084 4.203 -0.119 1
1 201 . 1 1 1 A 27 27 GLU N N 27 118.741 120.983 -2.242 1
1 202 . 1 1 1 A 28 28 THR H H 28 7.927 7.488 0.439 1
1 203 . 1 1 1 A 28 28 THR HA H 28 4.298 4.046 0.252 1
1 208 . 1 1 1 A 28 28 THR N N 28 115.172 115.882 -0.710 1
1 209 . 1 1 1 A 29 29 VAL H H 29 7.889 7.865 0.024 1
1 210 . 1 1 1 A 29 29 VAL HA H 29 3.493 3.832 -0.339 1
1 218 . 1 1 1 A 29 29 VAL N N 29 121.045 117.772 3.273 1
1 219 . 1 1 1 A 30 30 GLY H H 30 8.443 8.552 -0.109 1
1 220 . 1 1 1 A 30 30 GLY HA2 H 30 3.833 4.031 -0.198 1
1 221 . 1 1 1 A 30 30 GLY HA3 H 30 3.797 4.067 -0.270 1
1 222 . 1 1 1 A 30 30 GLY N N 30 106.495 110.804 -4.309 1
1 223 . 1 1 1 A 31 31 MET H H 31 8.355 8.133 0.222 1
1 224 . 1 1 1 A 31 31 MET HA H 31 4.246 4.615 -0.369 1
1 229 . 1 1 1 A 31 31 MET N N 31 120.733 118.781 1.952 1
1 230 . 1 1 1 A 32 32 LEU H H 32 8.353 7.753 0.600 1
1 231 . 1 1 1 A 32 32 LEU HA H 32 4.092 3.987 0.105 1
1 241 . 1 1 1 A 32 32 LEU N N 32 122.587 117.148 5.439 1
1 242 . 1 1 1 A 33 33 PHE H H 33 8.723 9.097 -0.374 1
1 243 . 1 1 1 A 33 33 PHE HA H 33 4.198 4.027 0.171 1
1 248 . 1 1 1 A 33 33 PHE N N 33 119.435 121.392 -1.957 1
1 249 . 1 1 1 A 34 34 ASP H H 34 8.824 7.941 0.883 1
1 250 . 1 1 1 A 34 34 ASP HA H 34 4.475 4.220 0.255 1
1 253 . 1 1 1 A 34 34 ASP N N 34 117.868 119.142 -1.274 1
1 254 . 1 1 1 A 35 35 SER H H 35 8.311 7.977 0.334 1
1 255 . 1 1 1 A 35 35 SER HA H 35 4.149 4.363 -0.214 1
1 258 . 1 1 1 A 35 35 SER N N 35 115.581 115.393 0.188 1
1 259 . 1 1 1 A 36 36 LEU H H 36 8.397 7.708 0.689 1
1 260 . 1 1 1 A 36 36 LEU HA H 36 4.164 4.651 -0.487 1
1 270 . 1 1 1 A 36 36 LEU N N 36 122.970 114.891 8.079 1
1 271 . 1 1 1 A 37 37 GLY H H 37 8.658 7.974 0.684 1
1 272 . 1 1 1 A 37 37 GLY HA2 H 37 3.794 3.611 0.183 1
1 273 . 1 1 1 A 37 37 GLY HA3 H 37 3.794 4.110 -0.316 1
1 274 . 1 1 1 A 37 37 GLY N N 37 109.305 109.532 -0.227 1
1 275 . 1 1 1 A 38 38 LYS H H 38 8.338 7.614 0.724 1
1 276 . 1 1 1 A 38 38 LYS HA H 38 4.003 4.011 -0.008 1
1 285 . 1 1 1 A 38 38 LYS N N 38 121.644 122.332 -0.688 1
1 286 . 1 1 1 A 39 39 GLY H H 39 8.525 7.545 0.980 1
1 287 . 1 1 1 A 39 39 GLY HA2 H 39 3.862 3.687 0.175 1
1 288 . 1 1 1 A 39 39 GLY HA3 H 39 3.789 3.693 0.096 1
1 289 . 1 1 1 A 39 39 GLY N N 39 106.016 107.095 -1.079 1
1 290 . 1 1 1 A 40 40 THR H H 40 8.171 7.964 0.207 1
1 291 . 1 1 1 A 40 40 THR HA H 40 4.313 4.009 0.304 1
1 296 . 1 1 1 A 40 40 THR N N 40 117.245 116.787 0.458 1
1 297 . 1 1 1 A 41 41 MET H H 41 8.097 7.777 0.320 1
1 298 . 1 1 1 A 41 41 MET HA H 41 4.167 3.958 0.209 1
1 303 . 1 1 1 A 41 41 MET N N 41 120.857 119.477 1.380 1
1 304 . 1 1 1 A 42 42 ARG H H 42 8.193 7.971 0.222 1
1 305 . 1 1 1 A 42 42 ARG HA H 42 3.924 4.180 -0.256 1
1 313 . 1 1 1 A 42 42 ARG N N 42 119.314 120.175 -0.861 1
1 315 . 1 1 1 A 43 43 ILE H H 43 8.166 8.116 0.050 1
1 316 . 1 1 1 A 43 43 ILE HA H 43 3.718 3.553 0.165 1
1 326 . 1 1 1 A 43 43 ILE N N 43 119.185 119.816 -0.631 1
1 327 . 1 1 1 A 44 44 ASN H H 44 8.151 8.733 -0.582 1
1 328 . 1 1 1 A 44 44 ASN HA H 44 4.457 4.510 -0.053 1
1 333 . 1 1 1 A 44 44 ASN N N 44 118.343 118.410 -0.067 1
1 335 . 1 1 1 A 45 45 ARG H H 45 8.550 8.133 0.417 1
1 336 . 1 1 1 A 45 45 ARG HA H 45 4.049 4.011 0.038 1
1 344 . 1 1 1 A 45 45 ARG N N 45 119.370 119.470 -0.100 1
1 346 . 1 1 1 A 46 46 ASN H H 46 8.363 8.351 0.012 1
1 347 . 1 1 1 A 46 46 ASN HA H 46 4.506 4.449 0.057 1
1 352 . 1 1 1 A 46 46 ASN N N 46 118.424 117.426 0.998 1
1 354 . 1 1 1 A 47 47 ALA H H 47 8.645 8.478 0.167 1
1 355 . 1 1 1 A 47 47 ALA HA H 47 4.089 4.224 -0.135 1
1 359 . 1 1 1 A 47 47 ALA N N 47 124.193 120.991 3.202 1
1 360 . 1 1 1 A 48 48 TYR H H 48 8.360 7.879 0.481 1
1 361 . 1 1 1 A 48 48 TYR HA H 48 4.212 4.722 -0.510 1
1 368 . 1 1 1 A 48 48 TYR N N 48 117.771 116.468 1.303 1
1 369 . 1 1 1 A 49 49 GLY H H 49 8.614 8.612 0.002 1
1 370 . 1 1 1 A 49 49 GLY HA2 H 49 3.860 4.000 -0.140 1
1 371 . 1 1 1 A 49 49 GLY HA3 H 49 3.860 4.016 -0.156 1
1 372 . 1 1 1 A 49 49 GLY N N 49 105.737 108.996 -3.259 1
1 373 . 1 1 1 A 50 50 SER H H 50 8.109 8.069 0.040 1
1 374 . 1 1 1 A 50 50 SER HA H 50 4.304 4.677 -0.373 1
1 377 . 1 1 1 A 50 50 SER N N 50 116.031 113.474 2.557 1
1 378 . 1 1 1 A 51 51 MET H H 51 7.911 8.441 -0.530 1
1 379 . 1 1 1 A 51 51 MET HA H 51 4.380 4.197 0.183 1
1 384 . 1 1 1 A 51 51 MET N N 51 119.528 120.754 -1.226 1
1 385 . 1 1 1 A 52 52 GLY H H 52 8.235 7.762 0.473 1
1 386 . 1 1 1 A 52 52 GLY HA2 H 52 3.863 2.730 1.133 1
1 387 . 1 1 1 A 52 52 GLY HA3 H 52 3.863 3.567 0.296 1
1 388 . 1 1 1 A 52 52 GLY N N 52 106.413 106.126 0.287 1
1 389 . 1 1 1 A 53 53 GLY H H 53 8.239 7.505 0.734 1
1 390 . 1 1 1 A 53 53 GLY HA2 H 53 3.706 4.050 -0.344 1
1 391 . 1 1 1 A 53 53 GLY HA3 H 53 3.706 4.065 -0.359 1
1 392 . 1 1 1 A 53 53 GLY N N 53 107.655 106.362 1.293 1
1 393 . 1 1 1 A 54 54 GLY H H 54 8.200 7.660 0.540 1
1 394 . 1 1 1 A 54 54 GLY HA2 H 54 3.889 4.180 -0.291 1
1 395 . 1 1 1 A 54 54 GLY HA3 H 54 3.828 4.181 -0.353 1
1 396 . 1 1 1 A 54 54 GLY N N 54 107.173 108.918 -1.745 1
1 397 . 1 1 1 A 55 55 SER H H 55 7.995 7.898 0.097 1
1 398 . 1 1 1 A 55 55 SER HA H 55 4.300 4.189 0.111 1
1 401 . 1 1 1 A 55 55 SER N N 55 115.203 117.553 -2.350 1
1 402 . 1 1 1 A 56 56 LEU H H 56 7.827 7.274 0.553 1
1 403 . 1 1 1 A 56 56 LEU HA H 56 4.297 4.355 -0.058 1
1 413 . 1 1 1 A 56 56 LEU N N 56 120.264 118.930 1.334 1
1 414 . 1 1 1 A 57 57 ARG H H 57 7.792 8.002 -0.210 1
1 415 . 1 1 1 A 57 57 ARG HA H 57 4.290 3.938 0.352 1
1 423 . 1 1 1 A 57 57 ARG N N 57 116.558 116.770 -0.212 1
1 425 . 1 1 1 A 58 58 GLY H H 58 8.062 8.599 -0.537 1
1 426 . 1 1 1 A 58 58 GLY HA2 H 58 3.972 3.860 0.112 1
1 427 . 1 1 1 A 58 58 GLY HA3 H 58 3.941 3.888 0.053 1
1 428 . 1 1 1 A 58 58 GLY N N 58 106.017 105.092 0.925 1
1 9 . 2 1 1 A 2 2 SER H H 2 8.739 7.708 1.031 1
1 10 . 2 1 1 A 2 2 SER HA H 2 4.503 5.101 -0.598 1
1 13 . 2 1 1 A 2 2 SER N N 2 116.858 110.810 6.048 1
1 14 . 2 1 1 A 3 3 GLY H H 3 8.847 8.232 0.615 1
1 15 . 2 1 1 A 3 3 GLY HA2 H 3 3.952 4.056 -0.104 1
1 16 . 2 1 1 A 3 3 GLY HA3 H 3 3.889 4.073 -0.184 1
1 17 . 2 1 1 A 3 3 GLY N N 3 109.347 110.367 -1.020 1
1 18 . 2 1 1 A 4 4 GLY H H 4 8.506 8.714 -0.208 1
1 19 . 2 1 1 A 4 4 GLY HA2 H 4 3.950 3.957 -0.007 1
1 20 . 2 1 1 A 4 4 GLY HA3 H 4 3.894 4.044 -0.150 1
1 21 . 2 1 1 A 4 4 GLY N N 4 106.797 113.378 -6.581 1
1 22 . 2 1 1 A 5 5 GLY H H 5 8.385 8.578 -0.193 1
1 23 . 2 1 1 A 5 5 GLY HA2 H 5 3.888 4.000 -0.112 1
1 24 . 2 1 1 A 5 5 GLY HA3 H 5 3.888 4.001 -0.113 1
1 25 . 2 1 1 A 5 5 GLY N N 5 109.554 109.934 -0.380 1
1 26 . 2 1 1 A 6 6 VAL H H 6 7.972 8.154 -0.182 1
1 27 . 2 1 1 A 6 6 VAL HA H 6 3.752 4.394 -0.642 1
1 35 . 2 1 1 A 6 6 VAL N N 6 120.821 119.118 1.703 1
1 36 . 2 1 1 A 7 7 PHE H H 7 7.978 8.112 -0.134 1
1 37 . 2 1 1 A 7 7 PHE HA H 7 4.287 4.065 0.222 1
1 43 . 2 1 1 A 7 7 PHE N N 7 117.926 123.384 -5.458 1
1 44 . 2 1 1 A 8 8 THR H H 8 7.871 8.244 -0.373 1
1 45 . 2 1 1 A 8 8 THR HA H 8 4.295 4.160 0.135 1
1 50 . 2 1 1 A 8 8 THR N N 8 113.783 115.596 -1.813 1
1 51 . 2 1 1 A 9 9 ASP H H 9 8.020 8.493 -0.473 1
1 52 . 2 1 1 A 9 9 ASP HA H 9 4.404 4.338 0.066 1
1 55 . 2 1 1 A 9 9 ASP N N 9 120.056 119.109 0.947 1
1 56 . 2 1 1 A 10 10 ILE H H 10 8.106 7.900 0.206 1
1 57 . 2 1 1 A 10 10 ILE HA H 10 3.691 3.658 0.033 1
1 67 . 2 1 1 A 10 10 ILE N N 10 120.413 120.555 -0.142 1
1 68 . 2 1 1 A 11 11 LEU H H 11 7.970 7.681 0.289 1
1 69 . 2 1 1 A 11 11 LEU HA H 11 3.977 4.044 -0.067 1
1 79 . 2 1 1 A 11 11 LEU N N 11 119.889 121.395 -1.506 1
1 80 . 2 1 1 A 12 12 ALA H H 12 8.492 8.517 -0.025 1
1 81 . 2 1 1 A 12 12 ALA HA H 12 4.091 4.020 0.071 1
1 85 . 2 1 1 A 12 12 ALA N N 12 120.843 122.199 -1.356 1
1 86 . 2 1 1 A 13 13 ALA H H 13 8.150 8.758 -0.608 1
1 87 . 2 1 1 A 13 13 ALA HA H 13 4.044 4.041 0.003 1
1 91 . 2 1 1 A 13 13 ALA N N 13 120.771 120.108 0.663 1
1 92 . 2 1 1 A 14 14 ALA H H 14 8.595 8.322 0.273 1
1 93 . 2 1 1 A 14 14 ALA HA H 14 4.042 4.019 0.023 1
1 97 . 2 1 1 A 14 14 ALA N N 14 119.961 120.079 -0.118 1
1 98 . 2 1 1 A 15 15 GLY H H 15 8.561 8.415 0.146 1
1 99 . 2 1 1 A 15 15 GLY HA2 H 15 3.910 3.801 0.109 1
1 100 . 2 1 1 A 15 15 GLY HA3 H 15 3.849 3.804 0.045 1
1 101 . 2 1 1 A 15 15 GLY N N 15 104.854 106.753 -1.899 1
1 102 . 2 1 1 A 16 16 ARG H H 16 8.102 8.035 0.067 1
1 103 . 2 1 1 A 16 16 ARG HA H 16 4.181 4.082 0.099 1
1 109 . 2 1 1 A 16 16 ARG N N 16 121.532 121.953 -0.421 1
1 111 . 2 1 1 A 17 17 ILE H H 17 8.247 8.609 -0.362 1
1 112 . 2 1 1 A 17 17 ILE HA H 17 3.633 3.652 -0.019 1
1 122 . 2 1 1 A 17 17 ILE N N 17 119.201 120.586 -1.385 1
1 123 . 2 1 1 A 18 18 PHE H H 18 8.398 9.216 -0.818 1
1 124 . 2 1 1 A 18 18 PHE HA H 18 4.218 3.974 0.244 1
1 131 . 2 1 1 A 18 18 PHE N N 18 119.810 120.491 -0.681 1
1 132 . 2 1 1 A 19 19 GLU H H 19 8.311 8.424 -0.113 1
1 133 . 2 1 1 A 19 19 GLU HA H 19 3.827 4.029 -0.202 1
1 138 . 2 1 1 A 19 19 GLU N N 19 116.913 117.908 -0.995 1
1 139 . 2 1 1 A 20 20 VAL H H 20 8.188 7.981 0.207 1
1 140 . 2 1 1 A 20 20 VAL HA H 20 3.642 3.957 -0.315 1
1 148 . 2 1 1 A 20 20 VAL N N 20 118.839 116.583 2.256 1
1 149 . 2 1 1 A 21 21 MET H H 21 8.366 8.254 0.112 1
1 150 . 2 1 1 A 21 21 MET HA H 21 4.100 4.311 -0.211 1
1 155 . 2 1 1 A 21 21 MET N N 21 119.506 120.341 -0.835 1
1 156 . 2 1 1 A 22 22 VAL H H 22 8.401 7.802 0.599 1
1 157 . 2 1 1 A 22 22 VAL HA H 22 3.437 3.493 -0.056 1
1 165 . 2 1 1 A 22 22 VAL N N 22 120.943 120.253 0.690 1
1 166 . 2 1 1 A 23 23 GLU H H 23 8.529 8.511 0.018 1
1 167 . 2 1 1 A 23 23 GLU HA H 23 4.123 4.200 -0.077 1
1 172 . 2 1 1 A 23 23 GLU N N 23 119.294 119.683 -0.389 1
1 173 . 2 1 1 A 24 24 GLY H H 24 9.007 7.701 1.306 1
1 174 . 2 1 1 A 24 24 GLY HA2 H 24 3.883 3.620 0.263 1
1 175 . 2 1 1 A 24 24 GLY HA3 H 24 3.946 3.633 0.313 1
1 176 . 2 1 1 A 24 24 GLY N N 24 106.427 109.022 -2.595 1
1 177 . 2 1 1 A 25 25 HIS H H 25 8.426 7.675 0.751 1
1 178 . 2 1 1 A 25 25 HIS HA H 25 4.277 3.990 0.287 1
1 183 . 2 1 1 A 25 25 HIS N N 25 121.686 121.719 -0.033 1
1 184 . 2 1 1 A 26 26 TRP H H 26 8.346 7.707 0.639 1
1 185 . 2 1 1 A 26 26 TRP HA H 26 4.356 4.378 -0.022 1
1 194 . 2 1 1 A 26 26 TRP N N 26 120.264 116.967 3.297 1
1 195 . 2 1 1 A 27 27 GLU H H 27 8.899 8.235 0.664 1
1 196 . 2 1 1 A 27 27 GLU HA H 27 4.084 4.185 -0.101 1
1 201 . 2 1 1 A 27 27 GLU N N 27 118.741 120.857 -2.116 1
1 202 . 2 1 1 A 28 28 THR H H 28 7.927 7.496 0.431 1
1 203 . 2 1 1 A 28 28 THR HA H 28 4.298 4.023 0.275 1
1 208 . 2 1 1 A 28 28 THR N N 28 115.172 115.649 -0.477 1
1 209 . 2 1 1 A 29 29 VAL H H 29 7.889 7.827 0.062 1
1 210 . 2 1 1 A 29 29 VAL HA H 29 3.493 3.834 -0.341 1
1 218 . 2 1 1 A 29 29 VAL N N 29 121.045 118.533 2.512 1
1 219 . 2 1 1 A 30 30 GLY H H 30 8.443 8.375 0.068 1
1 220 . 2 1 1 A 30 30 GLY HA2 H 30 3.833 4.007 -0.174 1
1 221 . 2 1 1 A 30 30 GLY HA3 H 30 3.797 4.038 -0.241 1
1 222 . 2 1 1 A 30 30 GLY N N 30 106.495 111.027 -4.532 1
1 223 . 2 1 1 A 31 31 MET H H 31 8.355 8.241 0.114 1
1 224 . 2 1 1 A 31 31 MET HA H 31 4.246 4.640 -0.394 1
1 229 . 2 1 1 A 31 31 MET N N 31 120.733 118.961 1.772 1
1 230 . 2 1 1 A 32 32 LEU H H 32 8.353 7.771 0.582 1
1 231 . 2 1 1 A 32 32 LEU HA H 32 4.092 3.974 0.118 1
1 241 . 2 1 1 A 32 32 LEU N N 32 122.587 117.130 5.457 1
1 242 . 2 1 1 A 33 33 PHE H H 33 8.723 9.029 -0.306 1
1 243 . 2 1 1 A 33 33 PHE HA H 33 4.198 4.033 0.165 1
1 248 . 2 1 1 A 33 33 PHE N N 33 119.435 121.416 -1.981 1
1 249 . 2 1 1 A 34 34 ASP H H 34 8.824 8.059 0.765 1
1 250 . 2 1 1 A 34 34 ASP HA H 34 4.475 4.525 -0.050 1
1 253 . 2 1 1 A 34 34 ASP N N 34 117.868 119.246 -1.378 1
1 254 . 2 1 1 A 35 35 SER H H 35 8.311 7.806 0.505 1
1 255 . 2 1 1 A 35 35 SER HA H 35 4.149 4.340 -0.191 1
1 258 . 2 1 1 A 35 35 SER N N 35 115.581 115.337 0.244 1
1 259 . 2 1 1 A 36 36 LEU H H 36 8.397 7.862 0.535 1
1 260 . 2 1 1 A 36 36 LEU HA H 36 4.164 4.509 -0.345 1
1 270 . 2 1 1 A 36 36 LEU N N 36 122.970 115.105 7.865 1
1 271 . 2 1 1 A 37 37 GLY H H 37 8.658 7.846 0.812 1
1 272 . 2 1 1 A 37 37 GLY HA2 H 37 3.794 4.096 -0.302 1
1 273 . 2 1 1 A 37 37 GLY HA3 H 37 3.794 4.289 -0.495 1
1 274 . 2 1 1 A 37 37 GLY N N 37 109.305 108.756 0.549 1
1 275 . 2 1 1 A 38 38 LYS H H 38 8.338 7.537 0.801 1
1 276 . 2 1 1 A 38 38 LYS HA H 38 4.003 4.578 -0.575 1
1 285 . 2 1 1 A 38 38 LYS N N 38 121.644 118.258 3.386 1
1 286 . 2 1 1 A 39 39 GLY H H 39 8.525 8.217 0.308 1
1 287 . 2 1 1 A 39 39 GLY HA2 H 39 3.862 3.927 -0.065 1
1 288 . 2 1 1 A 39 39 GLY HA3 H 39 3.789 3.934 -0.145 1
