data_16083_sparta
save_entry_information
_Entry.Sf_category entry_information
_Entry.Sf_framecode entry_information
_Entry.ID 16083
_Entry.PDB_ID 2KCK
_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 10
_Entity_delta_chem_shifts.Best_conformer 1
_Entity_delta_chem_shifts.ID 1
loop_
_Delta_CS.Assigned_chem_shift_list_ID
_Delta_CS.Atom_chem_shift_ID
_Delta_CS.Assembly_atom_ID
_Delta_CS.Conformer_ID
_Delta_CS.Entity_assembly_ID
_Delta_CS.Entity_ID
_Delta_CS.PDB_asym_ID
_Delta_CS.Comp_index_ID
_Delta_CS.Seq_ID
_Delta_CS.Comp_ID
_Delta_CS.Atom_ID
_Delta_CS.Atom_type
_Delta_CS.Auth_seq_ID
_Delta_CS.Original_CS_value
_Delta_CS.Sparta_CS_value
_Delta_CS.Delta_CS_value
_Delta_CS.Entity_delta_chem_shifts_ID
1 1 . 1 1 1 A 6 6 PRO HA H 6 4.310 4.556 -0.246 1
1 8 . 1 1 1 A 6 6 PRO C C 6 177.583 178.100 -0.517 1
1 9 . 1 1 1 A 6 6 PRO CA C 6 65.455 64.078 1.377 1
1 10 . 1 1 1 A 6 6 PRO CB C 6 31.231 32.536 -1.305 1
1 13 . 1 1 1 A 7 7 GLU H H 7 8.058 8.397 -0.339 1
1 14 . 1 1 1 A 7 7 GLU HA H 7 4.314 4.232 0.082 1
1 15 . 1 1 1 A 7 7 GLU C C 7 178.814 179.355 -0.541 1
1 16 . 1 1 1 A 7 7 GLU CA C 7 58.577 59.804 -1.227 1
1 17 . 1 1 1 A 7 7 GLU CB C 7 29.806 29.514 0.292 1
1 18 . 1 1 1 A 7 7 GLU N N 7 116.393 119.839 -3.446 1
1 19 . 1 1 1 A 8 8 GLU H H 8 7.458 8.272 -0.814 1
1 20 . 1 1 1 A 8 8 GLU HA H 8 4.029 4.343 -0.314 1
1 21 . 1 1 1 A 8 8 GLU C C 8 179.794 179.025 0.769 1
1 22 . 1 1 1 A 8 8 GLU CA C 8 59.369 59.058 0.311 1
1 23 . 1 1 1 A 8 8 GLU CB C 8 29.455 29.522 -0.067 1
1 24 . 1 1 1 A 8 8 GLU N N 8 117.887 119.798 -1.911 1
1 25 . 1 1 1 A 9 9 TYR H H 9 6.889 8.620 -1.731 1
1 26 . 1 1 1 A 9 9 TYR HA H 9 4.301 4.369 -0.068 1
1 33 . 1 1 1 A 9 9 TYR C C 9 177.756 178.199 -0.443 1
1 34 . 1 1 1 A 9 9 TYR CA C 9 60.754 60.436 0.318 1
1 35 . 1 1 1 A 9 9 TYR CB C 9 37.319 37.766 -0.447 1
1 36 . 1 1 1 A 9 9 TYR N N 9 117.876 119.589 -1.713 1
1 37 . 1 1 1 A 10 10 TYR H H 10 8.138 8.413 -0.275 1
1 38 . 1 1 1 A 10 10 TYR HA H 10 4.018 4.475 -0.457 1
1 45 . 1 1 1 A 10 10 TYR C C 10 176.231 177.409 -1.178 1
1 46 . 1 1 1 A 10 10 TYR CA C 10 62.031 60.094 1.937 1
1 47 . 1 1 1 A 10 10 TYR CB C 10 38.951 37.270 1.681 1
1 48 . 1 1 1 A 10 10 TYR N N 10 118.874 120.224 -1.350 1
1 49 . 1 1 1 A 11 11 LEU H H 11 8.597 7.554 1.043 1
1 50 . 1 1 1 A 11 11 LEU HA H 11 3.797 3.334 0.463 1
1 60 . 1 1 1 A 11 11 LEU C C 11 180.257 178.415 1.842 1
1 61 . 1 1 1 A 11 11 LEU CA C 11 58.295 57.097 1.198 1
1 62 . 1 1 1 A 11 11 LEU CB C 11 41.541 41.112 0.429 1
1 66 . 1 1 1 A 11 11 LEU N N 11 119.267 119.332 -0.065 1
1 67 . 1 1 1 A 12 12 GLU H H 12 7.640 8.067 -0.427 1
1 68 . 1 1 1 A 12 12 GLU HA H 12 4.033 3.913 0.120 1
1 69 . 1 1 1 A 12 12 GLU C C 12 179.050 179.179 -0.129 1
1 70 . 1 1 1 A 12 12 GLU CA C 12 59.137 59.559 -0.422 1
1 71 . 1 1 1 A 12 12 GLU CB C 12 29.351 28.980 0.371 1
1 72 . 1 1 1 A 12 12 GLU N N 12 119.459 118.953 0.506 1
1 73 . 1 1 1 A 13 13 GLY H H 13 8.624 8.212 0.412 1
1 74 . 1 1 1 A 13 13 GLY HA2 H 13 3.083 3.789 -0.706 1
1 75 . 1 1 1 A 13 13 GLY HA3 H 13 2.863 3.837 -0.974 1
1 76 . 1 1 1 A 13 13 GLY C C 13 175.651 176.702 -1.051 1
1 77 . 1 1 1 A 13 13 GLY CA C 13 48.592 47.233 1.359 1
1 78 . 1 1 1 A 13 13 GLY N N 13 110.175 107.688 2.487 1
1 79 . 1 1 1 A 14 14 VAL H H 14 8.757 7.561 1.196 1
1 80 . 1 1 1 A 14 14 VAL HA H 14 3.532 3.683 -0.151 1
1 88 . 1 1 1 A 14 14 VAL C C 14 177.103 177.478 -0.375 1
1 89 . 1 1 1 A 14 14 VAL CA C 14 67.661 65.811 1.850 1
1 90 . 1 1 1 A 14 14 VAL CB C 14 31.430 31.697 -0.267 1
1 93 . 1 1 1 A 14 14 VAL N N 14 124.361 121.498 2.863 1
1 94 . 1 1 1 A 15 15 LEU H H 15 7.555 8.155 -0.600 1
1 95 . 1 1 1 A 15 15 LEU HA H 15 4.089 3.871 0.218 1
1 105 . 1 1 1 A 15 15 LEU C C 15 181.353 178.720 2.633 1
1 106 . 1 1 1 A 15 15 LEU CA C 15 58.775 57.959 0.816 1
1 107 . 1 1 1 A 15 15 LEU CB C 15 39.871 41.725 -1.854 1
1 111 . 1 1 1 A 15 15 LEU N N 15 119.975 119.691 0.284 1
1 112 . 1 1 1 A 16 16 GLN H H 16 7.878 7.769 0.109 1
1 113 . 1 1 1 A 16 16 GLN C C 16 177.675 177.729 -0.054 1
1 114 . 1 1 1 A 16 16 GLN CA C 16 58.023 59.279 -1.256 1
1 115 . 1 1 1 A 16 16 GLN CB C 16 27.162 28.724 -1.562 1
1 116 . 1 1 1 A 16 16 GLN N N 16 117.171 117.709 -0.538 1
1 117 . 1 1 1 A 17 17 TYR H H 17 9.044 7.888 1.156 1
1 118 . 1 1 1 A 17 17 TYR HA H 17 3.637 4.308 -0.671 1
1 125 . 1 1 1 A 17 17 TYR C C 17 179.591 177.950 1.641 1
1 126 . 1 1 1 A 17 17 TYR CA C 17 62.233 60.993 1.240 1
1 127 . 1 1 1 A 17 17 TYR CB C 17 38.759 38.373 0.386 1
1 128 . 1 1 1 A 17 17 TYR N N 17 124.139 119.782 4.357 1
1 129 . 1 1 1 A 18 18 ASP H H 18 9.408 8.935 0.473 1
1 130 . 1 1 1 A 18 18 ASP HA H 18 4.392 4.474 -0.082 1
1 133 . 1 1 1 A 18 18 ASP C C 18 177.432 177.519 -0.087 1
1 134 . 1 1 1 A 18 18 ASP CA C 18 57.155 56.719 0.436 1
1 135 . 1 1 1 A 18 18 ASP CB C 18 39.901 40.842 -0.941 1
1 136 . 1 1 1 A 18 18 ASP N N 18 122.934 119.441 3.493 1
1 137 . 1 1 1 A 19 19 ALA H H 19 7.264 7.765 -0.501 1
1 138 . 1 1 1 A 19 19 ALA HA H 19 4.294 4.198 0.096 1
1 142 . 1 1 1 A 19 19 ALA C C 19 177.336 177.405 -0.069 1
1 143 . 1 1 1 A 19 19 ALA CA C 19 52.171 51.724 0.447 1
1 144 . 1 1 1 A 19 19 ALA CB C 19 18.870 18.563 0.307 1
1 145 . 1 1 1 A 19 19 ALA N N 19 119.827 120.509 -0.682 1
1 146 . 1 1 1 A 20 20 GLY H H 20 7.667 8.744 -1.077 1
1 147 . 1 1 1 A 20 20 GLY HA2 H 20 3.844 3.674 0.170 1
1 148 . 1 1 1 A 20 20 GLY HA3 H 20 2.653 3.699 -1.046 1
1 149 . 1 1 1 A 20 20 GLY C C 20 173.498 172.910 0.588 1
1 150 . 1 1 1 A 20 20 GLY CA C 20 44.003 47.154 -3.151 1
1 151 . 1 1 1 A 20 20 GLY N N 20 106.574 111.934 -5.360 1
1 152 . 1 1 1 A 21 21 ASN H H 21 7.998 8.226 -0.228 1
1 153 . 1 1 1 A 21 21 ASN HA H 21 4.884 4.533 0.351 1
1 156 . 1 1 1 A 21 21 ASN C C 21 175.654 173.689 1.965 1
1 157 . 1 1 1 A 21 21 ASN CA C 21 50.397 51.548 -1.151 1
1 158 . 1 1 1 A 21 21 ASN CB C 21 35.866 38.383 -2.517 1
1 159 . 1 1 1 A 21 21 ASN N N 21 121.852 120.680 1.172 1
1 160 . 1 1 1 A 22 22 TYR H H 22 7.024 6.956 0.068 1
1 161 . 1 1 1 A 22 22 TYR HA H 22 4.203 4.126 0.077 1
1 166 . 1 1 1 A 22 22 TYR C C 22 179.639 177.497 2.142 1
1 167 . 1 1 1 A 22 22 TYR CA C 22 61.732 61.035 0.697 1
1 168 . 1 1 1 A 22 22 TYR CB C 22 37.840 38.101 -0.261 1
1 169 . 1 1 1 A 22 22 TYR N N 22 119.554 123.652 -4.098 1
1 170 . 1 1 1 A 23 23 THR H H 23 9.025 8.385 0.640 1
1 171 . 1 1 1 A 23 23 THR HA H 23 3.742 4.067 -0.325 1
1 176 . 1 1 1 A 23 23 THR C C 23 176.384 176.022 0.362 1
1 177 . 1 1 1 A 23 23 THR CA C 23 67.528 67.531 -0.003 1
1 178 . 1 1 1 A 23 23 THR CB C 23 67.962 68.525 -0.563 1
1 180 . 1 1 1 A 23 23 THR N N 23 117.377 115.983 1.394 1
1 181 . 1 1 1 A 24 24 GLU H H 24 8.762 8.651 0.111 1
1 182 . 1 1 1 A 24 24 GLU HA H 24 3.959 3.937 0.022 1
1 183 . 1 1 1 A 24 24 GLU C C 24 179.843 178.969 0.874 1
1 184 . 1 1 1 A 24 24 GLU CA C 24 60.243 59.715 0.528 1
1 185 . 1 1 1 A 24 24 GLU CB C 24 28.510 29.603 -1.093 1
1 186 . 1 1 1 A 24 24 GLU N N 24 123.212 122.220 0.992 1
1 187 . 1 1 1 A 25 25 SER H H 25 8.152 8.039 0.113 1
1 188 . 1 1 1 A 25 25 SER HA H 25 4.057 4.295 -0.238 1
1 190 . 1 1 1 A 25 25 SER C C 25 174.017 176.779 -2.762 1
1 191 . 1 1 1 A 25 25 SER CA C 25 62.319 61.567 0.752 1
1 192 . 1 1 1 A 25 25 SER CB C 25 62.345 62.694 -0.349 1
1 193 . 1 1 1 A 25 25 SER N N 25 115.914 115.525 0.389 1
1 194 . 1 1 1 A 26 26 ILE H H 26 7.593 8.084 -0.491 1
1 195 . 1 1 1 A 26 26 ILE HA H 26 3.560 3.902 -0.342 1
1 204 . 1 1 1 A 26 26 ILE C C 26 176.788 177.662 -0.874 1
1 205 . 1 1 1 A 26 26 ILE CA C 26 66.713 64.029 2.684 1
1 206 . 1 1 1 A 26 26 ILE CB C 26 36.519 37.391 -0.872 1
1 210 . 1 1 1 A 26 26 ILE N N 26 122.676 123.800 -1.124 1
1 211 . 1 1 1 A 27 27 ASP H H 27 6.944 8.353 -1.409 1
1 212 . 1 1 1 A 27 27 ASP HA H 27 4.239 4.576 -0.337 1
1 214 . 1 1 1 A 27 27 ASP C C 27 178.538 179.384 -0.846 1
1 215 . 1 1 1 A 27 27 ASP CA C 27 57.449 57.202 0.247 1
1 216 . 1 1 1 A 27 27 ASP CB C 27 40.758 40.826 -0.068 1
1 217 . 1 1 1 A 27 27 ASP N N 27 118.062 121.772 -3.710 1
1 218 . 1 1 1 A 28 28 LEU H H 28 6.971 8.428 -1.457 1
1 219 . 1 1 1 A 28 28 LEU HA H 28 3.776 4.151 -0.375 1
1 229 . 1 1 1 A 28 28 LEU C C 28 178.716 179.427 -0.711 1
1 230 . 1 1 1 A 28 28 LEU CA C 28 58.135 57.977 0.158 1
1 231 . 1 1 1 A 28 28 LEU CB C 28 40.491 42.194 -1.703 1
1 235 . 1 1 1 A 28 28 LEU N N 28 120.290 120.776 -0.486 1
1 236 . 1 1 1 A 29 29 PHE H H 29 8.520 8.975 -0.455 1
1 237 . 1 1 1 A 29 29 PHE HA H 29 4.324 3.866 0.458 1
1 240 . 1 1 1 A 29 29 PHE C C 29 178.284 177.144 1.140 1
1 241 . 1 1 1 A 29 29 PHE CA C 29 59.548 62.137 -2.589 1
1 242 . 1 1 1 A 29 29 PHE CB C 29 37.576 38.981 -1.405 1
1 243 . 1 1 1 A 29 29 PHE N N 29 118.434 119.127 -0.693 1
1 244 . 1 1 1 A 30 30 GLU H H 30 8.779 8.847 -0.068 1
1 245 . 1 1 1 A 30 30 GLU HA H 30 3.795 3.686 0.109 1
1 246 . 1 1 1 A 30 30 GLU C C 30 178.966 179.057 -0.091 1
1 247 . 1 1 1 A 30 30 GLU CA C 30 59.452 59.783 -0.331 1
1 248 . 1 1 1 A 30 30 GLU CB C 30 29.049 29.308 -0.259 1
1 249 . 1 1 1 A 30 30 GLU N N 30 117.548 117.250 0.298 1
1 250 . 1 1 1 A 31 31 LYS H H 31 7.318 7.632 -0.314 1
1 251 . 1 1 1 A 31 31 LYS HA H 31 3.668 3.907 -0.239 1
1 259 . 1 1 1 A 31 31 LYS C C 31 178.665 178.722 -0.057 1
1 260 . 1 1 1 A 31 31 LYS CA C 31 59.401 59.151 0.250 1
1 261 . 1 1 1 A 31 31 LYS CB C 31 31.113 32.199 -1.086 1
1 264 . 1 1 1 A 31 31 LYS N N 31 120.410 119.347 1.063 1
1 265 . 1 1 1 A 32 32 ALA H H 32 7.311 7.936 -0.625 1
1 266 . 1 1 1 A 32 32 ALA HA H 32 3.859 3.678 0.181 1
1 270 . 1 1 1 A 32 32 ALA C C 32 178.384 179.563 -1.179 1
1 271 . 1 1 1 A 32 32 ALA CA C 32 54.697 54.905 -0.208 1
1 272 . 1 1 1 A 32 32 ALA CB C 32 15.999 18.328 -2.329 1
1 273 . 1 1 1 A 32 32 ALA N N 32 121.277 121.912 -0.635 1
1 274 . 1 1 1 A 33 33 ILE H H 33 8.114 7.511 0.603 1
1 275 . 1 1 1 A 33 33 ILE HA H 33 3.469 3.287 0.182 1
1 285 . 1 1 1 A 33 33 ILE C C 33 176.970 177.643 -0.673 1
1 286 . 1 1 1 A 33 33 ILE CA C 33 64.857 65.155 -0.298 1
1 287 . 1 1 1 A 33 33 ILE CB C 33 38.669 37.264 1.405 1
1 291 . 1 1 1 A 33 33 ILE N N 33 118.905 117.571 1.334 1
1 292 . 1 1 1 A 34 34 GLN H H 34 7.790 7.873 -0.083 1
1 293 . 1 1 1 A 34 34 GLN HA H 34 3.853 3.861 -0.008 1
1 296 . 1 1 1 A 34 34 GLN C C 34 178.320 178.322 -0.002 1
1 297 . 1 1 1 A 34 34 GLN CA C 34 57.696 58.752 -1.056 1
1 298 . 1 1 1 A 34 34 GLN CB C 34 28.457 28.489 -0.032 1
1 299 . 1 1 1 A 34 34 GLN N N 34 115.405 120.216 -4.811 1
1 300 . 1 1 1 A 35 35 LEU H H 35 7.092 7.053 0.039 1
1 301 . 1 1 1 A 35 35 LEU HA H 35 4.354 3.986 0.368 1
1 311 . 1 1 1 A 35 35 LEU C C 35 177.841 177.522 0.319 1
1 312 . 1 1 1 A 35 35 LEU CA C 35 56.273 56.929 -0.656 1
1 313 . 1 1 1 A 35 35 LEU CB C 35 43.490 41.769 1.721 1
1 317 . 1 1 1 A 35 35 LEU N N 35 116.678 118.685 -2.007 1
1 318 . 1 1 1 A 36 36 ASP H H 36 8.367 7.610 0.757 1
1 319 . 1 1 1 A 36 36 ASP CA C 36 52.138 51.828 0.310 1
1 320 . 1 1 1 A 36 36 ASP CB C 36 41.549 42.856 -1.307 1
1 321 . 1 1 1 A 36 36 ASP N N 36 117.682 114.126 3.556 1
1 322 . 1 1 1 A 37 37 PRO HA H 37 4.940 4.816 0.124 1
1 329 . 1 1 1 A 37 37 PRO C C 37 178.088 176.858 1.230 1
1 330 . 1 1 1 A 37 37 PRO CA C 37 64.272 62.349 1.923 1
1 331 . 1 1 1 A 37 37 PRO CB C 37 32.155 32.024 0.131 1
1 334 . 1 1 1 A 38 38 GLU H H 38 7.853 8.702 -0.849 1
1 335 . 1 1 1 A 38 38 GLU HA H 38 4.436 4.673 -0.237 1
1 337 . 1 1 1 A 38 38 GLU C C 38 174.874 175.913 -1.039 1
1 338 . 1 1 1 A 38 38 GLU CA C 38 56.200 56.506 -0.306 1
1 339 . 1 1 1 A 38 38 GLU CB C 38 29.589 31.508 -1.919 1
1 340 . 1 1 1 A 38 38 GLU N N 38 116.933 118.748 -1.815 1
1 341 . 1 1 1 A 39 39 GLU H H 39 6.992 7.937 -0.945 1
1 342 . 1 1 1 A 39 39 GLU HA H 39 4.313 4.475 -0.162 1
1 343 . 1 1 1 A 39 39 GLU C C 39 176.082 176.453 -0.371 1
1 344 . 1 1 1 A 39 39 GLU CA C 39 54.591 55.520 -0.929 1
1 345 . 1 1 1 A 39 39 GLU CB C 39 29.177 30.064 -0.887 1
1 346 . 1 1 1 A 39 39 GLU N N 39 119.900 122.358 -2.458 1
1 347 . 1 1 1 A 40 40 SER H H 40 8.458 9.148 -0.690 1
1 348 . 1 1 1 A 40 40 SER HA H 40 4.103 4.437 -0.334 1
1 350 . 1 1 1 A 40 40 SER C C 40 176.323 177.085 -0.762 1
1 351 . 1 1 1 A 40 40 SER CA C 40 61.929 61.554 0.375 1
1 352 . 1 1 1 A 40 40 SER CB C 40 63.232 63.094 0.138 1
1 353 . 1 1 1 A 40 40 SER N N 40 125.619 122.319 3.300 1
1 354 . 1 1 1 A 41 41 LYS H H 41 9.248 8.327 0.921 1
1 355 . 1 1 1 A 41 41 LYS HA H 41 4.068 4.082 -0.014 1
1 358 . 1 1 1 A 41 41 LYS C C 41 177.520 178.450 -0.930 1
1 359 . 1 1 1 A 41 41 LYS CA C 41 59.259 59.653 -0.394 1
1 360 . 1 1 1 A 41 41 LYS CB C 41 31.161 32.392 -1.231 1
1 361 . 1 1 1 A 41 41 LYS N N 41 119.120 121.518 -2.398 1
1 362 . 1 1 1 A 42 42 TYR H H 42 6.924 8.175 -1.251 1
1 363 . 1 1 1 A 42 42 TYR HA H 42 4.301 4.381 -0.080 1
1 368 . 1 1 1 A 42 42 TYR C C 42 177.269 178.231 -0.962 1
1 369 . 1 1 1 A 42 42 TYR CA C 42 57.603 60.562 -2.959 1
1 370 . 1 1 1 A 42 42 TYR CB C 42 37.063 38.429 -1.366 1
1 371 . 1 1 1 A 42 42 TYR N N 42 118.666 117.929 0.737 1
1 372 . 1 1 1 A 43 43 TRP H H 43 6.662 8.569 -1.907 1
1 373 . 1 1 1 A 43 43 TRP HA H 43 3.910 4.706 -0.796 1
1 378 . 1 1 1 A 43 43 TRP C C 43 178.823 178.867 -0.044 1
1 379 . 1 1 1 A 43 43 TRP CA C 43 59.953 60.285 -0.332 1
1 380 . 1 1 1 A 43 43 TRP CB C 43 30.759 29.823 0.936 1
1 381 . 1 1 1 A 43 43 TRP N N 43 118.990 120.649 -1.659 1
1 383 . 1 1 1 A 44 44 LEU H H 44 8.412 8.519 -0.107 1
1 384 . 1 1 1 A 44 44 LEU HA H 44 4.112 4.135 -0.023 1
1 394 . 1 1 1 A 44 44 LEU C C 44 177.758 178.754 -0.996 1
1 395 . 1 1 1 A 44 44 LEU CA C 44 58.613 58.193 0.420 1
1 396 . 1 1 1 A 44 44 LEU CB C 44 42.004 41.546 0.458 1
1 400 . 1 1 1 A 44 44 LEU N N 44 118.970 121.994 -3.024 1
1 401 . 1 1 1 A 45 45 MET H H 45 7.403 8.443 -1.040 1
1 402 . 1 1 1 A 45 45 MET HA H 45 4.270 4.114 0.156 1
1 403 . 1 1 1 A 45 45 MET C C 45 177.749 177.860 -0.111 1
1 404 . 1 1 1 A 45 45 MET CA C 45 55.159 58.389 -3.230 1
1 405 . 1 1 1 A 45 45 MET CB C 45 26.925 31.663 -4.738 1
1 406 . 1 1 1 A 45 45 MET N N 45 113.618 119.514 -5.896 1
1 407 . 1 1 1 A 46 46 LYS H H 46 7.623 7.499 0.124 1
1 408 . 1 1 1 A 46 46 LYS HA H 46 3.906 3.579 0.327 1
1 409 . 1 1 1 A 46 46 LYS C C 46 178.056 179.193 -1.137 1
1 410 . 1 1 1 A 46 46 LYS CA C 46 61.394 59.602 1.792 1
1 411 . 1 1 1 A 46 46 LYS CB C 46 32.442 31.969 0.473 1
1 412 . 1 1 1 A 46 46 LYS N N 46 119.840 119.483 0.357 1
1 413 . 1 1 1 A 47 47 GLY H H 47 8.495 8.226 0.269 1
1 414 . 1 1 1 A 47 47 GLY HA2 H 47 3.730 3.832 -0.102 1
1 415 . 1 1 1 A 47 47 GLY HA3 H 47 3.612 3.843 -0.231 1
1 416 . 1 1 1 A 47 47 GLY C C 47 175.340 175.776 -0.436 1
1 417 . 1 1 1 A 47 47 GLY CA C 47 47.689 47.501 0.188 1
1 418 . 1 1 1 A 47 47 GLY N N 47 105.741 107.471 -1.730 1
1 419 . 1 1 1 A 48 48 LYS H H 48 8.760 7.666 1.094 1
1 420 . 1 1 1 A 48 48 LYS HA H 48 3.969 4.142 -0.173 1
1 428 . 1 1 1 A 48 48 LYS C C 48 180.425 179.256 1.169 1
1 429 . 1 1 1 A 48 48 LYS CA C 48 60.506 59.838 0.668 1
1 430 . 1 1 1 A 48 48 LYS CB C 48 30.964 32.210 -1.246 1
1 433 . 1 1 1 A 48 48 LYS N N 48 122.568 121.734 0.834 1
1 434 . 1 1 1 A 49 49 ALA H H 49 8.668 7.631 1.037 1
1 435 . 1 1 1 A 49 49 ALA HA H 49 4.084 3.916 0.168 1
1 439 . 1 1 1 A 49 49 ALA C C 49 178.870 179.873 -1.003 1
1 440 . 1 1 1 A 49 49 ALA CA C 49 55.777 55.023 0.754 1
1 441 . 1 1 1 A 49 49 ALA CB C 49 17.702 18.488 -0.786 1
1 442 . 1 1 1 A 49 49 ALA N N 49 124.484 122.167 2.317 1
1 443 . 1 1 1 A 50 50 LEU H H 50 8.192 8.410 -0.218 1
1 444 . 1 1 1 A 50 50 LEU HA H 50 3.771 3.866 -0.095 1
1 454 . 1 1 1 A 50 50 LEU C C 50 179.839 178.813 1.026 1
1 455 . 1 1 1 A 50 50 LEU CA C 50 58.727 57.753 0.974 1
1 456 . 1 1 1 A 50 50 LEU CB C 50 40.549 42.342 -1.793 1
1 460 . 1 1 1 A 50 50 LEU N N 50 118.843 118.112 0.731 1
1 461 . 1 1 1 A 51 51 TYR H H 51 9.282 8.735 0.547 1
1 462 . 1 1 1 A 51 51 TYR HA H 51 3.557 3.837 -0.280 1
1 469 . 1 1 1 A 51 51 TYR C C 51 179.177 178.022 1.155 1
1 470 . 1 1 1 A 51 51 TYR CA C 51 61.878 62.303 -0.425 1
1 471 . 1 1 1 A 51 51 TYR CB C 51 38.249 38.606 -0.357 1
1 472 . 1 1 1 A 51 51 TYR N N 51 122.719 119.443 3.276 1
1 473 . 1 1 1 A 52 52 ASN H H 52 7.882 7.991 -0.109 1
1 474 . 1 1 1 A 52 52 ASN HA H 52 4.084 3.776 0.308 1
1 477 . 1 1 1 A 52 52 ASN C C 52 175.615 176.786 -1.171 1
1 478 . 1 1 1 A 52 52 ASN CA C 52 55.964 55.672 0.292 1
1 479 . 1 1 1 A 52 52 ASN CB C 52 37.219 38.983 -1.764 1
1 480 . 1 1 1 A 52 52 ASN N N 52 120.327 117.560 2.767 1
1 481 . 1 1 1 A 53 53 LEU H H 53 7.178 7.265 -0.087 1
1 482 . 1 1 1 A 53 53 LEU HA H 53 4.299 3.964 0.335 1
1 492 . 1 1 1 A 53 53 LEU C C 53 175.095 176.110 -1.015 1
1 493 . 1 1 1 A 53 53 LEU CA C 53 54.112 54.550 -0.438 1
1 494 . 1 1 1 A 53 53 LEU CB C 53 42.548 41.733 0.815 1
1 498 . 1 1 1 A 53 53 LEU N N 53 119.827 117.095 2.732 1
1 499 . 1 1 1 A 54 54 GLU H H 54 7.515 7.687 -0.172 1
1 500 . 1 1 1 A 54 54 GLU C C 54 175.118 175.291 -0.173 1
1 501 . 1 1 1 A 54 54 GLU CA C 54 56.811 57.533 -0.722 1
1 502 . 1 1 1 A 54 54 GLU CB C 54 25.944 29.148 -3.204 1
1 503 . 1 1 1 A 54 54 GLU N N 54 112.799 117.494 -4.695 1
1 504 . 1 1 1 A 55 55 ARG H H 55 7.719 7.816 -0.097 1
1 505 . 1 1 1 A 55 55 ARG HA H 55 4.407 4.432 -0.025 1
1 512 . 1 1 1 A 55 55 ARG C C 55 176.820 176.144 0.676 1
1 513 . 1 1 1 A 55 55 ARG CA C 55 54.493 53.642 0.851 1
1 514 . 1 1 1 A 55 55 ARG CB C 55 29.041 28.033 1.008 1
1 517 . 1 1 1 A 55 55 ARG N N 55 122.369 119.029 3.340 1
1 518 . 1 1 1 A 56 56 TYR H H 56 6.403 7.137 -0.734 1
1 519 . 1 1 1 A 56 56 TYR HA H 56 3.879 4.185 -0.306 1
1 526 . 1 1 1 A 56 56 TYR C C 56 177.879 178.252 -0.373 1
1 527 . 1 1 1 A 56 56 TYR CA C 56 62.080 61.080 1.000 1
1 528 . 1 1 1 A 56 56 TYR CB C 56 38.443 38.007 0.436 1
1 529 . 1 1 1 A 56 56 TYR N N 56 117.128 120.497 -3.369 1
1 530 . 1 1 1 A 57 57 GLU H H 57 9.032 8.499 0.533 1
1 531 . 1 1 1 A 57 57 GLU HA H 57 3.865 3.994 -0.129 1
1 532 . 1 1 1 A 57 57 GLU C C 57 179.417 179.052 0.365 1
1 533 . 1 1 1 A 57 57 GLU CA C 57 60.722 59.774 0.948 1
1 534 . 1 1 1 A 57 57 GLU CB C 57 29.124 29.128 -0.004 1
1 535 . 1 1 1 A 57 57 GLU N N 57 118.981 120.408 -1.427 1
1 536 . 1 1 1 A 58 58 GLU H H 58 8.286 8.259 0.027 1
1 537 . 1 1 1 A 58 58 GLU HA H 58 4.050 4.296 -0.246 1
1 538 . 1 1 1 A 58 58 GLU C C 58 179.476 178.423 1.053 1
1 539 . 1 1 1 A 58 58 GLU CA C 58 59.289 59.549 -0.260 1
1 540 . 1 1 1 A 58 58 GLU CB C 58 31.234 29.521 1.713 1
1 541 . 1 1 1 A 58 58 GLU N N 58 119.123 119.328 -0.205 1
1 542 . 1 1 1 A 59 59 ALA H H 59 8.131 8.477 -0.346 1
1 543 . 1 1 1 A 59 59 ALA HA H 59 3.786 4.070 -0.284 1
1 547 . 1 1 1 A 59 59 ALA C C 59 178.281 180.294 -2.013 1
1 548 . 1 1 1 A 59 59 ALA CA C 59 56.324 55.427 0.897 1
1 549 . 1 1 1 A 59 59 ALA CB C 59 17.444 18.152 -0.708 1
1 550 . 1 1 1 A 59 59 ALA N N 59 124.009 122.438 1.571 1
1 551 . 1 1 1 A 60 60 VAL H H 60 8.079 7.807 0.272 1
1 552 . 1 1 1 A 60 60 VAL HA H 60 3.439 3.439 0.000 1
1 560 . 1 1 1 A 60 60 VAL C C 60 177.323 177.735 -0.412 1
1 561 . 1 1 1 A 60 60 VAL CA C 60 67.410 66.846 0.564 1
1 562 . 1 1 1 A 60 60 VAL CB C 60 31.259 31.492 -0.233 1
1 565 . 1 1 1 A 60 60 VAL N N 60 116.647 118.186 -1.539 1
1 566 . 1 1 1 A 61 61 ASP H H 61 7.737 8.166 -0.429 1
1 567 . 1 1 1 A 61 61 ASP HA H 61 4.446 4.370 0.076 1
1 570 . 1 1 1 A 61 61 ASP C C 61 179.986 179.081 0.905 1
1 571 . 1 1 1 A 61 61 ASP CA C 61 58.123 57.741 0.382 1
1 572 . 1 1 1 A 61 61 ASP CB C 61 40.160 40.434 -0.274 1
1 573 . 1 1 1 A 61 61 ASP N N 61 119.276 120.062 -0.786 1
1 574 . 1 1 1 A 62 62 CYS H H 62 7.387 7.972 -0.585 1
1 575 . 1 1 1 A 62 62 CYS HA H 62 4.337 4.106 0.231 1
1 578 . 1 1 1 A 62 62 CYS C C 62 176.276 176.690 -0.414 1
1 579 . 1 1 1 A 62 62 CYS CA C 62 63.585 63.791 -0.206 1
1 580 . 1 1 1 A 62 62 CYS CB C 62 26.441 28.145 -1.704 1
1 581 . 1 1 1 A 62 62 CYS N N 62 118.794 118.490 0.304 1
1 582 . 1 1 1 A 63 63 TYR H H 63 7.391 8.264 -0.873 1
1 583 . 1 1 1 A 63 63 TYR HA H 63 4.249 4.030 0.219 1
1 588 . 1 1 1 A 63 63 TYR C C 63 178.113 177.491 0.622 1
1 589 . 1 1 1 A 63 63 TYR CA C 63 57.994 61.783 -3.789 1
1 590 . 1 1 1 A 63 63 TYR CB C 63 36.288 38.468 -2.180 1
1 591 . 1 1 1 A 63 63 TYR N N 63 119.775 122.145 -2.370 1
1 592 . 1 1 1 A 64 64 ASN H H 64 9.121 8.697 0.424 1
1 593 . 1 1 1 A 64 64 ASN HA H 64 4.328 4.249 0.079 1
1 596 . 1 1 1 A 64 64 ASN C C 64 177.346 177.104 0.242 1
1 597 . 1 1 1 A 64 64 ASN CA C 64 54.809 56.087 -1.278 1
1 598 . 1 1 1 A 64 64 ASN CB C 64 36.904 38.516 -1.612 1
1 599 . 1 1 1 A 64 64 ASN N N 64 117.343 117.679 -0.336 1
1 600 . 1 1 1 A 65 65 TYR H H 65 7.635 7.806 -0.171 1
1 601 . 1 1 1 A 65 65 TYR HA H 65 3.660 3.999 -0.339 1
1 608 . 1 1 1 A 65 65 TYR C C 65 178.599 176.802 1.797 1
1 609 . 1 1 1 A 65 65 TYR CA C 65 62.267 61.169 1.098 1
1 610 . 1 1 1 A 65 65 TYR CB C 65 37.886 38.328 -0.442 1
1 611 . 1 1 1 A 65 65 TYR N N 65 124.181 121.212 2.969 1
1 612 . 1 1 1 A 66 66 VAL H H 66 7.093 8.360 -1.267 1
1 613 . 1 1 1 A 66 66 VAL HA H 66 3.316 3.491 -0.175 1
1 621 . 1 1 1 A 66 66 VAL C C 66 177.070 177.774 -0.704 1
1 622 . 1 1 1 A 66 66 VAL CA C 66 65.944 66.106 -0.162 1
1 623 . 1 1 1 A 66 66 VAL CB C 66 31.613 31.625 -0.012 1
1 626 . 1 1 1 A 66 66 VAL N N 66 119.247 118.957 0.290 1
1 627 . 1 1 1 A 67 67 ILE H H 67 7.640 7.126 0.514 1
1 628 . 1 1 1 A 67 67 ILE HA H 67 3.056 3.893 -0.837 1
1 638 . 1 1 1 A 67 67 ILE C C 67 176.822 178.201 -1.379 1
1 639 . 1 1 1 A 67 67 ILE CA C 67 64.902 63.023 1.879 1
1 640 . 1 1 1 A 67 67 ILE CB C 67 39.444 37.661 1.783 1
1 644 . 1 1 1 A 67 67 ILE N N 67 117.814 119.939 -2.125 1
1 645 . 1 1 1 A 68 68 ASN H H 68 8.587 8.298 0.289 1
1 646 . 1 1 1 A 68 68 ASN HA H 68 4.564 4.404 0.160 1
1 649 . 1 1 1 A 68 68 ASN C C 68 176.007 177.533 -1.526 1
1 650 . 1 1 1 A 68 68 ASN CA C 68 54.569 55.744 -1.175 1
1 651 . 1 1 1 A 68 68 ASN CB C 68 39.424 38.776 0.648 1
1 652 . 1 1 1 A 68 68 ASN N N 68 112.692 120.666 -7.974 1
1 653 . 1 1 1 A 69 69 VAL H H 69 7.607 7.562 0.045 1
1 654 . 1 1 1 A 69 69 VAL HA H 69 3.813 3.459 0.354 1
1 661 . 1 1 1 A 69 69 VAL C C 69 177.490 175.622 1.868 1
1 662 . 1 1 1 A 69 69 VAL CA C 69 64.763 65.944 -1.181 1
1 663 . 1 1 1 A 69 69 VAL CB C 69 30.804 31.543 -0.739 1
1 666 . 1 1 1 A 69 69 VAL N N 69 119.569 118.471 1.098 1
1 667 . 1 1 1 A 70 70 ILE H H 70 7.489 7.852 -0.363 1
1 668 . 1 1 1 A 70 70 ILE HA H 70 3.635 4.417 -0.782 1
1 678 . 1 1 1 A 70 70 ILE C C 70 176.523 175.693 0.830 1
1 679 . 1 1 1 A 70 70 ILE CA C 70 64.090 60.133 3.957 1
1 680 . 1 1 1 A 70 70 ILE CB C 70 37.026 39.058 -2.032 1
1 684 . 1 1 1 A 70 70 ILE N N 70 119.276 119.522 -0.246 1
1 685 . 1 1 1 A 71 71 GLU H H 71 6.641 9.016 -2.375 1
1 686 . 1 1 1 A 71 71 GLU HA H 71 3.865 4.363 -0.498 1
1 690 . 1 1 1 A 71 71 GLU C C 71 176.415 176.490 -0.075 1
1 691 . 1 1 1 A 71 71 GLU CA C 71 57.229 56.748 0.481 1
1 692 . 1 1 1 A 71 71 GLU CB C 71 26.142 29.908 -3.766 1
1 694 . 1 1 1 A 71 71 GLU N N 71 110.179 126.562 -16.383 1
1 695 . 1 1 1 A 72 72 ASP H H 72 7.744 7.769 -0.025 1
1 696 . 1 1 1 A 72 72 ASP HA H 72 4.813 4.700 0.113 1
1 699 . 1 1 1 A 72 72 ASP C C 72 176.230 175.603 0.627 1
1 700 . 1 1 1 A 72 72 ASP CA C 72 52.203 52.699 -0.496 1
1 701 . 1 1 1 A 72 72 ASP CB C 72 39.256 38.894 0.362 1
1 702 . 1 1 1 A 72 72 ASP N N 72 121.733 121.733 0.000 1
1 703 . 1 1 1 A 73 73 GLU H H 73 7.510 8.319 -0.809 1
1 704 . 1 1 1 A 73 73 GLU HA H 73 3.946 4.483 -0.537 1
1 709 . 1 1 1 A 73 73 GLU C C 73 176.745 175.890 0.855 1
1 710 . 1 1 1 A 73 73 GLU CA C 73 58.303 56.000 2.303 1
1 711 . 1 1 1 A 73 73 GLU CB C 73 30.664 28.444 2.220 1
1 713 . 1 1 1 A 73 73 GLU N N 73 116.724 123.418 -6.694 1
1 714 . 1 1 1 A 74 74 TYR H H 74 8.794 8.480 0.314 1
1 715 . 1 1 1 A 74 74 TYR HA H 74 4.875 4.937 -0.062 1
1 722 . 1 1 1 A 74 74 TYR C C 74 174.879 175.606 -0.727 1
1 723 . 1 1 1 A 74 74 TYR CA C 74 56.732 58.529 -1.797 1
1 724 . 1 1 1 A 74 74 TYR CB C 74 37.069 41.809 -4.740 1
1 725 . 1 1 1 A 74 74 TYR N N 74 120.080 127.961 -7.881 1
1 726 . 1 1 1 A 75 75 ASN H H 75 7.237 7.289 -0.052 1
1 727 . 1 1 1 A 75 75 ASN HA H 75 4.601 4.705 -0.104 1
1 730 . 1 1 1 A 75 75 ASN C C 75 175.146 175.663 -0.517 1
1 731 . 1 1 1 A 75 75 ASN CA C 75 53.124 53.986 -0.862 1
1 732 . 1 1 1 A 75 75 ASN CB C 75 37.755 38.778 -1.023 1
1 733 . 1 1 1 A 75 75 ASN N N 75 118.665 118.717 -0.052 1
1 734 . 1 1 1 A 76 76 LYS H H 76 8.672 8.607 0.065 1
1 735 . 1 1 1 A 76 76 LYS HA H 76 4.077 4.018 0.059 1
1 742 . 1 1 1 A 76 76 LYS C C 76 177.773 178.213 -0.440 1
1 743 . 1 1 1 A 76 76 LYS CA C 76 60.060 59.781 0.279 1
1 744 . 1 1 1 A 76 76 LYS CB C 76 37.827 32.426 5.401 1
1 748 . 1 1 1 A 76 76 LYS N N 76 127.868 124.986 2.882 1
1 749 . 1 1 1 A 77 77 ASP H H 77 7.946 8.271 -0.325 1
1 750 . 1 1 1 A 77 77 ASP HA H 77 4.414 4.486 -0.072 1
1 753 . 1 1 1 A 77 77 ASP C C 77 179.265 178.910 0.355 1
1 754 . 1 1 1 A 77 77 ASP CA C 77 57.127 57.441 -0.314 1
1 755 . 1 1 1 A 77 77 ASP CB C 77 40.634 40.624 0.010 1
1 756 . 1 1 1 A 77 77 ASP N N 77 117.883 119.638 -1.755 1
1 757 . 1 1 1 A 78 78 VAL H H 78 7.653 8.259 -0.606 1
1 758 . 1 1 1 A 78 78 VAL HA H 78 3.282 3.626 -0.344 1
1 766 . 1 1 1 A 78 78 VAL C C 78 176.624 178.291 -1.667 1
1 767 . 1 1 1 A 78 78 VAL CA C 78 65.531 66.662 -1.131 1
1 768 . 1 1 1 A 78 78 VAL CB C 78 31.290 31.685 -0.395 1
1 771 . 1 1 1 A 78 78 VAL N N 78 121.259 119.691 1.568 1
1 772 . 1 1 1 A 79 79 TRP H H 79 7.626 8.268 -0.642 1
1 773 . 1 1 1 A 79 79 TRP HA H 79 4.107 4.655 -0.548 1
1 778 . 1 1 1 A 79 79 TRP C C 79 177.932 178.784 -0.852 1
1 779 . 1 1 1 A 79 79 TRP CA C 79 61.491 60.476 1.015 1
1 780 . 1 1 1 A 79 79 TRP CB C 79 28.665 28.956 -0.291 1
1 781 . 1 1 1 A 79 79 TRP N N 79 120.388 120.431 -0.043 1
1 783 . 1 1 1 A 80 80 ALA H H 80 8.296 8.603 -0.307 1
1 784 . 1 1 1 A 80 80 ALA HA H 80 3.898 3.929 -0.031 1
1 788 . 1 1 1 A 80 80 ALA C C 80 176.556 179.584 -3.028 1
1 789 . 1 1 1 A 80 80 ALA CA C 80 55.158 55.442 -0.284 1
1 790 . 1 1 1 A 80 80 ALA CB C 80 18.155 18.332 -0.177 1
1 791 . 1 1 1 A 80 80 ALA N N 80 120.453 121.034 -0.581 1
1 792 . 1 1 1 A 81 81 ALA H H 81 7.405 8.144 -0.739 1
1 793 . 1 1 1 A 81 81 ALA HA H 81 3.837 3.972 -0.135 1
1 797 . 1 1 1 A 81 81 ALA C C 81 180.646 178.816 1.830 1
1 798 . 1 1 1 A 81 81 ALA CA C 81 55.028 55.368 -0.340 1
1 799 . 1 1 1 A 81 81 ALA CB C 81 15.649 18.480 -2.831 1
1 800 . 1 1 1 A 81 81 ALA N N 81 120.915 120.412 0.503 1
1 801 . 1 1 1 A 82 82 LYS H H 82 8.244 7.852 0.392 1
1 802 . 1 1 1 A 82 82 LYS HA H 82 3.853 3.751 0.102 1
1 811 . 1 1 1 A 82 82 LYS C C 82 177.176 178.292 -1.116 1
1 812 . 1 1 1 A 82 82 LYS CA C 82 60.577 59.183 1.394 1
1 813 . 1 1 1 A 82 82 LYS CB C 82 32.243 31.910 0.333 1
1 816 . 1 1 1 A 82 82 LYS N N 82 121.979 118.376 3.603 1
1 817 . 1 1 1 A 83 83 ALA H H 83 8.422 7.877 0.545 1
1 818 . 1 1 1 A 83 83 ALA HA H 83 3.894 4.013 -0.119 1
1 822 . 1 1 1 A 83 83 ALA C C 83 178.746 180.088 -1.342 1
1 823 . 1 1 1 A 83 83 ALA CA C 83 56.268 55.081 1.187 1
1 824 . 1 1 1 A 83 83 ALA CB C 83 17.700 18.277 -0.577 1
1 825 . 1 1 1 A 83 83 ALA N N 83 121.419 121.199 0.220 1
1 826 . 1 1 1 A 84 84 ASP H H 84 7.481 8.023 -0.542 1
1 827 . 1 1 1 A 84 84 ASP HA H 84 4.377 4.318 0.059 1
1 828 . 1 1 1 A 84 84 ASP C C 84 178.394 178.120 0.274 1
1 829 . 1 1 1 A 84 84 ASP CA C 84 56.946 56.735 0.211 1
1 830 . 1 1 1 A 84 84 ASP CB C 84 40.351 39.889 0.462 1
1 831 . 1 1 1 A 84 84 ASP N N 84 114.693 119.313 -4.620 1
1 832 . 1 1 1 A 85 85 ALA H H 85 7.680 7.448 0.232 1
1 833 . 1 1 1 A 85 85 ALA HA H 85 4.521 3.550 0.971 1
1 837 . 1 1 1 A 85 85 ALA C C 85 179.100 180.201 -1.101 1
1 838 . 1 1 1 A 85 85 ALA CA C 85 55.819 54.744 1.075 1
1 839 . 1 1 1 A 85 85 ALA CB C 85 19.257 18.170 1.087 1
1 840 . 1 1 1 A 85 85 ALA N N 85 119.105 123.105 -4.000 1
1 841 . 1 1 1 A 86 86 LEU H H 86 8.516 8.160 0.356 1
1 842 . 1 1 1 A 86 86 LEU HA H 86 3.919 3.953 -0.034 1
1 852 . 1 1 1 A 86 86 LEU C C 86 178.767 179.202 -0.435 1
1 853 . 1 1 1 A 86 86 LEU CA C 86 48.892 57.500 -8.608 1
1 854 . 1 1 1 A 86 86 LEU CB C 86 43.011 41.422 1.589 1
1 858 . 1 1 1 A 86 86 LEU N N 86 115.208 118.595 -3.387 1
1 859 . 1 1 1 A 87 87 ARG H H 87 7.329 8.079 -0.750 1
1 860 . 1 1 1 A 87 87 ARG HA H 87 3.851 3.924 -0.073 1
1 867 . 1 1 1 A 87 87 ARG C C 87 176.800 175.532 1.268 1
1 868 . 1 1 1 A 87 87 ARG CA C 87 58.315 58.240 0.075 1
1 869 . 1 1 1 A 87 87 ARG CB C 87 27.514 29.982 -2.468 1
1 872 . 1 1 1 A 87 87 ARG N N 87 115.227 116.966 -1.739 1
1 873 . 1 1 1 A 88 88 TYR H H 88 7.201 7.459 -0.258 1
1 874 . 1 1 1 A 88 88 TYR HA H 88 4.193 4.676 -0.483 1
1 881 . 1 1 1 A 88 88 TYR C C 88 174.958 173.430 1.528 1
1 882 . 1 1 1 A 88 88 TYR CA C 88 58.463 56.219 2.244 1
1 883 . 1 1 1 A 88 88 TYR CB C 88 38.457 37.933 0.524 1
1 884 . 1 1 1 A 88 88 TYR N N 88 115.558 115.799 -0.241 1
1 885 . 1 1 1 A 89 89 ILE H H 89 7.374 7.874 -0.500 1
1 886 . 1 1 1 A 89 89 ILE HA H 89 4.175 4.719 -0.544 1
1 895 . 1 1 1 A 89 89 ILE C C 89 174.900 173.912 0.988 1
1 896 . 1 1 1 A 89 89 ILE CA C 89 60.978 59.491 1.487 1
1 897 . 1 1 1 A 89 89 ILE CB C 89 38.945 41.998 -3.053 1
1 901 . 1 1 1 A 89 89 ILE N N 89 122.120 123.386 -1.266 1
1 902 . 1 1 1 A 90 90 GLU H H 90 8.655 8.382 0.273 1
1 903 . 1 1 1 A 90 90 GLU HA H 90 4.159 4.673 -0.514 1
1 905 . 1 1 1 A 90 90 GLU CA C 90 57.914 56.281 1.633 1
1 906 . 1 1 1 A 90 90 GLU CB C 90 29.894 29.116 0.778 1
1 907 . 1 1 1 A 90 90 GLU N N 90 128.417 127.560 0.857 1
1 908 . 1 1 1 A 91 91 GLY H H 91 9.089 7.613 1.476 1
1 909 . 1 1 1 A 91 91 GLY HA2 H 91 4.293 4.131 0.162 1
1 910 . 1 1 1 A 91 91 GLY HA3 H 91 4.039 4.134 -0.095 1
1 911 . 1 1 1 A 91 91 GLY CA C 91 45.756 45.934 -0.178 1
1 912 . 1 1 1 A 91 91 GLY N N 91 112.760 110.674 2.086 1
1 913 . 1 1 1 A 93 93 GLU C C 93 176.315 178.636 -2.321 1
1 914 . 1 1 1 A 94 94 VAL H H 94 8.288 7.867 0.421 1
1 915 . 1 1 1 A 94 94 VAL HA H 94 3.800 3.810 -0.010 1
1 920 . 1 1 1 A 94 94 VAL C C 94 178.292 177.853 0.439 1
1 921 . 1 1 1 A 94 94 VAL CA C 94 56.374 65.402 -9.028 1
1 922 . 1 1 1 A 94 94 VAL CB C 94 31.630 31.288 0.342 1
1 923 . 1 1 1 A 94 94 VAL N N 94 119.837 119.148 0.689 1
1 924 . 1 1 1 A 95 95 GLU H H 95 8.207 8.215 -0.008 1
1 925 . 1 1 1 A 95 95 GLU HA H 95 3.931 4.060 -0.129 1
1 927 . 1 1 1 A 95 95 GLU C C 95 179.514 179.108 0.406 1
1 928 . 1 1 1 A 95 95 GLU CA C 95 60.215 59.171 1.044 1
1 929 . 1 1 1 A 95 95 GLU CB C 95 29.419 29.706 -0.287 1
1 930 . 1 1 1 A 95 95 GLU N N 95 120.805 121.720 -0.915 1
1 931 . 1 1 1 A 96 96 ALA H H 96 8.839 8.245 0.594 1
1 932 . 1 1 1 A 96 96 ALA HA H 96 4.029 3.995 0.034 1
1 936 . 1 1 1 A 96 96 ALA C C 96 179.047 180.089 -1.042 1
1 937 . 1 1 1 A 96 96 ALA CA C 96 54.866 54.869 -0.003 1
1 938 . 1 1 1 A 96 96 ALA CB C 96 17.667 18.218 -0.551 1
1 939 . 1 1 1 A 96 96 ALA N N 96 123.226 122.239 0.987 1
1 940 . 1 1 1 A 97 97 GLU H H 97 7.763 7.394 0.369 1
1 941 . 1 1 1 A 97 97 GLU HA H 97 4.055 3.959 0.096 1
1 943 . 1 1 1 A 97 97 GLU C C 97 178.015 179.508 -1.493 1
1 944 . 1 1 1 A 97 97 GLU CA C 97 59.138 59.687 -0.549 1
1 945 . 1 1 1 A 97 97 GLU CB C 97 29.588 29.475 0.113 1
1 946 . 1 1 1 A 97 97 GLU N N 97 118.606 117.961 0.645 1
1 947 . 1 1 1 A 98 98 ILE H H 98 8.118 7.963 0.155 1
1 948 . 1 1 1 A 98 98 ILE HA H 98 3.657 3.798 -0.141 1
1 958 . 1 1 1 A 98 98 ILE C C 98 178.015 177.989 0.026 1
1 959 . 1 1 1 A 98 98 ILE CA C 98 64.831 65.358 -0.527 1
1 960 . 1 1 1 A 98 98 ILE CB C 98 38.402 37.727 0.675 1
1 964 . 1 1 1 A 98 98 ILE N N 98 122.339 120.702 1.637 1
1 965 . 1 1 1 A 99 99 ALA H H 99 8.117 8.250 -0.133 1
1 966 . 1 1 1 A 99 99 ALA HA H 99 4.210 4.098 0.112 1
1 970 . 1 1 1 A 99 99 ALA C C 99 178.762 180.187 -1.425 1
1 971 . 1 1 1 A 99 99 ALA CA C 99 55.360 55.720 -0.360 1
1 972 . 1 1 1 A 99 99 ALA CB C 99 17.499 18.321 -0.822 1
1 973 . 1 1 1 A 99 99 ALA N N 99 122.357 122.533 -0.176 1
1 974 . 1 1 1 A 100 100 GLU H H 100 8.345 7.993 0.352 1
1 975 . 1 1 1 A 100 100 GLU HA H 100 3.787 3.996 -0.209 1
1 978 . 1 1 1 A 100 100 GLU C C 100 178.463 178.545 -0.082 1
1 979 . 1 1 1 A 100 100 GLU CA C 100 59.063 59.004 0.059 1
1 980 . 1 1 1 A 100 100 GLU CB C 100 29.670 29.494 0.176 1
1 981 . 1 1 1 A 100 100 GLU N N 100 118.391 118.245 0.146 1
1 982 . 1 1 1 A 101 101 ALA H H 101 7.693 8.288 -0.595 1
1 983 . 1 1 1 A 101 101 ALA HA H 101 4.111 4.041 0.070 1
1 987 . 1 1 1 A 101 101 ALA C C 101 180.967 179.701 1.266 1
1 988 . 1 1 1 A 101 101 ALA CA C 101 54.383 55.187 -0.804 1
1 989 . 1 1 1 A 101 101 ALA CB C 101 18.097 18.152 -0.055 1
1 990 . 1 1 1 A 101 101 ALA N N 101 120.699 122.347 -1.648 1
1 991 . 1 1 1 A 102 102 ARG H H 102 7.959 8.547 -0.588 1
1 992 . 1 1 1 A 102 102 ARG HA H 102 3.705 3.932 -0.227 1
1 993 . 1 1 1 A 102 102 ARG C C 102 178.310 177.885 0.425 1
1 994 . 1 1 1 A 102 102 ARG CA C 102 57.696 58.930 -1.234 1
1 995 . 1 1 1 A 102 102 ARG CB C 102 28.404 29.777 -1.373 1
1 996 . 1 1 1 A 102 102 ARG N N 102 118.386 118.824 -0.438 1
1 997 . 1 1 1 A 103 103 ALA H H 103 7.896 8.274 -0.378 1
1 998 . 1 1 1 A 103 103 ALA HA H 103 4.108 4.076 0.032 1
1 1002 . 1 1 1 A 103 103 ALA C C 103 178.184 179.062 -0.878 1
1 1003 . 1 1 1 A 103 103 ALA CA C 103 54.210 54.720 -0.510 1
1 1004 . 1 1 1 A 103 103 ALA CB C 103 18.430 18.485 -0.055 1
1 1005 . 1 1 1 A 103 103 ALA N N 103 120.630 121.270 -0.640 1
1 1006 . 1 1 1 A 104 104 LYS H H 104 7.337 7.730 -0.393 1
1 1007 . 1 1 1 A 104 104 LYS HA H 104 4.150 4.303 -0.153 1
1 1013 . 1 1 1 A 104 104 LYS C C 104 177.211 176.959 0.252 1
1 1014 . 1 1 1 A 104 104 LYS CA C 104 56.429 56.560 -0.131 1
1 1015 . 1 1 1 A 104 104 LYS CB C 104 32.810 32.165 0.645 1
1 1018 . 1 1 1 A 104 104 LYS N N 104 115.288 116.823 -1.535 1
1 1019 . 1 1 1 A 105 105 LEU H H 105 7.511 7.642 -0.131 1
1 1020 . 1 1 1 A 105 105 LEU HA H 105 4.162 4.018 0.144 1
1 1030 . 1 1 1 A 105 105 LEU C C 105 177.260 178.204 -0.944 1
1 1031 . 1 1 1 A 105 105 LEU CA C 105 56.227 57.876 -1.649 1
1 1032 . 1 1 1 A 105 105 LEU CB C 105 42.365 41.657 0.708 1
1 1036 . 1 1 1 A 105 105 LEU N N 105 120.938 122.143 -1.205 1
1 1037 . 1 1 1 A 106 106 GLU H H 106 8.283 8.093 0.190 1
1 1038 . 1 1 1 A 106 106 GLU HA H 106 4.167 3.594 0.573 1
1 1041 . 1 1 1 A 106 106 GLU C C 106 173.877 175.703 -1.826 1
1 1042 . 1 1 1 A 106 106 GLU CA C 106 55.862 59.223 -3.361 1
1 1043 . 1 1 1 A 106 106 GLU CB C 106 30.289 29.372 0.917 1
1 1044 . 1 1 1 A 106 106 GLU N N 106 121.004 118.831 2.173 1
1 1045 . 1 1 1 A 107 107 HIS H H 107 8.128 7.552 0.576 1
1 1046 . 1 1 1 A 107 107 HIS CA C 107 57.258 56.472 0.786 1
1 1047 . 1 1 1 A 107 107 HIS CB C 107 30.252 29.736 0.516 1
1 1 . 2 1 1 A 6 6 PRO HA H 6 4.310 4.382 -0.072 1
1 8 . 2 1 1 A 6 6 PRO C C 6 177.583 176.800 0.783 1
1 9 . 2 1 1 A 6 6 PRO CA C 6 65.455 62.959 2.496 1
1 10 . 2 1 1 A 6 6 PRO CB C 6 31.231 32.614 -1.383 1