1 289 . 2 1 1 A 39 39 GLY N N 39 106.016 107.933 -1.917 1
1 290 . 2 1 1 A 40 40 THR H H 40 8.171 7.836 0.335 1
1 291 . 2 1 1 A 40 40 THR HA H 40 4.313 4.596 -0.283 1
1 296 . 2 1 1 A 40 40 THR N N 40 117.245 113.568 3.677 1
1 297 . 2 1 1 A 41 41 MET H H 41 8.097 8.237 -0.140 1
1 298 . 2 1 1 A 41 41 MET HA H 41 4.167 4.194 -0.027 1
1 303 . 2 1 1 A 41 41 MET N N 41 120.857 121.874 -1.017 1
1 304 . 2 1 1 A 42 42 ARG H H 42 8.193 8.029 0.164 1
1 305 . 2 1 1 A 42 42 ARG HA H 42 3.924 4.090 -0.166 1
1 313 . 2 1 1 A 42 42 ARG N N 42 119.314 120.444 -1.130 1
1 315 . 2 1 1 A 43 43 ILE H H 43 8.166 8.099 0.067 1
1 316 . 2 1 1 A 43 43 ILE HA H 43 3.718 3.679 0.039 1
1 326 . 2 1 1 A 43 43 ILE N N 43 119.185 119.718 -0.533 1
1 327 . 2 1 1 A 44 44 ASN H H 44 8.151 8.179 -0.028 1
1 328 . 2 1 1 A 44 44 ASN HA H 44 4.457 4.522 -0.065 1
1 333 . 2 1 1 A 44 44 ASN N N 44 118.343 118.235 0.108 1
1 335 . 2 1 1 A 45 45 ARG H H 45 8.550 8.263 0.287 1
1 336 . 2 1 1 A 45 45 ARG HA H 45 4.049 4.035 0.014 1
1 344 . 2 1 1 A 45 45 ARG N N 45 119.370 120.719 -1.349 1
1 346 . 2 1 1 A 46 46 ASN H H 46 8.363 8.851 -0.488 1
1 347 . 2 1 1 A 46 46 ASN HA H 46 4.506 4.509 -0.003 1
1 352 . 2 1 1 A 46 46 ASN N N 46 118.424 117.730 0.694 1
1 354 . 2 1 1 A 47 47 ALA H H 47 8.645 8.018 0.627 1
1 355 . 2 1 1 A 47 47 ALA HA H 47 4.089 4.113 -0.024 1
1 359 . 2 1 1 A 47 47 ALA N N 47 124.193 123.236 0.957 1
1 360 . 2 1 1 A 48 48 TYR H H 48 8.360 8.511 -0.151 1
1 361 . 2 1 1 A 48 48 TYR HA H 48 4.212 4.326 -0.114 1
1 368 . 2 1 1 A 48 48 TYR N N 48 117.771 118.000 -0.229 1
1 369 . 2 1 1 A 49 49 GLY H H 49 8.614 8.282 0.332 1
1 370 . 2 1 1 A 49 49 GLY HA2 H 49 3.860 4.011 -0.151 1
1 371 . 2 1 1 A 49 49 GLY HA3 H 49 3.860 4.032 -0.172 1
1 372 . 2 1 1 A 49 49 GLY N N 49 105.737 107.883 -2.146 1
1 373 . 2 1 1 A 50 50 SER H H 50 8.109 7.855 0.254 1
1 374 . 2 1 1 A 50 50 SER HA H 50 4.304 4.793 -0.489 1
1 377 . 2 1 1 A 50 50 SER N N 50 116.031 115.476 0.555 1
1 378 . 2 1 1 A 51 51 MET H H 51 7.911 8.533 -0.622 1
1 379 . 2 1 1 A 51 51 MET HA H 51 4.380 4.180 0.200 1
1 384 . 2 1 1 A 51 51 MET N N 51 119.528 120.089 -0.561 1
1 385 . 2 1 1 A 52 52 GLY H H 52 8.235 7.846 0.389 1
1 386 . 2 1 1 A 52 52 GLY HA2 H 52 3.863 2.335 1.528 1
1 387 . 2 1 1 A 52 52 GLY HA3 H 52 3.863 3.293 0.570 1
1 388 . 2 1 1 A 52 52 GLY N N 52 106.413 106.052 0.361 1
1 389 . 2 1 1 A 53 53 GLY H H 53 8.239 7.479 0.760 1
1 390 . 2 1 1 A 53 53 GLY HA2 H 53 3.706 3.992 -0.286 1
1 391 . 2 1 1 A 53 53 GLY HA3 H 53 3.706 3.998 -0.292 1
1 392 . 2 1 1 A 53 53 GLY N N 53 107.655 106.675 0.980 1
1 393 . 2 1 1 A 54 54 GLY H H 54 8.200 8.283 -0.083 1
1 394 . 2 1 1 A 54 54 GLY HA2 H 54 3.889 3.740 0.149 1
1 395 . 2 1 1 A 54 54 GLY HA3 H 54 3.828 3.751 0.077 1
1 396 . 2 1 1 A 54 54 GLY N N 54 107.173 109.165 -1.992 1
1 397 . 2 1 1 A 55 55 SER H H 55 7.995 7.835 0.160 1
1 398 . 2 1 1 A 55 55 SER HA H 55 4.300 4.544 -0.244 1
1 401 . 2 1 1 A 55 55 SER N N 55 115.203 116.553 -1.350 1
1 402 . 2 1 1 A 56 56 LEU H H 56 7.827 7.888 -0.061 1
1 403 . 2 1 1 A 56 56 LEU HA H 56 4.297 4.008 0.289 1
1 413 . 2 1 1 A 56 56 LEU N N 56 120.264 117.716 2.548 1
1 414 . 2 1 1 A 57 57 ARG H H 57 7.792 8.134 -0.342 1
1 415 . 2 1 1 A 57 57 ARG HA H 57 4.290 4.165 0.125 1
1 423 . 2 1 1 A 57 57 ARG N N 57 116.558 118.991 -2.433 1
1 425 . 2 1 1 A 58 58 GLY H H 58 8.062 7.829 0.233 1
1 426 . 2 1 1 A 58 58 GLY HA2 H 58 3.972 4.131 -0.159 1
1 427 . 2 1 1 A 58 58 GLY HA3 H 58 3.941 4.139 -0.198 1
1 428 . 2 1 1 A 58 58 GLY N N 58 106.017 107.154 -1.137 1
1 9 . 3 1 1 A 2 2 SER H H 2 8.739 8.835 -0.096 1
1 10 . 3 1 1 A 2 2 SER HA H 2 4.503 4.121 0.382 1
1 13 . 3 1 1 A 2 2 SER N N 2 116.858 120.972 -4.114 1
1 14 . 3 1 1 A 3 3 GLY H H 3 8.847 8.581 0.266 1
1 15 . 3 1 1 A 3 3 GLY HA2 H 3 3.952 3.838 0.114 1
1 16 . 3 1 1 A 3 3 GLY HA3 H 3 3.889 3.860 0.029 1
1 17 . 3 1 1 A 3 3 GLY N N 3 109.347 108.933 0.414 1
1 18 . 3 1 1 A 4 4 GLY H H 4 8.506 8.311 0.195 1
1 19 . 3 1 1 A 4 4 GLY HA2 H 4 3.950 4.022 -0.072 1
1 20 . 3 1 1 A 4 4 GLY HA3 H 4 3.894 4.085 -0.191 1
1 21 . 3 1 1 A 4 4 GLY N N 4 106.797 106.672 0.125 1
1 22 . 3 1 1 A 5 5 GLY H H 5 8.385 8.230 0.155 1
1 23 . 3 1 1 A 5 5 GLY HA2 H 5 3.888 3.934 -0.046 1
1 24 . 3 1 1 A 5 5 GLY HA3 H 5 3.888 3.937 -0.049 1
1 25 . 3 1 1 A 5 5 GLY N N 5 109.554 109.814 -0.260 1
1 26 . 3 1 1 A 6 6 VAL H H 6 7.972 8.069 -0.097 1
1 27 . 3 1 1 A 6 6 VAL HA H 6 3.752 4.415 -0.663 1
1 35 . 3 1 1 A 6 6 VAL N N 6 120.821 119.388 1.433 1
1 36 . 3 1 1 A 7 7 PHE H H 7 7.978 8.351 -0.373 1
1 37 . 3 1 1 A 7 7 PHE HA H 7 4.287 4.062 0.225 1
1 43 . 3 1 1 A 7 7 PHE N N 7 117.926 123.003 -5.077 1
1 44 . 3 1 1 A 8 8 THR H H 8 7.871 8.246 -0.375 1
1 45 . 3 1 1 A 8 8 THR HA H 8 4.295 4.187 0.108 1
1 50 . 3 1 1 A 8 8 THR N N 8 113.783 115.566 -1.783 1
1 51 . 3 1 1 A 9 9 ASP H H 9 8.020 8.454 -0.434 1
1 52 . 3 1 1 A 9 9 ASP HA H 9 4.404 4.358 0.046 1
1 55 . 3 1 1 A 9 9 ASP N N 9 120.056 119.054 1.002 1
1 56 . 3 1 1 A 10 10 ILE H H 10 8.106 8.028 0.078 1
1 57 . 3 1 1 A 10 10 ILE HA H 10 3.691 3.684 0.007 1
1 67 . 3 1 1 A 10 10 ILE N N 10 120.413 120.608 -0.195 1
1 68 . 3 1 1 A 11 11 LEU H H 11 7.970 7.665 0.305 1
1 69 . 3 1 1 A 11 11 LEU HA H 11 3.977 4.046 -0.069 1
1 79 . 3 1 1 A 11 11 LEU N N 11 119.889 121.375 -1.486 1
1 80 . 3 1 1 A 12 12 ALA H H 12 8.492 8.539 -0.047 1
1 81 . 3 1 1 A 12 12 ALA HA H 12 4.091 4.019 0.072 1
1 85 . 3 1 1 A 12 12 ALA N N 12 120.843 122.303 -1.460 1
1 86 . 3 1 1 A 13 13 ALA H H 13 8.150 8.721 -0.571 1
1 87 . 3 1 1 A 13 13 ALA HA H 13 4.044 4.061 -0.017 1
1 91 . 3 1 1 A 13 13 ALA N N 13 120.771 120.039 0.732 1
1 92 . 3 1 1 A 14 14 ALA H H 14 8.595 8.307 0.288 1
1 93 . 3 1 1 A 14 14 ALA HA H 14 4.042 4.021 0.021 1
1 97 . 3 1 1 A 14 14 ALA N N 14 119.961 120.103 -0.142 1
1 98 . 3 1 1 A 15 15 GLY H H 15 8.561 8.478 0.083 1
1 99 . 3 1 1 A 15 15 GLY HA2 H 15 3.910 3.824 0.086 1
1 100 . 3 1 1 A 15 15 GLY HA3 H 15 3.849 3.830 0.019 1
1 101 . 3 1 1 A 15 15 GLY N N 15 104.854 106.655 -1.801 1
1 102 . 3 1 1 A 16 16 ARG H H 16 8.102 8.125 -0.023 1
1 103 . 3 1 1 A 16 16 ARG HA H 16 4.181 4.086 0.095 1
1 109 . 3 1 1 A 16 16 ARG N N 16 121.532 121.887 -0.355 1
1 111 . 3 1 1 A 17 17 ILE H H 17 8.247 8.616 -0.369 1
1 112 . 3 1 1 A 17 17 ILE HA H 17 3.633 3.654 -0.021 1
1 122 . 3 1 1 A 17 17 ILE N N 17 119.201 120.503 -1.302 1
1 123 . 3 1 1 A 18 18 PHE H H 18 8.398 9.164 -0.766 1
1 124 . 3 1 1 A 18 18 PHE HA H 18 4.218 3.982 0.236 1
1 131 . 3 1 1 A 18 18 PHE N N 18 119.810 120.401 -0.591 1
1 132 . 3 1 1 A 19 19 GLU H H 19 8.311 8.506 -0.195 1
1 133 . 3 1 1 A 19 19 GLU HA H 19 3.827 4.035 -0.208 1
1 138 . 3 1 1 A 19 19 GLU N N 19 116.913 117.957 -1.044 1
1 139 . 3 1 1 A 20 20 VAL H H 20 8.188 8.082 0.106 1
1 140 . 3 1 1 A 20 20 VAL HA H 20 3.642 3.851 -0.209 1
1 148 . 3 1 1 A 20 20 VAL N N 20 118.839 116.633 2.206 1
1 149 . 3 1 1 A 21 21 MET H H 21 8.366 8.117 0.249 1
1 150 . 3 1 1 A 21 21 MET HA H 21 4.100 4.237 -0.137 1
1 155 . 3 1 1 A 21 21 MET N N 21 119.506 120.278 -0.772 1
1 156 . 3 1 1 A 22 22 VAL H H 22 8.401 7.788 0.613 1
1 157 . 3 1 1 A 22 22 VAL HA H 22 3.437 3.451 -0.014 1
1 165 . 3 1 1 A 22 22 VAL N N 22 120.943 120.230 0.713 1
1 166 . 3 1 1 A 23 23 GLU H H 23 8.529 8.929 -0.400 1
1 167 . 3 1 1 A 23 23 GLU HA H 23 4.123 4.250 -0.127 1
1 172 . 3 1 1 A 23 23 GLU N N 23 119.294 118.759 0.535 1
1 173 . 3 1 1 A 24 24 GLY H H 24 9.007 8.094 0.913 1
1 174 . 3 1 1 A 24 24 GLY HA2 H 24 3.883 3.657 0.226 1
1 175 . 3 1 1 A 24 24 GLY HA3 H 24 3.946 3.673 0.273 1
1 176 . 3 1 1 A 24 24 GLY N N 24 106.427 109.348 -2.921 1
1 177 . 3 1 1 A 25 25 HIS H H 25 8.426 7.854 0.572 1
1 178 . 3 1 1 A 25 25 HIS HA H 25 4.277 4.010 0.267 1
1 183 . 3 1 1 A 25 25 HIS N N 25 121.686 121.743 -0.057 1
1 184 . 3 1 1 A 26 26 TRP H H 26 8.346 7.935 0.411 1
1 185 . 3 1 1 A 26 26 TRP HA H 26 4.356 4.271 0.085 1
1 194 . 3 1 1 A 26 26 TRP N N 26 120.264 117.880 2.384 1
1 195 . 3 1 1 A 27 27 GLU H H 27 8.899 8.428 0.471 1
1 196 . 3 1 1 A 27 27 GLU HA H 27 4.084 4.026 0.058 1
1 201 . 3 1 1 A 27 27 GLU N N 27 118.741 120.700 -1.959 1
1 202 . 3 1 1 A 28 28 THR H H 28 7.927 7.547 0.380 1
1 203 . 3 1 1 A 28 28 THR HA H 28 4.298 4.042 0.256 1
1 208 . 3 1 1 A 28 28 THR N N 28 115.172 118.763 -3.591 1
1 209 . 3 1 1 A 29 29 VAL H H 29 7.889 7.806 0.083 1
1 210 . 3 1 1 A 29 29 VAL HA H 29 3.493 3.817 -0.324 1
1 218 . 3 1 1 A 29 29 VAL N N 29 121.045 119.264 1.781 1
1 219 . 3 1 1 A 30 30 GLY H H 30 8.443 8.145 0.298 1
1 220 . 3 1 1 A 30 30 GLY HA2 H 30 3.833 4.043 -0.210 1
1 221 . 3 1 1 A 30 30 GLY HA3 H 30 3.797 4.079 -0.282 1
1 222 . 3 1 1 A 30 30 GLY N N 30 106.495 111.176 -4.681 1
1 223 . 3 1 1 A 31 31 MET H H 31 8.355 7.921 0.434 1
1 224 . 3 1 1 A 31 31 MET HA H 31 4.246 4.608 -0.362 1
1 229 . 3 1 1 A 31 31 MET N N 31 120.733 118.720 2.013 1
1 230 . 3 1 1 A 32 32 LEU H H 32 8.353 7.940 0.413 1
1 231 . 3 1 1 A 32 32 LEU HA H 32 4.092 3.993 0.099 1
1 241 . 3 1 1 A 32 32 LEU N N 32 122.587 117.141 5.446 1
1 242 . 3 1 1 A 33 33 PHE H H 33 8.723 9.106 -0.383 1
1 243 . 3 1 1 A 33 33 PHE HA H 33 4.198 4.084 0.114 1
1 248 . 3 1 1 A 33 33 PHE N N 33 119.435 121.860 -2.425 1
1 249 . 3 1 1 A 34 34 ASP H H 34 8.824 7.831 0.993 1
1 250 . 3 1 1 A 34 34 ASP HA H 34 4.475 4.213 0.262 1
1 253 . 3 1 1 A 34 34 ASP N N 34 117.868 119.055 -1.187 1
1 254 . 3 1 1 A 35 35 SER H H 35 8.311 7.918 0.393 1
1 255 . 3 1 1 A 35 35 SER HA H 35 4.149 4.232 -0.083 1
1 258 . 3 1 1 A 35 35 SER N N 35 115.581 113.834 1.747 1
1 259 . 3 1 1 A 36 36 LEU H H 36 8.397 7.567 0.830 1
1 260 . 3 1 1 A 36 36 LEU HA H 36 4.164 4.745 -0.581 1
1 270 . 3 1 1 A 36 36 LEU N N 36 122.970 117.204 5.766 1
1 271 . 3 1 1 A 37 37 GLY H H 37 8.658 7.809 0.849 1
1 272 . 3 1 1 A 37 37 GLY HA2 H 37 3.794 3.430 0.364 1
1 273 . 3 1 1 A 37 37 GLY HA3 H 37 3.794 3.908 -0.114 1
1 274 . 3 1 1 A 37 37 GLY N N 37 109.305 109.923 -0.618 1
1 275 . 3 1 1 A 38 38 LYS H H 38 8.338 7.602 0.736 1
1 276 . 3 1 1 A 38 38 LYS HA H 38 4.003 3.920 0.083 1
1 285 . 3 1 1 A 38 38 LYS N N 38 121.644 122.333 -0.689 1
1 286 . 3 1 1 A 39 39 GLY H H 39 8.525 8.139 0.386 1
1 287 . 3 1 1 A 39 39 GLY HA2 H 39 3.862 3.974 -0.112 1
1 288 . 3 1 1 A 39 39 GLY HA3 H 39 3.789 3.981 -0.192 1
1 289 . 3 1 1 A 39 39 GLY N N 39 106.016 106.776 -0.760 1
1 290 . 3 1 1 A 40 40 THR H H 40 8.171 7.660 0.511 1
1 291 . 3 1 1 A 40 40 THR HA H 40 4.313 4.519 -0.206 1
1 296 . 3 1 1 A 40 40 THR N N 40 117.245 112.451 4.794 1
1 297 . 3 1 1 A 41 41 MET H H 41 8.097 8.673 -0.576 1
1 298 . 3 1 1 A 41 41 MET HA H 41 4.167 4.093 0.074 1
1 303 . 3 1 1 A 41 41 MET N N 41 120.857 125.648 -4.791 1
1 304 . 3 1 1 A 42 42 ARG H H 42 8.193 8.124 0.069 1
1 305 . 3 1 1 A 42 42 ARG HA H 42 3.924 4.107 -0.183 1
1 313 . 3 1 1 A 42 42 ARG N N 42 119.314 119.396 -0.082 1
1 315 . 3 1 1 A 43 43 ILE H H 43 8.166 8.242 -0.076 1
1 316 . 3 1 1 A 43 43 ILE HA H 43 3.718 3.811 -0.093 1
1 326 . 3 1 1 A 43 43 ILE N N 43 119.185 119.796 -0.611 1
1 327 . 3 1 1 A 44 44 ASN H H 44 8.151 8.028 0.123 1
1 328 . 3 1 1 A 44 44 ASN HA H 44 4.457 4.620 -0.163 1
1 333 . 3 1 1 A 44 44 ASN N N 44 118.343 119.103 -0.760 1
1 335 . 3 1 1 A 45 45 ARG H H 45 8.550 8.052 0.498 1
1 336 . 3 1 1 A 45 45 ARG HA H 45 4.049 4.163 -0.114 1
1 344 . 3 1 1 A 45 45 ARG N N 45 119.370 120.166 -0.796 1
1 346 . 3 1 1 A 46 46 ASN H H 46 8.363 8.357 0.006 1
1 347 . 3 1 1 A 46 46 ASN HA H 46 4.506 4.516 -0.010 1
1 352 . 3 1 1 A 46 46 ASN N N 46 118.424 118.289 0.135 1
1 354 . 3 1 1 A 47 47 ALA H H 47 8.645 8.217 0.428 1
1 355 . 3 1 1 A 47 47 ALA HA H 47 4.089 4.125 -0.036 1
1 359 . 3 1 1 A 47 47 ALA N N 47 124.193 123.649 0.544 1
1 360 . 3 1 1 A 48 48 TYR H H 48 8.360 8.407 -0.047 1
1 361 . 3 1 1 A 48 48 TYR HA H 48 4.212 4.308 -0.096 1
1 368 . 3 1 1 A 48 48 TYR N N 48 117.771 118.525 -0.754 1
1 369 . 3 1 1 A 49 49 GLY H H 49 8.614 8.208 0.406 1
1 370 . 3 1 1 A 49 49 GLY HA2 H 49 3.860 4.028 -0.168 1
1 371 . 3 1 1 A 49 49 GLY HA3 H 49 3.860 4.052 -0.192 1
1 372 . 3 1 1 A 49 49 GLY N N 49 105.737 107.647 -1.910 1
1 373 . 3 1 1 A 50 50 SER H H 50 8.109 7.723 0.386 1
1 374 . 3 1 1 A 50 50 SER HA H 50 4.304 4.663 -0.359 1
1 377 . 3 1 1 A 50 50 SER N N 50 116.031 113.680 2.351 1
1 378 . 3 1 1 A 51 51 MET H H 51 7.911 8.676 -0.765 1
1 379 . 3 1 1 A 51 51 MET HA H 51 4.380 4.232 0.148 1
1 384 . 3 1 1 A 51 51 MET N N 51 119.528 120.040 -0.512 1
1 385 . 3 1 1 A 52 52 GLY H H 52 8.235 7.634 0.601 1
1 386 . 3 1 1 A 52 52 GLY HA2 H 52 3.863 2.714 1.149 1