1 13 . 2 1 1 A 7 7 GLU H H 7 8.058 9.134 -1.076 1
1 14 . 2 1 1 A 7 7 GLU HA H 7 4.314 4.658 -0.344 1
1 15 . 2 1 1 A 7 7 GLU C C 7 178.814 177.951 0.863 1
1 16 . 2 1 1 A 7 7 GLU CA C 7 58.577 58.291 0.286 1
1 17 . 2 1 1 A 7 7 GLU CB C 7 29.806 29.517 0.289 1
1 18 . 2 1 1 A 7 7 GLU N N 7 116.393 121.961 -5.568 1
1 19 . 2 1 1 A 8 8 GLU H H 8 7.458 8.555 -1.097 1
1 20 . 2 1 1 A 8 8 GLU HA H 8 4.029 4.363 -0.334 1
1 21 . 2 1 1 A 8 8 GLU C C 8 179.794 179.076 0.718 1
1 22 . 2 1 1 A 8 8 GLU CA C 8 59.369 58.989 0.380 1
1 23 . 2 1 1 A 8 8 GLU CB C 8 29.455 29.568 -0.113 1
1 24 . 2 1 1 A 8 8 GLU N N 8 117.887 120.058 -2.171 1
1 25 . 2 1 1 A 9 9 TYR H H 9 6.889 8.595 -1.706 1
1 26 . 2 1 1 A 9 9 TYR HA H 9 4.301 4.239 0.062 1
1 33 . 2 1 1 A 9 9 TYR C C 9 177.756 177.834 -0.078 1
1 34 . 2 1 1 A 9 9 TYR CA C 9 60.754 60.581 0.173 1
1 35 . 2 1 1 A 9 9 TYR CB C 9 37.319 37.540 -0.221 1
1 36 . 2 1 1 A 9 9 TYR N N 9 117.876 119.353 -1.477 1
1 37 . 2 1 1 A 10 10 TYR H H 10 8.138 8.173 -0.035 1
1 38 . 2 1 1 A 10 10 TYR HA H 10 4.018 4.269 -0.251 1
1 45 . 2 1 1 A 10 10 TYR C C 10 176.231 177.289 -1.058 1
1 46 . 2 1 1 A 10 10 TYR CA C 10 62.031 59.902 2.129 1
1 47 . 2 1 1 A 10 10 TYR CB C 10 38.951 37.117 1.834 1
1 48 . 2 1 1 A 10 10 TYR N N 10 118.874 120.328 -1.454 1
1 49 . 2 1 1 A 11 11 LEU H H 11 8.597 7.309 1.288 1
1 50 . 2 1 1 A 11 11 LEU HA H 11 3.797 3.250 0.547 1
1 60 . 2 1 1 A 11 11 LEU C C 11 180.257 178.259 1.998 1
1 61 . 2 1 1 A 11 11 LEU CA C 11 58.295 56.994 1.301 1
1 62 . 2 1 1 A 11 11 LEU CB C 11 41.541 41.058 0.483 1
1 66 . 2 1 1 A 11 11 LEU N N 11 119.267 118.792 0.475 1
1 67 . 2 1 1 A 12 12 GLU H H 12 7.640 7.904 -0.264 1
1 68 . 2 1 1 A 12 12 GLU HA H 12 4.033 3.780 0.253 1
1 69 . 2 1 1 A 12 12 GLU C C 12 179.050 179.062 -0.012 1
1 70 . 2 1 1 A 12 12 GLU CA C 12 59.137 59.349 -0.212 1
1 71 . 2 1 1 A 12 12 GLU CB C 12 29.351 28.618 0.733 1
1 72 . 2 1 1 A 12 12 GLU N N 12 119.459 118.586 0.873 1
1 73 . 2 1 1 A 13 13 GLY H H 13 8.624 8.006 0.618 1
1 74 . 2 1 1 A 13 13 GLY HA2 H 13 3.083 3.608 -0.525 1
1 75 . 2 1 1 A 13 13 GLY HA3 H 13 2.863 3.700 -0.837 1
1 76 . 2 1 1 A 13 13 GLY C C 13 175.651 176.398 -0.747 1
1 77 . 2 1 1 A 13 13 GLY CA C 13 48.592 47.132 1.460 1
1 78 . 2 1 1 A 13 13 GLY N N 13 110.175 107.784 2.391 1
1 79 . 2 1 1 A 14 14 VAL H H 14 8.757 7.386 1.371 1
1 80 . 2 1 1 A 14 14 VAL HA H 14 3.532 3.633 -0.101 1
1 88 . 2 1 1 A 14 14 VAL C C 14 177.103 177.532 -0.429 1
1 89 . 2 1 1 A 14 14 VAL CA C 14 67.661 65.742 1.919 1
1 90 . 2 1 1 A 14 14 VAL CB C 14 31.430 31.635 -0.205 1
1 93 . 2 1 1 A 14 14 VAL N N 14 124.361 121.386 2.975 1
1 94 . 2 1 1 A 15 15 LEU H H 15 7.555 7.978 -0.423 1
1 95 . 2 1 1 A 15 15 LEU HA H 15 4.089 3.834 0.255 1
1 105 . 2 1 1 A 15 15 LEU C C 15 181.353 179.142 2.211 1
1 106 . 2 1 1 A 15 15 LEU CA C 15 58.775 57.948 0.827 1
1 107 . 2 1 1 A 15 15 LEU CB C 15 39.871 41.617 -1.746 1
1 111 . 2 1 1 A 15 15 LEU N N 15 119.975 119.887 0.088 1
1 112 . 2 1 1 A 16 16 GLN H H 16 7.878 7.877 0.001 1
1 113 . 2 1 1 A 16 16 GLN C C 16 177.675 177.811 -0.136 1
1 114 . 2 1 1 A 16 16 GLN CA C 16 58.023 58.217 -0.194 1
1 115 . 2 1 1 A 16 16 GLN CB C 16 27.162 28.376 -1.214 1
1 116 . 2 1 1 A 16 16 GLN N N 16 117.171 117.297 -0.126 1
1 117 . 2 1 1 A 17 17 TYR H H 17 9.044 8.068 0.976 1
1 118 . 2 1 1 A 17 17 TYR HA H 17 3.637 4.341 -0.704 1
1 125 . 2 1 1 A 17 17 TYR C C 17 179.591 177.673 1.918 1
1 126 . 2 1 1 A 17 17 TYR CA C 17 62.233 61.186 1.047 1
1 127 . 2 1 1 A 17 17 TYR CB C 17 38.759 38.376 0.383 1
1 128 . 2 1 1 A 17 17 TYR N N 17 124.139 118.491 5.648 1
1 129 . 2 1 1 A 18 18 ASP H H 18 9.408 9.127 0.281 1
1 130 . 2 1 1 A 18 18 ASP HA H 18 4.392 4.356 0.036 1
1 133 . 2 1 1 A 18 18 ASP C C 18 177.432 178.299 -0.867 1
1 134 . 2 1 1 A 18 18 ASP CA C 18 57.155 56.987 0.168 1
1 135 . 2 1 1 A 18 18 ASP CB C 18 39.901 41.322 -1.421 1
1 136 . 2 1 1 A 18 18 ASP N N 18 122.934 119.384 3.550 1
1 137 . 2 1 1 A 19 19 ALA H H 19 7.264 7.961 -0.697 1
1 138 . 2 1 1 A 19 19 ALA HA H 19 4.294 4.629 -0.335 1
1 142 . 2 1 1 A 19 19 ALA C C 19 177.336 176.760 0.576 1
1 143 . 2 1 1 A 19 19 ALA CA C 19 52.171 51.375 0.796 1
1 144 . 2 1 1 A 19 19 ALA CB C 19 18.870 19.469 -0.599 1
1 145 . 2 1 1 A 19 19 ALA N N 19 119.827 120.488 -0.661 1
1 146 . 2 1 1 A 20 20 GLY H H 20 7.667 8.387 -0.720 1
1 147 . 2 1 1 A 20 20 GLY HA2 H 20 3.844 3.571 0.273 1
1 148 . 2 1 1 A 20 20 GLY HA3 H 20 2.653 4.013 -1.360 1
1 149 . 2 1 1 A 20 20 GLY C C 20 173.498 174.284 -0.786 1
1 150 . 2 1 1 A 20 20 GLY CA C 20 44.003 45.337 -1.334 1
1 151 . 2 1 1 A 20 20 GLY N N 20 106.574 107.394 -0.820 1
1 152 . 2 1 1 A 21 21 ASN H H 21 7.998 7.957 0.041 1
1 153 . 2 1 1 A 21 21 ASN HA H 21 4.884 4.402 0.482 1
1 156 . 2 1 1 A 21 21 ASN C C 21 175.654 174.648 1.006 1
1 157 . 2 1 1 A 21 21 ASN CA C 21 50.397 54.273 -3.876 1
1 158 . 2 1 1 A 21 21 ASN CB C 21 35.866 36.414 -0.548 1
1 159 . 2 1 1 A 21 21 ASN N N 21 121.852 116.167 5.685 1
1 160 . 2 1 1 A 22 22 TYR H H 22 7.024 7.780 -0.756 1
1 161 . 2 1 1 A 22 22 TYR HA H 22 4.203 4.335 -0.132 1
1 166 . 2 1 1 A 22 22 TYR C C 22 179.639 178.389 1.250 1
1 167 . 2 1 1 A 22 22 TYR CA C 22 61.732 60.734 0.998 1
1 168 . 2 1 1 A 22 22 TYR CB C 22 37.840 38.160 -0.320 1
1 169 . 2 1 1 A 22 22 TYR N N 22 119.554 117.233 2.321 1
1 170 . 2 1 1 A 23 23 THR H H 23 9.025 8.254 0.771 1
1 171 . 2 1 1 A 23 23 THR HA H 23 3.742 4.174 -0.432 1
1 176 . 2 1 1 A 23 23 THR C C 23 176.384 175.959 0.425 1
1 177 . 2 1 1 A 23 23 THR CA C 23 67.528 67.463 0.065 1
1 178 . 2 1 1 A 23 23 THR CB C 23 67.962 68.225 -0.263 1
1 180 . 2 1 1 A 23 23 THR N N 23 117.377 115.158 2.219 1
1 181 . 2 1 1 A 24 24 GLU H H 24 8.762 8.348 0.414 1
1 182 . 2 1 1 A 24 24 GLU HA H 24 3.959 3.984 -0.025 1
1 183 . 2 1 1 A 24 24 GLU C C 24 179.843 179.413 0.430 1
1 184 . 2 1 1 A 24 24 GLU CA C 24 60.243 59.620 0.623 1
1 185 . 2 1 1 A 24 24 GLU CB C 24 28.510 29.298 -0.788 1
1 186 . 2 1 1 A 24 24 GLU N N 24 123.212 122.443 0.769 1
1 187 . 2 1 1 A 25 25 SER H H 25 8.152 8.609 -0.457 1
1 188 . 2 1 1 A 25 25 SER HA H 25 4.057 4.154 -0.097 1
1 190 . 2 1 1 A 25 25 SER C C 25 174.017 175.791 -1.774 1
1 191 . 2 1 1 A 25 25 SER CA C 25 62.319 62.154 0.165 1
1 192 . 2 1 1 A 25 25 SER CB C 25 62.345 62.906 -0.561 1
1 193 . 2 1 1 A 25 25 SER N N 25 115.914 116.856 -0.942 1
1 194 . 2 1 1 A 26 26 ILE H H 26 7.593 7.669 -0.076 1
1 195 . 2 1 1 A 26 26 ILE HA H 26 3.560 3.926 -0.366 1
1 204 . 2 1 1 A 26 26 ILE C C 26 176.788 177.745 -0.957 1
1 205 . 2 1 1 A 26 26 ILE CA C 26 66.713 64.904 1.809 1
1 206 . 2 1 1 A 26 26 ILE CB C 26 36.519 37.752 -1.233 1
1 210 . 2 1 1 A 26 26 ILE N N 26 122.676 121.331 1.345 1
1 211 . 2 1 1 A 27 27 ASP H H 27 6.944 8.590 -1.646 1
1 212 . 2 1 1 A 27 27 ASP HA H 27 4.239 4.339 -0.100 1
1 214 . 2 1 1 A 27 27 ASP C C 27 178.538 178.659 -0.121 1
1 215 . 2 1 1 A 27 27 ASP CA C 27 57.449 56.978 0.471 1
1 216 . 2 1 1 A 27 27 ASP CB C 27 40.758 40.185 0.573 1
1 217 . 2 1 1 A 27 27 ASP N N 27 118.062 120.717 -2.655 1
1 218 . 2 1 1 A 28 28 LEU H H 28 6.971 8.115 -1.144 1
1 219 . 2 1 1 A 28 28 LEU HA H 28 3.776 3.957 -0.181 1
1 229 . 2 1 1 A 28 28 LEU C C 28 178.716 179.250 -0.534 1
1 230 . 2 1 1 A 28 28 LEU CA C 28 58.135 58.192 -0.057 1
1 231 . 2 1 1 A 28 28 LEU CB C 28 40.491 41.704 -1.213 1
1 235 . 2 1 1 A 28 28 LEU N N 28 120.290 119.677 0.613 1
1 236 . 2 1 1 A 29 29 PHE H H 29 8.520 7.803 0.717 1
1 237 . 2 1 1 A 29 29 PHE HA H 29 4.324 4.336 -0.012 1
1 240 . 2 1 1 A 29 29 PHE C C 29 178.284 178.167 0.117 1
1 241 . 2 1 1 A 29 29 PHE CA C 29 59.548 60.720 -1.172 1
1 242 . 2 1 1 A 29 29 PHE CB C 29 37.576 38.331 -0.755 1
1 243 . 2 1 1 A 29 29 PHE N N 29 118.434 117.527 0.907 1
1 244 . 2 1 1 A 30 30 GLU H H 30 8.779 8.388 0.391 1
1 245 . 2 1 1 A 30 30 GLU HA H 30 3.795 3.835 -0.040 1
1 246 . 2 1 1 A 30 30 GLU C C 30 178.966 179.137 -0.171 1
1 247 . 2 1 1 A 30 30 GLU CA C 30 59.452 59.960 -0.508 1
1 248 . 2 1 1 A 30 30 GLU CB C 30 29.049 29.355 -0.306 1
1 249 . 2 1 1 A 30 30 GLU N N 30 117.548 118.115 -0.567 1
1 250 . 2 1 1 A 31 31 LYS H H 31 7.318 8.169 -0.851 1
1 251 . 2 1 1 A 31 31 LYS HA H 31 3.668 3.990 -0.322 1
1 259 . 2 1 1 A 31 31 LYS C C 31 178.665 178.793 -0.128 1
1 260 . 2 1 1 A 31 31 LYS CA C 31 59.401 59.266 0.135 1
1 261 . 2 1 1 A 31 31 LYS CB C 31 31.113 32.231 -1.118 1
1 264 . 2 1 1 A 31 31 LYS N N 31 120.410 119.334 1.076 1
1 265 . 2 1 1 A 32 32 ALA H H 32 7.311 7.699 -0.388 1
1 266 . 2 1 1 A 32 32 ALA HA H 32 3.859 3.658 0.201 1
1 270 . 2 1 1 A 32 32 ALA C C 32 178.384 179.713 -1.329 1
1 271 . 2 1 1 A 32 32 ALA CA C 32 54.697 54.817 -0.120 1
1 272 . 2 1 1 A 32 32 ALA CB C 32 15.999 18.621 -2.622 1
1 273 . 2 1 1 A 32 32 ALA N N 32 121.277 121.743 -0.466 1
1 274 . 2 1 1 A 33 33 ILE H H 33 8.114 8.639 -0.525 1
1 275 . 2 1 1 A 33 33 ILE HA H 33 3.469 3.528 -0.059 1
1 285 . 2 1 1 A 33 33 ILE C C 33 176.970 178.196 -1.226 1
1 286 . 2 1 1 A 33 33 ILE CA C 33 64.857 64.472 0.385 1
1 287 . 2 1 1 A 33 33 ILE CB C 33 38.669 37.035 1.634 1
1 291 . 2 1 1 A 33 33 ILE N N 33 118.905 117.530 1.375 1
1 292 . 2 1 1 A 34 34 GLN H H 34 7.790 7.939 -0.149 1
1 293 . 2 1 1 A 34 34 GLN HA H 34 3.853 4.065 -0.212 1
1 296 . 2 1 1 A 34 34 GLN C C 34 178.320 178.261 0.059 1
1 297 . 2 1 1 A 34 34 GLN CA C 34 57.696 58.715 -1.019 1
1 298 . 2 1 1 A 34 34 GLN CB C 34 28.457 28.439 0.018 1
1 299 . 2 1 1 A 34 34 GLN N N 34 115.405 121.236 -5.831 1
1 300 . 2 1 1 A 35 35 LEU H H 35 7.092 7.189 -0.097 1
1 301 . 2 1 1 A 35 35 LEU HA H 35 4.354 4.114 0.240 1
1 311 . 2 1 1 A 35 35 LEU C C 35 177.841 177.379 0.462 1
1 312 . 2 1 1 A 35 35 LEU CA C 35 56.273 56.556 -0.283 1
1 313 . 2 1 1 A 35 35 LEU CB C 35 43.490 42.864 0.626 1
1 317 . 2 1 1 A 35 35 LEU N N 35 116.678 117.945 -1.267 1
1 318 . 2 1 1 A 36 36 ASP H H 36 8.367 7.611 0.756 1
1 319 . 2 1 1 A 36 36 ASP CA C 36 52.138 51.778 0.360 1
1 320 . 2 1 1 A 36 36 ASP CB C 36 41.549 41.595 -0.046 1
1 321 . 2 1 1 A 36 36 ASP N N 36 117.682 116.198 1.484 1
1 322 . 2 1 1 A 37 37 PRO HA H 37 4.940 4.768 0.172 1
1 329 . 2 1 1 A 37 37 PRO C C 37 178.088 176.635 1.453 1
1 330 . 2 1 1 A 37 37 PRO CA C 37 64.272 62.881 1.391 1
1 331 . 2 1 1 A 37 37 PRO CB C 37 32.155 29.746 2.409 1
1 334 . 2 1 1 A 38 38 GLU H H 38 7.853 8.545 -0.692 1
1 335 . 2 1 1 A 38 38 GLU HA H 38 4.436 4.768 -0.332 1
1 337 . 2 1 1 A 38 38 GLU C C 38 174.874 176.356 -1.482 1
1 338 . 2 1 1 A 38 38 GLU CA C 38 56.200 56.398 -0.198 1
1 339 . 2 1 1 A 38 38 GLU CB C 38 29.589 32.631 -3.042 1
1 340 . 2 1 1 A 38 38 GLU N N 38 116.933 121.494 -4.561 1
1 341 . 2 1 1 A 39 39 GLU H H 39 6.992 7.892 -0.900 1
1 342 . 2 1 1 A 39 39 GLU HA H 39 4.313 4.392 -0.079 1
1 343 . 2 1 1 A 39 39 GLU C C 39 176.082 177.171 -1.089 1
1 344 . 2 1 1 A 39 39 GLU CA C 39 54.591 56.112 -1.521 1
1 345 . 2 1 1 A 39 39 GLU CB C 39 29.177 29.572 -0.395 1
1 346 . 2 1 1 A 39 39 GLU N N 39 119.900 120.760 -0.860 1
1 347 . 2 1 1 A 40 40 SER H H 40 8.458 8.334 0.124 1
1 348 . 2 1 1 A 40 40 SER HA H 40 4.103 4.248 -0.145 1
1 350 . 2 1 1 A 40 40 SER C C 40 176.323 176.547 -0.224 1
1 351 . 2 1 1 A 40 40 SER CA C 40 61.929 62.553 -0.624 1
1 352 . 2 1 1 A 40 40 SER CB C 40 63.232 63.174 0.058 1
1 353 . 2 1 1 A 40 40 SER N N 40 125.619 121.379 4.240 1
1 354 . 2 1 1 A 41 41 LYS H H 41 9.248 8.315 0.933 1
1 355 . 2 1 1 A 41 41 LYS HA H 41 4.068 4.040 0.028 1
1 358 . 2 1 1 A 41 41 LYS C C 41 177.520 178.560 -1.040 1
1 359 . 2 1 1 A 41 41 LYS CA C 41 59.259 59.644 -0.385 1
1 360 . 2 1 1 A 41 41 LYS CB C 41 31.161 32.380 -1.219 1
1 361 . 2 1 1 A 41 41 LYS N N 41 119.120 122.419 -3.299 1
1 362 . 2 1 1 A 42 42 TYR H H 42 6.924 8.245 -1.321 1
1 363 . 2 1 1 A 42 42 TYR HA H 42 4.301 4.360 -0.059 1
1 368 . 2 1 1 A 42 42 TYR C C 42 177.269 177.994 -0.725 1
1 369 . 2 1 1 A 42 42 TYR CA C 42 57.603 60.541 -2.938 1
1 370 . 2 1 1 A 42 42 TYR CB C 42 37.063 38.542 -1.479 1
1 371 . 2 1 1 A 42 42 TYR N N 42 118.666 117.989 0.677 1
1 372 . 2 1 1 A 43 43 TRP H H 43 6.662 7.885 -1.223 1
1 373 . 2 1 1 A 43 43 TRP HA H 43 3.910 4.416 -0.506 1
1 378 . 2 1 1 A 43 43 TRP C C 43 178.823 178.809 0.014 1
1 379 . 2 1 1 A 43 43 TRP CA C 43 59.953 60.173 -0.220 1
1 380 . 2 1 1 A 43 43 TRP CB C 43 30.759 29.951 0.808 1
1 381 . 2 1 1 A 43 43 TRP N N 43 118.990 120.279 -1.289 1
1 383 . 2 1 1 A 44 44 LEU H H 44 8.412 9.189 -0.777 1
1 384 . 2 1 1 A 44 44 LEU HA H 44 4.112 4.229 -0.117 1
1 394 . 2 1 1 A 44 44 LEU C C 44 177.758 178.809 -1.051 1
1 395 . 2 1 1 A 44 44 LEU CA C 44 58.613 58.240 0.373 1
1 396 . 2 1 1 A 44 44 LEU CB C 44 42.004 41.489 0.515 1
1 400 . 2 1 1 A 44 44 LEU N N 44 118.970 121.918 -2.948 1
1 401 . 2 1 1 A 45 45 MET H H 45 7.403 8.331 -0.928 1
1 402 . 2 1 1 A 45 45 MET HA H 45 4.270 4.038 0.232 1
1 403 . 2 1 1 A 45 45 MET C C 45 177.749 178.279 -0.530 1
1 404 . 2 1 1 A 45 45 MET CA C 45 55.159 59.175 -4.016 1
1 405 . 2 1 1 A 45 45 MET CB C 45 26.925 32.812 -5.887 1
1 406 . 2 1 1 A 45 45 MET N N 45 113.618 117.252 -3.634 1
1 407 . 2 1 1 A 46 46 LYS H H 46 7.623 7.573 0.050 1
1 408 . 2 1 1 A 46 46 LYS HA H 46 3.906 3.600 0.306 1
1 409 . 2 1 1 A 46 46 LYS C C 46 178.056 179.344 -1.288 1
1 410 . 2 1 1 A 46 46 LYS CA C 46 61.394 59.678 1.716 1
1 411 . 2 1 1 A 46 46 LYS CB C 46 32.442 31.915 0.527 1
1 412 . 2 1 1 A 46 46 LYS N N 46 119.840 120.128 -0.288 1
1 413 . 2 1 1 A 47 47 GLY H H 47 8.495 8.047 0.448 1
1 414 . 2 1 1 A 47 47 GLY HA2 H 47 3.730 3.510 0.220 1
1 415 . 2 1 1 A 47 47 GLY HA3 H 47 3.612 3.533 0.079 1
1 416 . 2 1 1 A 47 47 GLY C C 47 175.340 175.764 -0.424 1
1 417 . 2 1 1 A 47 47 GLY CA C 47 47.689 47.321 0.368 1
1 418 . 2 1 1 A 47 47 GLY N N 47 105.741 107.324 -1.583 1
1 419 . 2 1 1 A 48 48 LYS H H 48 8.760 7.792 0.968 1
1 420 . 2 1 1 A 48 48 LYS HA H 48 3.969 4.203 -0.234 1
1 428 . 2 1 1 A 48 48 LYS C C 48 180.425 179.037 1.388 1
1 429 . 2 1 1 A 48 48 LYS CA C 48 60.506 59.600 0.906 1
1 430 . 2 1 1 A 48 48 LYS CB C 48 30.964 32.272 -1.308 1
1 433 . 2 1 1 A 48 48 LYS N N 48 122.568 121.740 0.828 1
1 434 . 2 1 1 A 49 49 ALA H H 49 8.668 7.768 0.900 1
1 435 . 2 1 1 A 49 49 ALA HA H 49 4.084 4.157 -0.073 1
1 439 . 2 1 1 A 49 49 ALA C C 49 178.870 180.142 -1.272 1
1 440 . 2 1 1 A 49 49 ALA CA C 49 55.777 55.204 0.573 1
1 441 . 2 1 1 A 49 49 ALA CB C 49 17.702 18.806 -1.104 1
1 442 . 2 1 1 A 49 49 ALA N N 49 124.484 121.805 2.679 1
1 443 . 2 1 1 A 50 50 LEU H H 50 8.192 8.253 -0.061 1
1 444 . 2 1 1 A 50 50 LEU HA H 50 3.771 3.895 -0.124 1
1 454 . 2 1 1 A 50 50 LEU C C 50 179.839 178.733 1.106 1
1 455 . 2 1 1 A 50 50 LEU CA C 50 58.727 57.760 0.967 1
1 456 . 2 1 1 A 50 50 LEU CB C 50 40.549 41.813 -1.264 1
1 460 . 2 1 1 A 50 50 LEU N N 50 118.843 118.183 0.660 1
1 461 . 2 1 1 A 51 51 TYR H H 51 9.282 8.758 0.524 1
1 462 . 2 1 1 A 51 51 TYR HA H 51 3.557 3.806 -0.249 1
1 469 . 2 1 1 A 51 51 TYR C C 51 179.177 177.627 1.550 1
1 470 . 2 1 1 A 51 51 TYR CA C 51 61.878 62.020 -0.142 1
1 471 . 2 1 1 A 51 51 TYR CB C 51 38.249 38.756 -0.507 1
1 472 . 2 1 1 A 51 51 TYR N N 51 122.719 119.466 3.253 1
1 473 . 2 1 1 A 52 52 ASN H H 52 7.882 8.827 -0.945 1
1 474 . 2 1 1 A 52 52 ASN HA H 52 4.084 4.191 -0.107 1
1 477 . 2 1 1 A 52 52 ASN C C 52 175.615 176.969 -1.354 1
1 478 . 2 1 1 A 52 52 ASN CA C 52 55.964 56.303 -0.339 1
1 479 . 2 1 1 A 52 52 ASN CB C 52 37.219 37.972 -0.753 1
1 480 . 2 1 1 A 52 52 ASN N N 52 120.327 117.752 2.575 1
1 481 . 2 1 1 A 53 53 LEU H H 53 7.178 7.435 -0.257 1
1 482 . 2 1 1 A 53 53 LEU HA H 53 4.299 4.100 0.199 1
1 492 . 2 1 1 A 53 53 LEU C C 53 175.095 175.615 -0.520 1
1 493 . 2 1 1 A 53 53 LEU CA C 53 54.112 54.679 -0.567 1
1 494 . 2 1 1 A 53 53 LEU CB C 53 42.548 41.700 0.848 1
1 498 . 2 1 1 A 53 53 LEU N N 53 119.827 117.371 2.456 1
1 499 . 2 1 1 A 54 54 GLU H H 54 7.515 7.765 -0.250 1
1 500 . 2 1 1 A 54 54 GLU C C 54 175.118 175.279 -0.161 1
1 501 . 2 1 1 A 54 54 GLU CA C 54 56.811 57.109 -0.298 1
1 502 . 2 1 1 A 54 54 GLU CB C 54 25.944 26.548 -0.604 1
1 503 . 2 1 1 A 54 54 GLU N N 54 112.799 115.031 -2.232 1
1 504 . 2 1 1 A 55 55 ARG H H 55 7.719 8.031 -0.312 1
1 505 . 2 1 1 A 55 55 ARG HA H 55 4.407 4.473 -0.066 1
1 512 . 2 1 1 A 55 55 ARG C C 55 176.820 176.066 0.754 1
1 513 . 2 1 1 A 55 55 ARG CA C 55 54.493 53.978 0.515 1
1 514 . 2 1 1 A 55 55 ARG CB C 55 29.041 28.522 0.519 1
1 517 . 2 1 1 A 55 55 ARG N N 55 122.369 119.357 3.012 1
1 518 . 2 1 1 A 56 56 TYR H H 56 6.403 7.360 -0.957 1
1 519 . 2 1 1 A 56 56 TYR HA H 56 3.879 4.223 -0.344 1
1 526 . 2 1 1 A 56 56 TYR C C 56 177.879 178.258 -0.379 1
1 527 . 2 1 1 A 56 56 TYR CA C 56 62.080 60.977 1.103 1
1 528 . 2 1 1 A 56 56 TYR CB C 56 38.443 38.089 0.354 1
1 529 . 2 1 1 A 56 56 TYR N N 56 117.128 120.237 -3.109 1
1 530 . 2 1 1 A 57 57 GLU H H 57 9.032 8.238 0.794 1
1 531 . 2 1 1 A 57 57 GLU HA H 57 3.865 3.981 -0.116 1
1 532 . 2 1 1 A 57 57 GLU C C 57 179.417 179.540 -0.123 1
1 533 . 2 1 1 A 57 57 GLU CA C 57 60.722 59.731 0.991 1
1 534 . 2 1 1 A 57 57 GLU CB C 57 29.124 29.291 -0.167 1
1 535 . 2 1 1 A 57 57 GLU N N 57 118.981 120.540 -1.559 1
1 536 . 2 1 1 A 58 58 GLU H H 58 8.286 8.101 0.185 1
1 537 . 2 1 1 A 58 58 GLU HA H 58 4.050 4.237 -0.187 1
1 538 . 2 1 1 A 58 58 GLU C C 58 179.476 179.091 0.385 1
1 539 . 2 1 1 A 58 58 GLU CA C 58 59.289 59.101 0.188 1
1 540 . 2 1 1 A 58 58 GLU CB C 58 31.234 29.423 1.811 1
1 541 . 2 1 1 A 58 58 GLU N N 58 119.123 120.313 -1.190 1
1 542 . 2 1 1 A 59 59 ALA H H 59 8.131 8.727 -0.596 1
1 543 . 2 1 1 A 59 59 ALA HA H 59 3.786 3.929 -0.143 1
1 547 . 2 1 1 A 59 59 ALA C C 59 178.281 179.730 -1.449 1
1 548 . 2 1 1 A 59 59 ALA CA C 59 56.324 55.189 1.135 1
1 549 . 2 1 1 A 59 59 ALA CB C 59 17.444 18.238 -0.794 1
1 550 . 2 1 1 A 59 59 ALA N N 59 124.009 122.730 1.279 1
1 551 . 2 1 1 A 60 60 VAL H H 60 8.079 7.743 0.336 1
1 552 . 2 1 1 A 60 60 VAL HA H 60 3.439 3.570 -0.131 1
1 560 . 2 1 1 A 60 60 VAL C C 60 177.323 177.885 -0.562 1
1 561 . 2 1 1 A 60 60 VAL CA C 60 67.410 66.689 0.721 1
1 562 . 2 1 1 A 60 60 VAL CB C 60 31.259 31.455 -0.196 1
1 565 . 2 1 1 A 60 60 VAL N N 60 116.647 118.168 -1.521 1
1 566 . 2 1 1 A 61 61 ASP H H 61 7.737 8.412 -0.675 1
1 567 . 2 1 1 A 61 61 ASP HA H 61 4.446 4.362 0.084 1
1 570 . 2 1 1 A 61 61 ASP C C 61 179.986 179.132 0.854 1
1 571 . 2 1 1 A 61 61 ASP CA C 61 58.123 57.674 0.449 1
1 572 . 2 1 1 A 61 61 ASP CB C 61 40.160 40.114 0.046 1
1 573 . 2 1 1 A 61 61 ASP N N 61 119.276 119.858 -0.582 1
1 574 . 2 1 1 A 62 62 CYS H H 62 7.387 7.869 -0.482 1
1 575 . 2 1 1 A 62 62 CYS HA H 62 4.337 4.069 0.268 1
1 578 . 2 1 1 A 62 62 CYS C C 62 176.276 177.021 -0.745 1
1 579 . 2 1 1 A 62 62 CYS CA C 62 63.585 63.867 -0.282 1
1 580 . 2 1 1 A 62 62 CYS CB C 62 26.441 27.625 -1.184 1
1 581 . 2 1 1 A 62 62 CYS N N 62 118.794 118.954 -0.160 1
1 582 . 2 1 1 A 63 63 TYR H H 63 7.391 7.375 0.016 1
1 583 . 2 1 1 A 63 63 TYR HA H 63 4.249 4.406 -0.157 1
1 588 . 2 1 1 A 63 63 TYR C C 63 178.113 178.795 -0.682 1
1 589 . 2 1 1 A 63 63 TYR CA C 63 57.994 62.111 -4.117 1
1 590 . 2 1 1 A 63 63 TYR CB C 63 36.288 38.250 -1.962 1
1 591 . 2 1 1 A 63 63 TYR N N 63 119.775 119.084 0.691 1
1 592 . 2 1 1 A 64 64 ASN H H 64 9.121 8.864 0.257 1
1 593 . 2 1 1 A 64 64 ASN HA H 64 4.328 4.509 -0.181 1
1 596 . 2 1 1 A 64 64 ASN C C 64 177.346 177.722 -0.376 1
1 597 . 2 1 1 A 64 64 ASN CA C 64 54.809 56.427 -1.618 1
1 598 . 2 1 1 A 64 64 ASN CB C 64 36.904 38.041 -1.137 1
1 599 . 2 1 1 A 64 64 ASN N N 64 117.343 117.463 -0.120 1
1 600 . 2 1 1 A 65 65 TYR H H 65 7.635 8.200 -0.565 1
1 601 . 2 1 1 A 65 65 TYR HA H 65 3.660 3.964 -0.304 1
1 608 . 2 1 1 A 65 65 TYR C C 65 178.599 176.785 1.814 1
1 609 . 2 1 1 A 65 65 TYR CA C 65 62.267 61.376 0.891 1
1 610 . 2 1 1 A 65 65 TYR CB C 65 37.886 38.490 -0.604 1
1 611 . 2 1 1 A 65 65 TYR N N 65 124.181 122.359 1.822 1
1 612 . 2 1 1 A 66 66 VAL H H 66 7.093 8.492 -1.399 1
1 613 . 2 1 1 A 66 66 VAL HA H 66 3.316 3.671 -0.355 1
1 621 . 2 1 1 A 66 66 VAL C C 66 177.070 178.493 -1.423 1
1 622 . 2 1 1 A 66 66 VAL CA C 66 65.944 67.042 -1.098 1
1 623 . 2 1 1 A 66 66 VAL CB C 66 31.613 31.710 -0.097 1
1 626 . 2 1 1 A 66 66 VAL N N 66 119.247 119.487 -0.240 1
1 627 . 2 1 1 A 67 67 ILE H H 67 7.640 8.651 -1.011 1
1 628 . 2 1 1 A 67 67 ILE HA H 67 3.056 3.719 -0.663 1
1 638 . 2 1 1 A 67 67 ILE C C 67 176.822 178.610 -1.788 1
1 639 . 2 1 1 A 67 67 ILE CA C 67 64.902 65.208 -0.306 1
1 640 . 2 1 1 A 67 67 ILE CB C 67 39.444 37.544 1.900 1
1 644 . 2 1 1 A 67 67 ILE N N 67 117.814 120.256 -2.442 1
1 645 . 2 1 1 A 68 68 ASN H H 68 8.587 8.611 -0.024 1
1 646 . 2 1 1 A 68 68 ASN HA H 68 4.564 4.438 0.126 1
1 649 . 2 1 1 A 68 68 ASN C C 68 176.007 177.835 -1.828 1
1 650 . 2 1 1 A 68 68 ASN CA C 68 54.569 55.709 -1.140 1
1 651 . 2 1 1 A 68 68 ASN CB C 68 39.424 38.334 1.090 1
1 652 . 2 1 1 A 68 68 ASN N N 68 112.692 119.230 -6.538 1
1 653 . 2 1 1 A 69 69 VAL H H 69 7.607 7.908 -0.301 1
1 654 . 2 1 1 A 69 69 VAL HA H 69 3.813 3.479 0.334 1
1 661 . 2 1 1 A 69 69 VAL C C 69 177.490 176.065 1.425 1
1 662 . 2 1 1 A 69 69 VAL CA C 69 64.763 66.498 -1.735 1
1 663 . 2 1 1 A 69 69 VAL CB C 69 30.804 31.431 -0.627 1
1 666 . 2 1 1 A 69 69 VAL N N 69 119.569 116.644 2.925 1
1 667 . 2 1 1 A 70 70 ILE H H 70 7.489 7.884 -0.395 1
1 668 . 2 1 1 A 70 70 ILE HA H 70 3.635 4.314 -0.679 1
1 678 . 2 1 1 A 70 70 ILE C C 70 176.523 176.416 0.107 1
1 679 . 2 1 1 A 70 70 ILE CA C 70 64.090 60.457 3.633 1
1 680 . 2 1 1 A 70 70 ILE CB C 70 37.026 38.602 -1.576 1
1 684 . 2 1 1 A 70 70 ILE N N 70 119.276 120.442 -1.166 1
1 685 . 2 1 1 A 71 71 GLU H H 71 6.641 8.850 -2.209 1
1 686 . 2 1 1 A 71 71 GLU HA H 71 3.865 4.204 -0.339 1
1 690 . 2 1 1 A 71 71 GLU C C 71 176.415 177.305 -0.890 1
1 691 . 2 1 1 A 71 71 GLU CA C 71 57.229 57.373 -0.144 1
1 692 . 2 1 1 A 71 71 GLU CB C 71 26.142 28.384 -2.242 1
1 694 . 2 1 1 A 71 71 GLU N N 71 110.179 127.718 -17.539 1
1 695 . 2 1 1 A 72 72 ASP H H 72 7.744 8.310 -0.566 1
1 696 . 2 1 1 A 72 72 ASP HA H 72 4.813 4.212 0.601 1
1 699 . 2 1 1 A 72 72 ASP C C 72 176.230 176.104 0.126 1
1 700 . 2 1 1 A 72 72 ASP CA C 72 52.203 57.155 -4.952 1
1 701 . 2 1 1 A 72 72 ASP CB C 72 39.256 41.226 -1.970 1
1 702 . 2 1 1 A 72 72 ASP N N 72 121.733 121.884 -0.151 1
1 703 . 2 1 1 A 73 73 GLU H H 73 7.510 8.271 -0.761 1
1 704 . 2 1 1 A 73 73 GLU HA H 73 3.946 4.377 -0.431 1
1 709 . 2 1 1 A 73 73 GLU C C 73 176.745 175.666 1.079 1
1 710 . 2 1 1 A 73 73 GLU CA C 73 58.303 57.546 0.757 1
1 711 . 2 1 1 A 73 73 GLU CB C 73 30.664 28.824 1.840 1
1 713 . 2 1 1 A 73 73 GLU N N 73 116.724 117.563 -0.839 1
1 714 . 2 1 1 A 74 74 TYR H H 74 8.794 8.030 0.764 1
1 715 . 2 1 1 A 74 74 TYR HA H 74 4.875 4.337 0.538 1
1 722 . 2 1 1 A 74 74 TYR C C 74 174.879 174.454 0.425 1
1 723 . 2 1 1 A 74 74 TYR CA C 74 56.732 56.876 -0.144 1
1 724 . 2 1 1 A 74 74 TYR CB C 74 37.069 39.740 -2.671 1
1 725 . 2 1 1 A 74 74 TYR N N 74 120.080 119.351 0.729 1
1 726 . 2 1 1 A 75 75 ASN H H 75 7.237 7.357 -0.120 1
1 727 . 2 1 1 A 75 75 ASN HA H 75 4.601 4.641 -0.040 1
1 730 . 2 1 1 A 75 75 ASN C C 75 175.146 174.716 0.430 1
1 731 . 2 1 1 A 75 75 ASN CA C 75 53.124 51.867 1.257 1
1 732 . 2 1 1 A 75 75 ASN CB C 75 37.755 38.412 -0.657 1
1 733 . 2 1 1 A 75 75 ASN N N 75 118.665 119.515 -0.850 1
1 734 . 2 1 1 A 76 76 LYS H H 76 8.672 8.361 0.311 1
1 735 . 2 1 1 A 76 76 LYS HA H 76 4.077 3.682 0.395 1
1 742 . 2 1 1 A 76 76 LYS C C 76 177.773 178.109 -0.336 1
1 743 . 2 1 1 A 76 76 LYS CA C 76 60.060 59.510 0.550 1
1 744 . 2 1 1 A 76 76 LYS CB C 76 37.827 32.079 5.748 1
1 748 . 2 1 1 A 76 76 LYS N N 76 127.868 125.659 2.209 1
1 749 . 2 1 1 A 77 77 ASP H H 77 7.946 7.860 0.086 1
1 750 . 2 1 1 A 77 77 ASP HA H 77 4.414 4.429 -0.015 1
1 753 . 2 1 1 A 77 77 ASP C C 77 179.265 178.788 0.477 1
1 754 . 2 1 1 A 77 77 ASP CA C 77 57.127 56.949 0.178 1
1 755 . 2 1 1 A 77 77 ASP CB C 77 40.634 40.821 -0.187 1
1 756 . 2 1 1 A 77 77 ASP N N 77 117.883 119.578 -1.695 1
1 757 . 2 1 1 A 78 78 VAL H H 78 7.653 8.108 -0.455 1
1 758 . 2 1 1 A 78 78 VAL HA H 78 3.282 3.536 -0.254 1
1 766 . 2 1 1 A 78 78 VAL C C 78 176.624 178.096 -1.472 1
1 767 . 2 1 1 A 78 78 VAL CA C 78 65.531 66.327 -0.796 1
1 768 . 2 1 1 A 78 78 VAL CB C 78 31.290 31.703 -0.413 1
1 771 . 2 1 1 A 78 78 VAL N N 78 121.259 119.915 1.344 1
1 772 . 2 1 1 A 79 79 TRP H H 79 7.626 8.295 -0.669 1
1 773 . 2 1 1 A 79 79 TRP HA H 79 4.107 4.376 -0.269 1
1 778 . 2 1 1 A 79 79 TRP C C 79 177.932 178.720 -0.788 1
1 779 . 2 1 1 A 79 79 TRP CA C 79 61.491 59.778 1.713 1
1 780 . 2 1 1 A 79 79 TRP CB C 79 28.665 28.969 -0.304 1
1 781 . 2 1 1 A 79 79 TRP N N 79 120.388 120.010 0.378 1
1 783 . 2 1 1 A 80 80 ALA H H 80 8.296 8.597 -0.301 1
1 784 . 2 1 1 A 80 80 ALA HA H 80 3.898 3.869 0.029 1
1 788 . 2 1 1 A 80 80 ALA C C 80 176.556 179.512 -2.956 1
1 789 . 2 1 1 A 80 80 ALA CA C 80 55.158 55.344 -0.186 1
1 790 . 2 1 1 A 80 80 ALA CB C 80 18.155 18.083 0.072 1
1 791 . 2 1 1 A 80 80 ALA N N 80 120.453 121.402 -0.949 1
1 792 . 2 1 1 A 81 81 ALA H H 81 7.405 7.870 -0.465 1
1 793 . 2 1 1 A 81 81 ALA HA H 81 3.837 3.887 -0.050 1
1 797 . 2 1 1 A 81 81 ALA C C 81 180.646 178.856 1.790 1
1 798 . 2 1 1 A 81 81 ALA CA C 81 55.028 55.197 -0.169 1
1 799 . 2 1 1 A 81 81 ALA CB C 81 15.649 17.940 -2.291 1
1 800 . 2 1 1 A 81 81 ALA N N 81 120.915 120.211 0.704 1
1 801 . 2 1 1 A 82 82 LYS H H 82 8.244 7.722 0.522 1
1 802 . 2 1 1 A 82 82 LYS HA H 82 3.853 3.868 -0.015 1
1 811 . 2 1 1 A 82 82 LYS C C 82 177.176 178.352 -1.176 1
1 812 . 2 1 1 A 82 82 LYS CA C 82 60.577 59.050 1.527 1
1 813 . 2 1 1 A 82 82 LYS CB C 82 32.243 32.281 -0.038 1
1 816 . 2 1 1 A 82 82 LYS N N 82 121.979 118.048 3.931 1
1 817 . 2 1 1 A 83 83 ALA H H 83 8.422 8.124 0.298 1
1 818 . 2 1 1 A 83 83 ALA HA H 83 3.894 4.078 -0.184 1
1 822 . 2 1 1 A 83 83 ALA C C 83 178.746 178.849 -0.103 1
1 823 . 2 1 1 A 83 83 ALA CA C 83 56.268 55.183 1.085 1
1 824 . 2 1 1 A 83 83 ALA CB C 83 17.700 18.258 -0.558 1
1 825 . 2 1 1 A 83 83 ALA N N 83 121.419 121.559 -0.140 1
1 826 . 2 1 1 A 84 84 ASP H H 84 7.481 8.127 -0.646 1
1 827 . 2 1 1 A 84 84 ASP HA H 84 4.377 4.422 -0.045 1
1 828 . 2 1 1 A 84 84 ASP C C 84 178.394 178.472 -0.078 1
1 829 . 2 1 1 A 84 84 ASP CA C 84 56.946 57.497 -0.551 1
1 830 . 2 1 1 A 84 84 ASP CB C 84 40.351 41.832 -1.481 1
1 831 . 2 1 1 A 84 84 ASP N N 84 114.693 118.245 -3.552 1
1 832 . 2 1 1 A 85 85 ALA H H 85 7.680 7.691 -0.011 1
1 833 . 2 1 1 A 85 85 ALA HA H 85 4.521 4.699 -0.178 1
1 837 . 2 1 1 A 85 85 ALA C C 85 179.100 180.928 -1.828 1
1 838 . 2 1 1 A 85 85 ALA CA C 85 55.819 55.332 0.487 1
1 839 . 2 1 1 A 85 85 ALA CB C 85 19.257 18.750 0.507 1
1 840 . 2 1 1 A 85 85 ALA N N 85 119.105 121.750 -2.645 1
1 841 . 2 1 1 A 86 86 LEU H H 86 8.516 8.188 0.328 1
1 842 . 2 1 1 A 86 86 LEU HA H 86 3.919 4.071 -0.152 1
1 852 . 2 1 1 A 86 86 LEU C C 86 178.767 178.831 -0.064 1
1 853 . 2 1 1 A 86 86 LEU CA C 86 48.892 57.514 -8.622 1
1 854 . 2 1 1 A 86 86 LEU CB C 86 43.011 41.313 1.698 1
1 858 . 2 1 1 A 86 86 LEU N N 86 115.208 119.001 -3.793 1
1 859 . 2 1 1 A 87 87 ARG H H 87 7.329 8.109 -0.780 1
1 860 . 2 1 1 A 87 87 ARG HA H 87 3.851 3.936 -0.085 1
1 867 . 2 1 1 A 87 87 ARG C C 87 176.800 175.886 0.914 1
1 868 . 2 1 1 A 87 87 ARG CA C 87 58.315 58.020 0.295 1
1 869 . 2 1 1 A 87 87 ARG CB C 87 27.514 30.050 -2.536 1
1 872 . 2 1 1 A 87 87 ARG N N 87 115.227 119.629 -4.402 1
1 873 . 2 1 1 A 88 88 TYR H H 88 7.201 7.432 -0.231 1
1 874 . 2 1 1 A 88 88 TYR HA H 88 4.193 4.673 -0.480 1
1 881 . 2 1 1 A 88 88 TYR C C 88 174.958 173.591 1.367 1
1 882 . 2 1 1 A 88 88 TYR CA C 88 58.463 56.167 2.296 1
1 883 . 2 1 1 A 88 88 TYR CB C 88 38.457 37.809 0.648 1
1 884 . 2 1 1 A 88 88 TYR N N 88 115.558 116.337 -0.779 1
1 885 . 2 1 1 A 89 89 ILE H H 89 7.374 8.152 -0.778 1
1 886 . 2 1 1 A 89 89 ILE HA H 89 4.175 4.840 -0.665 1
1 895 . 2 1 1 A 89 89 ILE C C 89 174.900 173.746 1.154 1
1 896 . 2 1 1 A 89 89 ILE CA C 89 60.978 59.608 1.370 1
1 897 . 2 1 1 A 89 89 ILE CB C 89 38.945 42.131 -3.186 1
1 901 . 2 1 1 A 89 89 ILE N N 89 122.120 123.233 -1.113 1
1 902 . 2 1 1 A 90 90 GLU H H 90 8.655 8.709 -0.054 1
1 903 . 2 1 1 A 90 90 GLU HA H 90 4.159 4.487 -0.328 1
1 905 . 2 1 1 A 90 90 GLU CA C 90 57.914 56.407 1.507 1
1 906 . 2 1 1 A 90 90 GLU CB C 90 29.894 29.240 0.654 1
1 907 . 2 1 1 A 90 90 GLU N N 90 128.417 129.452 -1.035 1
1 908 . 2 1 1 A 91 91 GLY H H 91 9.089 7.799 1.290 1
1 909 . 2 1 1 A 91 91 GLY HA2 H 91 4.293 4.164 0.129 1
1 910 . 2 1 1 A 91 91 GLY HA3 H 91 4.039 4.165 -0.126 1
1 911 . 2 1 1 A 91 91 GLY CA C 91 45.756 45.896 -0.140 1
1 912 . 2 1 1 A 91 91 GLY N N 91 112.760 113.066 -0.306 1
1 913 . 2 1 1 A 93 93 GLU C C 93 176.315 178.338 -2.023 1
1 914 . 2 1 1 A 94 94 VAL H H 94 8.288 7.938 0.350 1
1 915 . 2 1 1 A 94 94 VAL HA H 94 3.800 3.809 -0.009 1
1 920 . 2 1 1 A 94 94 VAL C C 94 178.292 177.387 0.905 1
1 921 . 2 1 1 A 94 94 VAL CA C 94 56.374 64.452 -8.078 1
1 922 . 2 1 1 A 94 94 VAL CB C 94 31.630 31.112 0.518 1
1 923 . 2 1 1 A 94 94 VAL N N 94 119.837 120.651 -0.814 1
1 924 . 2 1 1 A 95 95 GLU H H 95 8.207 8.482 -0.275 1
1 925 . 2 1 1 A 95 95 GLU HA H 95 3.931 3.959 -0.028 1
1 927 . 2 1 1 A 95 95 GLU C C 95 179.514 179.151 0.363 1
1 928 . 2 1 1 A 95 95 GLU CA C 95 60.215 59.514 0.701 1
1 929 . 2 1 1 A 95 95 GLU CB C 95 29.419 29.106 0.313 1
1 930 . 2 1 1 A 95 95 GLU N N 95 120.805 122.294 -1.489 1
1 931 . 2 1 1 A 96 96 ALA H H 96 8.839 8.025 0.814 1
1 932 . 2 1 1 A 96 96 ALA HA H 96 4.029 4.009 0.020 1
1 936 . 2 1 1 A 96 96 ALA C C 96 179.047 179.705 -0.658 1
1 937 . 2 1 1 A 96 96 ALA CA C 96 54.866 54.859 0.007 1
1 938 . 2 1 1 A 96 96 ALA CB C 96 17.667 18.245 -0.578 1
1 939 . 2 1 1 A 96 96 ALA N N 96 123.226 122.076 1.150 1
1 940 . 2 1 1 A 97 97 GLU H H 97 7.763 8.020 -0.257 1
1 941 . 2 1 1 A 97 97 GLU HA H 97 4.055 4.057 -0.002 1
1 943 . 2 1 1 A 97 97 GLU C C 97 178.015 178.908 -0.893 1
1 944 . 2 1 1 A 97 97 GLU CA C 97 59.138 59.078 0.060 1
1 945 . 2 1 1 A 97 97 GLU CB C 97 29.588 29.496 0.092 1
1 946 . 2 1 1 A 97 97 GLU N N 97 118.606 118.119 0.487 1
1 947 . 2 1 1 A 98 98 ILE H H 98 8.118 7.734 0.384 1
1 948 . 2 1 1 A 98 98 ILE HA H 98 3.657 3.738 -0.081 1
1 958 . 2 1 1 A 98 98 ILE C C 98 178.015 177.874 0.141 1
1 959 . 2 1 1 A 98 98 ILE CA C 98 64.831 65.554 -0.723 1
1 960 . 2 1 1 A 98 98 ILE CB C 98 38.402 37.907 0.495 1
1 964 . 2 1 1 A 98 98 ILE N N 98 122.339 119.750 2.589 1
1 965 . 2 1 1 A 99 99 ALA H H 99 8.117 8.023 0.094 1
1 966 . 2 1 1 A 99 99 ALA HA H 99 4.210 3.924 0.286 1
1 970 . 2 1 1 A 99 99 ALA C C 99 178.762 179.084 -0.322 1
1 971 . 2 1 1 A 99 99 ALA CA C 99 55.360 55.515 -0.155 1
1 972 . 2 1 1 A 99 99 ALA CB C 99 17.499 18.148 -0.649 1
1 973 . 2 1 1 A 99 99 ALA N N 99 122.357 122.483 -0.126 1
1 974 . 2 1 1 A 100 100 GLU H H 100 8.345 8.503 -0.158 1
1 975 . 2 1 1 A 100 100 GLU HA H 100 3.787 4.017 -0.230 1
1 978 . 2 1 1 A 100 100 GLU C C 100 178.463 178.615 -0.152 1
1 979 . 2 1 1 A 100 100 GLU CA C 100 59.063 59.299 -0.236 1
1 980 . 2 1 1 A 100 100 GLU CB C 100 29.670 29.400 0.270 1
1 981 . 2 1 1 A 100 100 GLU N N 100 118.391 117.997 0.394 1
1 982 . 2 1 1 A 101 101 ALA H H 101 7.693 8.542 -0.849 1
1 983 . 2 1 1 A 101 101 ALA HA H 101 4.111 4.026 0.085 1
1 987 . 2 1 1 A 101 101 ALA C C 101 180.967 179.534 1.433 1
1 988 . 2 1 1 A 101 101 ALA CA C 101 54.383 55.349 -0.966 1
1 989 . 2 1 1 A 101 101 ALA CB C 101 18.097 18.159 -0.062 1
1 990 . 2 1 1 A 101 101 ALA N N 101 120.699 121.420 -0.721 1
1 991 . 2 1 1 A 102 102 ARG H H 102 7.959 8.659 -0.700 1
1 992 . 2 1 1 A 102 102 ARG HA H 102 3.705 4.059 -0.354 1
1 993 . 2 1 1 A 102 102 ARG C C 102 178.310 178.258 0.052 1
1 994 . 2 1 1 A 102 102 ARG CA C 102 57.696 59.028 -1.332 1
1 995 . 2 1 1 A 102 102 ARG CB C 102 28.404 29.881 -1.477 1
1 996 . 2 1 1 A 102 102 ARG N N 102 118.386 118.943 -0.557 1
1 997 . 2 1 1 A 103 103 ALA H H 103 7.896 8.839 -0.943 1
1 998 . 2 1 1 A 103 103 ALA HA H 103 4.108 4.386 -0.278 1
1 1002 . 2 1 1 A 103 103 ALA C C 103 178.184 179.574 -1.390 1
1 1003 . 2 1 1 A 103 103 ALA CA C 103 54.210 55.227 -1.017 1
1 1004 . 2 1 1 A 103 103 ALA CB C 103 18.430 18.343 0.087 1
1 1005 . 2 1 1 A 103 103 ALA N N 103 120.630 122.061 -1.431 1
1 1006 . 2 1 1 A 104 104 LYS H H 104 7.337 7.595 -0.258 1
1 1007 . 2 1 1 A 104 104 LYS HA H 104 4.150 4.233 -0.083 1
1 1013 . 2 1 1 A 104 104 LYS C C 104 177.211 176.177 1.034 1
1 1014 . 2 1 1 A 104 104 LYS CA C 104 56.429 59.141 -2.712 1
1 1015 . 2 1 1 A 104 104 LYS CB C 104 32.810 32.557 0.253 1
1 1018 . 2 1 1 A 104 104 LYS N N 104 115.288 117.684 -2.396 1
1 1019 . 2 1 1 A 105 105 LEU H H 105 7.511 8.783 -1.272 1
1 1020 . 2 1 1 A 105 105 LEU HA H 105 4.162 4.292 -0.130 1
1 1030 . 2 1 1 A 105 105 LEU C C 105 177.260 175.694 1.566 1
1 1031 . 2 1 1 A 105 105 LEU CA C 105 56.227 57.003 -0.776 1
1 1032 . 2 1 1 A 105 105 LEU CB C 105 42.365 41.129 1.236 1
1 1036 . 2 1 1 A 105 105 LEU N N 105 120.938 119.355 1.583 1
1 1037 . 2 1 1 A 106 106 GLU H H 106 8.283 8.340 -0.057 1
1 1038 . 2 1 1 A 106 106 GLU HA H 106 4.167 4.389 -0.222 1
1 1041 . 2 1 1 A 106 106 GLU C C 106 173.877 175.757 -1.880 1
1 1042 . 2 1 1 A 106 106 GLU CA C 106 55.862 56.998 -1.136 1
1 1043 . 2 1 1 A 106 106 GLU CB C 106 30.289 30.438 -0.149 1
1 1044 . 2 1 1 A 106 106 GLU N N 106 121.004 121.616 -0.612 1
1 1045 . 2 1 1 A 107 107 HIS H H 107 8.128 8.672 -0.544 1
1 1046 . 2 1 1 A 107 107 HIS CA C 107 57.258 57.072 0.186 1
1 1047 . 2 1 1 A 107 107 HIS CB C 107 30.252 31.788 -1.536 1
1 1 . 3 1 1 A 6 6 PRO HA H 6 4.310 4.653 -0.343 1
1 8 . 3 1 1 A 6 6 PRO C C 6 177.583 177.385 0.198 1
1 9 . 3 1 1 A 6 6 PRO CA C 6 65.455 63.192 2.263 1
1 10 . 3 1 1 A 6 6 PRO CB C 6 31.231 29.995 1.236 1
1 13 . 3 1 1 A 7 7 GLU H H 7 8.058 9.303 -1.245 1
1 14 . 3 1 1 A 7 7 GLU HA H 7 4.314 4.188 0.126 1
1 15 . 3 1 1 A 7 7 GLU C C 7 178.814 178.640 0.174 1
1 16 . 3 1 1 A 7 7 GLU CA C 7 58.577 59.280 -0.703 1
1 17 . 3 1 1 A 7 7 GLU CB C 7 29.806 29.441 0.365 1
1 18 . 3 1 1 A 7 7 GLU N N 7 116.393 121.197 -4.804 1
1 19 . 3 1 1 A 8 8 GLU H H 8 7.458 7.950 -0.492 1
1 20 . 3 1 1 A 8 8 GLU HA H 8 4.029 4.254 -0.225 1
1 21 . 3 1 1 A 8 8 GLU C C 8 179.794 178.954 0.840 1
1 22 . 3 1 1 A 8 8 GLU CA C 8 59.369 59.044 0.325 1
1 23 . 3 1 1 A 8 8 GLU CB C 8 29.455 29.555 -0.100 1
1 24 . 3 1 1 A 8 8 GLU N N 8 117.887 118.991 -1.104 1
1 25 . 3 1 1 A 9 9 TYR H H 9 6.889 8.208 -1.319 1
1 26 . 3 1 1 A 9 9 TYR HA H 9 4.301 4.304 -0.003 1
1 33 . 3 1 1 A 9 9 TYR C C 9 177.756 177.938 -0.182 1
1 34 . 3 1 1 A 9 9 TYR CA C 9 60.754 60.695 0.059 1
1 35 . 3 1 1 A 9 9 TYR CB C 9 37.319 37.329 -0.010 1
1 36 . 3 1 1 A 9 9 TYR N N 9 117.876 119.677 -1.801 1