1 387 . 3 1 1 A 52 52 GLY HA3 H 52 3.863 3.453 0.410 1
1 388 . 3 1 1 A 52 52 GLY N N 52 106.413 108.044 -1.631 1
1 389 . 3 1 1 A 53 53 GLY H H 53 8.239 7.985 0.254 1
1 390 . 3 1 1 A 53 53 GLY HA2 H 53 3.706 3.933 -0.227 1
1 391 . 3 1 1 A 53 53 GLY HA3 H 53 3.706 3.945 -0.239 1
1 392 . 3 1 1 A 53 53 GLY N N 53 107.655 108.327 -0.672 1
1 393 . 3 1 1 A 54 54 GLY H H 54 8.200 7.080 1.120 1
1 394 . 3 1 1 A 54 54 GLY HA2 H 54 3.889 4.049 -0.160 1
1 395 . 3 1 1 A 54 54 GLY HA3 H 54 3.828 4.064 -0.236 1
1 396 . 3 1 1 A 54 54 GLY N N 54 107.173 107.351 -0.178 1
1 397 . 3 1 1 A 55 55 SER H H 55 7.995 8.481 -0.486 1
1 398 . 3 1 1 A 55 55 SER HA H 55 4.300 4.174 0.126 1
1 401 . 3 1 1 A 55 55 SER N N 55 115.203 113.370 1.833 1
1 402 . 3 1 1 A 56 56 LEU H H 56 7.827 8.007 -0.180 1
1 403 . 3 1 1 A 56 56 LEU HA H 56 4.297 3.875 0.422 1
1 413 . 3 1 1 A 56 56 LEU N N 56 120.264 113.387 6.877 1
1 414 . 3 1 1 A 57 57 ARG H H 57 7.792 8.093 -0.301 1
1 415 . 3 1 1 A 57 57 ARG HA H 57 4.290 4.183 0.107 1
1 423 . 3 1 1 A 57 57 ARG N N 57 116.558 117.349 -0.791 1
1 425 . 3 1 1 A 58 58 GLY H H 58 8.062 7.813 0.249 1
1 426 . 3 1 1 A 58 58 GLY HA2 H 58 3.972 4.103 -0.131 1
1 427 . 3 1 1 A 58 58 GLY HA3 H 58 3.941 4.105 -0.164 1
1 428 . 3 1 1 A 58 58 GLY N N 58 106.017 107.835 -1.818 1
1 9 . 4 1 1 A 2 2 SER H H 2 8.739 8.701 0.038 1
1 10 . 4 1 1 A 2 2 SER HA H 2 4.503 4.847 -0.344 1
1 13 . 4 1 1 A 2 2 SER N N 2 116.858 116.515 0.343 1
1 14 . 4 1 1 A 3 3 GLY H H 3 8.847 8.886 -0.039 1
1 15 . 4 1 1 A 3 3 GLY HA2 H 3 3.952 3.924 0.028 1
1 16 . 4 1 1 A 3 3 GLY HA3 H 3 3.889 3.959 -0.070 1
1 17 . 4 1 1 A 3 3 GLY N N 3 109.347 116.348 -7.001 1
1 18 . 4 1 1 A 4 4 GLY H H 4 8.506 8.504 0.002 1
1 19 . 4 1 1 A 4 4 GLY HA2 H 4 3.950 3.945 0.005 1
1 20 . 4 1 1 A 4 4 GLY HA3 H 4 3.894 3.993 -0.099 1
1 21 . 4 1 1 A 4 4 GLY N N 4 106.797 110.801 -4.004 1
1 22 . 4 1 1 A 5 5 GLY H H 5 8.385 8.137 0.248 1
1 23 . 4 1 1 A 5 5 GLY HA2 H 5 3.888 4.023 -0.135 1
1 24 . 4 1 1 A 5 5 GLY HA3 H 5 3.888 4.027 -0.139 1
1 25 . 4 1 1 A 5 5 GLY N N 5 109.554 108.833 0.721 1
1 26 . 4 1 1 A 6 6 VAL H H 6 7.972 7.539 0.433 1
1 27 . 4 1 1 A 6 6 VAL HA H 6 3.752 4.321 -0.569 1
1 35 . 4 1 1 A 6 6 VAL N N 6 120.821 118.475 2.346 1
1 36 . 4 1 1 A 7 7 PHE H H 7 7.978 8.616 -0.638 1
1 37 . 4 1 1 A 7 7 PHE HA H 7 4.287 4.071 0.216 1
1 43 . 4 1 1 A 7 7 PHE N N 7 117.926 120.756 -2.830 1
1 44 . 4 1 1 A 8 8 THR H H 8 7.871 8.282 -0.411 1
1 45 . 4 1 1 A 8 8 THR HA H 8 4.295 4.193 0.102 1
1 50 . 4 1 1 A 8 8 THR N N 8 113.783 115.086 -1.303 1
1 51 . 4 1 1 A 9 9 ASP H H 9 8.020 8.080 -0.060 1
1 52 . 4 1 1 A 9 9 ASP HA H 9 4.404 4.372 0.032 1
1 55 . 4 1 1 A 9 9 ASP N N 9 120.056 121.271 -1.215 1
1 56 . 4 1 1 A 10 10 ILE H H 10 8.106 7.709 0.397 1
1 57 . 4 1 1 A 10 10 ILE HA H 10 3.691 3.631 0.060 1
1 67 . 4 1 1 A 10 10 ILE N N 10 120.413 120.528 -0.115 1
1 68 . 4 1 1 A 11 11 LEU H H 11 7.970 8.008 -0.038 1
1 69 . 4 1 1 A 11 11 LEU HA H 11 3.977 4.024 -0.047 1
1 79 . 4 1 1 A 11 11 LEU N N 11 119.889 121.684 -1.795 1
1 80 . 4 1 1 A 12 12 ALA H H 12 8.492 8.782 -0.290 1
1 81 . 4 1 1 A 12 12 ALA HA H 12 4.091 4.043 0.048 1
1 85 . 4 1 1 A 12 12 ALA N N 12 120.843 121.148 -0.305 1
1 86 . 4 1 1 A 13 13 ALA H H 13 8.150 8.409 -0.259 1
1 87 . 4 1 1 A 13 13 ALA HA H 13 4.044 4.050 -0.006 1
1 91 . 4 1 1 A 13 13 ALA N N 13 120.771 119.823 0.948 1
1 92 . 4 1 1 A 14 14 ALA H H 14 8.595 8.707 -0.112 1
1 93 . 4 1 1 A 14 14 ALA HA H 14 4.042 4.032 0.010 1
1 97 . 4 1 1 A 14 14 ALA N N 14 119.961 120.059 -0.098 1
1 98 . 4 1 1 A 15 15 GLY H H 15 8.561 8.588 -0.027 1
1 99 . 4 1 1 A 15 15 GLY HA2 H 15 3.910 3.839 0.071 1
1 100 . 4 1 1 A 15 15 GLY HA3 H 15 3.849 3.842 0.007 1
1 101 . 4 1 1 A 15 15 GLY N N 15 104.854 106.170 -1.316 1
1 102 . 4 1 1 A 16 16 ARG H H 16 8.102 8.418 -0.316 1
1 103 . 4 1 1 A 16 16 ARG HA H 16 4.181 4.087 0.094 1
1 109 . 4 1 1 A 16 16 ARG N N 16 121.532 121.023 0.509 1
1 111 . 4 1 1 A 17 17 ILE H H 17 8.247 8.772 -0.525 1
1 112 . 4 1 1 A 17 17 ILE HA H 17 3.633 3.671 -0.038 1
1 122 . 4 1 1 A 17 17 ILE N N 17 119.201 121.753 -2.552 1
1 123 . 4 1 1 A 18 18 PHE H H 18 8.398 8.993 -0.595 1
1 124 . 4 1 1 A 18 18 PHE HA H 18 4.218 4.020 0.198 1
1 131 . 4 1 1 A 18 18 PHE N N 18 119.810 120.324 -0.514 1
1 132 . 4 1 1 A 19 19 GLU H H 19 8.311 8.600 -0.289 1
1 133 . 4 1 1 A 19 19 GLU HA H 19 3.827 3.979 -0.152 1
1 138 . 4 1 1 A 19 19 GLU N N 19 116.913 118.018 -1.105 1
1 139 . 4 1 1 A 20 20 VAL H H 20 8.188 8.102 0.086 1
1 140 . 4 1 1 A 20 20 VAL HA H 20 3.642 3.999 -0.357 1
1 148 . 4 1 1 A 20 20 VAL N N 20 118.839 117.117 1.722 1
1 149 . 4 1 1 A 21 21 MET H H 21 8.366 8.248 0.118 1
1 150 . 4 1 1 A 21 21 MET HA H 21 4.100 4.318 -0.218 1
1 155 . 4 1 1 A 21 21 MET N N 21 119.506 120.108 -0.602 1
1 156 . 4 1 1 A 22 22 VAL H H 22 8.401 7.700 0.701 1
1 157 . 4 1 1 A 22 22 VAL HA H 22 3.437 3.665 -0.228 1
1 165 . 4 1 1 A 22 22 VAL N N 22 120.943 120.274 0.669 1
1 166 . 4 1 1 A 23 23 GLU H H 23 8.529 8.759 -0.230 1
1 167 . 4 1 1 A 23 23 GLU HA H 23 4.123 4.163 -0.040 1
1 172 . 4 1 1 A 23 23 GLU N N 23 119.294 119.763 -0.469 1
1 173 . 4 1 1 A 24 24 GLY H H 24 9.007 7.923 1.084 1
1 174 . 4 1 1 A 24 24 GLY HA2 H 24 3.883 3.630 0.253 1
1 175 . 4 1 1 A 24 24 GLY HA3 H 24 3.946 3.640 0.306 1
1 176 . 4 1 1 A 24 24 GLY N N 24 106.427 109.122 -2.695 1
1 177 . 4 1 1 A 25 25 HIS H H 25 8.426 8.129 0.297 1
1 178 . 4 1 1 A 25 25 HIS HA H 25 4.277 4.031 0.246 1
1 183 . 4 1 1 A 25 25 HIS N N 25 121.686 121.598 0.088 1
1 184 . 4 1 1 A 26 26 TRP H H 26 8.346 8.357 -0.011 1
1 185 . 4 1 1 A 26 26 TRP HA H 26 4.356 4.316 0.040 1
1 194 . 4 1 1 A 26 26 TRP N N 26 120.264 118.158 2.106 1
1 195 . 4 1 1 A 27 27 GLU H H 27 8.899 8.064 0.835 1
1 196 . 4 1 1 A 27 27 GLU HA H 27 4.084 4.254 -0.170 1
1 201 . 4 1 1 A 27 27 GLU N N 27 118.741 120.881 -2.140 1
1 202 . 4 1 1 A 28 28 THR H H 28 7.927 7.757 0.170 1
1 203 . 4 1 1 A 28 28 THR HA H 28 4.298 4.008 0.290 1
1 208 . 4 1 1 A 28 28 THR N N 28 115.172 115.396 -0.224 1
1 209 . 4 1 1 A 29 29 VAL H H 29 7.889 7.319 0.570 1
1 210 . 4 1 1 A 29 29 VAL HA H 29 3.493 3.754 -0.261 1
1 218 . 4 1 1 A 29 29 VAL N N 29 121.045 117.746 3.299 1
1 219 . 4 1 1 A 30 30 GLY H H 30 8.443 8.450 -0.007 1
1 220 . 4 1 1 A 30 30 GLY HA2 H 30 3.833 4.063 -0.230 1
1 221 . 4 1 1 A 30 30 GLY HA3 H 30 3.797 4.127 -0.330 1
1 222 . 4 1 1 A 30 30 GLY N N 30 106.495 111.160 -4.665 1
1 223 . 4 1 1 A 31 31 MET H H 31 8.355 8.159 0.196 1
1 224 . 4 1 1 A 31 31 MET HA H 31 4.246 4.586 -0.340 1
1 229 . 4 1 1 A 31 31 MET N N 31 120.733 119.345 1.388 1
1 230 . 4 1 1 A 32 32 LEU H H 32 8.353 7.753 0.600 1
1 231 . 4 1 1 A 32 32 LEU HA H 32 4.092 3.967 0.125 1
1 241 . 4 1 1 A 32 32 LEU N N 32 122.587 117.139 5.448 1
1 242 . 4 1 1 A 33 33 PHE H H 33 8.723 9.144 -0.421 1
1 243 . 4 1 1 A 33 33 PHE HA H 33 4.198 3.992 0.206 1
1 248 . 4 1 1 A 33 33 PHE N N 33 119.435 121.563 -2.128 1
1 249 . 4 1 1 A 34 34 ASP H H 34 8.824 8.356 0.468 1
1 250 . 4 1 1 A 34 34 ASP HA H 34 4.475 4.097 0.378 1
1 253 . 4 1 1 A 34 34 ASP N N 34 117.868 118.817 -0.949 1
1 254 . 4 1 1 A 35 35 SER H H 35 8.311 7.992 0.319 1
1 255 . 4 1 1 A 35 35 SER HA H 35 4.149 4.237 -0.088 1
1 258 . 4 1 1 A 35 35 SER N N 35 115.581 113.889 1.692 1
1 259 . 4 1 1 A 36 36 LEU H H 36 8.397 7.516 0.881 1
1 260 . 4 1 1 A 36 36 LEU HA H 36 4.164 4.678 -0.514 1
1 270 . 4 1 1 A 36 36 LEU N N 36 122.970 116.572 6.398 1
1 271 . 4 1 1 A 37 37 GLY H H 37 8.658 7.805 0.853 1
1 272 . 4 1 1 A 37 37 GLY HA2 H 37 3.794 3.283 0.511 1
1 273 . 4 1 1 A 37 37 GLY HA3 H 37 3.794 3.964 -0.170 1
1 274 . 4 1 1 A 37 37 GLY N N 37 109.305 109.486 -0.181 1
1 275 . 4 1 1 A 38 38 LYS H H 38 8.338 7.541 0.797 1
1 276 . 4 1 1 A 38 38 LYS HA H 38 4.003 3.994 0.009 1
1 285 . 4 1 1 A 38 38 LYS N N 38 121.644 122.363 -0.719 1
1 286 . 4 1 1 A 39 39 GLY H H 39 8.525 8.114 0.411 1
1 287 . 4 1 1 A 39 39 GLY HA2 H 39 3.862 3.687 0.175 1
1 288 . 4 1 1 A 39 39 GLY HA3 H 39 3.789 3.689 0.100 1
1 289 . 4 1 1 A 39 39 GLY N N 39 106.016 107.473 -1.457 1
1 290 . 4 1 1 A 40 40 THR H H 40 8.171 8.016 0.155 1
1 291 . 4 1 1 A 40 40 THR HA H 40 4.313 4.106 0.207 1
1 296 . 4 1 1 A 40 40 THR N N 40 117.245 116.959 0.286 1
1 297 . 4 1 1 A 41 41 MET H H 41 8.097 8.413 -0.316 1
1 298 . 4 1 1 A 41 41 MET HA H 41 4.167 4.267 -0.100 1
1 303 . 4 1 1 A 41 41 MET N N 41 120.857 118.561 2.296 1
1 304 . 4 1 1 A 42 42 ARG H H 42 8.193 8.027 0.166 1
1 305 . 4 1 1 A 42 42 ARG HA H 42 3.924 4.085 -0.161 1
1 313 . 4 1 1 A 42 42 ARG N N 42 119.314 119.623 -0.309 1
1 315 . 4 1 1 A 43 43 ILE H H 43 8.166 8.067 0.099 1
1 316 . 4 1 1 A 43 43 ILE HA H 43 3.718 3.704 0.014 1
1 326 . 4 1 1 A 43 43 ILE N N 43 119.185 119.824 -0.639 1
1 327 . 4 1 1 A 44 44 ASN H H 44 8.151 8.276 -0.125 1
1 328 . 4 1 1 A 44 44 ASN HA H 44 4.457 4.599 -0.142 1
1 333 . 4 1 1 A 44 44 ASN N N 44 118.343 118.760 -0.417 1
1 335 . 4 1 1 A 45 45 ARG H H 45 8.550 7.769 0.781 1
1 336 . 4 1 1 A 45 45 ARG HA H 45 4.049 4.098 -0.049 1
1 344 . 4 1 1 A 45 45 ARG N N 45 119.370 119.920 -0.550 1
1 346 . 4 1 1 A 46 46 ASN H H 46 8.363 8.407 -0.044 1
1 347 . 4 1 1 A 46 46 ASN HA H 46 4.506 4.512 -0.006 1
1 352 . 4 1 1 A 46 46 ASN N N 46 118.424 118.335 0.089 1
1 354 . 4 1 1 A 47 47 ALA H H 47 8.645 8.147 0.498 1
1 355 . 4 1 1 A 47 47 ALA HA H 47 4.089 4.107 -0.018 1
1 359 . 4 1 1 A 47 47 ALA N N 47 124.193 123.259 0.934 1
1 360 . 4 1 1 A 48 48 TYR H H 48 8.360 8.757 -0.397 1
1 361 . 4 1 1 A 48 48 TYR HA H 48 4.212 4.362 -0.150 1
1 368 . 4 1 1 A 48 48 TYR N N 48 117.771 117.846 -0.075 1
1 369 . 4 1 1 A 49 49 GLY H H 49 8.614 8.215 0.399 1
1 370 . 4 1 1 A 49 49 GLY HA2 H 49 3.860 4.010 -0.150 1
1 371 . 4 1 1 A 49 49 GLY HA3 H 49 3.860 4.027 -0.167 1
1 372 . 4 1 1 A 49 49 GLY N N 49 105.737 107.803 -2.066 1
1 373 . 4 1 1 A 50 50 SER H H 50 8.109 7.840 0.269 1
1 374 . 4 1 1 A 50 50 SER HA H 50 4.304 4.758 -0.454 1
1 377 . 4 1 1 A 50 50 SER N N 50 116.031 115.693 0.338 1
1 378 . 4 1 1 A 51 51 MET H H 51 7.911 8.669 -0.758 1
1 379 . 4 1 1 A 51 51 MET HA H 51 4.380 4.284 0.096 1
1 384 . 4 1 1 A 51 51 MET N N 51 119.528 119.966 -0.438 1
1 385 . 4 1 1 A 52 52 GLY H H 52 8.235 7.804 0.431 1
1 386 . 4 1 1 A 52 52 GLY HA2 H 52 3.863 2.381 1.482 1
1 387 . 4 1 1 A 52 52 GLY HA3 H 52 3.863 3.433 0.430 1
1 388 . 4 1 1 A 52 52 GLY N N 52 106.413 106.021 0.392 1
1 389 . 4 1 1 A 53 53 GLY H H 53 8.239 7.426 0.813 1
1 390 . 4 1 1 A 53 53 GLY HA2 H 53 3.706 3.943 -0.237 1
1 391 . 4 1 1 A 53 53 GLY HA3 H 53 3.706 3.948 -0.242 1
1 392 . 4 1 1 A 53 53 GLY N N 53 107.655 107.229 0.426 1
1 393 . 4 1 1 A 54 54 GLY H H 54 8.200 8.100 0.100 1
1 394 . 4 1 1 A 54 54 GLY HA2 H 54 3.889 4.125 -0.236 1
1 395 . 4 1 1 A 54 54 GLY HA3 H 54 3.828 4.128 -0.300 1
1 396 . 4 1 1 A 54 54 GLY N N 54 107.173 108.406 -1.233 1
1 397 . 4 1 1 A 55 55 SER H H 55 7.995 8.023 -0.028 1
1 398 . 4 1 1 A 55 55 SER HA H 55 4.300 4.323 -0.023 1
1 401 . 4 1 1 A 55 55 SER N N 55 115.203 117.687 -2.484 1
1 402 . 4 1 1 A 56 56 LEU H H 56 7.827 8.189 -0.362 1
1 403 . 4 1 1 A 56 56 LEU HA H 56 4.297 4.174 0.123 1
1 413 . 4 1 1 A 56 56 LEU N N 56 120.264 120.381 -0.117 1
1 414 . 4 1 1 A 57 57 ARG H H 57 7.792 7.974 -0.182 1
1 415 . 4 1 1 A 57 57 ARG HA H 57 4.290 4.357 -0.067 1
1 423 . 4 1 1 A 57 57 ARG N N 57 116.558 116.904 -0.346 1
1 425 . 4 1 1 A 58 58 GLY H H 58 8.062 7.023 1.039 1
1 426 . 4 1 1 A 58 58 GLY HA2 H 58 3.972 4.103 -0.131 1
1 427 . 4 1 1 A 58 58 GLY HA3 H 58 3.941 4.106 -0.165 1
1 428 . 4 1 1 A 58 58 GLY N N 58 106.017 106.869 -0.852 1
1 9 . 5 1 1 A 2 2 SER H H 2 8.739 7.981 0.758 1
1 10 . 5 1 1 A 2 2 SER HA H 2 4.503 4.722 -0.219 1
1 13 . 5 1 1 A 2 2 SER N N 2 116.858 115.043 1.815 1
1 14 . 5 1 1 A 3 3 GLY H H 3 8.847 8.107 0.740 1
1 15 . 5 1 1 A 3 3 GLY HA2 H 3 3.952 4.046 -0.094 1
1 16 . 5 1 1 A 3 3 GLY HA3 H 3 3.889 4.078 -0.189 1
1 17 . 5 1 1 A 3 3 GLY N N 3 109.347 109.462 -0.115 1
1 18 . 5 1 1 A 4 4 GLY H H 4 8.506 8.414 0.092 1
1 19 . 5 1 1 A 4 4 GLY HA2 H 4 3.950 2.793 1.157 1
1 20 . 5 1 1 A 4 4 GLY HA3 H 4 3.894 3.357 0.537 1
1 21 . 5 1 1 A 4 4 GLY N N 4 106.797 109.095 -2.298 1
1 22 . 5 1 1 A 5 5 GLY H H 5 8.385 8.208 0.177 1
1 23 . 5 1 1 A 5 5 GLY HA2 H 5 3.888 3.840 0.048 1
1 24 . 5 1 1 A 5 5 GLY HA3 H 5 3.888 3.885 0.003 1
1 25 . 5 1 1 A 5 5 GLY N N 5 109.554 108.602 0.952 1
1 26 . 5 1 1 A 6 6 VAL H H 6 7.972 7.685 0.287 1
1 27 . 5 1 1 A 6 6 VAL HA H 6 3.752 4.230 -0.478 1
1 35 . 5 1 1 A 6 6 VAL N N 6 120.821 118.160 2.661 1