1 37 . 3 1 1 A 10 10 TYR H H 10 8.138 8.201 -0.063 1
1 38 . 3 1 1 A 10 10 TYR HA H 10 4.018 4.421 -0.403 1
1 45 . 3 1 1 A 10 10 TYR C C 10 176.231 177.389 -1.158 1
1 46 . 3 1 1 A 10 10 TYR CA C 10 62.031 59.982 2.049 1
1 47 . 3 1 1 A 10 10 TYR CB C 10 38.951 37.176 1.775 1
1 48 . 3 1 1 A 10 10 TYR N N 10 118.874 120.342 -1.468 1
1 49 . 3 1 1 A 11 11 LEU H H 11 8.597 7.458 1.139 1
1 50 . 3 1 1 A 11 11 LEU HA H 11 3.797 3.332 0.465 1
1 60 . 3 1 1 A 11 11 LEU C C 11 180.257 178.338 1.919 1
1 61 . 3 1 1 A 11 11 LEU CA C 11 58.295 57.330 0.965 1
1 62 . 3 1 1 A 11 11 LEU CB C 11 41.541 41.184 0.357 1
1 66 . 3 1 1 A 11 11 LEU N N 11 119.267 119.055 0.212 1
1 67 . 3 1 1 A 12 12 GLU H H 12 7.640 7.801 -0.161 1
1 68 . 3 1 1 A 12 12 GLU HA H 12 4.033 3.788 0.245 1
1 69 . 3 1 1 A 12 12 GLU C C 12 179.050 179.300 -0.250 1
1 70 . 3 1 1 A 12 12 GLU CA C 12 59.137 59.486 -0.349 1
1 71 . 3 1 1 A 12 12 GLU CB C 12 29.351 29.138 0.213 1
1 72 . 3 1 1 A 12 12 GLU N N 12 119.459 118.966 0.493 1
1 73 . 3 1 1 A 13 13 GLY H H 13 8.624 8.599 0.025 1
1 74 . 3 1 1 A 13 13 GLY HA2 H 13 3.083 3.794 -0.711 1
1 75 . 3 1 1 A 13 13 GLY HA3 H 13 2.863 3.824 -0.961 1
1 76 . 3 1 1 A 13 13 GLY C C 13 175.651 176.285 -0.634 1
1 77 . 3 1 1 A 13 13 GLY CA C 13 48.592 47.312 1.280 1
1 78 . 3 1 1 A 13 13 GLY N N 13 110.175 107.852 2.323 1
1 79 . 3 1 1 A 14 14 VAL H H 14 8.757 7.577 1.180 1
1 80 . 3 1 1 A 14 14 VAL HA H 14 3.532 3.728 -0.196 1
1 88 . 3 1 1 A 14 14 VAL C C 14 177.103 177.489 -0.386 1
1 89 . 3 1 1 A 14 14 VAL CA C 14 67.661 65.735 1.926 1
1 90 . 3 1 1 A 14 14 VAL CB C 14 31.430 31.793 -0.363 1
1 93 . 3 1 1 A 14 14 VAL N N 14 124.361 121.704 2.657 1
1 94 . 3 1 1 A 15 15 LEU H H 15 7.555 7.810 -0.255 1
1 95 . 3 1 1 A 15 15 LEU HA H 15 4.089 3.849 0.240 1
1 105 . 3 1 1 A 15 15 LEU C C 15 181.353 178.841 2.512 1
1 106 . 3 1 1 A 15 15 LEU CA C 15 58.775 57.975 0.800 1
1 107 . 3 1 1 A 15 15 LEU CB C 15 39.871 41.775 -1.904 1
1 111 . 3 1 1 A 15 15 LEU N N 15 119.975 119.837 0.138 1
1 112 . 3 1 1 A 16 16 GLN H H 16 7.878 7.798 0.080 1
1 113 . 3 1 1 A 16 16 GLN C C 16 177.675 177.275 0.400 1
1 114 . 3 1 1 A 16 16 GLN CA C 16 58.023 59.165 -1.142 1
1 115 . 3 1 1 A 16 16 GLN CB C 16 27.162 28.694 -1.532 1
1 116 . 3 1 1 A 16 16 GLN N N 16 117.171 117.761 -0.590 1
1 117 . 3 1 1 A 17 17 TYR H H 17 9.044 7.657 1.387 1
1 118 . 3 1 1 A 17 17 TYR HA H 17 3.637 4.116 -0.479 1
1 125 . 3 1 1 A 17 17 TYR C C 17 179.591 176.711 2.880 1
1 126 . 3 1 1 A 17 17 TYR CA C 17 62.233 61.931 0.302 1
1 127 . 3 1 1 A 17 17 TYR CB C 17 38.759 38.744 0.015 1
1 128 . 3 1 1 A 17 17 TYR N N 17 124.139 120.900 3.239 1
1 129 . 3 1 1 A 18 18 ASP H H 18 9.408 8.651 0.757 1
1 130 . 3 1 1 A 18 18 ASP HA H 18 4.392 4.391 0.001 1
1 133 . 3 1 1 A 18 18 ASP C C 18 177.432 177.333 0.099 1
1 134 . 3 1 1 A 18 18 ASP CA C 18 57.155 56.565 0.590 1
1 135 . 3 1 1 A 18 18 ASP CB C 18 39.901 41.173 -1.272 1
1 136 . 3 1 1 A 18 18 ASP N N 18 122.934 119.398 3.536 1
1 137 . 3 1 1 A 19 19 ALA H H 19 7.264 7.799 -0.535 1
1 138 . 3 1 1 A 19 19 ALA HA H 19 4.294 4.261 0.033 1
1 142 . 3 1 1 A 19 19 ALA C C 19 177.336 177.734 -0.398 1
1 143 . 3 1 1 A 19 19 ALA CA C 19 52.171 51.457 0.714 1
1 144 . 3 1 1 A 19 19 ALA CB C 19 18.870 18.472 0.398 1
1 145 . 3 1 1 A 19 19 ALA N N 19 119.827 120.453 -0.626 1
1 146 . 3 1 1 A 20 20 GLY H H 20 7.667 8.687 -1.020 1
1 147 . 3 1 1 A 20 20 GLY HA2 H 20 3.844 3.470 0.374 1
1 148 . 3 1 1 A 20 20 GLY HA3 H 20 2.653 3.725 -1.072 1
1 149 . 3 1 1 A 20 20 GLY C C 20 173.498 174.013 -0.515 1
1 150 . 3 1 1 A 20 20 GLY CA C 20 44.003 46.961 -2.958 1
1 151 . 3 1 1 A 20 20 GLY N N 20 106.574 111.523 -4.949 1
1 152 . 3 1 1 A 21 21 ASN H H 21 7.998 8.252 -0.254 1
1 153 . 3 1 1 A 21 21 ASN HA H 21 4.884 5.061 -0.177 1
1 156 . 3 1 1 A 21 21 ASN C C 21 175.654 175.258 0.396 1
1 157 . 3 1 1 A 21 21 ASN CA C 21 50.397 51.903 -1.506 1
1 158 . 3 1 1 A 21 21 ASN CB C 21 35.866 37.922 -2.056 1
1 159 . 3 1 1 A 21 21 ASN N N 21 121.852 118.317 3.535 1
1 160 . 3 1 1 A 22 22 TYR H H 22 7.024 7.757 -0.733 1
1 161 . 3 1 1 A 22 22 TYR HA H 22 4.203 4.176 0.027 1
1 166 . 3 1 1 A 22 22 TYR C C 22 179.639 177.989 1.650 1
1 167 . 3 1 1 A 22 22 TYR CA C 22 61.732 60.508 1.224 1
1 168 . 3 1 1 A 22 22 TYR CB C 22 37.840 38.251 -0.411 1
1 169 . 3 1 1 A 22 22 TYR N N 22 119.554 120.325 -0.771 1
1 170 . 3 1 1 A 23 23 THR H H 23 9.025 8.356 0.669 1
1 171 . 3 1 1 A 23 23 THR HA H 23 3.742 3.957 -0.215 1
1 176 . 3 1 1 A 23 23 THR C C 23 176.384 176.084 0.300 1
1 177 . 3 1 1 A 23 23 THR CA C 23 67.528 67.239 0.289 1
1 178 . 3 1 1 A 23 23 THR CB C 23 67.962 68.587 -0.625 1
1 180 . 3 1 1 A 23 23 THR N N 23 117.377 116.165 1.212 1
1 181 . 3 1 1 A 24 24 GLU H H 24 8.762 8.262 0.500 1
1 182 . 3 1 1 A 24 24 GLU HA H 24 3.959 3.938 0.021 1
1 183 . 3 1 1 A 24 24 GLU C C 24 179.843 178.513 1.330 1
1 184 . 3 1 1 A 24 24 GLU CA C 24 60.243 59.739 0.504 1
1 185 . 3 1 1 A 24 24 GLU CB C 24 28.510 29.395 -0.885 1
1 186 . 3 1 1 A 24 24 GLU N N 24 123.212 122.127 1.085 1
1 187 . 3 1 1 A 25 25 SER H H 25 8.152 8.137 0.015 1
1 188 . 3 1 1 A 25 25 SER HA H 25 4.057 4.460 -0.403 1
1 190 . 3 1 1 A 25 25 SER C C 25 174.017 177.475 -3.458 1
1 191 . 3 1 1 A 25 25 SER CA C 25 62.319 61.739 0.580 1
1 192 . 3 1 1 A 25 25 SER CB C 25 62.345 62.587 -0.242 1
1 193 . 3 1 1 A 25 25 SER N N 25 115.914 115.406 0.508 1
1 194 . 3 1 1 A 26 26 ILE H H 26 7.593 7.917 -0.324 1
1 195 . 3 1 1 A 26 26 ILE HA H 26 3.560 3.748 -0.188 1
1 204 . 3 1 1 A 26 26 ILE C C 26 176.788 177.933 -1.145 1
1 205 . 3 1 1 A 26 26 ILE CA C 26 66.713 65.217 1.496 1
1 206 . 3 1 1 A 26 26 ILE CB C 26 36.519 37.677 -1.158 1
1 210 . 3 1 1 A 26 26 ILE N N 26 122.676 123.093 -0.417 1
1 211 . 3 1 1 A 27 27 ASP H H 27 6.944 8.120 -1.176 1
1 212 . 3 1 1 A 27 27 ASP HA H 27 4.239 4.517 -0.278 1
1 214 . 3 1 1 A 27 27 ASP C C 27 178.538 179.173 -0.635 1
1 215 . 3 1 1 A 27 27 ASP CA C 27 57.449 57.073 0.376 1
1 216 . 3 1 1 A 27 27 ASP CB C 27 40.758 40.859 -0.101 1
1 217 . 3 1 1 A 27 27 ASP N N 27 118.062 121.118 -3.056 1
1 218 . 3 1 1 A 28 28 LEU H H 28 6.971 8.082 -1.111 1
1 219 . 3 1 1 A 28 28 LEU HA H 28 3.776 3.998 -0.222 1
1 229 . 3 1 1 A 28 28 LEU C C 28 178.716 179.323 -0.607 1
1 230 . 3 1 1 A 28 28 LEU CA C 28 58.135 57.892 0.243 1
1 231 . 3 1 1 A 28 28 LEU CB C 28 40.491 42.373 -1.882 1
1 235 . 3 1 1 A 28 28 LEU N N 28 120.290 120.123 0.167 1
1 236 . 3 1 1 A 29 29 PHE H H 29 8.520 8.580 -0.060 1
1 237 . 3 1 1 A 29 29 PHE HA H 29 4.324 4.280 0.044 1
1 240 . 3 1 1 A 29 29 PHE C C 29 178.284 178.111 0.173 1
1 241 . 3 1 1 A 29 29 PHE CA C 29 59.548 60.627 -1.079 1
1 242 . 3 1 1 A 29 29 PHE CB C 29 37.576 38.418 -0.842 1
1 243 . 3 1 1 A 29 29 PHE N N 29 118.434 117.761 0.673 1
1 244 . 3 1 1 A 30 30 GLU H H 30 8.779 8.681 0.098 1
1 245 . 3 1 1 A 30 30 GLU HA H 30 3.795 3.878 -0.083 1
1 246 . 3 1 1 A 30 30 GLU C C 30 178.966 179.027 -0.061 1
1 247 . 3 1 1 A 30 30 GLU CA C 30 59.452 60.033 -0.581 1
1 248 . 3 1 1 A 30 30 GLU CB C 30 29.049 28.995 0.054 1
1 249 . 3 1 1 A 30 30 GLU N N 30 117.548 119.284 -1.736 1
1 250 . 3 1 1 A 31 31 LYS H H 31 7.318 7.651 -0.333 1
1 251 . 3 1 1 A 31 31 LYS HA H 31 3.668 3.925 -0.257 1
1 259 . 3 1 1 A 31 31 LYS C C 31 178.665 178.272 0.393 1
1 260 . 3 1 1 A 31 31 LYS CA C 31 59.401 59.205 0.196 1
1 261 . 3 1 1 A 31 31 LYS CB C 31 31.113 32.131 -1.018 1
1 264 . 3 1 1 A 31 31 LYS N N 31 120.410 119.529 0.881 1
1 265 . 3 1 1 A 32 32 ALA H H 32 7.311 7.440 -0.129 1
1 266 . 3 1 1 A 32 32 ALA HA H 32 3.859 3.539 0.320 1
1 270 . 3 1 1 A 32 32 ALA C C 32 178.384 179.304 -0.920 1
1 271 . 3 1 1 A 32 32 ALA CA C 32 54.697 54.754 -0.057 1
1 272 . 3 1 1 A 32 32 ALA CB C 32 15.999 18.585 -2.586 1
1 273 . 3 1 1 A 32 32 ALA N N 32 121.277 121.222 0.055 1
1 274 . 3 1 1 A 33 33 ILE H H 33 8.114 8.762 -0.648 1
1 275 . 3 1 1 A 33 33 ILE HA H 33 3.469 3.059 0.410 1
1 285 . 3 1 1 A 33 33 ILE C C 33 176.970 178.033 -1.063 1
1 286 . 3 1 1 A 33 33 ILE CA C 33 64.857 64.371 0.486 1
1 287 . 3 1 1 A 33 33 ILE CB C 33 38.669 36.939 1.730 1
1 291 . 3 1 1 A 33 33 ILE N N 33 118.905 117.333 1.572 1
1 292 . 3 1 1 A 34 34 GLN H H 34 7.790 7.985 -0.195 1
1 293 . 3 1 1 A 34 34 GLN HA H 34 3.853 4.034 -0.181 1
1 296 . 3 1 1 A 34 34 GLN C C 34 178.320 178.438 -0.118 1
1 297 . 3 1 1 A 34 34 GLN CA C 34 57.696 58.617 -0.921 1
1 298 . 3 1 1 A 34 34 GLN CB C 34 28.457 28.237 0.220 1
1 299 . 3 1 1 A 34 34 GLN N N 34 115.405 121.133 -5.728 1
1 300 . 3 1 1 A 35 35 LEU H H 35 7.092 7.220 -0.128 1
1 301 . 3 1 1 A 35 35 LEU HA H 35 4.354 3.980 0.374 1
1 311 . 3 1 1 A 35 35 LEU C C 35 177.841 177.517 0.324 1
1 312 . 3 1 1 A 35 35 LEU CA C 35 56.273 56.951 -0.678 1
1 313 . 3 1 1 A 35 35 LEU CB C 35 43.490 42.277 1.213 1
1 317 . 3 1 1 A 35 35 LEU N N 35 116.678 118.049 -1.371 1
1 318 . 3 1 1 A 36 36 ASP H H 36 8.367 7.685 0.682 1
1 319 . 3 1 1 A 36 36 ASP CA C 36 52.138 51.963 0.175 1
1 320 . 3 1 1 A 36 36 ASP CB C 36 41.549 41.469 0.080 1
1 321 . 3 1 1 A 36 36 ASP N N 36 117.682 114.793 2.889 1
1 322 . 3 1 1 A 37 37 PRO HA H 37 4.940 4.710 0.230 1
1 329 . 3 1 1 A 37 37 PRO C C 37 178.088 176.318 1.770 1
1 330 . 3 1 1 A 37 37 PRO CA C 37 64.272 62.322 1.950 1
1 331 . 3 1 1 A 37 37 PRO CB C 37 32.155 31.392 0.763 1
1 334 . 3 1 1 A 38 38 GLU H H 38 7.853 9.054 -1.201 1
1 335 . 3 1 1 A 38 38 GLU HA H 38 4.436 4.765 -0.329 1
1 337 . 3 1 1 A 38 38 GLU C C 38 174.874 174.881 -0.007 1
1 338 . 3 1 1 A 38 38 GLU CA C 38 56.200 55.994 0.206 1
1 339 . 3 1 1 A 38 38 GLU CB C 38 29.589 30.251 -0.662 1
1 340 . 3 1 1 A 38 38 GLU N N 38 116.933 122.759 -5.826 1
1 341 . 3 1 1 A 39 39 GLU H H 39 6.992 8.192 -1.200 1
1 342 . 3 1 1 A 39 39 GLU HA H 39 4.313 4.561 -0.248 1
1 343 . 3 1 1 A 39 39 GLU C C 39 176.082 176.029 0.053 1
1 344 . 3 1 1 A 39 39 GLU CA C 39 54.591 56.099 -1.508 1
1 345 . 3 1 1 A 39 39 GLU CB C 39 29.177 30.924 -1.747 1
1 346 . 3 1 1 A 39 39 GLU N N 39 119.900 122.841 -2.941 1
1 347 . 3 1 1 A 40 40 SER H H 40 8.458 9.004 -0.546 1
1 348 . 3 1 1 A 40 40 SER HA H 40 4.103 3.987 0.116 1
1 350 . 3 1 1 A 40 40 SER C C 40 176.323 176.707 -0.384 1
1 351 . 3 1 1 A 40 40 SER CA C 40 61.929 61.009 0.920 1
1 352 . 3 1 1 A 40 40 SER CB C 40 63.232 62.890 0.342 1
1 353 . 3 1 1 A 40 40 SER N N 40 125.619 121.549 4.070 1
1 354 . 3 1 1 A 41 41 LYS H H 41 9.248 8.183 1.065 1
1 355 . 3 1 1 A 41 41 LYS HA H 41 4.068 4.131 -0.063 1
1 358 . 3 1 1 A 41 41 LYS C C 41 177.520 178.801 -1.281 1
1 359 . 3 1 1 A 41 41 LYS CA C 41 59.259 59.409 -0.150 1
1 360 . 3 1 1 A 41 41 LYS CB C 41 31.161 32.234 -1.073 1
1 361 . 3 1 1 A 41 41 LYS N N 41 119.120 121.214 -2.094 1
1 362 . 3 1 1 A 42 42 TYR H H 42 6.924 8.293 -1.369 1
1 363 . 3 1 1 A 42 42 TYR HA H 42 4.301 4.493 -0.192 1
1 368 . 3 1 1 A 42 42 TYR C C 42 177.269 177.963 -0.694 1
1 369 . 3 1 1 A 42 42 TYR CA C 42 57.603 60.192 -2.589 1
1 370 . 3 1 1 A 42 42 TYR CB C 42 37.063 37.885 -0.822 1
1 371 . 3 1 1 A 42 42 TYR N N 42 118.666 118.252 0.414 1
1 372 . 3 1 1 A 43 43 TRP H H 43 6.662 6.750 -0.088 1
1 373 . 3 1 1 A 43 43 TRP HA H 43 3.910 4.176 -0.266 1
1 378 . 3 1 1 A 43 43 TRP C C 43 178.823 178.559 0.264 1
1 379 . 3 1 1 A 43 43 TRP CA C 43 59.953 59.953 0.000 1
1 380 . 3 1 1 A 43 43 TRP CB C 43 30.759 29.343 1.416 1
1 381 . 3 1 1 A 43 43 TRP N N 43 118.990 121.067 -2.077 1
1 383 . 3 1 1 A 44 44 LEU H H 44 8.412 9.431 -1.019 1
1 384 . 3 1 1 A 44 44 LEU HA H 44 4.112 4.180 -0.068 1
1 394 . 3 1 1 A 44 44 LEU C C 44 177.758 178.734 -0.976 1
1 395 . 3 1 1 A 44 44 LEU CA C 44 58.613 58.141 0.472 1
1 396 . 3 1 1 A 44 44 LEU CB C 44 42.004 41.579 0.425 1
1 400 . 3 1 1 A 44 44 LEU N N 44 118.970 121.781 -2.811 1
1 401 . 3 1 1 A 45 45 MET H H 45 7.403 8.304 -0.901 1
1 402 . 3 1 1 A 45 45 MET HA H 45 4.270 4.090 0.180 1
1 403 . 3 1 1 A 45 45 MET C C 45 177.749 178.890 -1.141 1
1 404 . 3 1 1 A 45 45 MET CA C 45 55.159 59.287 -4.128 1
1 405 . 3 1 1 A 45 45 MET CB C 45 26.925 33.107 -6.182 1
1 406 . 3 1 1 A 45 45 MET N N 45 113.618 117.347 -3.729 1
1 407 . 3 1 1 A 46 46 LYS H H 46 7.623 7.439 0.184 1
1 408 . 3 1 1 A 46 46 LYS HA H 46 3.906 3.842 0.064 1
1 409 . 3 1 1 A 46 46 LYS C C 46 178.056 179.393 -1.337 1
1 410 . 3 1 1 A 46 46 LYS CA C 46 61.394 59.200 2.194 1
1 411 . 3 1 1 A 46 46 LYS CB C 46 32.442 32.132 0.310 1
1 412 . 3 1 1 A 46 46 LYS N N 46 119.840 118.842 0.998 1
1 413 . 3 1 1 A 47 47 GLY H H 47 8.495 7.821 0.674 1
1 414 . 3 1 1 A 47 47 GLY HA2 H 47 3.730 3.118 0.612 1
1 415 . 3 1 1 A 47 47 GLY HA3 H 47 3.612 3.490 0.122 1
1 416 . 3 1 1 A 47 47 GLY C C 47 175.340 175.679 -0.339 1
1 417 . 3 1 1 A 47 47 GLY CA C 47 47.689 47.182 0.507 1
1 418 . 3 1 1 A 47 47 GLY N N 47 105.741 107.993 -2.252 1
1 419 . 3 1 1 A 48 48 LYS H H 48 8.760 7.712 1.048 1
1 420 . 3 1 1 A 48 48 LYS HA H 48 3.969 4.157 -0.188 1
1 428 . 3 1 1 A 48 48 LYS C C 48 180.425 178.971 1.454 1
1 429 . 3 1 1 A 48 48 LYS CA C 48 60.506 59.897 0.609 1
1 430 . 3 1 1 A 48 48 LYS CB C 48 30.964 32.228 -1.264 1
1 433 . 3 1 1 A 48 48 LYS N N 48 122.568 121.726 0.842 1
1 434 . 3 1 1 A 49 49 ALA H H 49 8.668 7.781 0.887 1
1 435 . 3 1 1 A 49 49 ALA HA H 49 4.084 4.062 0.022 1
1 439 . 3 1 1 A 49 49 ALA C C 49 178.870 180.072 -1.202 1
1 440 . 3 1 1 A 49 49 ALA CA C 49 55.777 55.194 0.583 1
1 441 . 3 1 1 A 49 49 ALA CB C 49 17.702 18.722 -1.020 1
1 442 . 3 1 1 A 49 49 ALA N N 49 124.484 121.836 2.648 1
1 443 . 3 1 1 A 50 50 LEU H H 50 8.192 8.271 -0.079 1
1 444 . 3 1 1 A 50 50 LEU HA H 50 3.771 3.879 -0.108 1
1 454 . 3 1 1 A 50 50 LEU C C 50 179.839 178.763 1.076 1
1 455 . 3 1 1 A 50 50 LEU CA C 50 58.727 57.787 0.940 1
1 456 . 3 1 1 A 50 50 LEU CB C 50 40.549 41.978 -1.429 1
1 460 . 3 1 1 A 50 50 LEU N N 50 118.843 118.150 0.693 1
1 461 . 3 1 1 A 51 51 TYR H H 51 9.282 8.716 0.566 1
1 462 . 3 1 1 A 51 51 TYR HA H 51 3.557 3.761 -0.204 1
1 469 . 3 1 1 A 51 51 TYR C C 51 179.177 177.799 1.378 1
1 470 . 3 1 1 A 51 51 TYR CA C 51 61.878 62.122 -0.244 1
1 471 . 3 1 1 A 51 51 TYR CB C 51 38.249 38.636 -0.387 1
1 472 . 3 1 1 A 51 51 TYR N N 51 122.719 119.452 3.267 1
1 473 . 3 1 1 A 52 52 ASN H H 52 7.882 8.333 -0.451 1
1 474 . 3 1 1 A 52 52 ASN HA H 52 4.084 4.128 -0.044 1
1 477 . 3 1 1 A 52 52 ASN C C 52 175.615 177.101 -1.486 1
1 478 . 3 1 1 A 52 52 ASN CA C 52 55.964 55.947 0.017 1
1 479 . 3 1 1 A 52 52 ASN CB C 52 37.219 39.559 -2.340 1
1 480 . 3 1 1 A 52 52 ASN N N 52 120.327 117.819 2.508 1
1 481 . 3 1 1 A 53 53 LEU H H 53 7.178 7.334 -0.156 1
1 482 . 3 1 1 A 53 53 LEU HA H 53 4.299 4.037 0.262 1
1 492 . 3 1 1 A 53 53 LEU C C 53 175.095 176.336 -1.241 1
1 493 . 3 1 1 A 53 53 LEU CA C 53 54.112 54.734 -0.622 1
1 494 . 3 1 1 A 53 53 LEU CB C 53 42.548 42.140 0.408 1
1 498 . 3 1 1 A 53 53 LEU N N 53 119.827 117.122 2.705 1
1 499 . 3 1 1 A 54 54 GLU H H 54 7.515 7.878 -0.363 1
1 500 . 3 1 1 A 54 54 GLU C C 54 175.118 175.297 -0.179 1
1 501 . 3 1 1 A 54 54 GLU CA C 54 56.811 57.326 -0.515 1
1 502 . 3 1 1 A 54 54 GLU CB C 54 25.944 28.921 -2.977 1
1 503 . 3 1 1 A 54 54 GLU N N 54 112.799 118.278 -5.479 1
1 504 . 3 1 1 A 55 55 ARG H H 55 7.719 7.886 -0.167 1
1 505 . 3 1 1 A 55 55 ARG HA H 55 4.407 4.495 -0.088 1
1 512 . 3 1 1 A 55 55 ARG C C 55 176.820 176.068 0.752 1
1 513 . 3 1 1 A 55 55 ARG CA C 55 54.493 53.986 0.507 1
1 514 . 3 1 1 A 55 55 ARG CB C 55 29.041 28.998 0.043 1
1 517 . 3 1 1 A 55 55 ARG N N 55 122.369 118.430 3.939 1
1 518 . 3 1 1 A 56 56 TYR H H 56 6.403 7.574 -1.171 1
1 519 . 3 1 1 A 56 56 TYR HA H 56 3.879 4.249 -0.370 1
1 526 . 3 1 1 A 56 56 TYR C C 56 177.879 178.190 -0.311 1
1 527 . 3 1 1 A 56 56 TYR CA C 56 62.080 61.165 0.915 1
1 528 . 3 1 1 A 56 56 TYR CB C 56 38.443 38.013 0.430 1
1 529 . 3 1 1 A 56 56 TYR N N 56 117.128 120.323 -3.195 1
1 530 . 3 1 1 A 57 57 GLU H H 57 9.032 8.517 0.515 1
1 531 . 3 1 1 A 57 57 GLU HA H 57 3.865 4.016 -0.151 1
1 532 . 3 1 1 A 57 57 GLU C C 57 179.417 179.017 0.400 1
1 533 . 3 1 1 A 57 57 GLU CA C 57 60.722 59.789 0.933 1
1 534 . 3 1 1 A 57 57 GLU CB C 57 29.124 29.138 -0.014 1
1 535 . 3 1 1 A 57 57 GLU N N 57 118.981 120.414 -1.433 1
1 536 . 3 1 1 A 58 58 GLU H H 58 8.286 8.173 0.113 1
1 537 . 3 1 1 A 58 58 GLU HA H 58 4.050 4.270 -0.220 1
1 538 . 3 1 1 A 58 58 GLU C C 58 179.476 178.104 1.372 1
1 539 . 3 1 1 A 58 58 GLU CA C 58 59.289 59.484 -0.195 1
1 540 . 3 1 1 A 58 58 GLU CB C 58 31.234 29.174 2.060 1
1 541 . 3 1 1 A 58 58 GLU N N 58 119.123 119.518 -0.395 1
1 542 . 3 1 1 A 59 59 ALA H H 59 8.131 8.813 -0.682 1
1 543 . 3 1 1 A 59 59 ALA HA H 59 3.786 3.969 -0.183 1
1 547 . 3 1 1 A 59 59 ALA C C 59 178.281 179.933 -1.652 1
1 548 . 3 1 1 A 59 59 ALA CA C 59 56.324 55.216 1.108 1
1 549 . 3 1 1 A 59 59 ALA CB C 59 17.444 18.176 -0.732 1
1 550 . 3 1 1 A 59 59 ALA N N 59 124.009 122.229 1.780 1
1 551 . 3 1 1 A 60 60 VAL H H 60 8.079 7.658 0.421 1
1 552 . 3 1 1 A 60 60 VAL HA H 60 3.439 3.609 -0.170 1
1 560 . 3 1 1 A 60 60 VAL C C 60 177.323 177.885 -0.562 1
1 561 . 3 1 1 A 60 60 VAL CA C 60 67.410 66.485 0.925 1
1 562 . 3 1 1 A 60 60 VAL CB C 60 31.259 31.481 -0.222 1
1 565 . 3 1 1 A 60 60 VAL N N 60 116.647 118.260 -1.613 1
1 566 . 3 1 1 A 61 61 ASP H H 61 7.737 8.376 -0.639 1
1 567 . 3 1 1 A 61 61 ASP HA H 61 4.446 4.323 0.123 1
1 570 . 3 1 1 A 61 61 ASP C C 61 179.986 179.132 0.854 1
1 571 . 3 1 1 A 61 61 ASP CA C 61 58.123 57.716 0.407 1
1 572 . 3 1 1 A 61 61 ASP CB C 61 40.160 40.079 0.081 1
1 573 . 3 1 1 A 61 61 ASP N N 61 119.276 120.630 -1.354 1
1 574 . 3 1 1 A 62 62 CYS H H 62 7.387 7.841 -0.454 1
1 575 . 3 1 1 A 62 62 CYS HA H 62 4.337 3.652 0.685 1
1 578 . 3 1 1 A 62 62 CYS C C 62 176.276 176.765 -0.489 1
1 579 . 3 1 1 A 62 62 CYS CA C 62 63.585 63.568 0.017 1
1 580 . 3 1 1 A 62 62 CYS CB C 62 26.441 27.510 -1.069 1
1 581 . 3 1 1 A 62 62 CYS N N 62 118.794 118.821 -0.027 1
1 582 . 3 1 1 A 63 63 TYR H H 63 7.391 7.315 0.076 1
1 583 . 3 1 1 A 63 63 TYR HA H 63 4.249 4.176 0.073 1
1 588 . 3 1 1 A 63 63 TYR C C 63 178.113 178.127 -0.014 1
1 589 . 3 1 1 A 63 63 TYR CA C 63 57.994 61.770 -3.776 1
1 590 . 3 1 1 A 63 63 TYR CB C 63 36.288 38.008 -1.720 1
1 591 . 3 1 1 A 63 63 TYR N N 63 119.775 118.895 0.880 1
1 592 . 3 1 1 A 64 64 ASN H H 64 9.121 8.863 0.258 1
1 593 . 3 1 1 A 64 64 ASN HA H 64 4.328 4.328 0.000 1
1 596 . 3 1 1 A 64 64 ASN C C 64 177.346 176.807 0.539 1
1 597 . 3 1 1 A 64 64 ASN CA C 64 54.809 56.049 -1.240 1
1 598 . 3 1 1 A 64 64 ASN CB C 64 36.904 38.862 -1.958 1
1 599 . 3 1 1 A 64 64 ASN N N 64 117.343 118.420 -1.077 1
1 600 . 3 1 1 A 65 65 TYR H H 65 7.635 8.009 -0.374 1
1 601 . 3 1 1 A 65 65 TYR HA H 65 3.660 3.867 -0.207 1
1 608 . 3 1 1 A 65 65 TYR C C 65 178.599 176.850 1.749 1
1 609 . 3 1 1 A 65 65 TYR CA C 65 62.267 61.288 0.979 1
1 610 . 3 1 1 A 65 65 TYR CB C 65 37.886 38.177 -0.291 1
1 611 . 3 1 1 A 65 65 TYR N N 65 124.181 120.475 3.706 1
1 612 . 3 1 1 A 66 66 VAL H H 66 7.093 7.826 -0.733 1
1 613 . 3 1 1 A 66 66 VAL HA H 66 3.316 3.525 -0.209 1
1 621 . 3 1 1 A 66 66 VAL C C 66 177.070 178.330 -1.260 1
1 622 . 3 1 1 A 66 66 VAL CA C 66 65.944 66.697 -0.753 1
1 623 . 3 1 1 A 66 66 VAL CB C 66 31.613 31.406 0.207 1
1 626 . 3 1 1 A 66 66 VAL N N 66 119.247 119.400 -0.153 1
1 627 . 3 1 1 A 67 67 ILE H H 67 7.640 8.513 -0.873 1
1 628 . 3 1 1 A 67 67 ILE HA H 67 3.056 3.551 -0.495 1
1 638 . 3 1 1 A 67 67 ILE C C 67 176.822 178.635 -1.813 1
1 639 . 3 1 1 A 67 67 ILE CA C 67 64.902 65.103 -0.201 1
1 640 . 3 1 1 A 67 67 ILE CB C 67 39.444 37.496 1.948 1
1 644 . 3 1 1 A 67 67 ILE N N 67 117.814 120.113 -2.299 1
1 645 . 3 1 1 A 68 68 ASN H H 68 8.587 8.670 -0.083 1
1 646 . 3 1 1 A 68 68 ASN HA H 68 4.564 4.380 0.184 1
1 649 . 3 1 1 A 68 68 ASN C C 68 176.007 177.516 -1.509 1
1 650 . 3 1 1 A 68 68 ASN CA C 68 54.569 55.901 -1.332 1
1 651 . 3 1 1 A 68 68 ASN CB C 68 39.424 38.536 0.888 1
1 652 . 3 1 1 A 68 68 ASN N N 68 112.692 119.428 -6.736 1
1 653 . 3 1 1 A 69 69 VAL H H 69 7.607 7.730 -0.123 1
1 654 . 3 1 1 A 69 69 VAL HA H 69 3.813 3.489 0.324 1
1 661 . 3 1 1 A 69 69 VAL C C 69 177.490 175.757 1.733 1
1 662 . 3 1 1 A 69 69 VAL CA C 69 64.763 66.217 -1.454 1
1 663 . 3 1 1 A 69 69 VAL CB C 69 30.804 31.455 -0.651 1
1 666 . 3 1 1 A 69 69 VAL N N 69 119.569 118.498 1.071 1
1 667 . 3 1 1 A 70 70 ILE H H 70 7.489 7.903 -0.414 1
1 668 . 3 1 1 A 70 70 ILE HA H 70 3.635 4.383 -0.748 1
1 678 . 3 1 1 A 70 70 ILE C C 70 176.523 175.425 1.098 1
1 679 . 3 1 1 A 70 70 ILE CA C 70 64.090 60.162 3.928 1
1 680 . 3 1 1 A 70 70 ILE CB C 70 37.026 39.474 -2.448 1
1 684 . 3 1 1 A 70 70 ILE N N 70 119.276 119.656 -0.380 1
1 685 . 3 1 1 A 71 71 GLU H H 71 6.641 8.988 -2.347 1
1 686 . 3 1 1 A 71 71 GLU HA H 71 3.865 4.367 -0.502 1
1 690 . 3 1 1 A 71 71 GLU C C 71 176.415 176.801 -0.386 1
1 691 . 3 1 1 A 71 71 GLU CA C 71 57.229 57.052 0.177 1
1 692 . 3 1 1 A 71 71 GLU CB C 71 26.142 29.759 -3.617 1
1 694 . 3 1 1 A 71 71 GLU N N 71 110.179 126.571 -16.392 1
1 695 . 3 1 1 A 72 72 ASP H H 72 7.744 8.097 -0.353 1
1 696 . 3 1 1 A 72 72 ASP HA H 72 4.813 5.016 -0.203 1
1 699 . 3 1 1 A 72 72 ASP C C 72 176.230 176.984 -0.754 1
1 700 . 3 1 1 A 72 72 ASP CA C 72 52.203 53.864 -1.661 1
1 701 . 3 1 1 A 72 72 ASP CB C 72 39.256 40.754 -1.498 1
1 702 . 3 1 1 A 72 72 ASP N N 72 121.733 120.652 1.081 1
1 703 . 3 1 1 A 73 73 GLU H H 73 7.510 8.447 -0.937 1
1 704 . 3 1 1 A 73 73 GLU HA H 73 3.946 4.033 -0.087 1
1 709 . 3 1 1 A 73 73 GLU C C 73 176.745 178.261 -1.516 1
1 710 . 3 1 1 A 73 73 GLU CA C 73 58.303 58.914 -0.611 1
1 711 . 3 1 1 A 73 73 GLU CB C 73 30.664 28.679 1.985 1
1 713 . 3 1 1 A 73 73 GLU N N 73 116.724 119.058 -2.334 1
1 714 . 3 1 1 A 74 74 TYR H H 74 8.794 7.955 0.839 1
1 715 . 3 1 1 A 74 74 TYR HA H 74 4.875 4.547 0.328 1
1 722 . 3 1 1 A 74 74 TYR C C 74 174.879 176.755 -1.876 1
1 723 . 3 1 1 A 74 74 TYR CA C 74 56.732 60.676 -3.944 1
1 724 . 3 1 1 A 74 74 TYR CB C 74 37.069 37.996 -0.927 1
1 725 . 3 1 1 A 74 74 TYR N N 74 120.080 119.136 0.944 1
1 726 . 3 1 1 A 75 75 ASN H H 75 7.237 7.799 -0.562 1
1 727 . 3 1 1 A 75 75 ASN HA H 75 4.601 4.685 -0.084 1
1 730 . 3 1 1 A 75 75 ASN C C 75 175.146 177.384 -2.238 1
1 731 . 3 1 1 A 75 75 ASN CA C 75 53.124 54.055 -0.931 1
1 732 . 3 1 1 A 75 75 ASN CB C 75 37.755 38.828 -1.073 1
1 733 . 3 1 1 A 75 75 ASN N N 75 118.665 118.324 0.341 1
1 734 . 3 1 1 A 76 76 LYS H H 76 8.672 8.647 0.025 1
1 735 . 3 1 1 A 76 76 LYS HA H 76 4.077 4.195 -0.118 1
1 742 . 3 1 1 A 76 76 LYS C C 76 177.773 178.620 -0.847 1
1 743 . 3 1 1 A 76 76 LYS CA C 76 60.060 59.226 0.834 1
1 744 . 3 1 1 A 76 76 LYS CB C 76 37.827 32.136 5.691 1
1 748 . 3 1 1 A 76 76 LYS N N 76 127.868 124.720 3.148 1
1 749 . 3 1 1 A 77 77 ASP H H 77 7.946 8.170 -0.224 1
1 750 . 3 1 1 A 77 77 ASP HA H 77 4.414 4.383 0.031 1
1 753 . 3 1 1 A 77 77 ASP C C 77 179.265 178.748 0.517 1
1 754 . 3 1 1 A 77 77 ASP CA C 77 57.127 57.667 -0.540 1
1 755 . 3 1 1 A 77 77 ASP CB C 77 40.634 41.395 -0.761 1
1 756 . 3 1 1 A 77 77 ASP N N 77 117.883 120.129 -2.246 1
1 757 . 3 1 1 A 78 78 VAL H H 78 7.653 8.135 -0.482 1
1 758 . 3 1 1 A 78 78 VAL HA H 78 3.282 3.442 -0.160 1
1 766 . 3 1 1 A 78 78 VAL C C 78 176.624 178.026 -1.402 1
1 767 . 3 1 1 A 78 78 VAL CA C 78 65.531 66.167 -0.636 1
1 768 . 3 1 1 A 78 78 VAL CB C 78 31.290 31.398 -0.108 1
1 771 . 3 1 1 A 78 78 VAL N N 78 121.259 118.816 2.443 1
1 772 . 3 1 1 A 79 79 TRP H H 79 7.626 7.779 -0.153 1
1 773 . 3 1 1 A 79 79 TRP HA H 79 4.107 4.367 -0.260 1
1 778 . 3 1 1 A 79 79 TRP C C 79 177.932 178.867 -0.935 1
1 779 . 3 1 1 A 79 79 TRP CA C 79 61.491 60.025 1.466 1
1 780 . 3 1 1 A 79 79 TRP CB C 79 28.665 28.596 0.069 1
1 781 . 3 1 1 A 79 79 TRP N N 79 120.388 119.608 0.780 1
1 783 . 3 1 1 A 80 80 ALA H H 80 8.296 8.810 -0.514 1
1 784 . 3 1 1 A 80 80 ALA HA H 80 3.898 3.917 -0.019 1
1 788 . 3 1 1 A 80 80 ALA C C 80 176.556 179.656 -3.100 1
1 789 . 3 1 1 A 80 80 ALA CA C 80 55.158 55.227 -0.069 1
1 790 . 3 1 1 A 80 80 ALA CB C 80 18.155 18.140 0.015 1
1 791 . 3 1 1 A 80 80 ALA N N 80 120.453 121.839 -1.386 1
1 792 . 3 1 1 A 81 81 ALA H H 81 7.405 8.208 -0.803 1
1 793 . 3 1 1 A 81 81 ALA HA H 81 3.837 3.908 -0.071 1
1 797 . 3 1 1 A 81 81 ALA C C 81 180.646 178.853 1.793 1
1 798 . 3 1 1 A 81 81 ALA CA C 81 55.028 55.182 -0.154 1
1 799 . 3 1 1 A 81 81 ALA CB C 81 15.649 17.989 -2.340 1
1 800 . 3 1 1 A 81 81 ALA N N 81 120.915 119.554 1.361 1
1 801 . 3 1 1 A 82 82 LYS H H 82 8.244 7.635 0.609 1
1 802 . 3 1 1 A 82 82 LYS HA H 82 3.853 3.543 0.310 1
1 811 . 3 1 1 A 82 82 LYS C C 82 177.176 178.524 -1.348 1
1 812 . 3 1 1 A 82 82 LYS CA C 82 60.577 58.639 1.938 1
1 813 . 3 1 1 A 82 82 LYS CB C 82 32.243 31.957 0.286 1
1 816 . 3 1 1 A 82 82 LYS N N 82 121.979 118.156 3.823 1
1 817 . 3 1 1 A 83 83 ALA H H 83 8.422 8.105 0.317 1
1 818 . 3 1 1 A 83 83 ALA HA H 83 3.894 4.092 -0.198 1
1 822 . 3 1 1 A 83 83 ALA C C 83 178.746 179.975 -1.229 1
1 823 . 3 1 1 A 83 83 ALA CA C 83 56.268 55.288 0.980 1
1 824 . 3 1 1 A 83 83 ALA CB C 83 17.700 18.097 -0.397 1
1 825 . 3 1 1 A 83 83 ALA N N 83 121.419 121.969 -0.550 1
1 826 . 3 1 1 A 84 84 ASP H H 84 7.481 7.991 -0.510 1
1 827 . 3 1 1 A 84 84 ASP HA H 84 4.377 4.361 0.016 1
1 828 . 3 1 1 A 84 84 ASP C C 84 178.394 178.562 -0.168 1
1 829 . 3 1 1 A 84 84 ASP CA C 84 56.946 56.962 -0.016 1
1 830 . 3 1 1 A 84 84 ASP CB C 84 40.351 40.123 0.228 1
1 831 . 3 1 1 A 84 84 ASP N N 84 114.693 119.675 -4.982 1
1 832 . 3 1 1 A 85 85 ALA H H 85 7.680 7.264 0.416 1
1 833 . 3 1 1 A 85 85 ALA HA H 85 4.521 4.551 -0.030 1
1 837 . 3 1 1 A 85 85 ALA C C 85 179.100 180.722 -1.622 1
1 838 . 3 1 1 A 85 85 ALA CA C 85 55.819 55.104 0.715 1
1 839 . 3 1 1 A 85 85 ALA CB C 85 19.257 18.599 0.658 1
1 840 . 3 1 1 A 85 85 ALA N N 85 119.105 122.634 -3.529 1
1 841 . 3 1 1 A 86 86 LEU H H 86 8.516 8.295 0.221 1
1 842 . 3 1 1 A 86 86 LEU HA H 86 3.919 4.090 -0.171 1
1 852 . 3 1 1 A 86 86 LEU C C 86 178.767 179.221 -0.454 1
1 853 . 3 1 1 A 86 86 LEU CA C 86 48.892 57.605 -8.713 1
1 854 . 3 1 1 A 86 86 LEU CB C 86 43.011 41.390 1.621 1
1 858 . 3 1 1 A 86 86 LEU N N 86 115.208 119.897 -4.689 1
1 859 . 3 1 1 A 87 87 ARG H H 87 7.329 8.280 -0.951 1
1 860 . 3 1 1 A 87 87 ARG HA H 87 3.851 3.947 -0.096 1
1 867 . 3 1 1 A 87 87 ARG C C 87 176.800 175.860 0.940 1
1 868 . 3 1 1 A 87 87 ARG CA C 87 58.315 59.497 -1.182 1
1 869 . 3 1 1 A 87 87 ARG CB C 87 27.514 30.090 -2.576 1
1 872 . 3 1 1 A 87 87 ARG N N 87 115.227 118.887 -3.660 1
1 873 . 3 1 1 A 88 88 TYR H H 88 7.201 7.379 -0.178 1
1 874 . 3 1 1 A 88 88 TYR HA H 88 4.193 4.715 -0.522 1
1 881 . 3 1 1 A 88 88 TYR C C 88 174.958 174.187 0.771 1
1 882 . 3 1 1 A 88 88 TYR CA C 88 58.463 56.417 2.046 1
1 883 . 3 1 1 A 88 88 TYR CB C 88 38.457 36.764 1.693 1
1 884 . 3 1 1 A 88 88 TYR N N 88 115.558 115.296 0.262 1
1 885 . 3 1 1 A 89 89 ILE H H 89 7.374 8.044 -0.670 1
1 886 . 3 1 1 A 89 89 ILE HA H 89 4.175 4.701 -0.526 1
1 895 . 3 1 1 A 89 89 ILE C C 89 174.900 175.785 -0.885 1
1 896 . 3 1 1 A 89 89 ILE CA C 89 60.978 59.136 1.842 1
1 897 . 3 1 1 A 89 89 ILE CB C 89 38.945 41.263 -2.318 1
1 901 . 3 1 1 A 89 89 ILE N N 89 122.120 124.544 -2.424 1
1 902 . 3 1 1 A 90 90 GLU H H 90 8.655 8.541 0.114 1
1 903 . 3 1 1 A 90 90 GLU HA H 90 4.159 4.019 0.140 1
1 905 . 3 1 1 A 90 90 GLU CA C 90 57.914 59.324 -1.410 1
1 906 . 3 1 1 A 90 90 GLU CB C 90 29.894 29.708 0.186 1
1 907 . 3 1 1 A 90 90 GLU N N 90 128.417 125.643 2.774 1
1 908 . 3 1 1 A 91 91 GLY H H 91 9.089 7.792 1.297 1
1 909 . 3 1 1 A 91 91 GLY HA2 H 91 4.293 4.220 0.073 1
1 910 . 3 1 1 A 91 91 GLY HA3 H 91 4.039 4.228 -0.189 1
1 911 . 3 1 1 A 91 91 GLY CA C 91 45.756 44.713 1.043 1
1 912 . 3 1 1 A 91 91 GLY N N 91 112.760 104.785 7.975 1
1 913 . 3 1 1 A 93 93 GLU C C 93 176.315 175.892 0.423 1
1 914 . 3 1 1 A 94 94 VAL H H 94 8.288 8.112 0.176 1
1 915 . 3 1 1 A 94 94 VAL HA H 94 3.800 4.191 -0.391 1
1 920 . 3 1 1 A 94 94 VAL C C 94 178.292 176.236 2.056 1
1 921 . 3 1 1 A 94 94 VAL CA C 94 56.374 62.015 -5.641 1
1 922 . 3 1 1 A 94 94 VAL CB C 94 31.630 33.297 -1.667 1
1 923 . 3 1 1 A 94 94 VAL N N 94 119.837 119.956 -0.119 1
1 924 . 3 1 1 A 95 95 GLU H H 95 8.207 7.904 0.303 1
1 925 . 3 1 1 A 95 95 GLU HA H 95 3.931 3.956 -0.025 1
1 927 . 3 1 1 A 95 95 GLU C C 95 179.514 178.492 1.022 1
1 928 . 3 1 1 A 95 95 GLU CA C 95 60.215 59.581 0.634 1
1 929 . 3 1 1 A 95 95 GLU CB C 95 29.419 29.075 0.344 1
1 930 . 3 1 1 A 95 95 GLU N N 95 120.805 122.669 -1.864 1
1 931 . 3 1 1 A 96 96 ALA H H 96 8.839 7.706 1.133 1
1 932 . 3 1 1 A 96 96 ALA HA H 96 4.029 4.077 -0.048 1
1 936 . 3 1 1 A 96 96 ALA C C 96 179.047 178.862 0.185 1
1 937 . 3 1 1 A 96 96 ALA CA C 96 54.866 54.766 0.100 1
1 938 . 3 1 1 A 96 96 ALA CB C 96 17.667 18.379 -0.712 1
1 939 . 3 1 1 A 96 96 ALA N N 96 123.226 121.408 1.818 1
1 940 . 3 1 1 A 97 97 GLU H H 97 7.763 8.111 -0.348 1
1 941 . 3 1 1 A 97 97 GLU HA H 97 4.055 3.993 0.062 1
1 943 . 3 1 1 A 97 97 GLU C C 97 178.015 178.988 -0.973 1
1 944 . 3 1 1 A 97 97 GLU CA C 97 59.138 59.286 -0.148 1
1 945 . 3 1 1 A 97 97 GLU CB C 97 29.588 29.468 0.120 1
1 946 . 3 1 1 A 97 97 GLU N N 97 118.606 118.644 -0.038 1
1 947 . 3 1 1 A 98 98 ILE H H 98 8.118 8.239 -0.121 1
1 948 . 3 1 1 A 98 98 ILE HA H 98 3.657 3.759 -0.102 1
1 958 . 3 1 1 A 98 98 ILE C C 98 178.015 178.033 -0.018 1
1 959 . 3 1 1 A 98 98 ILE CA C 98 64.831 65.350 -0.519 1
1 960 . 3 1 1 A 98 98 ILE CB C 98 38.402 37.682 0.720 1
1 964 . 3 1 1 A 98 98 ILE N N 98 122.339 119.562 2.777 1
1 965 . 3 1 1 A 99 99 ALA H H 99 8.117 8.340 -0.223 1
1 966 . 3 1 1 A 99 99 ALA HA H 99 4.210 4.026 0.184 1
1 970 . 3 1 1 A 99 99 ALA C C 99 178.762 178.976 -0.214 1
1 971 . 3 1 1 A 99 99 ALA CA C 99 55.360 55.719 -0.359 1
1 972 . 3 1 1 A 99 99 ALA CB C 99 17.499 18.292 -0.793 1
1 973 . 3 1 1 A 99 99 ALA N N 99 122.357 122.603 -0.246 1
1 974 . 3 1 1 A 100 100 GLU H H 100 8.345 8.507 -0.162 1
1 975 . 3 1 1 A 100 100 GLU HA H 100 3.787 4.010 -0.223 1
1 978 . 3 1 1 A 100 100 GLU C C 100 178.463 178.541 -0.078 1
1 979 . 3 1 1 A 100 100 GLU CA C 100 59.063 59.291 -0.228 1
1 980 . 3 1 1 A 100 100 GLU CB C 100 29.670 29.420 0.250 1
1 981 . 3 1 1 A 100 100 GLU N N 100 118.391 118.293 0.098 1
1 982 . 3 1 1 A 101 101 ALA H H 101 7.693 8.229 -0.536 1
1 983 . 3 1 1 A 101 101 ALA HA H 101 4.111 3.936 0.175 1
1 987 . 3 1 1 A 101 101 ALA C C 101 180.967 179.567 1.400 1
1 988 . 3 1 1 A 101 101 ALA CA C 101 54.383 55.412 -1.029 1
1 989 . 3 1 1 A 101 101 ALA CB C 101 18.097 18.174 -0.077 1
1 990 . 3 1 1 A 101 101 ALA N N 101 120.699 121.353 -0.654 1
1 991 . 3 1 1 A 102 102 ARG H H 102 7.959 8.643 -0.684 1
1 992 . 3 1 1 A 102 102 ARG HA H 102 3.705 3.807 -0.102 1
1 993 . 3 1 1 A 102 102 ARG C C 102 178.310 178.754 -0.444 1
1 994 . 3 1 1 A 102 102 ARG CA C 102 57.696 59.352 -1.656 1
1 995 . 3 1 1 A 102 102 ARG CB C 102 28.404 29.801 -1.397 1
1 996 . 3 1 1 A 102 102 ARG N N 102 118.386 117.604 0.782 1
1 997 . 3 1 1 A 103 103 ALA H H 103 7.896 8.238 -0.342 1
1 998 . 3 1 1 A 103 103 ALA HA H 103 4.108 4.077 0.031 1
1 1002 . 3 1 1 A 103 103 ALA C C 103 178.184 179.539 -1.355 1
1 1003 . 3 1 1 A 103 103 ALA CA C 103 54.210 54.746 -0.536 1
1 1004 . 3 1 1 A 103 103 ALA CB C 103 18.430 18.492 -0.062 1
1 1005 . 3 1 1 A 103 103 ALA N N 103 120.630 121.533 -0.903 1
1 1006 . 3 1 1 A 104 104 LYS H H 104 7.337 7.552 -0.215 1
1 1007 . 3 1 1 A 104 104 LYS HA H 104 4.150 4.318 -0.168 1
1 1013 . 3 1 1 A 104 104 LYS C C 104 177.211 176.037 1.174 1
1 1014 . 3 1 1 A 104 104 LYS CA C 104 56.429 56.318 0.111 1
1 1015 . 3 1 1 A 104 104 LYS CB C 104 32.810 32.659 0.151 1
1 1018 . 3 1 1 A 104 104 LYS N N 104 115.288 117.437 -2.149 1
1 1019 . 3 1 1 A 105 105 LEU H H 105 7.511 7.063 0.448 1
1 1020 . 3 1 1 A 105 105 LEU HA H 105 4.162 4.625 -0.463 1
1 1030 . 3 1 1 A 105 105 LEU C C 105 177.260 174.714 2.546 1
1 1031 . 3 1 1 A 105 105 LEU CA C 105 56.227 54.090 2.137 1
1 1032 . 3 1 1 A 105 105 LEU CB C 105 42.365 43.231 -0.866 1
1 1036 . 3 1 1 A 105 105 LEU N N 105 120.938 121.898 -0.960 1
1 1037 . 3 1 1 A 106 106 GLU H H 106 8.283 8.780 -0.497 1
1 1038 . 3 1 1 A 106 106 GLU HA H 106 4.167 4.740 -0.573 1
1 1041 . 3 1 1 A 106 106 GLU C C 106 173.877 175.591 -1.714 1
1 1042 . 3 1 1 A 106 106 GLU CA C 106 55.862 54.924 0.938 1
1 1043 . 3 1 1 A 106 106 GLU CB C 106 30.289 31.991 -1.702 1
1 1044 . 3 1 1 A 106 106 GLU N N 106 121.004 126.395 -5.391 1
1 1045 . 3 1 1 A 107 107 HIS H H 107 8.128 8.903 -0.775 1
1 1046 . 3 1 1 A 107 107 HIS CA C 107 57.258 55.834 1.424 1
1 1047 . 3 1 1 A 107 107 HIS CB C 107 30.252 30.698 -0.446 1
1 1 . 4 1 1 A 6 6 PRO HA H 6 4.310 4.744 -0.434 1
1 8 . 4 1 1 A 6 6 PRO C C 6 177.583 176.872 0.711 1
1 9 . 4 1 1 A 6 6 PRO CA C 6 65.455 62.165 3.290 1
1 10 . 4 1 1 A 6 6 PRO CB C 6 31.231 28.426 2.805 1
1 13 . 4 1 1 A 7 7 GLU H H 7 8.058 8.799 -0.741 1
1 14 . 4 1 1 A 7 7 GLU HA H 7 4.314 4.100 0.214 1
1 15 . 4 1 1 A 7 7 GLU C C 7 178.814 178.144 0.670 1
1 16 . 4 1 1 A 7 7 GLU CA C 7 58.577 59.441 -0.864 1
1 17 . 4 1 1 A 7 7 GLU CB C 7 29.806 29.659 0.147 1
1 18 . 4 1 1 A 7 7 GLU N N 7 116.393 124.489 -8.096 1
1 19 . 4 1 1 A 8 8 GLU H H 8 7.458 8.135 -0.677 1
1 20 . 4 1 1 A 8 8 GLU HA H 8 4.029 2.586 1.443 1
1 21 . 4 1 1 A 8 8 GLU C C 8 179.794 177.416 2.378 1
1 22 . 4 1 1 A 8 8 GLU CA C 8 59.369 58.164 1.205 1
1 23 . 4 1 1 A 8 8 GLU CB C 8 29.455 28.366 1.089 1
1 24 . 4 1 1 A 8 8 GLU N N 8 117.887 117.433 0.454 1
1 25 . 4 1 1 A 9 9 TYR H H 9 6.889 8.256 -1.367 1
1 26 . 4 1 1 A 9 9 TYR HA H 9 4.301 4.310 -0.009 1
1 33 . 4 1 1 A 9 9 TYR C C 9 177.756 176.505 1.251 1
1 34 . 4 1 1 A 9 9 TYR CA C 9 60.754 60.329 0.425 1
1 35 . 4 1 1 A 9 9 TYR CB C 9 37.319 37.505 -0.186 1
1 36 . 4 1 1 A 9 9 TYR N N 9 117.876 119.054 -1.178 1
1 37 . 4 1 1 A 10 10 TYR H H 10 8.138 7.708 0.430 1
1 38 . 4 1 1 A 10 10 TYR HA H 10 4.018 4.421 -0.403 1
1 45 . 4 1 1 A 10 10 TYR C C 10 176.231 176.290 -0.059 1
1 46 . 4 1 1 A 10 10 TYR CA C 10 62.031 57.346 4.685 1
1 47 . 4 1 1 A 10 10 TYR CB C 10 38.951 37.736 1.215 1
1 48 . 4 1 1 A 10 10 TYR N N 10 118.874 120.123 -1.249 1
1 49 . 4 1 1 A 11 11 LEU H H 11 8.597 8.616 -0.019 1
1 50 . 4 1 1 A 11 11 LEU HA H 11 3.797 4.581 -0.784 1
1 60 . 4 1 1 A 11 11 LEU C C 11 180.257 178.047 2.210 1
1 61 . 4 1 1 A 11 11 LEU CA C 11 58.295 55.504 2.791 1
1 62 . 4 1 1 A 11 11 LEU CB C 11 41.541 43.454 -1.913 1
1 66 . 4 1 1 A 11 11 LEU N N 11 119.267 120.523 -1.256 1
1 67 . 4 1 1 A 12 12 GLU H H 12 7.640 8.072 -0.432 1
1 68 . 4 1 1 A 12 12 GLU HA H 12 4.033 3.982 0.051 1
1 69 . 4 1 1 A 12 12 GLU C C 12 179.050 179.463 -0.413 1
1 70 . 4 1 1 A 12 12 GLU CA C 12 59.137 59.521 -0.384 1
1 71 . 4 1 1 A 12 12 GLU CB C 12 29.351 29.070 0.281 1