1 36 . 5 1 1 A 7 7 PHE H H 7 7.978 8.181 -0.203 1
1 37 . 5 1 1 A 7 7 PHE HA H 7 4.287 4.371 -0.084 1
1 43 . 5 1 1 A 7 7 PHE N N 7 117.926 119.384 -1.458 1
1 44 . 5 1 1 A 8 8 THR H H 8 7.871 7.357 0.514 1
1 45 . 5 1 1 A 8 8 THR HA H 8 4.295 4.206 0.089 1
1 50 . 5 1 1 A 8 8 THR N N 8 113.783 116.158 -2.375 1
1 51 . 5 1 1 A 9 9 ASP H H 9 8.020 8.283 -0.263 1
1 52 . 5 1 1 A 9 9 ASP HA H 9 4.404 4.372 0.032 1
1 55 . 5 1 1 A 9 9 ASP N N 9 120.056 120.567 -0.511 1
1 56 . 5 1 1 A 10 10 ILE H H 10 8.106 7.666 0.440 1
1 57 . 5 1 1 A 10 10 ILE HA H 10 3.691 3.690 0.001 1
1 67 . 5 1 1 A 10 10 ILE N N 10 120.413 120.384 0.029 1
1 68 . 5 1 1 A 11 11 LEU H H 11 7.970 8.103 -0.133 1
1 69 . 5 1 1 A 11 11 LEU HA H 11 3.977 4.089 -0.112 1
1 79 . 5 1 1 A 11 11 LEU N N 11 119.889 119.053 0.836 1
1 80 . 5 1 1 A 12 12 ALA H H 12 8.492 8.850 -0.358 1
1 81 . 5 1 1 A 12 12 ALA HA H 12 4.091 4.017 0.074 1
1 85 . 5 1 1 A 12 12 ALA N N 12 120.843 122.274 -1.431 1
1 86 . 5 1 1 A 13 13 ALA H H 13 8.150 8.628 -0.478 1
1 87 . 5 1 1 A 13 13 ALA HA H 13 4.044 4.103 -0.059 1
1 91 . 5 1 1 A 13 13 ALA N N 13 120.771 120.069 0.702 1
1 92 . 5 1 1 A 14 14 ALA H H 14 8.595 8.695 -0.100 1
1 93 . 5 1 1 A 14 14 ALA HA H 14 4.042 4.074 -0.032 1
1 97 . 5 1 1 A 14 14 ALA N N 14 119.961 120.166 -0.205 1
1 98 . 5 1 1 A 15 15 GLY H H 15 8.561 8.494 0.067 1
1 99 . 5 1 1 A 15 15 GLY HA2 H 15 3.910 3.805 0.105 1
1 100 . 5 1 1 A 15 15 GLY HA3 H 15 3.849 3.806 0.043 1
1 101 . 5 1 1 A 15 15 GLY N N 15 104.854 106.654 -1.800 1
1 102 . 5 1 1 A 16 16 ARG H H 16 8.102 8.085 0.017 1
1 103 . 5 1 1 A 16 16 ARG HA H 16 4.181 4.110 0.071 1
1 109 . 5 1 1 A 16 16 ARG N N 16 121.532 122.010 -0.478 1
1 111 . 5 1 1 A 17 17 ILE H H 17 8.247 8.642 -0.395 1
1 112 . 5 1 1 A 17 17 ILE HA H 17 3.633 3.666 -0.033 1
1 122 . 5 1 1 A 17 17 ILE N N 17 119.201 120.417 -1.216 1
1 123 . 5 1 1 A 18 18 PHE H H 18 8.398 9.097 -0.699 1
1 124 . 5 1 1 A 18 18 PHE HA H 18 4.218 4.010 0.208 1
1 131 . 5 1 1 A 18 18 PHE N N 18 119.810 120.416 -0.606 1
1 132 . 5 1 1 A 19 19 GLU H H 19 8.311 8.714 -0.403 1
1 133 . 5 1 1 A 19 19 GLU HA H 19 3.827 4.011 -0.184 1
1 138 . 5 1 1 A 19 19 GLU N N 19 116.913 118.270 -1.357 1
1 139 . 5 1 1 A 20 20 VAL H H 20 8.188 8.526 -0.338 1
1 140 . 5 1 1 A 20 20 VAL HA H 20 3.642 3.849 -0.207 1
1 148 . 5 1 1 A 20 20 VAL N N 20 118.839 117.545 1.294 1
1 149 . 5 1 1 A 21 21 MET H H 21 8.366 8.154 0.212 1
1 150 . 5 1 1 A 21 21 MET HA H 21 4.100 4.289 -0.189 1
1 155 . 5 1 1 A 21 21 MET N N 21 119.506 120.270 -0.764 1
1 156 . 5 1 1 A 22 22 VAL H H 22 8.401 7.800 0.601 1
1 157 . 5 1 1 A 22 22 VAL HA H 22 3.437 3.525 -0.088 1
1 165 . 5 1 1 A 22 22 VAL N N 22 120.943 120.105 0.838 1
1 166 . 5 1 1 A 23 23 GLU H H 23 8.529 8.971 -0.442 1
1 167 . 5 1 1 A 23 23 GLU HA H 23 4.123 4.250 -0.127 1
1 172 . 5 1 1 A 23 23 GLU N N 23 119.294 118.666 0.628 1
1 173 . 5 1 1 A 24 24 GLY H H 24 9.007 7.985 1.022 1
1 174 . 5 1 1 A 24 24 GLY HA2 H 24 3.883 3.636 0.247 1
1 175 . 5 1 1 A 24 24 GLY HA3 H 24 3.946 3.652 0.294 1
1 176 . 5 1 1 A 24 24 GLY N N 24 106.427 109.093 -2.666 1
1 177 . 5 1 1 A 25 25 HIS H H 25 8.426 7.751 0.675 1
1 178 . 5 1 1 A 25 25 HIS HA H 25 4.277 3.994 0.283 1
1 183 . 5 1 1 A 25 25 HIS N N 25 121.686 121.721 -0.035 1
1 184 . 5 1 1 A 26 26 TRP H H 26 8.346 7.901 0.445 1
1 185 . 5 1 1 A 26 26 TRP HA H 26 4.356 4.394 -0.038 1
1 194 . 5 1 1 A 26 26 TRP N N 26 120.264 117.085 3.179 1
1 195 . 5 1 1 A 27 27 GLU H H 27 8.899 8.040 0.859 1
1 196 . 5 1 1 A 27 27 GLU HA H 27 4.084 4.205 -0.121 1
1 201 . 5 1 1 A 27 27 GLU N N 27 118.741 120.987 -2.246 1
1 202 . 5 1 1 A 28 28 THR H H 28 7.927 7.500 0.427 1
1 203 . 5 1 1 A 28 28 THR HA H 28 4.298 4.036 0.262 1
1 208 . 5 1 1 A 28 28 THR N N 28 115.172 115.873 -0.701 1
1 209 . 5 1 1 A 29 29 VAL H H 29 7.889 7.864 0.025 1
1 210 . 5 1 1 A 29 29 VAL HA H 29 3.493 3.836 -0.343 1
1 218 . 5 1 1 A 29 29 VAL N N 29 121.045 118.538 2.507 1
1 219 . 5 1 1 A 30 30 GLY H H 30 8.443 8.553 -0.110 1
1 220 . 5 1 1 A 30 30 GLY HA2 H 30 3.833 4.039 -0.206 1
1 221 . 5 1 1 A 30 30 GLY HA3 H 30 3.797 4.077 -0.280 1
1 222 . 5 1 1 A 30 30 GLY N N 30 106.495 110.814 -4.319 1
1 223 . 5 1 1 A 31 31 MET H H 31 8.355 8.091 0.264 1
1 224 . 5 1 1 A 31 31 MET HA H 31 4.246 4.598 -0.352 1
1 229 . 5 1 1 A 31 31 MET N N 31 120.733 118.491 2.242 1
1 230 . 5 1 1 A 32 32 LEU H H 32 8.353 7.808 0.545 1
1 231 . 5 1 1 A 32 32 LEU HA H 32 4.092 3.993 0.099 1
1 241 . 5 1 1 A 32 32 LEU N N 32 122.587 117.489 5.098 1
1 242 . 5 1 1 A 33 33 PHE H H 33 8.723 9.071 -0.348 1
1 243 . 5 1 1 A 33 33 PHE HA H 33 4.198 4.038 0.160 1
1 248 . 5 1 1 A 33 33 PHE N N 33 119.435 121.393 -1.958 1
1 249 . 5 1 1 A 34 34 ASP H H 34 8.824 7.910 0.914 1
1 250 . 5 1 1 A 34 34 ASP HA H 34 4.475 4.178 0.297 1
1 253 . 5 1 1 A 34 34 ASP N N 34 117.868 119.594 -1.726 1
1 254 . 5 1 1 A 35 35 SER H H 35 8.311 7.869 0.442 1
1 255 . 5 1 1 A 35 35 SER HA H 35 4.149 4.342 -0.193 1
1 258 . 5 1 1 A 35 35 SER N N 35 115.581 115.353 0.228 1
1 259 . 5 1 1 A 36 36 LEU H H 36 8.397 7.935 0.462 1
1 260 . 5 1 1 A 36 36 LEU HA H 36 4.164 4.582 -0.418 1
1 270 . 5 1 1 A 36 36 LEU N N 36 122.970 115.238 7.732 1
1 271 . 5 1 1 A 37 37 GLY H H 37 8.658 8.040 0.618 1
1 272 . 5 1 1 A 37 37 GLY HA2 H 37 3.794 3.084 0.710 1
1 273 . 5 1 1 A 37 37 GLY HA3 H 37 3.794 3.853 -0.059 1
1 274 . 5 1 1 A 37 37 GLY N N 37 109.305 107.845 1.460 1
1 275 . 5 1 1 A 38 38 LYS H H 38 8.338 7.711 0.627 1
1 276 . 5 1 1 A 38 38 LYS HA H 38 4.003 4.424 -0.421 1
1 285 . 5 1 1 A 38 38 LYS N N 38 121.644 118.799 2.845 1
1 286 . 5 1 1 A 39 39 GLY H H 39 8.525 8.367 0.158 1
1 287 . 5 1 1 A 39 39 GLY HA2 H 39 3.862 3.904 -0.042 1
1 288 . 5 1 1 A 39 39 GLY HA3 H 39 3.789 3.907 -0.118 1
1 289 . 5 1 1 A 39 39 GLY N N 39 106.016 107.512 -1.496 1
1 290 . 5 1 1 A 40 40 THR H H 40 8.171 7.775 0.396 1
1 291 . 5 1 1 A 40 40 THR HA H 40 4.313 4.591 -0.278 1
1 296 . 5 1 1 A 40 40 THR N N 40 117.245 113.776 3.469 1
1 297 . 5 1 1 A 41 41 MET H H 41 8.097 7.766 0.331 1
1 298 . 5 1 1 A 41 41 MET HA H 41 4.167 3.931 0.236 1
1 303 . 5 1 1 A 41 41 MET N N 41 120.857 121.712 -0.855 1
1 304 . 5 1 1 A 42 42 ARG H H 42 8.193 8.118 0.075 1
1 305 . 5 1 1 A 42 42 ARG HA H 42 3.924 4.087 -0.163 1
1 313 . 5 1 1 A 42 42 ARG N N 42 119.314 119.714 -0.400 1
1 315 . 5 1 1 A 43 43 ILE H H 43 8.166 8.157 0.009 1
1 316 . 5 1 1 A 43 43 ILE HA H 43 3.718 3.735 -0.017 1
1 326 . 5 1 1 A 43 43 ILE N N 43 119.185 119.644 -0.459 1
1 327 . 5 1 1 A 44 44 ASN H H 44 8.151 8.436 -0.285 1
1 328 . 5 1 1 A 44 44 ASN HA H 44 4.457 4.515 -0.058 1
1 333 . 5 1 1 A 44 44 ASN N N 44 118.343 118.646 -0.303 1
1 335 . 5 1 1 A 45 45 ARG H H 45 8.550 8.137 0.413 1
1 336 . 5 1 1 A 45 45 ARG HA H 45 4.049 4.105 -0.056 1
1 344 . 5 1 1 A 45 45 ARG N N 45 119.370 120.098 -0.728 1
1 346 . 5 1 1 A 46 46 ASN H H 46 8.363 8.417 -0.054 1
1 347 . 5 1 1 A 46 46 ASN HA H 46 4.506 4.490 0.016 1
1 352 . 5 1 1 A 46 46 ASN N N 46 118.424 118.111 0.313 1
1 354 . 5 1 1 A 47 47 ALA H H 47 8.645 8.189 0.456 1
1 355 . 5 1 1 A 47 47 ALA HA H 47 4.089 4.108 -0.019 1
1 359 . 5 1 1 A 47 47 ALA N N 47 124.193 123.297 0.896 1
1 360 . 5 1 1 A 48 48 TYR H H 48 8.360 8.491 -0.131 1
1 361 . 5 1 1 A 48 48 TYR HA H 48 4.212 4.297 -0.085 1
1 368 . 5 1 1 A 48 48 TYR N N 48 117.771 118.451 -0.680 1
1 369 . 5 1 1 A 49 49 GLY H H 49 8.614 8.197 0.417 1
1 370 . 5 1 1 A 49 49 GLY HA2 H 49 3.860 4.015 -0.155 1
1 371 . 5 1 1 A 49 49 GLY HA3 H 49 3.860 4.035 -0.175 1
1 372 . 5 1 1 A 49 49 GLY N N 49 105.737 107.538 -1.801 1
1 373 . 5 1 1 A 50 50 SER H H 50 8.109 7.881 0.228 1
1 374 . 5 1 1 A 50 50 SER HA H 50 4.304 4.782 -0.478 1
1 377 . 5 1 1 A 50 50 SER N N 50 116.031 115.424 0.607 1
1 378 . 5 1 1 A 51 51 MET H H 51 7.911 8.788 -0.877 1
1 379 . 5 1 1 A 51 51 MET HA H 51 4.380 4.398 -0.018 1
1 384 . 5 1 1 A 51 51 MET N N 51 119.528 120.262 -0.734 1
1 385 . 5 1 1 A 52 52 GLY H H 52 8.235 7.880 0.355 1
1 386 . 5 1 1 A 52 52 GLY HA2 H 52 3.863 2.435 1.428 1
1 387 . 5 1 1 A 52 52 GLY HA3 H 52 3.863 3.429 0.434 1
1 388 . 5 1 1 A 52 52 GLY N N 52 106.413 106.412 0.001 1
1 389 . 5 1 1 A 53 53 GLY H H 53 8.239 7.508 0.731 1
1 390 . 5 1 1 A 53 53 GLY HA2 H 53 3.706 4.065 -0.359 1
1 391 . 5 1 1 A 53 53 GLY HA3 H 53 3.706 4.078 -0.372 1
1 392 . 5 1 1 A 53 53 GLY N N 53 107.655 106.540 1.115 1
1 393 . 5 1 1 A 54 54 GLY H H 54 8.200 8.033 0.167 1
1 394 . 5 1 1 A 54 54 GLY HA2 H 54 3.889 4.115 -0.226 1
1 395 . 5 1 1 A 54 54 GLY HA3 H 54 3.828 4.119 -0.291 1
1 396 . 5 1 1 A 54 54 GLY N N 54 107.173 108.386 -1.213 1
1 397 . 5 1 1 A 55 55 SER H H 55 7.995 7.558 0.437 1
1 398 . 5 1 1 A 55 55 SER HA H 55 4.300 4.294 0.006 1
1 401 . 5 1 1 A 55 55 SER N N 55 115.203 118.905 -3.702 1
1 402 . 5 1 1 A 56 56 LEU H H 56 7.827 7.574 0.253 1
1 403 . 5 1 1 A 56 56 LEU HA H 56 4.297 4.251 0.046 1
1 413 . 5 1 1 A 56 56 LEU N N 56 120.264 118.122 2.142 1
1 414 . 5 1 1 A 57 57 ARG H H 57 7.792 7.685 0.107 1
1 415 . 5 1 1 A 57 57 ARG HA H 57 4.290 4.228 0.062 1
1 423 . 5 1 1 A 57 57 ARG N N 57 116.558 118.154 -1.596 1
1 425 . 5 1 1 A 58 58 GLY H H 58 8.062 8.006 0.056 1
1 426 . 5 1 1 A 58 58 GLY HA2 H 58 3.972 4.012 -0.040 1
1 427 . 5 1 1 A 58 58 GLY HA3 H 58 3.941 4.012 -0.071 1
1 428 . 5 1 1 A 58 58 GLY N N 58 106.017 109.434 -3.417 1
1 9 . 6 1 1 A 2 2 SER H H 2 8.739 8.764 -0.025 1
1 10 . 6 1 1 A 2 2 SER HA H 2 4.503 4.183 0.320 1
1 13 . 6 1 1 A 2 2 SER N N 2 116.858 115.568 1.290 1
1 14 . 6 1 1 A 3 3 GLY H H 3 8.847 7.891 0.956 1
1 15 . 6 1 1 A 3 3 GLY HA2 H 3 3.952 4.110 -0.158 1
1 16 . 6 1 1 A 3 3 GLY HA3 H 3 3.889 4.110 -0.221 1
1 17 . 6 1 1 A 3 3 GLY N N 3 109.347 107.501 1.846 1
1 18 . 6 1 1 A 4 4 GLY H H 4 8.506 8.020 0.486 1
1 19 . 6 1 1 A 4 4 GLY HA2 H 4 3.950 3.886 0.064 1
1 20 . 6 1 1 A 4 4 GLY HA3 H 4 3.894 3.934 -0.040 1
1 21 . 6 1 1 A 4 4 GLY N N 4 106.797 109.018 -2.221 1
1 22 . 6 1 1 A 5 5 GLY H H 5 8.385 8.645 -0.260 1
1 23 . 6 1 1 A 5 5 GLY HA2 H 5 3.888 3.909 -0.021 1
1 24 . 6 1 1 A 5 5 GLY HA3 H 5 3.888 3.923 -0.035 1
1 25 . 6 1 1 A 5 5 GLY N N 5 109.554 106.161 3.393 1
1 26 . 6 1 1 A 6 6 VAL H H 6 7.972 8.445 -0.473 1
1 27 . 6 1 1 A 6 6 VAL HA H 6 3.752 3.833 -0.081 1
1 35 . 6 1 1 A 6 6 VAL N N 6 120.821 114.859 5.962 1
1 36 . 6 1 1 A 7 7 PHE H H 7 7.978 8.274 -0.296 1
1 37 . 6 1 1 A 7 7 PHE HA H 7 4.287 4.240 0.047 1
1 43 . 6 1 1 A 7 7 PHE N N 7 117.926 123.099 -5.173 1
1 44 . 6 1 1 A 8 8 THR H H 8 7.871 8.701 -0.830 1
1 45 . 6 1 1 A 8 8 THR HA H 8 4.295 4.107 0.188 1
1 50 . 6 1 1 A 8 8 THR N N 8 113.783 114.772 -0.989 1
1 51 . 6 1 1 A 9 9 ASP H H 9 8.020 8.200 -0.180 1
1 52 . 6 1 1 A 9 9 ASP HA H 9 4.404 4.386 0.018 1
1 55 . 6 1 1 A 9 9 ASP N N 9 120.056 120.571 -0.515 1
1 56 . 6 1 1 A 10 10 ILE H H 10 8.106 8.022 0.084 1
1 57 . 6 1 1 A 10 10 ILE HA H 10 3.691 3.684 0.007 1
1 67 . 6 1 1 A 10 10 ILE N N 10 120.413 119.743 0.670 1
1 68 . 6 1 1 A 11 11 LEU H H 11 7.970 7.735 0.235 1
1 69 . 6 1 1 A 11 11 LEU HA H 11 3.977 4.030 -0.053 1
1 79 . 6 1 1 A 11 11 LEU N N 11 119.889 121.802 -1.913 1
1 80 . 6 1 1 A 12 12 ALA H H 12 8.492 8.635 -0.143 1
1 81 . 6 1 1 A 12 12 ALA HA H 12 4.091 4.013 0.078 1
1 85 . 6 1 1 A 12 12 ALA N N 12 120.843 122.175 -1.332 1
1 86 . 6 1 1 A 13 13 ALA H H 13 8.150 8.930 -0.780 1
1 87 . 6 1 1 A 13 13 ALA HA H 13 4.044 4.065 -0.021 1
1 91 . 6 1 1 A 13 13 ALA N N 13 120.771 119.992 0.779 1
1 92 . 6 1 1 A 14 14 ALA H H 14 8.595 8.158 0.437 1
1 93 . 6 1 1 A 14 14 ALA HA H 14 4.042 4.030 0.012 1
1 97 . 6 1 1 A 14 14 ALA N N 14 119.961 120.271 -0.310 1
1 98 . 6 1 1 A 15 15 GLY H H 15 8.561 8.462 0.099 1
1 99 . 6 1 1 A 15 15 GLY HA2 H 15 3.910 3.759 0.151 1
1 100 . 6 1 1 A 15 15 GLY HA3 H 15 3.849 3.772 0.077 1
1 101 . 6 1 1 A 15 15 GLY N N 15 104.854 106.733 -1.879 1
1 102 . 6 1 1 A 16 16 ARG H H 16 8.102 8.126 -0.024 1
1 103 . 6 1 1 A 16 16 ARG HA H 16 4.181 4.116 0.065 1
1 109 . 6 1 1 A 16 16 ARG N N 16 121.532 121.917 -0.385 1
1 111 . 6 1 1 A 17 17 ILE H H 17 8.247 8.591 -0.344 1
1 112 . 6 1 1 A 17 17 ILE HA H 17 3.633 3.660 -0.027 1
1 122 . 6 1 1 A 17 17 ILE N N 17 119.201 120.522 -1.321 1
1 123 . 6 1 1 A 18 18 PHE H H 18 8.398 9.184 -0.786 1
1 124 . 6 1 1 A 18 18 PHE HA H 18 4.218 3.976 0.242 1
1 131 . 6 1 1 A 18 18 PHE N N 18 119.810 120.755 -0.945 1
1 132 . 6 1 1 A 19 19 GLU H H 19 8.311 8.466 -0.155 1
1 133 . 6 1 1 A 19 19 GLU HA H 19 3.827 3.978 -0.151 1
1 138 . 6 1 1 A 19 19 GLU N N 19 116.913 117.880 -0.967 1
1 139 . 6 1 1 A 20 20 VAL H H 20 8.188 8.456 -0.268 1
1 140 . 6 1 1 A 20 20 VAL HA H 20 3.642 3.827 -0.185 1
1 148 . 6 1 1 A 20 20 VAL N N 20 118.839 116.995 1.844 1
1 149 . 6 1 1 A 21 21 MET H H 21 8.366 8.220 0.146 1
1 150 . 6 1 1 A 21 21 MET HA H 21 4.100 4.309 -0.209 1
1 155 . 6 1 1 A 21 21 MET N N 21 119.506 120.154 -0.648 1
1 156 . 6 1 1 A 22 22 VAL H H 22 8.401 7.880 0.521 1
1 157 . 6 1 1 A 22 22 VAL HA H 22 3.437 3.493 -0.056 1
1 165 . 6 1 1 A 22 22 VAL N N 22 120.943 120.224 0.719 1
1 166 . 6 1 1 A 23 23 GLU H H 23 8.529 8.867 -0.338 1
1 167 . 6 1 1 A 23 23 GLU HA H 23 4.123 4.185 -0.062 1
1 172 . 6 1 1 A 23 23 GLU N N 23 119.294 118.489 0.805 1
1 173 . 6 1 1 A 24 24 GLY H H 24 9.007 8.042 0.965 1
1 174 . 6 1 1 A 24 24 GLY HA2 H 24 3.883 3.661 0.222 1
1 175 . 6 1 1 A 24 24 GLY HA3 H 24 3.946 3.672 0.274 1
1 176 . 6 1 1 A 24 24 GLY N N 24 106.427 109.451 -3.024 1
1 177 . 6 1 1 A 25 25 HIS H H 25 8.426 7.800 0.626 1
1 178 . 6 1 1 A 25 25 HIS HA H 25 4.277 4.040 0.237 1
1 183 . 6 1 1 A 25 25 HIS N N 25 121.686 121.582 0.104 1
1 184 . 6 1 1 A 26 26 TRP H H 26 8.346 8.333 0.013 1
1 185 . 6 1 1 A 26 26 TRP HA H 26 4.356 4.340 0.016 1
1 194 . 6 1 1 A 26 26 TRP N N 26 120.264 118.191 2.073 1
1 195 . 6 1 1 A 27 27 GLU H H 27 8.899 8.203 0.696 1
1 196 . 6 1 1 A 27 27 GLU HA H 27 4.084 4.240 -0.156 1
1 201 . 6 1 1 A 27 27 GLU N N 27 118.741 120.891 -2.150 1
1 202 . 6 1 1 A 28 28 THR H H 28 7.927 7.705 0.222 1
1 203 . 6 1 1 A 28 28 THR HA H 28 4.298 4.033 0.265 1
1 208 . 6 1 1 A 28 28 THR N N 28 115.172 115.043 0.129 1
1 209 . 6 1 1 A 29 29 VAL H H 29 7.889 7.429 0.460 1
1 210 . 6 1 1 A 29 29 VAL HA H 29 3.493 3.770 -0.277 1
1 218 . 6 1 1 A 29 29 VAL N N 29 121.045 118.137 2.908 1
1 219 . 6 1 1 A 30 30 GLY H H 30 8.443 8.435 0.008 1
1 220 . 6 1 1 A 30 30 GLY HA2 H 30 3.833 4.055 -0.222 1
1 221 . 6 1 1 A 30 30 GLY HA3 H 30 3.797 4.109 -0.312 1
1 222 . 6 1 1 A 30 30 GLY N N 30 106.495 111.098 -4.603 1
1 223 . 6 1 1 A 31 31 MET H H 31 8.355 8.175 0.180 1
1 224 . 6 1 1 A 31 31 MET HA H 31 4.246 4.694 -0.448 1
1 229 . 6 1 1 A 31 31 MET N N 31 120.733 116.426 4.307 1
1 230 . 6 1 1 A 32 32 LEU H H 32 8.353 7.745 0.608 1
1 231 . 6 1 1 A 32 32 LEU HA H 32 4.092 3.967 0.125 1
1 241 . 6 1 1 A 32 32 LEU N N 32 122.587 118.105 4.482 1
1 242 . 6 1 1 A 33 33 PHE H H 33 8.723 9.054 -0.331 1
1 243 . 6 1 1 A 33 33 PHE HA H 33 4.198 4.059 0.139 1
1 248 . 6 1 1 A 33 33 PHE N N 33 119.435 121.890 -2.455 1
1 249 . 6 1 1 A 34 34 ASP H H 34 8.824 7.788 1.036 1
1 250 . 6 1 1 A 34 34 ASP HA H 34 4.475 4.103 0.372 1
1 253 . 6 1 1 A 34 34 ASP N N 34 117.868 119.660 -1.792 1
1 254 . 6 1 1 A 35 35 SER H H 35 8.311 8.220 0.091 1
1 255 . 6 1 1 A 35 35 SER HA H 35 4.149 4.260 -0.111 1
1 258 . 6 1 1 A 35 35 SER N N 35 115.581 113.777 1.804 1
1 259 . 6 1 1 A 36 36 LEU H H 36 8.397 7.774 0.623 1
1 260 . 6 1 1 A 36 36 LEU HA H 36 4.164 4.627 -0.463 1
1 270 . 6 1 1 A 36 36 LEU N N 36 122.970 116.996 5.974 1
1 271 . 6 1 1 A 37 37 GLY H H 37 8.658 7.700 0.958 1
1 272 . 6 1 1 A 37 37 GLY HA2 H 37 3.794 3.383 0.411 1
1 273 . 6 1 1 A 37 37 GLY HA3 H 37 3.794 4.124 -0.330 1
1 274 . 6 1 1 A 37 37 GLY N N 37 109.305 109.130 0.175 1
1 275 . 6 1 1 A 38 38 LYS H H 38 8.338 7.567 0.771 1
1 276 . 6 1 1 A 38 38 LYS HA H 38 4.003 4.013 -0.010 1
1 285 . 6 1 1 A 38 38 LYS N N 38 121.644 122.351 -0.707 1
1 286 . 6 1 1 A 39 39 GLY H H 39 8.525 8.032 0.493 1
1 287 . 6 1 1 A 39 39 GLY HA2 H 39 3.862 3.598 0.264 1
1 288 . 6 1 1 A 39 39 GLY HA3 H 39 3.789 3.602 0.187 1
1 289 . 6 1 1 A 39 39 GLY N N 39 106.016 107.373 -1.357 1
1 290 . 6 1 1 A 40 40 THR H H 40 8.171 8.088 0.083 1
1 291 . 6 1 1 A 40 40 THR HA H 40 4.313 4.253 0.060 1
1 296 . 6 1 1 A 40 40 THR N N 40 117.245 116.612 0.633 1
1 297 . 6 1 1 A 41 41 MET H H 41 8.097 8.066 0.031 1
1 298 . 6 1 1 A 41 41 MET HA H 41 4.167 3.985 0.182 1
1 303 . 6 1 1 A 41 41 MET N N 41 120.857 120.463 0.394 1
1 304 . 6 1 1 A 42 42 ARG H H 42 8.193 8.090 0.103 1
1 305 . 6 1 1 A 42 42 ARG HA H 42 3.924 4.179 -0.255 1
1 313 . 6 1 1 A 42 42 ARG N N 42 119.314 118.987 0.327 1
1 315 . 6 1 1 A 43 43 ILE H H 43 8.166 8.159 0.007 1
1 316 . 6 1 1 A 43 43 ILE HA H 43 3.718 3.747 -0.029 1
1 326 . 6 1 1 A 43 43 ILE N N 43 119.185 119.665 -0.480 1
1 327 . 6 1 1 A 44 44 ASN H H 44 8.151 8.844 -0.693 1
1 328 . 6 1 1 A 44 44 ASN HA H 44 4.457 4.534 -0.077 1
1 333 . 6 1 1 A 44 44 ASN N N 44 118.343 120.101 -1.758 1
1 335 . 6 1 1 A 45 45 ARG H H 45 8.550 7.533 1.017 1
1 336 . 6 1 1 A 45 45 ARG HA H 45 4.049 4.007 0.042 1
1 344 . 6 1 1 A 45 45 ARG N N 45 119.370 119.796 -0.426 1
1 346 . 6 1 1 A 46 46 ASN H H 46 8.363 7.943 0.420 1
1 347 . 6 1 1 A 46 46 ASN HA H 46 4.506 4.482 0.024 1
1 352 . 6 1 1 A 46 46 ASN N N 46 118.424 117.643 0.781 1
1 354 . 6 1 1 A 47 47 ALA H H 47 8.645 8.224 0.421 1
1 355 . 6 1 1 A 47 47 ALA HA H 47 4.089 4.116 -0.027 1
1 359 . 6 1 1 A 47 47 ALA N N 47 124.193 123.211 0.982 1
1 360 . 6 1 1 A 48 48 TYR H H 48 8.360 9.183 -0.823 1
1 361 . 6 1 1 A 48 48 TYR HA H 48 4.212 4.433 -0.221 1
1 368 . 6 1 1 A 48 48 TYR N N 48 117.771 117.046 0.725 1
1 369 . 6 1 1 A 49 49 GLY H H 49 8.614 8.133 0.481 1
1 370 . 6 1 1 A 49 49 GLY HA2 H 49 3.860 4.016 -0.156 1
1 371 . 6 1 1 A 49 49 GLY HA3 H 49 3.860 4.033 -0.173 1
1 372 . 6 1 1 A 49 49 GLY N N 49 105.737 108.104 -2.367 1
1 373 . 6 1 1 A 50 50 SER H H 50 8.109 7.953 0.156 1
1 374 . 6 1 1 A 50 50 SER HA H 50 4.304 4.764 -0.460 1
1 377 . 6 1 1 A 50 50 SER N N 50 116.031 115.324 0.707 1
1 378 . 6 1 1 A 51 51 MET H H 51 7.911 8.642 -0.731 1
1 379 . 6 1 1 A 51 51 MET HA H 51 4.380 4.439 -0.059 1
1 384 . 6 1 1 A 51 51 MET N N 51 119.528 120.040 -0.512 1
1 385 . 6 1 1 A 52 52 GLY H H 52 8.235 7.801 0.434 1
1 386 . 6 1 1 A 52 52 GLY HA2 H 52 3.863 2.458 1.405 1
1 387 . 6 1 1 A 52 52 GLY HA3 H 52 3.863 3.496 0.367 1
1 388 . 6 1 1 A 52 52 GLY N N 52 106.413 106.290 0.123 1
1 389 . 6 1 1 A 53 53 GLY H H 53 8.239 7.936 0.303 1
1 390 . 6 1 1 A 53 53 GLY HA2 H 53 3.706 3.997 -0.291 1
1 391 . 6 1 1 A 53 53 GLY HA3 H 53 3.706 4.004 -0.298 1
1 392 . 6 1 1 A 53 53 GLY N N 53 107.655 107.622 0.033 1
1 393 . 6 1 1 A 54 54 GLY H H 54 8.200 8.073 0.127 1
1 394 . 6 1 1 A 54 54 GLY HA2 H 54 3.889 4.087 -0.198 1
1 395 . 6 1 1 A 54 54 GLY HA3 H 54 3.828 4.092 -0.264 1
1 396 . 6 1 1 A 54 54 GLY N N 54 107.173 107.330 -0.157 1
1 397 . 6 1 1 A 55 55 SER H H 55 7.995 7.518 0.477 1
1 398 . 6 1 1 A 55 55 SER HA H 55 4.300 4.540 -0.240 1
1 401 . 6 1 1 A 55 55 SER N N 55 115.203 116.429 -1.226 1
1 402 . 6 1 1 A 56 56 LEU H H 56 7.827 8.127 -0.300 1
1 403 . 6 1 1 A 56 56 LEU HA H 56 4.297 3.976 0.321 1
1 413 . 6 1 1 A 56 56 LEU N N 56 120.264 118.472 1.792 1
1 414 . 6 1 1 A 57 57 ARG H H 57 7.792 8.367 -0.575 1
1 415 . 6 1 1 A 57 57 ARG HA H 57 4.290 3.968 0.322 1
1 423 . 6 1 1 A 57 57 ARG N N 57 116.558 118.139 -1.581 1
1 425 . 6 1 1 A 58 58 GLY H H 58 8.062 7.967 0.095 1
1 426 . 6 1 1 A 58 58 GLY HA2 H 58 3.972 3.997 -0.025 1
1 427 . 6 1 1 A 58 58 GLY HA3 H 58 3.941 4.000 -0.059 1
1 428 . 6 1 1 A 58 58 GLY N N 58 106.017 108.921 -2.904 1
1 9 . 7 1 1 A 2 2 SER H H 2 8.739 8.090 0.649 1
1 10 . 7 1 1 A 2 2 SER HA H 2 4.503 4.150 0.353 1
1 13 . 7 1 1 A 2 2 SER N N 2 116.858 113.083 3.775 1
1 14 . 7 1 1 A 3 3 GLY H H 3 8.847 8.172 0.675 1
1 15 . 7 1 1 A 3 3 GLY HA2 H 3 3.952 4.176 -0.224 1
1 16 . 7 1 1 A 3 3 GLY HA3 H 3 3.889 4.187 -0.298 1
1 17 . 7 1 1 A 3 3 GLY N N 3 109.347 107.968 1.379 1
1 18 . 7 1 1 A 4 4 GLY H H 4 8.506 7.932 0.574 1
1 19 . 7 1 1 A 4 4 GLY HA2 H 4 3.950 3.969 -0.019 1
1 20 . 7 1 1 A 4 4 GLY HA3 H 4 3.894 4.003 -0.109 1
1 21 . 7 1 1 A 4 4 GLY N N 4 106.797 108.490 -1.693 1
1 22 . 7 1 1 A 5 5 GLY H H 5 8.385 8.135 0.250 1
1 23 . 7 1 1 A 5 5 GLY HA2 H 5 3.888 3.823 0.065 1
1 24 . 7 1 1 A 5 5 GLY HA3 H 5 3.888 3.828 0.060 1
1 25 . 7 1 1 A 5 5 GLY N N 5 109.554 109.780 -0.226 1
1 26 . 7 1 1 A 6 6 VAL H H 6 7.972 8.214 -0.242 1
1 27 . 7 1 1 A 6 6 VAL HA H 6 3.752 3.932 -0.180 1
1 35 . 7 1 1 A 6 6 VAL N N 6 120.821 121.744 -0.923 1
1 36 . 7 1 1 A 7 7 PHE H H 7 7.978 8.466 -0.488 1
1 37 . 7 1 1 A 7 7 PHE HA H 7 4.287 4.069 0.218 1
1 43 . 7 1 1 A 7 7 PHE N N 7 117.926 122.272 -4.346 1
1 44 . 7 1 1 A 8 8 THR H H 8 7.871 8.579 -0.708 1
1 45 . 7 1 1 A 8 8 THR HA H 8 4.295 4.159 0.136 1
1 50 . 7 1 1 A 8 8 THR N N 8 113.783 115.060 -1.277 1
1 51 . 7 1 1 A 9 9 ASP H H 9 8.020 7.747 0.273 1
1 52 . 7 1 1 A 9 9 ASP HA H 9 4.404 4.370 0.034 1
1 55 . 7 1 1 A 9 9 ASP N N 9 120.056 121.309 -1.253 1
1 56 . 7 1 1 A 10 10 ILE H H 10 8.106 7.688 0.418 1
1 57 . 7 1 1 A 10 10 ILE HA H 10 3.691 3.616 0.075 1
1 67 . 7 1 1 A 10 10 ILE N N 10 120.413 120.327 0.086 1
1 68 . 7 1 1 A 11 11 LEU H H 11 7.970 8.108 -0.138 1
1 69 . 7 1 1 A 11 11 LEU HA H 11 3.977 3.979 -0.002 1
1 79 . 7 1 1 A 11 11 LEU N N 11 119.889 119.166 0.723 1
1 80 . 7 1 1 A 12 12 ALA H H 12 8.492 8.658 -0.166 1
1 81 . 7 1 1 A 12 12 ALA HA H 12 4.091 4.005 0.086 1
1 85 . 7 1 1 A 12 12 ALA N N 12 120.843 122.050 -1.207 1
1 86 . 7 1 1 A 13 13 ALA H H 13 8.150 8.517 -0.367 1
1 87 . 7 1 1 A 13 13 ALA HA H 13 4.044 4.085 -0.041 1
1 91 . 7 1 1 A 13 13 ALA N N 13 120.771 119.914 0.857 1
1 92 . 7 1 1 A 14 14 ALA H H 14 8.595 8.718 -0.123 1
1 93 . 7 1 1 A 14 14 ALA HA H 14 4.042 4.013 0.029 1
1 97 . 7 1 1 A 14 14 ALA N N 14 119.961 120.092 -0.131 1
1 98 . 7 1 1 A 15 15 GLY H H 15 8.561 8.570 -0.009 1
1 99 . 7 1 1 A 15 15 GLY HA2 H 15 3.910 3.853 0.057 1
1 100 . 7 1 1 A 15 15 GLY HA3 H 15 3.849 3.857 -0.008 1
1 101 . 7 1 1 A 15 15 GLY N N 15 104.854 106.378 -1.524 1
1 102 . 7 1 1 A 16 16 ARG H H 16 8.102 8.113 -0.011 1
1 103 . 7 1 1 A 16 16 ARG HA H 16 4.181 4.082 0.099 1
1 109 . 7 1 1 A 16 16 ARG N N 16 121.532 121.957 -0.425 1
1 111 . 7 1 1 A 17 17 ILE H H 17 8.247 8.622 -0.375 1
1 112 . 7 1 1 A 17 17 ILE HA H 17 3.633 3.671 -0.038 1
1 122 . 7 1 1 A 17 17 ILE N N 17 119.201 120.490 -1.289 1
1 123 . 7 1 1 A 18 18 PHE H H 18 8.398 9.134 -0.736 1
1 124 . 7 1 1 A 18 18 PHE HA H 18 4.218 4.033 0.185 1
1 131 . 7 1 1 A 18 18 PHE N N 18 119.810 120.305 -0.495 1
1 132 . 7 1 1 A 19 19 GLU H H 19 8.311 8.518 -0.207 1
1 133 . 7 1 1 A 19 19 GLU HA H 19 3.827 4.030 -0.203 1
1 138 . 7 1 1 A 19 19 GLU N N 19 116.913 117.814 -0.901 1
1 139 . 7 1 1 A 20 20 VAL H H 20 8.188 8.051 0.137 1
1 140 . 7 1 1 A 20 20 VAL HA H 20 3.642 4.087 -0.445 1
1 148 . 7 1 1 A 20 20 VAL N N 20 118.839 116.679 2.160 1
1 149 . 7 1 1 A 21 21 MET H H 21 8.366 8.290 0.076 1
1 150 . 7 1 1 A 21 21 MET HA H 21 4.100 4.309 -0.209 1
1 155 . 7 1 1 A 21 21 MET N N 21 119.506 120.206 -0.700 1
1 156 . 7 1 1 A 22 22 VAL H H 22 8.401 7.871 0.530 1
1 157 . 7 1 1 A 22 22 VAL HA H 22 3.437 3.588 -0.151 1
1 165 . 7 1 1 A 22 22 VAL N N 22 120.943 120.301 0.642 1
1 166 . 7 1 1 A 23 23 GLU H H 23 8.529 8.716 -0.187 1
1 167 . 7 1 1 A 23 23 GLU HA H 23 4.123 4.169 -0.046 1
1 172 . 7 1 1 A 23 23 GLU N N 23 119.294 119.794 -0.500 1
1 173 . 7 1 1 A 24 24 GLY H H 24 9.007 8.137 0.870 1
1 174 . 7 1 1 A 24 24 GLY HA2 H 24 3.883 3.635 0.248 1
1 175 . 7 1 1 A 24 24 GLY HA3 H 24 3.946 3.646 0.300 1
1 176 . 7 1 1 A 24 24 GLY N N 24 106.427 108.941 -2.514 1
1 177 . 7 1 1 A 25 25 HIS H H 25 8.426 7.771 0.655 1
1 178 . 7 1 1 A 25 25 HIS HA H 25 4.277 4.010 0.267 1
1 183 . 7 1 1 A 25 25 HIS N N 25 121.686 121.573 0.113 1
1 184 . 7 1 1 A 26 26 TRP H H 26 8.346 8.037 0.309 1
1 185 . 7 1 1 A 26 26 TRP HA H 26 4.356 4.327 0.029 1
1 194 . 7 1 1 A 26 26 TRP N N 26 120.264 118.089 2.175 1
1 195 . 7 1 1 A 27 27 GLU H H 27 8.899 7.964 0.935 1
1 196 . 7 1 1 A 27 27 GLU HA H 27 4.084 4.217 -0.133 1
1 201 . 7 1 1 A 27 27 GLU N N 27 118.741 120.898 -2.157 1
1 202 . 7 1 1 A 28 28 THR H H 28 7.927 8.042 -0.115 1
1 203 . 7 1 1 A 28 28 THR HA H 28 4.298 4.019 0.279 1
1 208 . 7 1 1 A 28 28 THR N N 28 115.172 119.232 -4.060 1
1 209 . 7 1 1 A 29 29 VAL H H 29 7.889 7.413 0.476 1
1 210 . 7 1 1 A 29 29 VAL HA H 29 3.493 3.734 -0.241 1
1 218 . 7 1 1 A 29 29 VAL N N 29 121.045 119.119 1.926 1
1 219 . 7 1 1 A 30 30 GLY H H 30 8.443 8.378 0.065 1
1 220 . 7 1 1 A 30 30 GLY HA2 H 30 3.833 4.080 -0.247 1
1 221 . 7 1 1 A 30 30 GLY HA3 H 30 3.797 4.158 -0.361 1
1 222 . 7 1 1 A 30 30 GLY N N 30 106.495 111.143 -4.648 1
1 223 . 7 1 1 A 31 31 MET H H 31 8.355 7.901 0.454 1
1 224 . 7 1 1 A 31 31 MET HA H 31 4.246 4.706 -0.460 1
1 229 . 7 1 1 A 31 31 MET N N 31 120.733 116.237 4.496 1
1 230 . 7 1 1 A 32 32 LEU H H 32 8.353 7.968 0.385 1
1 231 . 7 1 1 A 32 32 LEU HA H 32 4.092 3.974 0.118 1