1 72 . 4 1 1 A 12 12 GLU N N 12 119.459 119.398 0.061 1
1 73 . 4 1 1 A 13 13 GLY H H 13 8.624 8.461 0.163 1
1 74 . 4 1 1 A 13 13 GLY HA2 H 13 3.083 3.643 -0.560 1
1 75 . 4 1 1 A 13 13 GLY HA3 H 13 2.863 3.729 -0.866 1
1 76 . 4 1 1 A 13 13 GLY C C 13 175.651 175.838 -0.187 1
1 77 . 4 1 1 A 13 13 GLY CA C 13 48.592 47.130 1.462 1
1 78 . 4 1 1 A 13 13 GLY N N 13 110.175 109.682 0.493 1
1 79 . 4 1 1 A 14 14 VAL H H 14 8.757 7.661 1.096 1
1 80 . 4 1 1 A 14 14 VAL HA H 14 3.532 3.678 -0.146 1
1 88 . 4 1 1 A 14 14 VAL C C 14 177.103 177.480 -0.377 1
1 89 . 4 1 1 A 14 14 VAL CA C 14 67.661 65.702 1.959 1
1 90 . 4 1 1 A 14 14 VAL CB C 14 31.430 31.733 -0.303 1
1 93 . 4 1 1 A 14 14 VAL N N 14 124.361 122.235 2.126 1
1 94 . 4 1 1 A 15 15 LEU H H 15 7.555 7.927 -0.372 1
1 95 . 4 1 1 A 15 15 LEU HA H 15 4.089 3.889 0.200 1
1 105 . 4 1 1 A 15 15 LEU C C 15 181.353 179.091 2.262 1
1 106 . 4 1 1 A 15 15 LEU CA C 15 58.775 58.010 0.765 1
1 107 . 4 1 1 A 15 15 LEU CB C 15 39.871 41.946 -2.075 1
1 111 . 4 1 1 A 15 15 LEU N N 15 119.975 119.902 0.073 1
1 112 . 4 1 1 A 16 16 GLN H H 16 7.878 7.955 -0.077 1
1 113 . 4 1 1 A 16 16 GLN C C 16 177.675 177.853 -0.178 1
1 114 . 4 1 1 A 16 16 GLN CA C 16 58.023 59.041 -1.018 1
1 115 . 4 1 1 A 16 16 GLN CB C 16 27.162 28.801 -1.639 1
1 116 . 4 1 1 A 16 16 GLN N N 16 117.171 118.035 -0.864 1
1 117 . 4 1 1 A 17 17 TYR H H 17 9.044 8.271 0.773 1
1 118 . 4 1 1 A 17 17 TYR HA H 17 3.637 4.285 -0.648 1
1 125 . 4 1 1 A 17 17 TYR C C 17 179.591 177.871 1.720 1
1 126 . 4 1 1 A 17 17 TYR CA C 17 62.233 61.353 0.880 1
1 127 . 4 1 1 A 17 17 TYR CB C 17 38.759 38.388 0.371 1
1 128 . 4 1 1 A 17 17 TYR N N 17 124.139 119.297 4.842 1
1 129 . 4 1 1 A 18 18 ASP H H 18 9.408 9.011 0.397 1
1 130 . 4 1 1 A 18 18 ASP HA H 18 4.392 4.483 -0.091 1
1 133 . 4 1 1 A 18 18 ASP C C 18 177.432 175.953 1.479 1
1 134 . 4 1 1 A 18 18 ASP CA C 18 57.155 56.578 0.577 1
1 135 . 4 1 1 A 18 18 ASP CB C 18 39.901 40.692 -0.791 1
1 136 . 4 1 1 A 18 18 ASP N N 18 122.934 119.093 3.841 1
1 137 . 4 1 1 A 19 19 ALA H H 19 7.264 7.748 -0.484 1
1 138 . 4 1 1 A 19 19 ALA HA H 19 4.294 4.512 -0.218 1
1 142 . 4 1 1 A 19 19 ALA C C 19 177.336 178.226 -0.890 1
1 143 . 4 1 1 A 19 19 ALA CA C 19 52.171 50.959 1.212 1
1 144 . 4 1 1 A 19 19 ALA CB C 19 18.870 20.427 -1.557 1
1 145 . 4 1 1 A 19 19 ALA N N 19 119.827 120.773 -0.946 1
1 146 . 4 1 1 A 20 20 GLY H H 20 7.667 8.838 -1.171 1
1 147 . 4 1 1 A 20 20 GLY HA2 H 20 3.844 3.621 0.223 1
1 148 . 4 1 1 A 20 20 GLY HA3 H 20 2.653 3.980 -1.327 1
1 149 . 4 1 1 A 20 20 GLY C C 20 173.498 174.763 -1.265 1
1 150 . 4 1 1 A 20 20 GLY CA C 20 44.003 47.367 -3.364 1
1 151 . 4 1 1 A 20 20 GLY N N 20 106.574 110.055 -3.481 1
1 152 . 4 1 1 A 21 21 ASN H H 21 7.998 7.940 0.058 1
1 153 . 4 1 1 A 21 21 ASN HA H 21 4.884 4.486 0.398 1
1 156 . 4 1 1 A 21 21 ASN C C 21 175.654 174.708 0.946 1
1 157 . 4 1 1 A 21 21 ASN CA C 21 50.397 54.437 -4.040 1
1 158 . 4 1 1 A 21 21 ASN CB C 21 35.866 36.169 -0.303 1
1 159 . 4 1 1 A 21 21 ASN N N 21 121.852 114.339 7.513 1
1 160 . 4 1 1 A 22 22 TYR H H 22 7.024 7.883 -0.859 1
1 161 . 4 1 1 A 22 22 TYR HA H 22 4.203 4.365 -0.162 1
1 166 . 4 1 1 A 22 22 TYR C C 22 179.639 178.384 1.255 1
1 167 . 4 1 1 A 22 22 TYR CA C 22 61.732 60.453 1.279 1
1 168 . 4 1 1 A 22 22 TYR CB C 22 37.840 38.134 -0.294 1
1 169 . 4 1 1 A 22 22 TYR N N 22 119.554 117.502 2.052 1
1 170 . 4 1 1 A 23 23 THR H H 23 9.025 8.342 0.683 1
1 171 . 4 1 1 A 23 23 THR HA H 23 3.742 4.136 -0.394 1
1 176 . 4 1 1 A 23 23 THR C C 23 176.384 176.073 0.311 1
1 177 . 4 1 1 A 23 23 THR CA C 23 67.528 67.502 0.026 1
1 178 . 4 1 1 A 23 23 THR CB C 23 67.962 68.249 -0.287 1
1 180 . 4 1 1 A 23 23 THR N N 23 117.377 115.270 2.107 1
1 181 . 4 1 1 A 24 24 GLU H H 24 8.762 8.564 0.198 1
1 182 . 4 1 1 A 24 24 GLU HA H 24 3.959 4.021 -0.062 1
1 183 . 4 1 1 A 24 24 GLU C C 24 179.843 179.174 0.669 1
1 184 . 4 1 1 A 24 24 GLU CA C 24 60.243 59.798 0.445 1
1 185 . 4 1 1 A 24 24 GLU CB C 24 28.510 29.300 -0.790 1
1 186 . 4 1 1 A 24 24 GLU N N 24 123.212 122.455 0.757 1
1 187 . 4 1 1 A 25 25 SER H H 25 8.152 8.408 -0.256 1
1 188 . 4 1 1 A 25 25 SER HA H 25 4.057 4.164 -0.107 1
1 190 . 4 1 1 A 25 25 SER C C 25 174.017 177.020 -3.003 1
1 191 . 4 1 1 A 25 25 SER CA C 25 62.319 61.422 0.897 1
1 192 . 4 1 1 A 25 25 SER CB C 25 62.345 63.037 -0.692 1
1 193 . 4 1 1 A 25 25 SER N N 25 115.914 115.440 0.474 1
1 194 . 4 1 1 A 26 26 ILE H H 26 7.593 8.220 -0.627 1
1 195 . 4 1 1 A 26 26 ILE HA H 26 3.560 3.963 -0.403 1
1 204 . 4 1 1 A 26 26 ILE C C 26 176.788 177.553 -0.765 1
1 205 . 4 1 1 A 26 26 ILE CA C 26 66.713 63.996 2.717 1
1 206 . 4 1 1 A 26 26 ILE CB C 26 36.519 37.218 -0.699 1
1 210 . 4 1 1 A 26 26 ILE N N 26 122.676 123.827 -1.151 1
1 211 . 4 1 1 A 27 27 ASP H H 27 6.944 7.823 -0.879 1
1 212 . 4 1 1 A 27 27 ASP HA H 27 4.239 4.506 -0.267 1
1 214 . 4 1 1 A 27 27 ASP C C 27 178.538 179.035 -0.497 1
1 215 . 4 1 1 A 27 27 ASP CA C 27 57.449 57.387 0.062 1
1 216 . 4 1 1 A 27 27 ASP CB C 27 40.758 40.319 0.439 1
1 217 . 4 1 1 A 27 27 ASP N N 27 118.062 121.675 -3.613 1
1 218 . 4 1 1 A 28 28 LEU H H 28 6.971 7.666 -0.695 1
1 219 . 4 1 1 A 28 28 LEU HA H 28 3.776 4.063 -0.287 1
1 229 . 4 1 1 A 28 28 LEU C C 28 178.716 179.221 -0.505 1
1 230 . 4 1 1 A 28 28 LEU CA C 28 58.135 57.866 0.269 1
1 231 . 4 1 1 A 28 28 LEU CB C 28 40.491 41.893 -1.402 1
1 235 . 4 1 1 A 28 28 LEU N N 28 120.290 120.549 -0.259 1
1 236 . 4 1 1 A 29 29 PHE H H 29 8.520 8.177 0.343 1
1 237 . 4 1 1 A 29 29 PHE HA H 29 4.324 4.201 0.123 1
1 240 . 4 1 1 A 29 29 PHE C C 29 178.284 177.919 0.365 1
1 241 . 4 1 1 A 29 29 PHE CA C 29 59.548 60.486 -0.938 1
1 242 . 4 1 1 A 29 29 PHE CB C 29 37.576 38.566 -0.990 1
1 243 . 4 1 1 A 29 29 PHE N N 29 118.434 117.670 0.764 1
1 244 . 4 1 1 A 30 30 GLU H H 30 8.779 8.481 0.298 1
1 245 . 4 1 1 A 30 30 GLU HA H 30 3.795 3.782 0.013 1
1 246 . 4 1 1 A 30 30 GLU C C 30 178.966 178.904 0.062 1
1 247 . 4 1 1 A 30 30 GLU CA C 30 59.452 60.009 -0.557 1
1 248 . 4 1 1 A 30 30 GLU CB C 30 29.049 29.186 -0.137 1
1 249 . 4 1 1 A 30 30 GLU N N 30 117.548 119.570 -2.022 1
1 250 . 4 1 1 A 31 31 LYS H H 31 7.318 7.564 -0.246 1
1 251 . 4 1 1 A 31 31 LYS HA H 31 3.668 3.934 -0.266 1
1 259 . 4 1 1 A 31 31 LYS C C 31 178.665 179.091 -0.426 1
1 260 . 4 1 1 A 31 31 LYS CA C 31 59.401 59.310 0.091 1
1 261 . 4 1 1 A 31 31 LYS CB C 31 31.113 32.410 -1.297 1
1 264 . 4 1 1 A 31 31 LYS N N 31 120.410 119.837 0.573 1
1 265 . 4 1 1 A 32 32 ALA H H 32 7.311 7.806 -0.495 1
1 266 . 4 1 1 A 32 32 ALA HA H 32 3.859 3.463 0.396 1
1 270 . 4 1 1 A 32 32 ALA C C 32 178.384 179.668 -1.284 1
1 271 . 4 1 1 A 32 32 ALA CA C 32 54.697 54.737 -0.040 1
1 272 . 4 1 1 A 32 32 ALA CB C 32 15.999 17.837 -1.838 1
1 273 . 4 1 1 A 32 32 ALA N N 32 121.277 121.980 -0.703 1
1 274 . 4 1 1 A 33 33 ILE H H 33 8.114 7.488 0.626 1
1 275 . 4 1 1 A 33 33 ILE HA H 33 3.469 3.138 0.331 1
1 285 . 4 1 1 A 33 33 ILE C C 33 176.970 177.959 -0.989 1
1 286 . 4 1 1 A 33 33 ILE CA C 33 64.857 64.260 0.597 1
1 287 . 4 1 1 A 33 33 ILE CB C 33 38.669 36.466 2.203 1
1 291 . 4 1 1 A 33 33 ILE N N 33 118.905 117.968 0.937 1
1 292 . 4 1 1 A 34 34 GLN H H 34 7.790 7.655 0.135 1
1 293 . 4 1 1 A 34 34 GLN HA H 34 3.853 3.965 -0.112 1
1 296 . 4 1 1 A 34 34 GLN C C 34 178.320 178.406 -0.086 1
1 297 . 4 1 1 A 34 34 GLN CA C 34 57.696 58.624 -0.928 1
1 298 . 4 1 1 A 34 34 GLN CB C 34 28.457 28.319 0.138 1
1 299 . 4 1 1 A 34 34 GLN N N 34 115.405 121.905 -6.500 1
1 300 . 4 1 1 A 35 35 LEU H H 35 7.092 7.163 -0.071 1
1 301 . 4 1 1 A 35 35 LEU HA H 35 4.354 4.032 0.322 1
1 311 . 4 1 1 A 35 35 LEU C C 35 177.841 176.560 1.281 1
1 312 . 4 1 1 A 35 35 LEU CA C 35 56.273 56.866 -0.593 1
1 313 . 4 1 1 A 35 35 LEU CB C 35 43.490 42.274 1.216 1
1 317 . 4 1 1 A 35 35 LEU N N 35 116.678 118.152 -1.474 1
1 318 . 4 1 1 A 36 36 ASP H H 36 8.367 7.206 1.161 1
1 319 . 4 1 1 A 36 36 ASP CA C 36 52.138 52.518 -0.380 1
1 320 . 4 1 1 A 36 36 ASP CB C 36 41.549 43.608 -2.059 1
1 321 . 4 1 1 A 36 36 ASP N N 36 117.682 112.757 4.925 1
1 322 . 4 1 1 A 37 37 PRO HA H 37 4.940 4.639 0.301 1
1 329 . 4 1 1 A 37 37 PRO C C 37 178.088 177.122 0.966 1
1 330 . 4 1 1 A 37 37 PRO CA C 37 64.272 62.430 1.842 1
1 331 . 4 1 1 A 37 37 PRO CB C 37 32.155 32.404 -0.249 1
1 334 . 4 1 1 A 38 38 GLU H H 38 7.853 9.190 -1.337 1
1 335 . 4 1 1 A 38 38 GLU HA H 38 4.436 4.183 0.253 1
1 337 . 4 1 1 A 38 38 GLU C C 38 174.874 175.428 -0.554 1
1 338 . 4 1 1 A 38 38 GLU CA C 38 56.200 57.813 -1.613 1
1 339 . 4 1 1 A 38 38 GLU CB C 38 29.589 28.914 0.675 1
1 340 . 4 1 1 A 38 38 GLU N N 38 116.933 119.897 -2.964 1
1 341 . 4 1 1 A 39 39 GLU H H 39 6.992 8.163 -1.171 1
1 342 . 4 1 1 A 39 39 GLU HA H 39 4.313 4.738 -0.425 1
1 343 . 4 1 1 A 39 39 GLU C C 39 176.082 176.447 -0.365 1
1 344 . 4 1 1 A 39 39 GLU CA C 39 54.591 55.412 -0.821 1
1 345 . 4 1 1 A 39 39 GLU CB C 39 29.177 30.530 -1.353 1
1 346 . 4 1 1 A 39 39 GLU N N 39 119.900 118.665 1.235 1
1 347 . 4 1 1 A 40 40 SER H H 40 8.458 8.910 -0.452 1
1 348 . 4 1 1 A 40 40 SER HA H 40 4.103 3.944 0.159 1
1 350 . 4 1 1 A 40 40 SER C C 40 176.323 176.504 -0.181 1
1 351 . 4 1 1 A 40 40 SER CA C 40 61.929 62.072 -0.143 1
1 352 . 4 1 1 A 40 40 SER CB C 40 63.232 63.125 0.107 1
1 353 . 4 1 1 A 40 40 SER N N 40 125.619 121.236 4.383 1
1 354 . 4 1 1 A 41 41 LYS H H 41 9.248 8.306 0.942 1
1 355 . 4 1 1 A 41 41 LYS HA H 41 4.068 4.078 -0.010 1
1 358 . 4 1 1 A 41 41 LYS C C 41 177.520 178.818 -1.298 1
1 359 . 4 1 1 A 41 41 LYS CA C 41 59.259 58.831 0.428 1
1 360 . 4 1 1 A 41 41 LYS CB C 41 31.161 32.324 -1.163 1
1 361 . 4 1 1 A 41 41 LYS N N 41 119.120 121.778 -2.658 1
1 362 . 4 1 1 A 42 42 TYR H H 42 6.924 8.216 -1.292 1
1 363 . 4 1 1 A 42 42 TYR HA H 42 4.301 4.385 -0.084 1
1 368 . 4 1 1 A 42 42 TYR C C 42 177.269 177.936 -0.667 1
1 369 . 4 1 1 A 42 42 TYR CA C 42 57.603 59.922 -2.319 1
1 370 . 4 1 1 A 42 42 TYR CB C 42 37.063 37.468 -0.405 1
1 371 . 4 1 1 A 42 42 TYR N N 42 118.666 117.917 0.749 1
1 372 . 4 1 1 A 43 43 TRP H H 43 6.662 7.063 -0.401 1
1 373 . 4 1 1 A 43 43 TRP HA H 43 3.910 4.337 -0.427 1
1 378 . 4 1 1 A 43 43 TRP C C 43 178.823 178.556 0.267 1
1 379 . 4 1 1 A 43 43 TRP CA C 43 59.953 60.070 -0.117 1
1 380 . 4 1 1 A 43 43 TRP CB C 43 30.759 29.728 1.031 1
1 381 . 4 1 1 A 43 43 TRP N N 43 118.990 121.266 -2.276 1
1 383 . 4 1 1 A 44 44 LEU H H 44 8.412 9.101 -0.689 1
1 384 . 4 1 1 A 44 44 LEU HA H 44 4.112 4.163 -0.051 1
1 394 . 4 1 1 A 44 44 LEU C C 44 177.758 178.729 -0.971 1
1 395 . 4 1 1 A 44 44 LEU CA C 44 58.613 58.210 0.403 1
1 396 . 4 1 1 A 44 44 LEU CB C 44 42.004 41.271 0.733 1
1 400 . 4 1 1 A 44 44 LEU N N 44 118.970 121.259 -2.289 1
1 401 . 4 1 1 A 45 45 MET H H 45 7.403 7.772 -0.369 1
1 402 . 4 1 1 A 45 45 MET HA H 45 4.270 4.047 0.223 1
1 403 . 4 1 1 A 45 45 MET C C 45 177.749 178.350 -0.601 1
1 404 . 4 1 1 A 45 45 MET CA C 45 55.159 58.959 -3.800 1
1 405 . 4 1 1 A 45 45 MET CB C 45 26.925 32.735 -5.810 1
1 406 . 4 1 1 A 45 45 MET N N 45 113.618 117.361 -3.743 1
1 407 . 4 1 1 A 46 46 LYS H H 46 7.623 7.868 -0.245 1
1 408 . 4 1 1 A 46 46 LYS HA H 46 3.906 3.734 0.172 1
1 409 . 4 1 1 A 46 46 LYS C C 46 178.056 179.379 -1.323 1
1 410 . 4 1 1 A 46 46 LYS CA C 46 61.394 59.783 1.611 1
1 411 . 4 1 1 A 46 46 LYS CB C 46 32.442 32.036 0.406 1
1 412 . 4 1 1 A 46 46 LYS N N 46 119.840 119.992 -0.152 1
1 413 . 4 1 1 A 47 47 GLY H H 47 8.495 8.368 0.127 1
1 414 . 4 1 1 A 47 47 GLY HA2 H 47 3.730 3.115 0.615 1
1 415 . 4 1 1 A 47 47 GLY HA3 H 47 3.612 3.475 0.137 1
1 416 . 4 1 1 A 47 47 GLY C C 47 175.340 175.724 -0.384 1
1 417 . 4 1 1 A 47 47 GLY CA C 47 47.689 47.194 0.495 1
1 418 . 4 1 1 A 47 47 GLY N N 47 105.741 107.319 -1.578 1
1 419 . 4 1 1 A 48 48 LYS H H 48 8.760 7.772 0.988 1
1 420 . 4 1 1 A 48 48 LYS HA H 48 3.969 4.176 -0.207 1
1 428 . 4 1 1 A 48 48 LYS C C 48 180.425 179.364 1.061 1
1 429 . 4 1 1 A 48 48 LYS CA C 48 60.506 59.849 0.657 1
1 430 . 4 1 1 A 48 48 LYS CB C 48 30.964 32.244 -1.280 1
1 433 . 4 1 1 A 48 48 LYS N N 48 122.568 121.768 0.800 1
1 434 . 4 1 1 A 49 49 ALA H H 49 8.668 7.858 0.810 1
1 435 . 4 1 1 A 49 49 ALA HA H 49 4.084 4.113 -0.029 1
1 439 . 4 1 1 A 49 49 ALA C C 49 178.870 180.127 -1.257 1
1 440 . 4 1 1 A 49 49 ALA CA C 49 55.777 55.216 0.561 1
1 441 . 4 1 1 A 49 49 ALA CB C 49 17.702 18.708 -1.006 1
1 442 . 4 1 1 A 49 49 ALA N N 49 124.484 122.298 2.186 1
1 443 . 4 1 1 A 50 50 LEU H H 50 8.192 8.082 0.110 1
1 444 . 4 1 1 A 50 50 LEU HA H 50 3.771 3.929 -0.158 1
1 454 . 4 1 1 A 50 50 LEU C C 50 179.839 178.745 1.094 1
1 455 . 4 1 1 A 50 50 LEU CA C 50 58.727 57.771 0.956 1
1 456 . 4 1 1 A 50 50 LEU CB C 50 40.549 41.704 -1.155 1
1 460 . 4 1 1 A 50 50 LEU N N 50 118.843 118.160 0.683 1
1 461 . 4 1 1 A 51 51 TYR H H 51 9.282 8.392 0.890 1
1 462 . 4 1 1 A 51 51 TYR HA H 51 3.557 3.807 -0.250 1
1 469 . 4 1 1 A 51 51 TYR C C 51 179.177 177.938 1.239 1
1 470 . 4 1 1 A 51 51 TYR CA C 51 61.878 61.977 -0.099 1
1 471 . 4 1 1 A 51 51 TYR CB C 51 38.249 38.649 -0.400 1
1 472 . 4 1 1 A 51 51 TYR N N 51 122.719 119.518 3.201 1
1 473 . 4 1 1 A 52 52 ASN H H 52 7.882 8.398 -0.516 1
1 474 . 4 1 1 A 52 52 ASN HA H 52 4.084 4.190 -0.106 1
1 477 . 4 1 1 A 52 52 ASN C C 52 175.615 176.783 -1.168 1
1 478 . 4 1 1 A 52 52 ASN CA C 52 55.964 56.049 -0.085 1
1 479 . 4 1 1 A 52 52 ASN CB C 52 37.219 39.557 -2.338 1
1 480 . 4 1 1 A 52 52 ASN N N 52 120.327 117.883 2.444 1
1 481 . 4 1 1 A 53 53 LEU H H 53 7.178 7.452 -0.274 1
1 482 . 4 1 1 A 53 53 LEU HA H 53 4.299 4.181 0.118 1
1 492 . 4 1 1 A 53 53 LEU C C 53 175.095 175.635 -0.540 1
1 493 . 4 1 1 A 53 53 LEU CA C 53 54.112 54.717 -0.605 1
1 494 . 4 1 1 A 53 53 LEU CB C 53 42.548 41.797 0.751 1
1 498 . 4 1 1 A 53 53 LEU N N 53 119.827 117.158 2.669 1
1 499 . 4 1 1 A 54 54 GLU H H 54 7.515 7.729 -0.214 1
1 500 . 4 1 1 A 54 54 GLU C C 54 175.118 175.392 -0.274 1
1 501 . 4 1 1 A 54 54 GLU CA C 54 56.811 57.114 -0.303 1
1 502 . 4 1 1 A 54 54 GLU CB C 54 25.944 26.706 -0.762 1
1 503 . 4 1 1 A 54 54 GLU N N 54 112.799 115.114 -2.315 1
1 504 . 4 1 1 A 55 55 ARG H H 55 7.719 7.930 -0.211 1
1 505 . 4 1 1 A 55 55 ARG HA H 55 4.407 4.584 -0.177 1
1 512 . 4 1 1 A 55 55 ARG C C 55 176.820 176.072 0.748 1
1 513 . 4 1 1 A 55 55 ARG CA C 55 54.493 54.109 0.384 1
1 514 . 4 1 1 A 55 55 ARG CB C 55 29.041 28.862 0.179 1
1 517 . 4 1 1 A 55 55 ARG N N 55 122.369 119.251 3.118 1
1 518 . 4 1 1 A 56 56 TYR H H 56 6.403 7.573 -1.170 1
1 519 . 4 1 1 A 56 56 TYR HA H 56 3.879 4.252 -0.373 1
1 526 . 4 1 1 A 56 56 TYR C C 56 177.879 178.130 -0.251 1
1 527 . 4 1 1 A 56 56 TYR CA C 56 62.080 60.990 1.090 1
1 528 . 4 1 1 A 56 56 TYR CB C 56 38.443 38.096 0.347 1
1 529 . 4 1 1 A 56 56 TYR N N 56 117.128 120.199 -3.071 1
1 530 . 4 1 1 A 57 57 GLU H H 57 9.032 8.327 0.705 1
1 531 . 4 1 1 A 57 57 GLU HA H 57 3.865 3.962 -0.097 1
1 532 . 4 1 1 A 57 57 GLU C C 57 179.417 179.383 0.034 1
1 533 . 4 1 1 A 57 57 GLU CA C 57 60.722 59.761 0.961 1
1 534 . 4 1 1 A 57 57 GLU CB C 57 29.124 29.355 -0.231 1
1 535 . 4 1 1 A 57 57 GLU N N 57 118.981 120.443 -1.462 1
1 536 . 4 1 1 A 58 58 GLU H H 58 8.286 8.057 0.229 1
1 537 . 4 1 1 A 58 58 GLU HA H 58 4.050 3.996 0.054 1
1 538 . 4 1 1 A 58 58 GLU C C 58 179.476 179.038 0.438 1
1 539 . 4 1 1 A 58 58 GLU CA C 58 59.289 59.420 -0.131 1
1 540 . 4 1 1 A 58 58 GLU CB C 58 31.234 29.558 1.676 1
1 541 . 4 1 1 A 58 58 GLU N N 58 119.123 120.367 -1.244 1
1 542 . 4 1 1 A 59 59 ALA H H 59 8.131 8.596 -0.465 1
1 543 . 4 1 1 A 59 59 ALA HA H 59 3.786 3.873 -0.087 1
1 547 . 4 1 1 A 59 59 ALA C C 59 178.281 179.971 -1.690 1
1 548 . 4 1 1 A 59 59 ALA CA C 59 56.324 55.280 1.044 1
1 549 . 4 1 1 A 59 59 ALA CB C 59 17.444 18.109 -0.665 1
1 550 . 4 1 1 A 59 59 ALA N N 59 124.009 122.880 1.129 1
1 551 . 4 1 1 A 60 60 VAL H H 60 8.079 7.972 0.107 1
1 552 . 4 1 1 A 60 60 VAL HA H 60 3.439 3.538 -0.099 1
1 560 . 4 1 1 A 60 60 VAL C C 60 177.323 177.572 -0.249 1
1 561 . 4 1 1 A 60 60 VAL CA C 60 67.410 66.745 0.665 1
1 562 . 4 1 1 A 60 60 VAL CB C 60 31.259 31.369 -0.110 1
1 565 . 4 1 1 A 60 60 VAL N N 60 116.647 118.256 -1.609 1
1 566 . 4 1 1 A 61 61 ASP H H 61 7.737 7.985 -0.248 1
1 567 . 4 1 1 A 61 61 ASP HA H 61 4.446 4.287 0.159 1
1 570 . 4 1 1 A 61 61 ASP C C 61 179.986 178.138 1.848 1
1 571 . 4 1 1 A 61 61 ASP CA C 61 58.123 57.696 0.427 1
1 572 . 4 1 1 A 61 61 ASP CB C 61 40.160 42.343 -2.183 1
1 573 . 4 1 1 A 61 61 ASP N N 61 119.276 119.941 -0.665 1
1 574 . 4 1 1 A 62 62 CYS H H 62 7.387 7.713 -0.326 1
1 575 . 4 1 1 A 62 62 CYS HA H 62 4.337 3.619 0.718 1
1 578 . 4 1 1 A 62 62 CYS C C 62 176.276 176.786 -0.510 1
1 579 . 4 1 1 A 62 62 CYS CA C 62 63.585 63.183 0.402 1
1 580 . 4 1 1 A 62 62 CYS CB C 62 26.441 27.702 -1.261 1
1 581 . 4 1 1 A 62 62 CYS N N 62 118.794 117.421 1.373 1
1 582 . 4 1 1 A 63 63 TYR H H 63 7.391 7.551 -0.160 1
1 583 . 4 1 1 A 63 63 TYR HA H 63 4.249 4.191 0.058 1
1 588 . 4 1 1 A 63 63 TYR C C 63 178.113 178.468 -0.355 1
1 589 . 4 1 1 A 63 63 TYR CA C 63 57.994 61.623 -3.629 1
1 590 . 4 1 1 A 63 63 TYR CB C 63 36.288 37.535 -1.247 1
1 591 . 4 1 1 A 63 63 TYR N N 63 119.775 118.893 0.882 1
1 592 . 4 1 1 A 64 64 ASN H H 64 9.121 8.479 0.642 1
1 593 . 4 1 1 A 64 64 ASN HA H 64 4.328 4.332 -0.004 1