1 241 . 7 1 1 A 32 32 LEU N N 32 122.587 118.107 4.480 1
1 242 . 7 1 1 A 33 33 PHE H H 33 8.723 8.940 -0.217 1
1 243 . 7 1 1 A 33 33 PHE HA H 33 4.198 4.060 0.138 1
1 248 . 7 1 1 A 33 33 PHE N N 33 119.435 121.753 -2.318 1
1 249 . 7 1 1 A 34 34 ASP H H 34 8.824 8.307 0.517 1
1 250 . 7 1 1 A 34 34 ASP HA H 34 4.475 3.992 0.483 1
1 253 . 7 1 1 A 34 34 ASP N N 34 117.868 119.606 -1.738 1
1 254 . 7 1 1 A 35 35 SER H H 35 8.311 8.263 0.048 1
1 255 . 7 1 1 A 35 35 SER HA H 35 4.149 4.226 -0.077 1
1 258 . 7 1 1 A 35 35 SER N N 35 115.581 116.101 -0.520 1
1 259 . 7 1 1 A 36 36 LEU H H 36 8.397 7.431 0.966 1
1 260 . 7 1 1 A 36 36 LEU HA H 36 4.164 4.664 -0.500 1
1 270 . 7 1 1 A 36 36 LEU N N 36 122.970 115.443 7.527 1
1 271 . 7 1 1 A 37 37 GLY H H 37 8.658 7.934 0.724 1
1 272 . 7 1 1 A 37 37 GLY HA2 H 37 3.794 3.443 0.351 1
1 273 . 7 1 1 A 37 37 GLY HA3 H 37 3.794 3.977 -0.183 1
1 274 . 7 1 1 A 37 37 GLY N N 37 109.305 109.473 -0.168 1
1 275 . 7 1 1 A 38 38 LYS H H 38 8.338 7.566 0.772 1
1 276 . 7 1 1 A 38 38 LYS HA H 38 4.003 4.014 -0.011 1
1 285 . 7 1 1 A 38 38 LYS N N 38 121.644 122.078 -0.434 1
1 286 . 7 1 1 A 39 39 GLY H H 39 8.525 8.045 0.480 1
1 287 . 7 1 1 A 39 39 GLY HA2 H 39 3.862 3.637 0.225 1
1 288 . 7 1 1 A 39 39 GLY HA3 H 39 3.789 3.638 0.151 1
1 289 . 7 1 1 A 39 39 GLY N N 39 106.016 107.205 -1.189 1
1 290 . 7 1 1 A 40 40 THR H H 40 8.171 8.017 0.154 1
1 291 . 7 1 1 A 40 40 THR HA H 40 4.313 4.048 0.265 1
1 296 . 7 1 1 A 40 40 THR N N 40 117.245 116.690 0.555 1
1 297 . 7 1 1 A 41 41 MET H H 41 8.097 8.043 0.054 1
1 298 . 7 1 1 A 41 41 MET HA H 41 4.167 3.994 0.173 1
1 303 . 7 1 1 A 41 41 MET N N 41 120.857 119.710 1.147 1
1 304 . 7 1 1 A 42 42 ARG H H 42 8.193 7.901 0.292 1
1 305 . 7 1 1 A 42 42 ARG HA H 42 3.924 4.160 -0.236 1
1 313 . 7 1 1 A 42 42 ARG N N 42 119.314 120.487 -1.173 1
1 315 . 7 1 1 A 43 43 ILE H H 43 8.166 8.187 -0.021 1
1 316 . 7 1 1 A 43 43 ILE HA H 43 3.718 3.560 0.158 1
1 326 . 7 1 1 A 43 43 ILE N N 43 119.185 119.750 -0.565 1
1 327 . 7 1 1 A 44 44 ASN H H 44 8.151 8.484 -0.333 1
1 328 . 7 1 1 A 44 44 ASN HA H 44 4.457 4.555 -0.098 1
1 333 . 7 1 1 A 44 44 ASN N N 44 118.343 118.482 -0.139 1
1 335 . 7 1 1 A 45 45 ARG H H 45 8.550 8.362 0.188 1
1 336 . 7 1 1 A 45 45 ARG HA H 45 4.049 4.016 0.033 1
1 344 . 7 1 1 A 45 45 ARG N N 45 119.370 120.433 -1.063 1
1 346 . 7 1 1 A 46 46 ASN H H 46 8.363 8.331 0.032 1
1 347 . 7 1 1 A 46 46 ASN HA H 46 4.506 4.476 0.030 1
1 352 . 7 1 1 A 46 46 ASN N N 46 118.424 117.805 0.619 1
1 354 . 7 1 1 A 47 47 ALA H H 47 8.645 8.224 0.421 1
1 355 . 7 1 1 A 47 47 ALA HA H 47 4.089 4.120 -0.031 1
1 359 . 7 1 1 A 47 47 ALA N N 47 124.193 123.291 0.902 1
1 360 . 7 1 1 A 48 48 TYR H H 48 8.360 8.640 -0.280 1
1 361 . 7 1 1 A 48 48 TYR HA H 48 4.212 4.441 -0.229 1
1 368 . 7 1 1 A 48 48 TYR N N 48 117.771 117.599 0.172 1
1 369 . 7 1 1 A 49 49 GLY H H 49 8.614 8.210 0.404 1
1 370 . 7 1 1 A 49 49 GLY HA2 H 49 3.860 4.015 -0.155 1
1 371 . 7 1 1 A 49 49 GLY HA3 H 49 3.860 4.032 -0.172 1
1 372 . 7 1 1 A 49 49 GLY N N 49 105.737 107.953 -2.216 1
1 373 . 7 1 1 A 50 50 SER H H 50 8.109 7.773 0.336 1
1 374 . 7 1 1 A 50 50 SER HA H 50 4.304 4.760 -0.456 1
1 377 . 7 1 1 A 50 50 SER N N 50 116.031 115.411 0.620 1
1 378 . 7 1 1 A 51 51 MET H H 51 7.911 8.593 -0.682 1
1 379 . 7 1 1 A 51 51 MET HA H 51 4.380 4.346 0.034 1
1 384 . 7 1 1 A 51 51 MET N N 51 119.528 119.914 -0.386 1
1 385 . 7 1 1 A 52 52 GLY H H 52 8.235 7.288 0.947 1
1 386 . 7 1 1 A 52 52 GLY HA2 H 52 3.863 3.004 0.859 1
1 387 . 7 1 1 A 52 52 GLY HA3 H 52 3.863 3.767 0.096 1
1 388 . 7 1 1 A 52 52 GLY N N 52 106.413 106.058 0.355 1
1 389 . 7 1 1 A 53 53 GLY H H 53 8.239 7.868 0.371 1
1 390 . 7 1 1 A 53 53 GLY HA2 H 53 3.706 4.181 -0.475 1
1 391 . 7 1 1 A 53 53 GLY HA3 H 53 3.706 4.190 -0.484 1
1 392 . 7 1 1 A 53 53 GLY N N 53 107.655 107.337 0.318 1
1 393 . 7 1 1 A 54 54 GLY H H 54 8.200 7.727 0.473 1
1 394 . 7 1 1 A 54 54 GLY HA2 H 54 3.889 4.042 -0.153 1
1 395 . 7 1 1 A 54 54 GLY HA3 H 54 3.828 4.044 -0.216 1
1 396 . 7 1 1 A 54 54 GLY N N 54 107.173 108.854 -1.681 1
1 397 . 7 1 1 A 55 55 SER H H 55 7.995 7.824 0.171 1
1 398 . 7 1 1 A 55 55 SER HA H 55 4.300 4.226 0.074 1
1 401 . 7 1 1 A 55 55 SER N N 55 115.203 118.417 -3.214 1
1 402 . 7 1 1 A 56 56 LEU H H 56 7.827 7.807 0.020 1
1 403 . 7 1 1 A 56 56 LEU HA H 56 4.297 4.235 0.062 1
1 413 . 7 1 1 A 56 56 LEU N N 56 120.264 119.818 0.446 1
1 414 . 7 1 1 A 57 57 ARG H H 57 7.792 7.842 -0.050 1
1 415 . 7 1 1 A 57 57 ARG HA H 57 4.290 4.495 -0.205 1
1 423 . 7 1 1 A 57 57 ARG N N 57 116.558 119.372 -2.814 1
1 425 . 7 1 1 A 58 58 GLY H H 58 8.062 7.881 0.181 1
1 426 . 7 1 1 A 58 58 GLY HA2 H 58 3.972 3.989 -0.017 1
1 427 . 7 1 1 A 58 58 GLY HA3 H 58 3.941 3.990 -0.049 1
1 428 . 7 1 1 A 58 58 GLY N N 58 106.017 109.335 -3.318 1
1 9 . 8 1 1 A 2 2 SER H H 2 8.739 7.903 0.836 1
1 10 . 8 1 1 A 2 2 SER HA H 2 4.503 4.732 -0.229 1
1 13 . 8 1 1 A 2 2 SER N N 2 116.858 114.502 2.356 1
1 14 . 8 1 1 A 3 3 GLY H H 3 8.847 7.821 1.026 1
1 15 . 8 1 1 A 3 3 GLY HA2 H 3 3.952 3.985 -0.033 1
1 16 . 8 1 1 A 3 3 GLY HA3 H 3 3.889 3.998 -0.109 1
1 17 . 8 1 1 A 3 3 GLY N N 3 109.347 108.111 1.236 1
1 18 . 8 1 1 A 4 4 GLY H H 4 8.506 8.400 0.106 1
1 19 . 8 1 1 A 4 4 GLY HA2 H 4 3.950 3.990 -0.040 1
1 20 . 8 1 1 A 4 4 GLY HA3 H 4 3.894 4.025 -0.131 1
1 21 . 8 1 1 A 4 4 GLY N N 4 106.797 109.493 -2.696 1
1 22 . 8 1 1 A 5 5 GLY H H 5 8.385 8.401 -0.016 1
1 23 . 8 1 1 A 5 5 GLY HA2 H 5 3.888 3.713 0.175 1
1 24 . 8 1 1 A 5 5 GLY HA3 H 5 3.888 3.718 0.170 1
1 25 . 8 1 1 A 5 5 GLY N N 5 109.554 110.036 -0.482 1
1 26 . 8 1 1 A 6 6 VAL H H 6 7.972 8.212 -0.240 1
1 27 . 8 1 1 A 6 6 VAL HA H 6 3.752 3.956 -0.204 1
1 35 . 8 1 1 A 6 6 VAL N N 6 120.821 121.740 -0.919 1
1 36 . 8 1 1 A 7 7 PHE H H 7 7.978 8.445 -0.467 1
1 37 . 8 1 1 A 7 7 PHE HA H 7 4.287 4.078 0.209 1
1 43 . 8 1 1 A 7 7 PHE N N 7 117.926 122.280 -4.354 1
1 44 . 8 1 1 A 8 8 THR H H 8 7.871 8.487 -0.616 1
1 45 . 8 1 1 A 8 8 THR HA H 8 4.295 4.164 0.131 1
1 50 . 8 1 1 A 8 8 THR N N 8 113.783 114.946 -1.163 1
1 51 . 8 1 1 A 9 9 ASP H H 9 8.020 7.755 0.265 1
1 52 . 8 1 1 A 9 9 ASP HA H 9 4.404 4.368 0.036 1
1 55 . 8 1 1 A 9 9 ASP N N 9 120.056 121.247 -1.191 1
1 56 . 8 1 1 A 10 10 ILE H H 10 8.106 7.784 0.322 1
1 57 . 8 1 1 A 10 10 ILE HA H 10 3.691 3.602 0.089 1
1 67 . 8 1 1 A 10 10 ILE N N 10 120.413 120.361 0.052 1
1 68 . 8 1 1 A 11 11 LEU H H 11 7.970 8.048 -0.078 1
1 69 . 8 1 1 A 11 11 LEU HA H 11 3.977 3.964 0.013 1
1 79 . 8 1 1 A 11 11 LEU N N 11 119.889 119.169 0.720 1
1 80 . 8 1 1 A 12 12 ALA H H 12 8.492 8.644 -0.152 1
1 81 . 8 1 1 A 12 12 ALA HA H 12 4.091 4.017 0.074 1
1 85 . 8 1 1 A 12 12 ALA N N 12 120.843 122.205 -1.362 1
1 86 . 8 1 1 A 13 13 ALA H H 13 8.150 8.547 -0.397 1
1 87 . 8 1 1 A 13 13 ALA HA H 13 4.044 4.087 -0.043 1
1 91 . 8 1 1 A 13 13 ALA N N 13 120.771 120.102 0.669 1
1 92 . 8 1 1 A 14 14 ALA H H 14 8.595 8.667 -0.072 1
1 93 . 8 1 1 A 14 14 ALA HA H 14 4.042 4.015 0.027 1
1 97 . 8 1 1 A 14 14 ALA N N 14 119.961 120.079 -0.118 1
1 98 . 8 1 1 A 15 15 GLY H H 15 8.561 8.500 0.061 1
1 99 . 8 1 1 A 15 15 GLY HA2 H 15 3.910 3.818 0.092 1
1 100 . 8 1 1 A 15 15 GLY HA3 H 15 3.849 3.826 0.023 1
1 101 . 8 1 1 A 15 15 GLY N N 15 104.854 106.704 -1.850 1
1 102 . 8 1 1 A 16 16 ARG H H 16 8.102 8.038 0.064 1
1 103 . 8 1 1 A 16 16 ARG HA H 16 4.181 4.080 0.101 1
1 109 . 8 1 1 A 16 16 ARG N N 16 121.532 121.882 -0.350 1
1 111 . 8 1 1 A 17 17 ILE H H 17 8.247 8.568 -0.321 1
1 112 . 8 1 1 A 17 17 ILE HA H 17 3.633 3.657 -0.024 1
1 122 . 8 1 1 A 17 17 ILE N N 17 119.201 120.413 -1.212 1
1 123 . 8 1 1 A 18 18 PHE H H 18 8.398 9.195 -0.797 1
1 124 . 8 1 1 A 18 18 PHE HA H 18 4.218 3.979 0.239 1
1 131 . 8 1 1 A 18 18 PHE N N 18 119.810 120.718 -0.908 1
1 132 . 8 1 1 A 19 19 GLU H H 19 8.311 8.606 -0.295 1
1 133 . 8 1 1 A 19 19 GLU HA H 19 3.827 4.046 -0.219 1
1 138 . 8 1 1 A 19 19 GLU N N 19 116.913 117.699 -0.786 1
1 139 . 8 1 1 A 20 20 VAL H H 20 8.188 8.137 0.051 1
1 140 . 8 1 1 A 20 20 VAL HA H 20 3.642 3.841 -0.199 1
1 148 . 8 1 1 A 20 20 VAL N N 20 118.839 116.712 2.127 1
1 149 . 8 1 1 A 21 21 MET H H 21 8.366 8.209 0.157 1
1 150 . 8 1 1 A 21 21 MET HA H 21 4.100 4.270 -0.170 1
1 155 . 8 1 1 A 21 21 MET N N 21 119.506 120.283 -0.777 1
1 156 . 8 1 1 A 22 22 VAL H H 22 8.401 7.806 0.595 1
1 157 . 8 1 1 A 22 22 VAL HA H 22 3.437 3.471 -0.034 1
1 165 . 8 1 1 A 22 22 VAL N N 22 120.943 120.235 0.708 1
1 166 . 8 1 1 A 23 23 GLU H H 23 8.529 8.803 -0.274 1
1 167 . 8 1 1 A 23 23 GLU HA H 23 4.123 4.201 -0.078 1
1 172 . 8 1 1 A 23 23 GLU N N 23 119.294 118.891 0.403 1
1 173 . 8 1 1 A 24 24 GLY H H 24 9.007 8.232 0.775 1
1 174 . 8 1 1 A 24 24 GLY HA2 H 24 3.883 3.660 0.223 1
1 175 . 8 1 1 A 24 24 GLY HA3 H 24 3.946 3.671 0.275 1
1 176 . 8 1 1 A 24 24 GLY N N 24 106.427 109.446 -3.019 1
1 177 . 8 1 1 A 25 25 HIS H H 25 8.426 7.895 0.531 1
1 178 . 8 1 1 A 25 25 HIS HA H 25 4.277 4.020 0.257 1
1 183 . 8 1 1 A 25 25 HIS N N 25 121.686 121.555 0.131 1
1 184 . 8 1 1 A 26 26 TRP H H 26 8.346 8.194 0.152 1
1 185 . 8 1 1 A 26 26 TRP HA H 26 4.356 4.337 0.019 1
1 194 . 8 1 1 A 26 26 TRP N N 26 120.264 118.098 2.166 1
1 195 . 8 1 1 A 27 27 GLU H H 27 8.899 8.187 0.712 1
1 196 . 8 1 1 A 27 27 GLU HA H 27 4.084 4.240 -0.156 1
1 201 . 8 1 1 A 27 27 GLU N N 27 118.741 120.890 -2.149 1
1 202 . 8 1 1 A 28 28 THR H H 28 7.927 7.736 0.191 1
1 203 . 8 1 1 A 28 28 THR HA H 28 4.298 3.989 0.309 1
1 208 . 8 1 1 A 28 28 THR N N 28 115.172 115.406 -0.234 1
1 209 . 8 1 1 A 29 29 VAL H H 29 7.889 7.316 0.573 1
1 210 . 8 1 1 A 29 29 VAL HA H 29 3.493 3.738 -0.245 1
1 218 . 8 1 1 A 29 29 VAL N N 29 121.045 117.711 3.334 1
1 219 . 8 1 1 A 30 30 GLY H H 30 8.443 8.448 -0.005 1
1 220 . 8 1 1 A 30 30 GLY HA2 H 30 3.833 4.049 -0.216 1
1 221 . 8 1 1 A 30 30 GLY HA3 H 30 3.797 4.102 -0.305 1
1 222 . 8 1 1 A 30 30 GLY N N 30 106.495 111.091 -4.596 1
1 223 . 8 1 1 A 31 31 MET H H 31 8.355 8.192 0.163 1
1 224 . 8 1 1 A 31 31 MET HA H 31 4.246 4.589 -0.343 1
1 229 . 8 1 1 A 31 31 MET N N 31 120.733 119.349 1.384 1
1 230 . 8 1 1 A 32 32 LEU H H 32 8.353 7.720 0.633 1
1 231 . 8 1 1 A 32 32 LEU HA H 32 4.092 3.966 0.126 1
1 241 . 8 1 1 A 32 32 LEU N N 32 122.587 117.133 5.454 1
1 242 . 8 1 1 A 33 33 PHE H H 33 8.723 9.086 -0.363 1
1 243 . 8 1 1 A 33 33 PHE HA H 33 4.198 3.973 0.225 1
1 248 . 8 1 1 A 33 33 PHE N N 33 119.435 121.353 -1.918 1
1 249 . 8 1 1 A 34 34 ASP H H 34 8.824 7.858 0.966 1
1 250 . 8 1 1 A 34 34 ASP HA H 34 4.475 4.181 0.294 1
1 253 . 8 1 1 A 34 34 ASP N N 34 117.868 119.062 -1.194 1
1 254 . 8 1 1 A 35 35 SER H H 35 8.311 7.768 0.543 1
1 255 . 8 1 1 A 35 35 SER HA H 35 4.149 4.328 -0.179 1
1 258 . 8 1 1 A 35 35 SER N N 35 115.581 116.049 -0.468 1
1 259 . 8 1 1 A 36 36 LEU H H 36 8.397 7.665 0.732 1
1 260 . 8 1 1 A 36 36 LEU HA H 36 4.164 4.688 -0.524 1
1 270 . 8 1 1 A 36 36 LEU N N 36 122.970 114.934 8.036 1
1 271 . 8 1 1 A 37 37 GLY H H 37 8.658 7.726 0.932 1
1 272 . 8 1 1 A 37 37 GLY HA2 H 37 3.794 3.352 0.442 1
1 273 . 8 1 1 A 37 37 GLY HA3 H 37 3.794 4.015 -0.221 1
1 274 . 8 1 1 A 37 37 GLY N N 37 109.305 109.423 -0.118 1
1 275 . 8 1 1 A 38 38 LYS H H 38 8.338 7.643 0.695 1
1 276 . 8 1 1 A 38 38 LYS HA H 38 4.003 3.999 0.004 1
1 285 . 8 1 1 A 38 38 LYS N N 38 121.644 122.353 -0.709 1
1 286 . 8 1 1 A 39 39 GLY H H 39 8.525 8.126 0.399 1
1 287 . 8 1 1 A 39 39 GLY HA2 H 39 3.862 3.632 0.230 1
1 288 . 8 1 1 A 39 39 GLY HA3 H 39 3.789 3.635 0.154 1
1 289 . 8 1 1 A 39 39 GLY N N 39 106.016 107.440 -1.424 1
1 290 . 8 1 1 A 40 40 THR H H 40 8.171 7.961 0.210 1
1 291 . 8 1 1 A 40 40 THR HA H 40 4.313 4.044 0.269 1
1 296 . 8 1 1 A 40 40 THR N N 40 117.245 116.849 0.396 1
1 297 . 8 1 1 A 41 41 MET H H 41 8.097 8.111 -0.014 1
1 298 . 8 1 1 A 41 41 MET HA H 41 4.167 3.985 0.182 1
1 303 . 8 1 1 A 41 41 MET N N 41 120.857 119.736 1.121 1
1 304 . 8 1 1 A 42 42 ARG H H 42 8.193 7.684 0.509 1
1 305 . 8 1 1 A 42 42 ARG HA H 42 3.924 4.238 -0.314 1
1 313 . 8 1 1 A 42 42 ARG N N 42 119.314 120.145 -0.831 1
1 315 . 8 1 1 A 43 43 ILE H H 43 8.166 8.260 -0.094 1
1 316 . 8 1 1 A 43 43 ILE HA H 43 3.718 3.565 0.153 1
1 326 . 8 1 1 A 43 43 ILE N N 43 119.185 120.349 -1.164 1
1 327 . 8 1 1 A 44 44 ASN H H 44 8.151 8.872 -0.721 1
1 328 . 8 1 1 A 44 44 ASN HA H 44 4.457 4.495 -0.038 1
1 333 . 8 1 1 A 44 44 ASN N N 44 118.343 118.591 -0.248 1
1 335 . 8 1 1 A 45 45 ARG H H 45 8.550 7.959 0.591 1
1 336 . 8 1 1 A 45 45 ARG HA H 45 4.049 4.115 -0.066 1
1 344 . 8 1 1 A 45 45 ARG N N 45 119.370 119.364 0.006 1
1 346 . 8 1 1 A 46 46 ASN H H 46 8.363 8.381 -0.018 1
1 347 . 8 1 1 A 46 46 ASN HA H 46 4.506 4.497 0.009 1
1 352 . 8 1 1 A 46 46 ASN N N 46 118.424 118.257 0.167 1
1 354 . 8 1 1 A 47 47 ALA H H 47 8.645 8.232 0.413 1
1 355 . 8 1 1 A 47 47 ALA HA H 47 4.089 4.109 -0.020 1
1 359 . 8 1 1 A 47 47 ALA N N 47 124.193 123.212 0.981 1
1 360 . 8 1 1 A 48 48 TYR H H 48 8.360 8.463 -0.103 1
1 361 . 8 1 1 A 48 48 TYR HA H 48 4.212 4.298 -0.086 1
1 368 . 8 1 1 A 48 48 TYR N N 48 117.771 118.576 -0.805 1
1 369 . 8 1 1 A 49 49 GLY H H 49 8.614 8.159 0.455 1
1 370 . 8 1 1 A 49 49 GLY HA2 H 49 3.860 4.020 -0.160 1
1 371 . 8 1 1 A 49 49 GLY HA3 H 49 3.860 4.038 -0.178 1
1 372 . 8 1 1 A 49 49 GLY N N 49 105.737 107.518 -1.781 1
1 373 . 8 1 1 A 50 50 SER H H 50 8.109 7.753 0.356 1
1 374 . 8 1 1 A 50 50 SER HA H 50 4.304 4.652 -0.348 1
1 377 . 8 1 1 A 50 50 SER N N 50 116.031 113.674 2.357 1
1 378 . 8 1 1 A 51 51 MET H H 51 7.911 8.808 -0.897 1
1 379 . 8 1 1 A 51 51 MET HA H 51 4.380 4.205 0.175 1
1 384 . 8 1 1 A 51 51 MET N N 51 119.528 120.026 -0.498 1
1 385 . 8 1 1 A 52 52 GLY H H 52 8.235 7.889 0.346 1
1 386 . 8 1 1 A 52 52 GLY HA2 H 52 3.863 2.601 1.262 1
1 387 . 8 1 1 A 52 52 GLY HA3 H 52 3.863 3.464 0.399 1
1 388 . 8 1 1 A 52 52 GLY N N 52 106.413 108.331 -1.918 1
1 389 . 8 1 1 A 53 53 GLY H H 53 8.239 8.225 0.014 1
1 390 . 8 1 1 A 53 53 GLY HA2 H 53 3.706 3.903 -0.197 1
1 391 . 8 1 1 A 53 53 GLY HA3 H 53 3.706 3.911 -0.205 1
1 392 . 8 1 1 A 53 53 GLY N N 53 107.655 109.326 -1.671 1
1 393 . 8 1 1 A 54 54 GLY H H 54 8.200 7.516 0.684 1
1 394 . 8 1 1 A 54 54 GLY HA2 H 54 3.889 4.092 -0.203 1
1 395 . 8 1 1 A 54 54 GLY HA3 H 54 3.828 4.098 -0.270 1
1 396 . 8 1 1 A 54 54 GLY N N 54 107.173 106.381 0.792 1
1 397 . 8 1 1 A 55 55 SER H H 55 7.995 8.181 -0.186 1
1 398 . 8 1 1 A 55 55 SER HA H 55 4.300 4.432 -0.132 1
1 401 . 8 1 1 A 55 55 SER N N 55 115.203 112.439 2.764 1
1 402 . 8 1 1 A 56 56 LEU H H 56 7.827 8.511 -0.684 1
1 403 . 8 1 1 A 56 56 LEU HA H 56 4.297 3.992 0.305 1
1 413 . 8 1 1 A 56 56 LEU N N 56 120.264 120.355 -0.091 1
1 414 . 8 1 1 A 57 57 ARG H H 57 7.792 8.304 -0.512 1
1 415 . 8 1 1 A 57 57 ARG HA H 57 4.290 4.521 -0.231 1
1 423 . 8 1 1 A 57 57 ARG N N 57 116.558 120.810 -4.252 1
1 425 . 8 1 1 A 58 58 GLY H H 58 8.062 8.084 -0.022 1
1 426 . 8 1 1 A 58 58 GLY HA2 H 58 3.972 4.076 -0.104 1
1 427 . 8 1 1 A 58 58 GLY HA3 H 58 3.941 4.078 -0.137 1
1 428 . 8 1 1 A 58 58 GLY N N 58 106.017 110.504 -4.487 1
1 9 . 9 1 1 A 2 2 SER H H 2 8.739 8.687 0.052 1
1 10 . 9 1 1 A 2 2 SER HA H 2 4.503 5.237 -0.734 1
1 13 . 9 1 1 A 2 2 SER N N 2 116.858 115.714 1.144 1
1 14 . 9 1 1 A 3 3 GLY H H 3 8.847 8.684 0.163 1
1 15 . 9 1 1 A 3 3 GLY HA2 H 3 3.952 3.948 0.004 1
1 16 . 9 1 1 A 3 3 GLY HA3 H 3 3.889 3.963 -0.074 1
1 17 . 9 1 1 A 3 3 GLY N N 3 109.347 113.118 -3.771 1
1 18 . 9 1 1 A 4 4 GLY H H 4 8.506 8.577 -0.071 1
1 19 . 9 1 1 A 4 4 GLY HA2 H 4 3.950 3.881 0.069 1
1 20 . 9 1 1 A 4 4 GLY HA3 H 4 3.894 3.919 -0.025 1
1 21 . 9 1 1 A 4 4 GLY N N 4 106.797 110.327 -3.530 1
1 22 . 9 1 1 A 5 5 GLY H H 5 8.385 8.414 -0.029 1
1 23 . 9 1 1 A 5 5 GLY HA2 H 5 3.888 3.823 0.065 1
1 24 . 9 1 1 A 5 5 GLY HA3 H 5 3.888 3.829 0.059 1
1 25 . 9 1 1 A 5 5 GLY N N 5 109.554 109.845 -0.291 1
1 26 . 9 1 1 A 6 6 VAL H H 6 7.972 8.253 -0.281 1
1 27 . 9 1 1 A 6 6 VAL HA H 6 3.752 3.941 -0.189 1
1 35 . 9 1 1 A 6 6 VAL N N 6 120.821 121.851 -1.030 1
1 36 . 9 1 1 A 7 7 PHE H H 7 7.978 8.485 -0.507 1
1 37 . 9 1 1 A 7 7 PHE HA H 7 4.287 4.077 0.210 1
1 43 . 9 1 1 A 7 7 PHE N N 7 117.926 122.393 -4.467 1
1 44 . 9 1 1 A 8 8 THR H H 8 7.871 8.548 -0.677 1
1 45 . 9 1 1 A 8 8 THR HA H 8 4.295 4.208 0.087 1
1 50 . 9 1 1 A 8 8 THR N N 8 113.783 114.760 -0.977 1
1 51 . 9 1 1 A 9 9 ASP H H 9 8.020 8.142 -0.122 1
1 52 . 9 1 1 A 9 9 ASP HA H 9 4.404 4.395 0.009 1
1 55 . 9 1 1 A 9 9 ASP N N 9 120.056 120.784 -0.728 1
1 56 . 9 1 1 A 10 10 ILE H H 10 8.106 7.805 0.301 1
1 57 . 9 1 1 A 10 10 ILE HA H 10 3.691 3.619 0.072 1
1 67 . 9 1 1 A 10 10 ILE N N 10 120.413 120.318 0.095 1
1 68 . 9 1 1 A 11 11 LEU H H 11 7.970 8.009 -0.039 1
1 69 . 9 1 1 A 11 11 LEU HA H 11 3.977 3.943 0.034 1
1 79 . 9 1 1 A 11 11 LEU N N 11 119.889 119.031 0.858 1
1 80 . 9 1 1 A 12 12 ALA H H 12 8.492 8.771 -0.279 1
1 81 . 9 1 1 A 12 12 ALA HA H 12 4.091 3.985 0.106 1
1 85 . 9 1 1 A 12 12 ALA N N 12 120.843 122.070 -1.227 1
1 86 . 9 1 1 A 13 13 ALA H H 13 8.150 8.601 -0.451 1
1 87 . 9 1 1 A 13 13 ALA HA H 13 4.044 4.075 -0.031 1
1 91 . 9 1 1 A 13 13 ALA N N 13 120.771 120.174 0.597 1
1 92 . 9 1 1 A 14 14 ALA H H 14 8.595 8.721 -0.126 1
1 93 . 9 1 1 A 14 14 ALA HA H 14 4.042 4.018 0.024 1
1 97 . 9 1 1 A 14 14 ALA N N 14 119.961 120.106 -0.145 1
1 98 . 9 1 1 A 15 15 GLY H H 15 8.561 8.454 0.107 1
1 99 . 9 1 1 A 15 15 GLY HA2 H 15 3.910 3.790 0.120 1
1 100 . 9 1 1 A 15 15 GLY HA3 H 15 3.849 3.812 0.037 1
1 101 . 9 1 1 A 15 15 GLY N N 15 104.854 106.778 -1.924 1
1 102 . 9 1 1 A 16 16 ARG H H 16 8.102 8.045 0.057 1
1 103 . 9 1 1 A 16 16 ARG HA H 16 4.181 4.083 0.098 1
1 109 . 9 1 1 A 16 16 ARG N N 16 121.532 121.961 -0.429 1
1 111 . 9 1 1 A 17 17 ILE H H 17 8.247 8.782 -0.535 1
1 112 . 9 1 1 A 17 17 ILE HA H 17 3.633 3.669 -0.036 1
1 122 . 9 1 1 A 17 17 ILE N N 17 119.201 120.900 -1.699 1
1 123 . 9 1 1 A 18 18 PHE H H 18 8.398 9.243 -0.845 1
1 124 . 9 1 1 A 18 18 PHE HA H 18 4.218 3.973 0.245 1
1 131 . 9 1 1 A 18 18 PHE N N 18 119.810 120.740 -0.930 1
1 132 . 9 1 1 A 19 19 GLU H H 19 8.311 8.277 0.034 1
1 133 . 9 1 1 A 19 19 GLU HA H 19 3.827 3.931 -0.104 1
1 138 . 9 1 1 A 19 19 GLU N N 19 116.913 118.105 -1.192 1
1 139 . 9 1 1 A 20 20 VAL H H 20 8.188 8.049 0.139 1
1 140 . 9 1 1 A 20 20 VAL HA H 20 3.642 3.840 -0.198 1
1 148 . 9 1 1 A 20 20 VAL N N 20 118.839 117.009 1.830 1
1 149 . 9 1 1 A 21 21 MET H H 21 8.366 8.283 0.083 1
1 150 . 9 1 1 A 21 21 MET HA H 21 4.100 4.416 -0.316 1
1 155 . 9 1 1 A 21 21 MET N N 21 119.506 120.175 -0.669 1
1 156 . 9 1 1 A 22 22 VAL H H 22 8.401 7.811 0.590 1
1 157 . 9 1 1 A 22 22 VAL HA H 22 3.437 3.498 -0.061 1
1 165 . 9 1 1 A 22 22 VAL N N 22 120.943 120.327 0.616 1
1 166 . 9 1 1 A 23 23 GLU H H 23 8.529 8.546 -0.017 1
1 167 . 9 1 1 A 23 23 GLU HA H 23 4.123 4.188 -0.065 1
1 172 . 9 1 1 A 23 23 GLU N N 23 119.294 119.956 -0.662 1
1 173 . 9 1 1 A 24 24 GLY H H 24 9.007 7.800 1.207 1
1 174 . 9 1 1 A 24 24 GLY HA2 H 24 3.883 3.640 0.243 1
1 175 . 9 1 1 A 24 24 GLY HA3 H 24 3.946 3.654 0.292 1
1 176 . 9 1 1 A 24 24 GLY N N 24 106.427 109.528 -3.101 1
1 177 . 9 1 1 A 25 25 HIS H H 25 8.426 7.722 0.704 1
1 178 . 9 1 1 A 25 25 HIS HA H 25 4.277 4.022 0.255 1
1 183 . 9 1 1 A 25 25 HIS N N 25 121.686 121.590 0.096 1
1 184 . 9 1 1 A 26 26 TRP H H 26 8.346 8.205 0.141 1
1 185 . 9 1 1 A 26 26 TRP HA H 26 4.356 4.345 0.011 1
1 194 . 9 1 1 A 26 26 TRP N N 26 120.264 118.253 2.011 1
1 195 . 9 1 1 A 27 27 GLU H H 27 8.899 7.905 0.994 1
1 196 . 9 1 1 A 27 27 GLU HA H 27 4.084 4.250 -0.166 1
1 201 . 9 1 1 A 27 27 GLU N N 27 118.741 120.849 -2.108 1
1 202 . 9 1 1 A 28 28 THR H H 28 7.927 7.813 0.114 1
1 203 . 9 1 1 A 28 28 THR HA H 28 4.298 4.026 0.272 1
1 208 . 9 1 1 A 28 28 THR N N 28 115.172 115.542 -0.370 1
1 209 . 9 1 1 A 29 29 VAL H H 29 7.889 7.479 0.410 1
1 210 . 9 1 1 A 29 29 VAL HA H 29 3.493 3.706 -0.213 1
1 218 . 9 1 1 A 29 29 VAL N N 29 121.045 118.313 2.732 1
1 219 . 9 1 1 A 30 30 GLY H H 30 8.443 8.422 0.021 1
1 220 . 9 1 1 A 30 30 GLY HA2 H 30 3.833 4.042 -0.209 1
1 221 . 9 1 1 A 30 30 GLY HA3 H 30 3.797 4.097 -0.300 1
1 222 . 9 1 1 A 30 30 GLY N N 30 106.495 111.323 -4.828 1
1 223 . 9 1 1 A 31 31 MET H H 31 8.355 8.253 0.102 1
1 224 . 9 1 1 A 31 31 MET HA H 31 4.246 4.587 -0.341 1
1 229 . 9 1 1 A 31 31 MET N N 31 120.733 119.028 1.705 1
1 230 . 9 1 1 A 32 32 LEU H H 32 8.353 7.697 0.656 1
1 231 . 9 1 1 A 32 32 LEU HA H 32 4.092 3.969 0.123 1
1 241 . 9 1 1 A 32 32 LEU N N 32 122.587 117.592 4.995 1
1 242 . 9 1 1 A 33 33 PHE H H 33 8.723 9.182 -0.459 1
1 243 . 9 1 1 A 33 33 PHE HA H 33 4.198 3.983 0.215 1
1 248 . 9 1 1 A 33 33 PHE N N 33 119.435 121.798 -2.363 1
1 249 . 9 1 1 A 34 34 ASP H H 34 8.824 8.226 0.598 1
1 250 . 9 1 1 A 34 34 ASP HA H 34 4.475 4.243 0.232 1
1 253 . 9 1 1 A 34 34 ASP N N 34 117.868 118.931 -1.063 1
1 254 . 9 1 1 A 35 35 SER H H 35 8.311 7.670 0.641 1
1 255 . 9 1 1 A 35 35 SER HA H 35 4.149 4.315 -0.166 1
1 258 . 9 1 1 A 35 35 SER N N 35 115.581 113.494 2.087 1
1 259 . 9 1 1 A 36 36 LEU H H 36 8.397 7.887 0.510 1
1 260 . 9 1 1 A 36 36 LEU HA H 36 4.164 4.795 -0.631 1
1 270 . 9 1 1 A 36 36 LEU N N 36 122.970 118.608 4.362 1
1 271 . 9 1 1 A 37 37 GLY H H 37 8.658 7.740 0.918 1
1 272 . 9 1 1 A 37 37 GLY HA2 H 37 3.794 3.489 0.305 1
1 273 . 9 1 1 A 37 37 GLY HA3 H 37 3.794 3.652 0.142 1
1 274 . 9 1 1 A 37 37 GLY N N 37 109.305 108.139 1.166 1
1 275 . 9 1 1 A 38 38 LYS H H 38 8.338 7.689 0.649 1
1 276 . 9 1 1 A 38 38 LYS HA H 38 4.003 4.134 -0.131 1
1 285 . 9 1 1 A 38 38 LYS N N 38 121.644 121.916 -0.272 1
1 286 . 9 1 1 A 39 39 GLY H H 39 8.525 7.766 0.759 1
1 287 . 9 1 1 A 39 39 GLY HA2 H 39 3.862 3.898 -0.036 1
1 288 . 9 1 1 A 39 39 GLY HA3 H 39 3.789 3.907 -0.118 1
1 289 . 9 1 1 A 39 39 GLY N N 39 106.016 107.127 -1.111 1
1 290 . 9 1 1 A 40 40 THR H H 40 8.171 8.441 -0.270 1
1 291 . 9 1 1 A 40 40 THR HA H 40 4.313 4.092 0.221 1
1 296 . 9 1 1 A 40 40 THR N N 40 117.245 113.585 3.660 1
1 297 . 9 1 1 A 41 41 MET H H 41 8.097 7.813 0.284 1
1 298 . 9 1 1 A 41 41 MET HA H 41 4.167 4.035 0.132 1
1 303 . 9 1 1 A 41 41 MET N N 41 120.857 120.912 -0.055 1
1 304 . 9 1 1 A 42 42 ARG H H 42 8.193 7.981 0.212 1
1 305 . 9 1 1 A 42 42 ARG HA H 42 3.924 4.044 -0.120 1
1 313 . 9 1 1 A 42 42 ARG N N 42 119.314 120.785 -1.471 1
1 315 . 9 1 1 A 43 43 ILE H H 43 8.166 8.109 0.057 1
1 316 . 9 1 1 A 43 43 ILE HA H 43 3.718 3.775 -0.057 1
1 326 . 9 1 1 A 43 43 ILE N N 43 119.185 119.725 -0.540 1
1 327 . 9 1 1 A 44 44 ASN H H 44 8.151 8.532 -0.381 1
1 328 . 9 1 1 A 44 44 ASN HA H 44 4.457 4.536 -0.079 1
1 333 . 9 1 1 A 44 44 ASN N N 44 118.343 119.011 -0.668 1
1 335 . 9 1 1 A 45 45 ARG H H 45 8.550 7.846 0.704 1
1 336 . 9 1 1 A 45 45 ARG HA H 45 4.049 4.091 -0.042 1
1 344 . 9 1 1 A 45 45 ARG N N 45 119.370 119.872 -0.502 1
1 346 . 9 1 1 A 46 46 ASN H H 46 8.363 8.286 0.077 1
1 347 . 9 1 1 A 46 46 ASN HA H 46 4.506 4.500 0.006 1
1 352 . 9 1 1 A 46 46 ASN N N 46 118.424 118.258 0.166 1
1 354 . 9 1 1 A 47 47 ALA H H 47 8.645 8.246 0.399 1
1 355 . 9 1 1 A 47 47 ALA HA H 47 4.089 4.106 -0.017 1
1 359 . 9 1 1 A 47 47 ALA N N 47 124.193 123.499 0.694 1
1 360 . 9 1 1 A 48 48 TYR H H 48 8.360 8.463 -0.103 1
1 361 . 9 1 1 A 48 48 TYR HA H 48 4.212 4.287 -0.075 1
1 368 . 9 1 1 A 48 48 TYR N N 48 117.771 118.536 -0.765 1
1 369 . 9 1 1 A 49 49 GLY H H 49 8.614 8.227 0.387 1
1 370 . 9 1 1 A 49 49 GLY HA2 H 49 3.860 4.012 -0.152 1
1 371 . 9 1 1 A 49 49 GLY HA3 H 49 3.860 4.031 -0.171 1
1 372 . 9 1 1 A 49 49 GLY N N 49 105.737 107.862 -2.125 1
1 373 . 9 1 1 A 50 50 SER H H 50 8.109 7.926 0.183 1
1 374 . 9 1 1 A 50 50 SER HA H 50 4.304 4.780 -0.476 1
1 377 . 9 1 1 A 50 50 SER N N 50 116.031 115.229 0.802 1
1 378 . 9 1 1 A 51 51 MET H H 51 7.911 8.566 -0.655 1
1 379 . 9 1 1 A 51 51 MET HA H 51 4.380 4.195 0.185 1
1 384 . 9 1 1 A 51 51 MET N N 51 119.528 120.441 -0.913 1
1 385 . 9 1 1 A 52 52 GLY H H 52 8.235 8.111 0.124 1
1 386 . 9 1 1 A 52 52 GLY HA2 H 52 3.863 2.180 1.683 1
1 387 . 9 1 1 A 52 52 GLY HA3 H 52 3.863 3.242 0.621 1
1 388 . 9 1 1 A 52 52 GLY N N 52 106.413 108.033 -1.620 1
1 389 . 9 1 1 A 53 53 GLY H H 53 8.239 7.572 0.667 1
1 390 . 9 1 1 A 53 53 GLY HA2 H 53 3.706 3.679 0.027 1
1 391 . 9 1 1 A 53 53 GLY HA3 H 53 3.706 3.694 0.012 1
1 392 . 9 1 1 A 53 53 GLY N N 53 107.655 108.998 -1.343 1
1 393 . 9 1 1 A 54 54 GLY H H 54 8.200 7.768 0.432 1
1 394 . 9 1 1 A 54 54 GLY HA2 H 54 3.889 3.906 -0.017 1
1 395 . 9 1 1 A 54 54 GLY HA3 H 54 3.828 3.910 -0.082 1
1 396 . 9 1 1 A 54 54 GLY N N 54 107.173 109.355 -2.182 1
1 397 . 9 1 1 A 55 55 SER H H 55 7.995 7.963 0.032 1
1 398 . 9 1 1 A 55 55 SER HA H 55 4.300 4.198 0.102 1
1 401 . 9 1 1 A 55 55 SER N N 55 115.203 111.234 3.969 1
1 402 . 9 1 1 A 56 56 LEU H H 56 7.827 7.932 -0.105 1
1 403 . 9 1 1 A 56 56 LEU HA H 56 4.297 4.293 0.004 1
1 413 . 9 1 1 A 56 56 LEU N N 56 120.264 120.733 -0.469 1
1 414 . 9 1 1 A 57 57 ARG H H 57 7.792 8.527 -0.735 1
1 415 . 9 1 1 A 57 57 ARG HA H 57 4.290 4.113 0.177 1
1 423 . 9 1 1 A 57 57 ARG N N 57 116.558 118.981 -2.423 1
1 425 . 9 1 1 A 58 58 GLY H H 58 8.062 7.818 0.244 1
1 426 . 9 1 1 A 58 58 GLY HA2 H 58 3.972 4.001 -0.029 1
1 427 . 9 1 1 A 58 58 GLY HA3 H 58 3.941 4.003 -0.062 1
1 428 . 9 1 1 A 58 58 GLY N N 58 106.017 108.714 -2.697 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 0 0.000 1
2 1 1 1 "RMS(OBS, PRED)" CA 0 0.000 1
3 1 1 1 "RMS(OBS, PRED)" CB 0 0.000 1
4 1 1 1 "RMS(OBS, PRED)" H 57 0.486 1
5 1 1 1 "RMS(OBS, PRED)" HA 70 0.257 1
6 1 1 1 "RMS(OBS, PRED)" N 57 2.360 1
7 1 2 1 "RMS(OBS, PRED)" C 0 0.000 1
8 1 2 1 "RMS(OBS, PRED)" CA 0 0.000 1
9 1 2 1 "RMS(OBS, PRED)" CB 0 0.000 1
10 1 2 1 "RMS(OBS, PRED)" H 57 0.471 1
11 1 2 1 "RMS(OBS, PRED)" HA 70 0.303 1
12 1 2 1 "RMS(OBS, PRED)" N 57 2.488 1
13 1 3 1 "RMS(OBS, PRED)" C 0 0.000 1
14 1 3 1 "RMS(OBS, PRED)" CA 0 0.000 1
15 1 3 1 "RMS(OBS, PRED)" CB 0 0.000 1
16 1 3 1 "RMS(OBS, PRED)" H 57 0.465 1
17 1 3 1 "RMS(OBS, PRED)" HA 70 0.254 1
18 1 3 1 "RMS(OBS, PRED)" N 57 2.380 1
19 1 4 1 "RMS(OBS, PRED)" C 0 0.000 1
20 1 4 1 "RMS(OBS, PRED)" CA 0 0.000 1
21 1 4 1 "RMS(OBS, PRED)" CB 0 0.000 1
22 1 4 1 "RMS(OBS, PRED)" H 57 0.466 1
23 1 4 1 "RMS(OBS, PRED)" HA 70 0.280 1
24 1 4 1 "RMS(OBS, PRED)" N 57 2.129 1
25 1 5 1 "RMS(OBS, PRED)" C 0 0.000 1
26 1 5 1 "RMS(OBS, PRED)" CA 0 0.000 1
27 1 5 1 "RMS(OBS, PRED)" CB 0 0.000 1
28 1 5 1 "RMS(OBS, PRED)" H 57 0.455 1
29 1 5 1 "RMS(OBS, PRED)" HA 70 0.317 1
30 1 5 1 "RMS(OBS, PRED)" N 57 2.116 1
31 1 6 1 "RMS(OBS, PRED)" C 0 0.000 1
32 1 6 1 "RMS(OBS, PRED)" CA 0 0.000 1
33 1 6 1 "RMS(OBS, PRED)" CB 0 0.000 1
34 1 6 1 "RMS(OBS, PRED)" H 57 0.509 1
35 1 6 1 "RMS(OBS, PRED)" HA 70 0.269 1
36 1 6 1 "RMS(OBS, PRED)" N 57 2.192 1
37 1 7 1 "RMS(OBS, PRED)" C 0 0.000 1
38 1 7 1 "RMS(OBS, PRED)" CA 0 0.000 1
39 1 7 1 "RMS(OBS, PRED)" CB 0 0.000 1
40 1 7 1 "RMS(OBS, PRED)" H 57 0.453 1
41 1 7 1 "RMS(OBS, PRED)" HA 70 0.244 1
42 1 7 1 "RMS(OBS, PRED)" N 57 2.172 1
43 1 8 1 "RMS(OBS, PRED)" C 0 0.000 1
44 1 8 1 "RMS(OBS, PRED)" CA 0 0.000 1
45 1 8 1 "RMS(OBS, PRED)" CB 0 0.000 1
46 1 8 1 "RMS(OBS, PRED)" H 57 0.492 1
47 1 8 1 "RMS(OBS, PRED)" HA 70 0.254 1
48 1 8 1 "RMS(OBS, PRED)" N 57 2.213 1
49 1 9 1 "RMS(OBS, PRED)" C 0 0.000 1
50 1 9 1 "RMS(OBS, PRED)" CA 0 0.000 1
51 1 9 1 "RMS(OBS, PRED)" CB 0 0.000 1
52 1 9 1 "RMS(OBS, PRED)" H 57 0.466 1
53 1 9 1 "RMS(OBS, PRED)" HA 70 0.292 1
54 1 9 1 "RMS(OBS, PRED)" N 57 2.064 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 9 . 1 1 A 2 2 SER H H 2 8.739 8.282 0.457 2
1 10 . 1 1 A 2 2 SER HA H 2 4.503 4.670 -0.167 2
1 13 . 1 1 A 2 2 SER N N 2 116.858 115.280 1.578 2
1 14 . 1 1 A 3 3 GLY H H 3 8.847 8.297 0.550 2
1 15 . 1 1 A 3 3 GLY HA2 H 3 3.952 4.008 -0.056 2
1 16 . 1 1 A 3 3 GLY HA3 H 3 3.889 4.024 -0.135 2
1 17 . 1 1 A 3 3 GLY N N 3 109.347 110.850 -1.503 2
1 18 . 1 1 A 4 4 GLY H H 4 8.506 8.399 0.107 2
1 19 . 1 1 A 4 4 GLY HA2 H 4 3.950 3.830 0.120 2
1 20 . 1 1 A 4 4 GLY HA3 H 4 3.894 3.935 -0.041 2
1 21 . 1 1 A 4 4 GLY N N 4 106.797 109.926 -3.129 2
1 22 . 1 1 A 5 5 GLY H H 5 8.385 8.349 0.036 2
1 23 . 1 1 A 5 5 GLY HA2 H 5 3.888 3.865 0.023 2
1 24 . 1 1 A 5 5 GLY HA3 H 5 3.888 3.875 0.013 2
1 25 . 1 1 A 5 5 GLY N N 5 109.554 109.251 0.303 2
1 26 . 1 1 A 6 6 VAL H H 6 7.972 8.087 -0.115 2
1 27 . 1 1 A 6 6 VAL HA H 6 3.752 4.107 -0.355 2
1 35 . 1 1 A 6 6 VAL N N 6 120.821 119.675 1.146 2
1 36 . 1 1 A 7 7 PHE H H 7 7.978 8.375 -0.397 2
1 37 . 1 1 A 7 7 PHE HA H 7 4.287 4.123 0.164 2
1 43 . 1 1 A 7 7 PHE N N 7 117.926 122.096 -4.170 2
1 44 . 1 1 A 8 8 THR H H 8 7.871 8.322 -0.451 2
1 45 . 1 1 A 8 8 THR HA H 8 4.295 4.172 0.123 2
1 50 . 1 1 A 8 8 THR N N 8 113.783 115.186 -1.403 2
1 51 . 1 1 A 9 9 ASP H H 9 8.020 8.099 -0.079 2
1 52 . 1 1 A 9 9 ASP HA H 9 4.404 4.370 0.034 2
1 55 . 1 1 A 9 9 ASP N N 9 120.056 120.575 -0.519 2
1 56 . 1 1 A 10 10 ILE H H 10 8.106 7.820 0.286 2
1 57 . 1 1 A 10 10 ILE HA H 10 3.691 3.643 0.048 2
1 67 . 1 1 A 10 10 ILE N N 10 120.413 120.350 0.063 2
1 68 . 1 1 A 11 11 LEU H H 11 7.970 7.937 0.033 2
1 69 . 1 1 A 11 11 LEU HA H 11 3.977 4.009 -0.032 2
1 79 . 1 1 A 11 11 LEU N N 11 119.889 120.215 -0.326 2
1 80 . 1 1 A 12 12 ALA H H 12 8.492 8.681 -0.189 2
1 81 . 1 1 A 12 12 ALA HA H 12 4.091 4.014 0.077 2
1 85 . 1 1 A 12 12 ALA N N 12 120.843 122.049 -1.206 2
1 86 . 1 1 A 13 13 ALA H H 13 8.150 8.618 -0.468 2
1 87 . 1 1 A 13 13 ALA HA H 13 4.044 4.073 -0.029 2
1 91 . 1 1 A 13 13 ALA N N 13 120.771 120.053 0.718 2
1 92 . 1 1 A 14 14 ALA H H 14 8.595 8.553 0.042 2
1 93 . 1 1 A 14 14 ALA HA H 14 4.042 4.026 0.016 2
1 97 . 1 1 A 14 14 ALA N N 14 119.961 120.118 -0.157 2
1 98 . 1 1 A 15 15 GLY H H 15 8.561 8.493 0.068 2
1 99 . 1 1 A 15 15 GLY HA2 H 15 3.910 3.810 0.100 2
1 100 . 1 1 A 15 15 GLY HA3 H 15 3.849 3.818 0.031 2
1 101 . 1 1 A 15 15 GLY N N 15 104.854 106.618 -1.764 2
1 102 . 1 1 A 16 16 ARG H H 16 8.102 8.113 -0.011 2
1 103 . 1 1 A 16 16 ARG HA H 16 4.181 4.090 0.091 2
1 109 . 1 1 A 16 16 ARG N N 16 121.532 121.835 -0.303 2
1 111 . 1 1 A 17 17 ILE H H 17 8.247 8.636 -0.389 2
1 112 . 1 1 A 17 17 ILE HA H 17 3.633 3.662 -0.029 2
1 122 . 1 1 A 17 17 ILE N N 17 119.201 120.672 -1.471 2
1 123 . 1 1 A 18 18 PHE H H 18 8.398 9.155 -0.757 2
1 124 . 1 1 A 18 18 PHE HA H 18 4.218 3.992 0.226 2
1 131 . 1 1 A 18 18 PHE N N 18 119.810 120.505 -0.695 2
1 132 . 1 1 A 19 19 GLU H H 19 8.311 8.512 -0.201 2
1 133 . 1 1 A 19 19 GLU HA H 19 3.827 4.002 -0.175 2
1 138 . 1 1 A 19 19 GLU N N 19 116.913 117.966 -1.053 2
1 139 . 1 1 A 20 20 VAL H H 20 8.188 8.171 0.017 2
1 140 . 1 1 A 20 20 VAL HA H 20 3.642 3.899 -0.257 2
1 148 . 1 1 A 20 20 VAL N N 20 118.839 116.933 1.906 2
1 149 . 1 1 A 21 21 MET H H 21 8.366 8.217 0.149 2
1 150 . 1 1 A 21 21 MET HA H 21 4.100 4.305 -0.205 2
1 155 . 1 1 A 21 21 MET N N 21 119.506 120.222 -0.716 2
1 156 . 1 1 A 22 22 VAL H H 22 8.401 7.803 0.598 2
1 157 . 1 1 A 22 22 VAL HA H 22 3.437 3.512 -0.075 2
1 165 . 1 1 A 22 22 VAL N N 22 120.943 120.247 0.696 2
1 166 . 1 1 A 23 23 GLU H H 23 8.529 8.756 -0.227 2
1 167 . 1 1 A 23 23 GLU HA H 23 4.123 4.206 -0.083 2
1 172 . 1 1 A 23 23 GLU N N 23 119.294 119.161 0.133 2
1 173 . 1 1 A 24 24 GLY H H 24 9.007 7.970 1.037 2
1 174 . 1 1 A 24 24 GLY HA2 H 24 3.883 3.641 0.242 2
1 175 . 1 1 A 24 24 GLY HA3 H 24 3.946 3.654 0.292 2
1 176 . 1 1 A 24 24 GLY N N 24 106.427 109.193 -2.766 2
1 177 . 1 1 A 25 25 HIS H H 25 8.426 7.814 0.612 2
1 178 . 1 1 A 25 25 HIS HA H 25 4.277 4.011 0.266 2
1 183 . 1 1 A 25 25 HIS N N 25 121.686 121.645 0.041 2
1 184 . 1 1 A 26 26 TRP H H 26 8.346 8.060 0.286 2
1 185 . 1 1 A 26 26 TRP HA H 26 4.356 4.345 0.011 2
1 194 . 1 1 A 26 26 TRP N N 26 120.264 117.774 2.490 2
1 195 . 1 1 A 27 27 GLU H H 27 8.899 8.114 0.785 2
1 196 . 1 1 A 27 27 GLU HA H 27 4.084 4.202 -0.118 2
1 201 . 1 1 A 27 27 GLU N N 27 118.741 120.882 -2.141 2
1 202 . 1 1 A 28 28 THR H H 28 7.927 7.676 0.251 2
1 203 . 1 1 A 28 28 THR HA H 28 4.298 4.025 0.273 2
1 208 . 1 1 A 28 28 THR N N 28 115.172 116.310 -1.138 2
1 209 . 1 1 A 29 29 VAL H H 29 7.889 7.591 0.298 2
1 210 . 1 1 A 29 29 VAL HA H 29 3.493 3.780 -0.287 2
1 218 . 1 1 A 29 29 VAL N N 29 121.045 118.348 2.697 2
1 219 . 1 1 A 30 30 GLY H H 30 8.443 8.418 0.025 2
1 220 . 1 1 A 30 30 GLY HA2 H 30 3.833 4.045 -0.212 2
1 221 . 1 1 A 30 30 GLY HA3 H 30 3.797 4.095 -0.298 2
1 222 . 1 1 A 30 30 GLY N N 30 106.495 111.071 -4.576 2
1 223 . 1 1 A 31 31 MET H H 31 8.355 8.118 0.237 2
1 224 . 1 1 A 31 31 MET HA H 31 4.246 4.625 -0.379 2
1 229 . 1 1 A 31 31 MET N N 31 120.733 118.371 2.362 2
1 230 . 1 1 A 32 32 LEU H H 32 8.353 7.795 0.558 2
1 231 . 1 1 A 32 32 LEU HA H 32 4.092 3.977 0.115 2
1 241 . 1 1 A 32 32 LEU N N 32 122.587 117.443 5.144 2
1 242 . 1 1 A 33 33 PHE H H 33 8.723 9.079 -0.356 2
1 243 . 1 1 A 33 33 PHE HA H 33 4.198 4.028 0.170 2
1 248 . 1 1 A 33 33 PHE N N 33 119.435 121.602 -2.167 2
1 249 . 1 1 A 34 34 ASP H H 34 8.824 8.031 0.793 2
1 250 . 1 1 A 34 34 ASP HA H 34 4.475 4.195 0.280 2
1 253 . 1 1 A 34 34 ASP N N 34 117.868 119.235 -1.367 2
1 254 . 1 1 A 35 35 SER H H 35 8.311 7.943 0.368 2
1 255 . 1 1 A 35 35 SER HA H 35 4.149 4.294 -0.145 2
1 258 . 1 1 A 35 35 SER N N 35 115.581 114.803 0.778 2
1 259 . 1 1 A 36 36 LEU H H 36 8.397 7.705 0.692 2
1 260 . 1 1 A 36 36 LEU HA H 36 4.164 4.660 -0.496 2
1 270 . 1 1 A 36 36 LEU N N 36 122.970 116.110 6.860 2
1 271 . 1 1 A 37 37 GLY H H 37 8.658 7.842 0.816 2
1 272 . 1 1 A 37 37 GLY HA2 H 37 3.794 3.463 0.331 2
1 273 . 1 1 A 37 37 GLY HA3 H 37 3.794 3.988 -0.194 2
1 274 . 1 1 A 37 37 GLY N N 37 109.305 109.079 0.226 2
1 275 . 1 1 A 38 38 LYS H H 38 8.338 7.608 0.730 2
1 276 . 1 1 A 38 38 LYS HA H 38 4.003 4.121 -0.118 2
1 285 . 1 1 A 38 38 LYS N N 38 121.644 121.420 0.224 2
1 286 . 1 1 A 39 39 GLY H H 39 8.525 8.039 0.486 2
1 287 . 1 1 A 39 39 GLY HA2 H 39 3.862 3.772 0.090 2
1 288 . 1 1 A 39 39 GLY HA3 H 39 3.789 3.776 0.013 2
1 289 . 1 1 A 39 39 GLY N N 39 106.016 107.326 -1.310 2
1 290 . 1 1 A 40 40 THR H H 40 8.171 7.973 0.198 2
1 291 . 1 1 A 40 40 THR HA H 40 4.313 4.251 0.062 2
1 296 . 1 1 A 40 40 THR N N 40 117.245 115.253 1.992 2
1 297 . 1 1 A 41 41 MET H H 41 8.097 8.100 -0.003 2
1 298 . 1 1 A 41 41 MET HA H 41 4.167 4.049 0.118 2
1 303 . 1 1 A 41 41 MET N N 41 120.857 120.899 -0.042 2
1 304 . 1 1 A 42 42 ARG H H 42 8.193 7.992 0.201 2
1 305 . 1 1 A 42 42 ARG HA H 42 3.924 4.130 -0.206 2
1 313 . 1 1 A 42 42 ARG N N 42 119.314 119.973 -0.659 2
1 315 . 1 1 A 43 43 ILE H H 43 8.166 8.155 0.011 2
1 316 . 1 1 A 43 43 ILE HA H 43 3.718 3.681 0.037 2
1 326 . 1 1 A 43 43 ILE N N 43 119.185 119.810 -0.625 2
1 327 . 1 1 A 44 44 ASN H H 44 8.151 8.487 -0.336 2
1 328 . 1 1 A 44 44 ASN HA H 44 4.457 4.543 -0.086 2
1 333 . 1 1 A 44 44 ASN N N 44 118.343 118.815 -0.472 2
1 335 . 1 1 A 45 45 ARG H H 45 8.550 8.006 0.544 2
1 336 . 1 1 A 45 45 ARG HA H 45 4.049 4.071 -0.022 2
1 344 . 1 1 A 45 45 ARG N N 45 119.370 119.982 -0.612 2
1 346 . 1 1 A 46 46 ASN H H 46 8.363 8.369 -0.006 2
1 347 . 1 1 A 46 46 ASN HA H 46 4.506 4.492 0.014 2
1 352 . 1 1 A 46 46 ASN N N 46 118.424 117.984 0.440 2
1 354 . 1 1 A 47 47 ALA H H 47 8.645 8.219 0.426 2
1 355 . 1 1 A 47 47 ALA HA H 47 4.089 4.125 -0.036 2
1 359 . 1 1 A 47 47 ALA N N 47 124.193 123.072 1.121 2
1 360 . 1 1 A 48 48 TYR H H 48 8.360 8.533 -0.173 2
1 361 . 1 1 A 48 48 TYR HA H 48 4.212 4.386 -0.174 2
1 368 . 1 1 A 48 48 TYR N N 48 117.771 117.894 -0.123 2
1 369 . 1 1 A 49 49 GLY H H 49 8.614 8.249 0.365 2
1 370 . 1 1 A 49 49 GLY HA2 H 49 3.860 4.014 -0.154 2
1 371 . 1 1 A 49 49 GLY HA3 H 49 3.860 4.033 -0.173 2
1 372 . 1 1 A 49 49 GLY N N 49 105.737 107.923 -2.186 2
1 373 . 1 1 A 50 50 SER H H 50 8.109 7.864 0.245 2
1 374 . 1 1 A 50 50 SER HA H 50 4.304 4.737 -0.433 2
1 377 . 1 1 A 50 50 SER N N 50 116.031 114.821 1.210 2
1 378 . 1 1 A 51 51 MET H H 51 7.911 8.635 -0.724 2
1 379 . 1 1 A 51 51 MET HA H 51 4.380 4.275 0.105 2
1 384 . 1 1 A 51 51 MET N N 51 119.528 120.170 -0.642 2
1 385 . 1 1 A 52 52 GLY H H 52 8.235 7.779 0.456 2
1 386 . 1 1 A 52 52 GLY HA2 H 52 3.863 2.538 1.325 2
1 387 . 1 1 A 52 52 GLY HA3 H 52 3.863 3.460 0.403 2
1 388 . 1 1 A 52 52 GLY N N 52 106.413 106.819 -0.406 2
1 389 . 1 1 A 53 53 GLY H H 53 8.239 7.723 0.516 2
1 390 . 1 1 A 53 53 GLY HA2 H 53 3.706 3.971 -0.265 2
1 391 . 1 1 A 53 53 GLY HA3 H 53 3.706 3.981 -0.275 2
1 392 . 1 1 A 53 53 GLY N N 53 107.655 107.602 0.053 2
1 393 . 1 1 A 54 54 GLY H H 54 8.200 7.804 0.396 2
1 394 . 1 1 A 54 54 GLY HA2 H 54 3.889 4.037 -0.148 2
1 395 . 1 1 A 54 54 GLY HA3 H 54 3.828 4.043 -0.215 2
1 396 . 1 1 A 54 54 GLY N N 54 107.173 108.238 -1.065 2
1 397 . 1 1 A 55 55 SER H H 55 7.995 7.920 0.075 2
1 398 . 1 1 A 55 55 SER HA H 55 4.300 4.324 -0.024 2
1 401 . 1 1 A 55 55 SER N N 55 115.203 115.843 -0.640 2
1 402 . 1 1 A 56 56 LEU H H 56 7.827 7.923 -0.096 2
1 403 . 1 1 A 56 56 LEU HA H 56 4.297 4.129 0.168 2
1 413 . 1 1 A 56 56 LEU N N 56 120.264 118.657 1.607 2
1 414 . 1 1 A 57 57 ARG H H 57 7.792 8.103 -0.311 2
1 415 . 1 1 A 57 57 ARG HA H 57 4.290 4.219 0.071 2
1 423 . 1 1 A 57 57 ARG N N 57 116.558 118.386 -1.828 2
1 425 . 1 1 A 58 58 GLY H H 58 8.062 7.891 0.171 2
1 426 . 1 1 A 58 58 GLY HA2 H 58 3.972 4.030 -0.058 2
1 427 . 1 1 A 58 58 GLY HA3 H 58 3.941 4.036 -0.095 2
1 428 . 1 1 A 58 58 GLY N N 58 106.017 108.206 -2.189 2
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