1 596 . 4 1 1 A 64 64 ASN C C 64 177.346 177.500 -0.154 1
1 597 . 4 1 1 A 64 64 ASN CA C 64 54.809 56.188 -1.379 1
1 598 . 4 1 1 A 64 64 ASN CB C 64 36.904 37.489 -0.585 1
1 599 . 4 1 1 A 64 64 ASN N N 64 117.343 117.391 -0.048 1
1 600 . 4 1 1 A 65 65 TYR H H 65 7.635 7.667 -0.032 1
1 601 . 4 1 1 A 65 65 TYR HA H 65 3.660 3.915 -0.255 1
1 608 . 4 1 1 A 65 65 TYR C C 65 178.599 176.753 1.846 1
1 609 . 4 1 1 A 65 65 TYR CA C 65 62.267 61.286 0.981 1
1 610 . 4 1 1 A 65 65 TYR CB C 65 37.886 38.195 -0.309 1
1 611 . 4 1 1 A 65 65 TYR N N 65 124.181 122.331 1.850 1
1 612 . 4 1 1 A 66 66 VAL H H 66 7.093 7.684 -0.591 1
1 613 . 4 1 1 A 66 66 VAL HA H 66 3.316 3.548 -0.232 1
1 621 . 4 1 1 A 66 66 VAL C C 66 177.070 178.430 -1.360 1
1 622 . 4 1 1 A 66 66 VAL CA C 66 65.944 66.705 -0.761 1
1 623 . 4 1 1 A 66 66 VAL CB C 66 31.613 31.426 0.187 1
1 626 . 4 1 1 A 66 66 VAL N N 66 119.247 119.310 -0.063 1
1 627 . 4 1 1 A 67 67 ILE H H 67 7.640 8.221 -0.581 1
1 628 . 4 1 1 A 67 67 ILE HA H 67 3.056 3.564 -0.508 1
1 638 . 4 1 1 A 67 67 ILE C C 67 176.822 178.213 -1.391 1
1 639 . 4 1 1 A 67 67 ILE CA C 67 64.902 65.164 -0.262 1
1 640 . 4 1 1 A 67 67 ILE CB C 67 39.444 37.766 1.678 1
1 644 . 4 1 1 A 67 67 ILE N N 67 117.814 120.323 -2.509 1
1 645 . 4 1 1 A 68 68 ASN H H 68 8.587 8.330 0.257 1
1 646 . 4 1 1 A 68 68 ASN HA H 68 4.564 4.408 0.156 1
1 649 . 4 1 1 A 68 68 ASN C C 68 176.007 177.852 -1.845 1
1 650 . 4 1 1 A 68 68 ASN CA C 68 54.569 55.601 -1.032 1
1 651 . 4 1 1 A 68 68 ASN CB C 68 39.424 38.376 1.048 1
1 652 . 4 1 1 A 68 68 ASN N N 68 112.692 118.608 -5.916 1
1 653 . 4 1 1 A 69 69 VAL H H 69 7.607 7.724 -0.117 1
1 654 . 4 1 1 A 69 69 VAL HA H 69 3.813 3.480 0.333 1
1 661 . 4 1 1 A 69 69 VAL C C 69 177.490 175.973 1.517 1
1 662 . 4 1 1 A 69 69 VAL CA C 69 64.763 66.631 -1.868 1
1 663 . 4 1 1 A 69 69 VAL CB C 69 30.804 31.540 -0.736 1
1 666 . 4 1 1 A 69 69 VAL N N 69 119.569 116.864 2.705 1
1 667 . 4 1 1 A 70 70 ILE H H 70 7.489 7.878 -0.389 1
1 668 . 4 1 1 A 70 70 ILE HA H 70 3.635 4.371 -0.736 1
1 678 . 4 1 1 A 70 70 ILE C C 70 176.523 176.794 -0.271 1
1 679 . 4 1 1 A 70 70 ILE CA C 70 64.090 60.252 3.838 1
1 680 . 4 1 1 A 70 70 ILE CB C 70 37.026 39.261 -2.235 1
1 684 . 4 1 1 A 70 70 ILE N N 70 119.276 119.895 -0.619 1
1 685 . 4 1 1 A 71 71 GLU H H 71 6.641 8.829 -2.188 1
1 686 . 4 1 1 A 71 71 GLU HA H 71 3.865 4.127 -0.262 1
1 690 . 4 1 1 A 71 71 GLU C C 71 176.415 177.391 -0.976 1
1 691 . 4 1 1 A 71 71 GLU CA C 71 57.229 57.566 -0.337 1
1 692 . 4 1 1 A 71 71 GLU CB C 71 26.142 28.162 -2.020 1
1 694 . 4 1 1 A 71 71 GLU N N 71 110.179 126.484 -16.305 1
1 695 . 4 1 1 A 72 72 ASP H H 72 7.744 8.631 -0.887 1
1 696 . 4 1 1 A 72 72 ASP HA H 72 4.813 4.293 0.520 1
1 699 . 4 1 1 A 72 72 ASP C C 72 176.230 176.222 0.008 1
1 700 . 4 1 1 A 72 72 ASP CA C 72 52.203 57.179 -4.976 1
1 701 . 4 1 1 A 72 72 ASP CB C 72 39.256 40.782 -1.526 1
1 702 . 4 1 1 A 72 72 ASP N N 72 121.733 121.925 -0.192 1
1 703 . 4 1 1 A 73 73 GLU H H 73 7.510 8.202 -0.692 1
1 704 . 4 1 1 A 73 73 GLU HA H 73 3.946 4.320 -0.374 1
1 709 . 4 1 1 A 73 73 GLU C C 73 176.745 175.875 0.870 1
1 710 . 4 1 1 A 73 73 GLU CA C 73 58.303 57.610 0.693 1
1 711 . 4 1 1 A 73 73 GLU CB C 73 30.664 28.821 1.843 1
1 713 . 4 1 1 A 73 73 GLU N N 73 116.724 117.912 -1.188 1
1 714 . 4 1 1 A 74 74 TYR H H 74 8.794 8.075 0.719 1
1 715 . 4 1 1 A 74 74 TYR HA H 74 4.875 4.908 -0.033 1
1 722 . 4 1 1 A 74 74 TYR C C 74 174.879 175.734 -0.855 1
1 723 . 4 1 1 A 74 74 TYR CA C 74 56.732 59.121 -2.389 1
1 724 . 4 1 1 A 74 74 TYR CB C 74 37.069 40.988 -3.919 1
1 725 . 4 1 1 A 74 74 TYR N N 74 120.080 119.371 0.709 1
1 726 . 4 1 1 A 75 75 ASN H H 75 7.237 8.617 -1.380 1
1 727 . 4 1 1 A 75 75 ASN HA H 75 4.601 4.673 -0.072 1
1 730 . 4 1 1 A 75 75 ASN C C 75 175.146 176.942 -1.796 1
1 731 . 4 1 1 A 75 75 ASN CA C 75 53.124 53.908 -0.784 1
1 732 . 4 1 1 A 75 75 ASN CB C 75 37.755 39.710 -1.955 1
1 733 . 4 1 1 A 75 75 ASN N N 75 118.665 118.338 0.327 1
1 734 . 4 1 1 A 76 76 LYS H H 76 8.672 8.601 0.071 1
1 735 . 4 1 1 A 76 76 LYS HA H 76 4.077 4.028 0.049 1
1 742 . 4 1 1 A 76 76 LYS C C 76 177.773 178.613 -0.840 1
1 743 . 4 1 1 A 76 76 LYS CA C 76 60.060 58.867 1.193 1
1 744 . 4 1 1 A 76 76 LYS CB C 76 37.827 31.940 5.887 1
1 748 . 4 1 1 A 76 76 LYS N N 76 127.868 124.640 3.228 1
1 749 . 4 1 1 A 77 77 ASP H H 77 7.946 8.116 -0.170 1
1 750 . 4 1 1 A 77 77 ASP HA H 77 4.414 4.431 -0.017 1
1 753 . 4 1 1 A 77 77 ASP C C 77 179.265 178.533 0.732 1
1 754 . 4 1 1 A 77 77 ASP CA C 77 57.127 57.469 -0.342 1
1 755 . 4 1 1 A 77 77 ASP CB C 77 40.634 41.670 -1.036 1
1 756 . 4 1 1 A 77 77 ASP N N 77 117.883 120.474 -2.591 1
1 757 . 4 1 1 A 78 78 VAL H H 78 7.653 8.045 -0.392 1
1 758 . 4 1 1 A 78 78 VAL HA H 78 3.282 3.441 -0.159 1
1 766 . 4 1 1 A 78 78 VAL C C 78 176.624 177.909 -1.285 1
1 767 . 4 1 1 A 78 78 VAL CA C 78 65.531 66.406 -0.875 1
1 768 . 4 1 1 A 78 78 VAL CB C 78 31.290 31.572 -0.282 1
1 771 . 4 1 1 A 78 78 VAL N N 78 121.259 118.937 2.322 1
1 772 . 4 1 1 A 79 79 TRP H H 79 7.626 8.004 -0.378 1
1 773 . 4 1 1 A 79 79 TRP HA H 79 4.107 4.340 -0.233 1
1 778 . 4 1 1 A 79 79 TRP C C 79 177.932 178.811 -0.879 1
1 779 . 4 1 1 A 79 79 TRP CA C 79 61.491 60.007 1.484 1
1 780 . 4 1 1 A 79 79 TRP CB C 79 28.665 28.917 -0.252 1
1 781 . 4 1 1 A 79 79 TRP N N 79 120.388 120.032 0.356 1
1 783 . 4 1 1 A 80 80 ALA H H 80 8.296 8.533 -0.237 1
1 784 . 4 1 1 A 80 80 ALA HA H 80 3.898 3.872 0.026 1
1 788 . 4 1 1 A 80 80 ALA C C 80 176.556 179.753 -3.197 1
1 789 . 4 1 1 A 80 80 ALA CA C 80 55.158 55.316 -0.158 1
1 790 . 4 1 1 A 80 80 ALA CB C 80 18.155 17.978 0.177 1
1 791 . 4 1 1 A 80 80 ALA N N 80 120.453 121.728 -1.275 1
1 792 . 4 1 1 A 81 81 ALA H H 81 7.405 7.981 -0.576 1
1 793 . 4 1 1 A 81 81 ALA HA H 81 3.837 3.884 -0.047 1
1 797 . 4 1 1 A 81 81 ALA C C 81 180.646 178.975 1.671 1
1 798 . 4 1 1 A 81 81 ALA CA C 81 55.028 55.010 0.018 1
1 799 . 4 1 1 A 81 81 ALA CB C 81 15.649 17.899 -2.250 1
1 800 . 4 1 1 A 81 81 ALA N N 81 120.915 120.348 0.567 1
1 801 . 4 1 1 A 82 82 LYS H H 82 8.244 7.740 0.504 1
1 802 . 4 1 1 A 82 82 LYS HA H 82 3.853 3.539 0.314 1
1 811 . 4 1 1 A 82 82 LYS C C 82 177.176 178.406 -1.230 1
1 812 . 4 1 1 A 82 82 LYS CA C 82 60.577 58.825 1.752 1
1 813 . 4 1 1 A 82 82 LYS CB C 82 32.243 31.963 0.280 1
1 816 . 4 1 1 A 82 82 LYS N N 82 121.979 118.188 3.791 1
1 817 . 4 1 1 A 83 83 ALA H H 83 8.422 8.210 0.212 1
1 818 . 4 1 1 A 83 83 ALA HA H 83 3.894 4.117 -0.223 1
1 822 . 4 1 1 A 83 83 ALA C C 83 178.746 179.865 -1.119 1
1 823 . 4 1 1 A 83 83 ALA CA C 83 56.268 55.218 1.050 1
1 824 . 4 1 1 A 83 83 ALA CB C 83 17.700 18.184 -0.484 1
1 825 . 4 1 1 A 83 83 ALA N N 83 121.419 121.661 -0.242 1
1 826 . 4 1 1 A 84 84 ASP H H 84 7.481 8.010 -0.529 1
1 827 . 4 1 1 A 84 84 ASP HA H 84 4.377 4.322 0.055 1
1 828 . 4 1 1 A 84 84 ASP C C 84 178.394 178.455 -0.061 1
1 829 . 4 1 1 A 84 84 ASP CA C 84 56.946 57.007 -0.061 1
1 830 . 4 1 1 A 84 84 ASP CB C 84 40.351 40.093 0.258 1
1 831 . 4 1 1 A 84 84 ASP N N 84 114.693 119.420 -4.727 1
1 832 . 4 1 1 A 85 85 ALA H H 85 7.680 7.177 0.503 1
1 833 . 4 1 1 A 85 85 ALA HA H 85 4.521 4.544 -0.023 1
1 837 . 4 1 1 A 85 85 ALA C C 85 179.100 180.596 -1.496 1
1 838 . 4 1 1 A 85 85 ALA CA C 85 55.819 55.172 0.647 1
1 839 . 4 1 1 A 85 85 ALA CB C 85 19.257 18.644 0.613 1
1 840 . 4 1 1 A 85 85 ALA N N 85 119.105 122.678 -3.573 1
1 841 . 4 1 1 A 86 86 LEU H H 86 8.516 8.174 0.342 1
1 842 . 4 1 1 A 86 86 LEU HA H 86 3.919 4.081 -0.162 1
1 852 . 4 1 1 A 86 86 LEU C C 86 178.767 178.779 -0.012 1
1 853 . 4 1 1 A 86 86 LEU CA C 86 48.892 57.276 -8.384 1
1 854 . 4 1 1 A 86 86 LEU CB C 86 43.011 41.728 1.283 1
1 858 . 4 1 1 A 86 86 LEU N N 86 115.208 119.984 -4.776 1
1 859 . 4 1 1 A 87 87 ARG H H 87 7.329 8.185 -0.856 1
1 860 . 4 1 1 A 87 87 ARG HA H 87 3.851 4.131 -0.280 1
1 867 . 4 1 1 A 87 87 ARG C C 87 176.800 176.165 0.635 1
1 868 . 4 1 1 A 87 87 ARG CA C 87 58.315 58.388 -0.073 1
1 869 . 4 1 1 A 87 87 ARG CB C 87 27.514 30.311 -2.797 1
1 872 . 4 1 1 A 87 87 ARG N N 87 115.227 119.659 -4.432 1
1 873 . 4 1 1 A 88 88 TYR H H 88 7.201 7.789 -0.588 1
1 874 . 4 1 1 A 88 88 TYR HA H 88 4.193 4.791 -0.598 1
1 881 . 4 1 1 A 88 88 TYR C C 88 174.958 173.053 1.905 1
1 882 . 4 1 1 A 88 88 TYR CA C 88 58.463 57.018 1.445 1
1 883 . 4 1 1 A 88 88 TYR CB C 88 38.457 38.713 -0.256 1
1 884 . 4 1 1 A 88 88 TYR N N 88 115.558 118.405 -2.847 1
1 885 . 4 1 1 A 89 89 ILE H H 89 7.374 8.662 -1.288 1
1 886 . 4 1 1 A 89 89 ILE HA H 89 4.175 4.630 -0.455 1
1 895 . 4 1 1 A 89 89 ILE C C 89 174.900 174.127 0.773 1
1 896 . 4 1 1 A 89 89 ILE CA C 89 60.978 59.457 1.521 1
1 897 . 4 1 1 A 89 89 ILE CB C 89 38.945 41.858 -2.913 1
1 901 . 4 1 1 A 89 89 ILE N N 89 122.120 126.571 -4.451 1
1 902 . 4 1 1 A 90 90 GLU H H 90 8.655 8.457 0.198 1
1 903 . 4 1 1 A 90 90 GLU HA H 90 4.159 3.990 0.169 1
1 905 . 4 1 1 A 90 90 GLU CA C 90 57.914 57.031 0.883 1
1 906 . 4 1 1 A 90 90 GLU CB C 90 29.894 29.477 0.417 1
1 907 . 4 1 1 A 90 90 GLU N N 90 128.417 124.831 3.586 1
1 908 . 4 1 1 A 91 91 GLY H H 91 9.089 8.628 0.461 1
1 909 . 4 1 1 A 91 91 GLY HA2 H 91 4.293 4.009 0.284 1
1 910 . 4 1 1 A 91 91 GLY HA3 H 91 4.039 4.016 0.023 1
1 911 . 4 1 1 A 91 91 GLY CA C 91 45.756 44.827 0.929 1
1 912 . 4 1 1 A 91 91 GLY N N 91 112.760 110.200 2.560 1
1 913 . 4 1 1 A 93 93 GLU C C 93 176.315 176.071 0.244 1
1 914 . 4 1 1 A 94 94 VAL H H 94 8.288 7.974 0.314 1
1 915 . 4 1 1 A 94 94 VAL HA H 94 3.800 3.768 0.032 1
1 920 . 4 1 1 A 94 94 VAL C C 94 178.292 176.296 1.996 1
1 921 . 4 1 1 A 94 94 VAL CA C 94 56.374 63.213 -6.839 1
1 922 . 4 1 1 A 94 94 VAL CB C 94 31.630 29.623 2.007 1
1 923 . 4 1 1 A 94 94 VAL N N 94 119.837 117.379 2.458 1
1 924 . 4 1 1 A 95 95 GLU H H 95 8.207 7.948 0.259 1
1 925 . 4 1 1 A 95 95 GLU HA H 95 3.931 4.028 -0.097 1
1 927 . 4 1 1 A 95 95 GLU C C 95 179.514 178.982 0.532 1
1 928 . 4 1 1 A 95 95 GLU CA C 95 60.215 59.240 0.975 1
1 929 . 4 1 1 A 95 95 GLU CB C 95 29.419 29.610 -0.191 1
1 930 . 4 1 1 A 95 95 GLU N N 95 120.805 123.395 -2.590 1
1 931 . 4 1 1 A 96 96 ALA H H 96 8.839 8.229 0.610 1
1 932 . 4 1 1 A 96 96 ALA HA H 96 4.029 4.064 -0.035 1
1 936 . 4 1 1 A 96 96 ALA C C 96 179.047 179.744 -0.697 1
1 937 . 4 1 1 A 96 96 ALA CA C 96 54.866 54.872 -0.006 1
1 938 . 4 1 1 A 96 96 ALA CB C 96 17.667 18.420 -0.753 1
1 939 . 4 1 1 A 96 96 ALA N N 96 123.226 121.666 1.560 1
1 940 . 4 1 1 A 97 97 GLU H H 97 7.763 7.870 -0.107 1
1 941 . 4 1 1 A 97 97 GLU HA H 97 4.055 4.107 -0.052 1
1 943 . 4 1 1 A 97 97 GLU C C 97 178.015 178.850 -0.835 1
1 944 . 4 1 1 A 97 97 GLU CA C 97 59.138 59.011 0.127 1
1 945 . 4 1 1 A 97 97 GLU CB C 97 29.588 29.446 0.142 1
1 946 . 4 1 1 A 97 97 GLU N N 97 118.606 117.908 0.698 1
1 947 . 4 1 1 A 98 98 ILE H H 98 8.118 7.884 0.234 1
1 948 . 4 1 1 A 98 98 ILE HA H 98 3.657 3.704 -0.047 1
1 958 . 4 1 1 A 98 98 ILE C C 98 178.015 177.894 0.121 1
1 959 . 4 1 1 A 98 98 ILE CA C 98 64.831 65.625 -0.794 1
1 960 . 4 1 1 A 98 98 ILE CB C 98 38.402 37.919 0.483 1
1 964 . 4 1 1 A 98 98 ILE N N 98 122.339 119.792 2.547 1
1 965 . 4 1 1 A 99 99 ALA H H 99 8.117 8.114 0.003 1
1 966 . 4 1 1 A 99 99 ALA HA H 99 4.210 4.161 0.049 1
1 970 . 4 1 1 A 99 99 ALA C C 99 178.762 179.116 -0.354 1
1 971 . 4 1 1 A 99 99 ALA CA C 99 55.360 55.629 -0.269 1
1 972 . 4 1 1 A 99 99 ALA CB C 99 17.499 18.349 -0.850 1
1 973 . 4 1 1 A 99 99 ALA N N 99 122.357 122.725 -0.368 1
1 974 . 4 1 1 A 100 100 GLU H H 100 8.345 8.544 -0.199 1
1 975 . 4 1 1 A 100 100 GLU HA H 100 3.787 4.004 -0.217 1
1 978 . 4 1 1 A 100 100 GLU C C 100 178.463 178.555 -0.092 1
1 979 . 4 1 1 A 100 100 GLU CA C 100 59.063 59.319 -0.256 1
1 980 . 4 1 1 A 100 100 GLU CB C 100 29.670 29.415 0.255 1
1 981 . 4 1 1 A 100 100 GLU N N 100 118.391 118.055 0.336 1
1 982 . 4 1 1 A 101 101 ALA H H 101 7.693 8.418 -0.725 1
1 983 . 4 1 1 A 101 101 ALA HA H 101 4.111 4.021 0.090 1
1 987 . 4 1 1 A 101 101 ALA C C 101 180.967 179.561 1.406 1
1 988 . 4 1 1 A 101 101 ALA CA C 101 54.383 55.122 -0.739 1
1 989 . 4 1 1 A 101 101 ALA CB C 101 18.097 18.200 -0.103 1
1 990 . 4 1 1 A 101 101 ALA N N 101 120.699 121.070 -0.371 1
1 991 . 4 1 1 A 102 102 ARG H H 102 7.959 8.560 -0.601 1
1 992 . 4 1 1 A 102 102 ARG HA H 102 3.705 3.834 -0.129 1
1 993 . 4 1 1 A 102 102 ARG C C 102 178.310 177.504 0.806 1
1 994 . 4 1 1 A 102 102 ARG CA C 102 57.696 58.439 -0.743 1
1 995 . 4 1 1 A 102 102 ARG CB C 102 28.404 29.370 -0.966 1
1 996 . 4 1 1 A 102 102 ARG N N 102 118.386 118.798 -0.412 1
1 997 . 4 1 1 A 103 103 ALA H H 103 7.896 8.322 -0.426 1
1 998 . 4 1 1 A 103 103 ALA HA H 103 4.108 3.961 0.147 1
1 1002 . 4 1 1 A 103 103 ALA C C 103 178.184 178.786 -0.602 1
1 1003 . 4 1 1 A 103 103 ALA CA C 103 54.210 54.627 -0.417 1
1 1004 . 4 1 1 A 103 103 ALA CB C 103 18.430 18.580 -0.150 1
1 1005 . 4 1 1 A 103 103 ALA N N 103 120.630 121.114 -0.484 1
1 1006 . 4 1 1 A 104 104 LYS H H 104 7.337 7.673 -0.336 1
1 1007 . 4 1 1 A 104 104 LYS HA H 104 4.150 4.382 -0.232 1
1 1013 . 4 1 1 A 104 104 LYS C C 104 177.211 176.173 1.038 1
1 1014 . 4 1 1 A 104 104 LYS CA C 104 56.429 55.904 0.525 1
1 1015 . 4 1 1 A 104 104 LYS CB C 104 32.810 32.654 0.156 1
1 1018 . 4 1 1 A 104 104 LYS N N 104 115.288 117.529 -2.241 1
1 1019 . 4 1 1 A 105 105 LEU H H 105 7.511 7.260 0.251 1
1 1020 . 4 1 1 A 105 105 LEU HA H 105 4.162 4.219 -0.057 1
1 1030 . 4 1 1 A 105 105 LEU C C 105 177.260 175.980 1.280 1
1 1031 . 4 1 1 A 105 105 LEU CA C 105 56.227 55.456 0.771 1
1 1032 . 4 1 1 A 105 105 LEU CB C 105 42.365 42.812 -0.447 1
1 1036 . 4 1 1 A 105 105 LEU N N 105 120.938 122.209 -1.271 1
1 1037 . 4 1 1 A 106 106 GLU H H 106 8.283 8.759 -0.476 1
1 1038 . 4 1 1 A 106 106 GLU HA H 106 4.167 4.327 -0.160 1
1 1041 . 4 1 1 A 106 106 GLU C C 106 173.877 177.247 -3.370 1
1 1042 . 4 1 1 A 106 106 GLU CA C 106 55.862 58.488 -2.626 1
1 1043 . 4 1 1 A 106 106 GLU CB C 106 30.289 29.657 0.632 1
1 1044 . 4 1 1 A 106 106 GLU N N 106 121.004 127.374 -6.370 1
1 1045 . 4 1 1 A 107 107 HIS H H 107 8.128 7.966 0.162 1
1 1046 . 4 1 1 A 107 107 HIS CA C 107 57.258 55.920 1.338 1
1 1047 . 4 1 1 A 107 107 HIS CB C 107 30.252 33.072 -2.820 1
1 1 . 5 1 1 A 6 6 PRO HA H 6 4.310 4.032 0.278 1
1 8 . 5 1 1 A 6 6 PRO C C 6 177.583 177.155 0.428 1
1 9 . 5 1 1 A 6 6 PRO CA C 6 65.455 63.851 1.604 1
1 10 . 5 1 1 A 6 6 PRO CB C 6 31.231 32.494 -1.263 1
1 13 . 5 1 1 A 7 7 GLU H H 7 8.058 8.445 -0.387 1
1 14 . 5 1 1 A 7 7 GLU HA H 7 4.314 4.018 0.296 1
1 15 . 5 1 1 A 7 7 GLU C C 7 178.814 179.174 -0.360 1
1 16 . 5 1 1 A 7 7 GLU CA C 7 58.577 58.886 -0.309 1
1 17 . 5 1 1 A 7 7 GLU CB C 7 29.806 28.578 1.228 1
1 18 . 5 1 1 A 7 7 GLU N N 7 116.393 119.360 -2.967 1
1 19 . 5 1 1 A 8 8 GLU H H 8 7.458 7.825 -0.367 1
1 20 . 5 1 1 A 8 8 GLU HA H 8 4.029 4.068 -0.039 1
1 21 . 5 1 1 A 8 8 GLU C C 8 179.794 178.820 0.974 1
1 22 . 5 1 1 A 8 8 GLU CA C 8 59.369 59.143 0.226 1
1 23 . 5 1 1 A 8 8 GLU CB C 8 29.455 28.996 0.459 1
1 24 . 5 1 1 A 8 8 GLU N N 8 117.887 120.214 -2.327 1
1 25 . 5 1 1 A 9 9 TYR H H 9 6.889 7.296 -0.407 1
1 26 . 5 1 1 A 9 9 TYR HA H 9 4.301 4.256 0.045 1
1 33 . 5 1 1 A 9 9 TYR C C 9 177.756 178.320 -0.564 1
1 34 . 5 1 1 A 9 9 TYR CA C 9 60.754 60.400 0.354 1
1 35 . 5 1 1 A 9 9 TYR CB C 9 37.319 37.653 -0.334 1
1 36 . 5 1 1 A 9 9 TYR N N 9 117.876 120.077 -2.201 1
1 37 . 5 1 1 A 10 10 TYR H H 10 8.138 8.433 -0.295 1
1 38 . 5 1 1 A 10 10 TYR HA H 10 4.018 4.432 -0.414 1
1 45 . 5 1 1 A 10 10 TYR C C 10 176.231 177.494 -1.263 1
1 46 . 5 1 1 A 10 10 TYR CA C 10 62.031 60.070 1.961 1
1 47 . 5 1 1 A 10 10 TYR CB C 10 38.951 37.097 1.854 1
1 48 . 5 1 1 A 10 10 TYR N N 10 118.874 119.981 -1.107 1
1 49 . 5 1 1 A 11 11 LEU H H 11 8.597 7.745 0.852 1
1 50 . 5 1 1 A 11 11 LEU HA H 11 3.797 3.522 0.275 1
1 60 . 5 1 1 A 11 11 LEU C C 11 180.257 178.075 2.182 1
1 61 . 5 1 1 A 11 11 LEU CA C 11 58.295 57.544 0.751 1
1 62 . 5 1 1 A 11 11 LEU CB C 11 41.541 41.400 0.141 1
1 66 . 5 1 1 A 11 11 LEU N N 11 119.267 119.357 -0.090 1
1 67 . 5 1 1 A 12 12 GLU H H 12 7.640 8.418 -0.778 1
1 68 . 5 1 1 A 12 12 GLU HA H 12 4.033 4.018 0.015 1
1 69 . 5 1 1 A 12 12 GLU C C 12 179.050 179.247 -0.197 1
1 70 . 5 1 1 A 12 12 GLU CA C 12 59.137 59.022 0.115 1
1 71 . 5 1 1 A 12 12 GLU CB C 12 29.351 29.368 -0.017 1
1 72 . 5 1 1 A 12 12 GLU N N 12 119.459 121.016 -1.557 1
1 73 . 5 1 1 A 13 13 GLY H H 13 8.624 8.623 0.001 1
1 74 . 5 1 1 A 13 13 GLY HA2 H 13 3.083 3.711 -0.628 1
1 75 . 5 1 1 A 13 13 GLY HA3 H 13 2.863 3.767 -0.904 1
1 76 . 5 1 1 A 13 13 GLY C C 13 175.651 176.115 -0.464 1
1 77 . 5 1 1 A 13 13 GLY CA C 13 48.592 47.233 1.359 1
1 78 . 5 1 1 A 13 13 GLY N N 13 110.175 109.866 0.309 1
1 79 . 5 1 1 A 14 14 VAL H H 14 8.757 7.474 1.283 1
1 80 . 5 1 1 A 14 14 VAL HA H 14 3.532 3.677 -0.145 1
1 88 . 5 1 1 A 14 14 VAL C C 14 177.103 177.425 -0.322 1
1 89 . 5 1 1 A 14 14 VAL CA C 14 67.661 65.658 2.003 1
1 90 . 5 1 1 A 14 14 VAL CB C 14 31.430 31.570 -0.140 1
1 93 . 5 1 1 A 14 14 VAL N N 14 124.361 121.675 2.686 1
1 94 . 5 1 1 A 15 15 LEU H H 15 7.555 7.719 -0.164 1
1 95 . 5 1 1 A 15 15 LEU HA H 15 4.089 3.852 0.237 1
1 105 . 5 1 1 A 15 15 LEU C C 15 181.353 178.578 2.775 1
1 106 . 5 1 1 A 15 15 LEU CA C 15 58.775 57.938 0.837 1
1 107 . 5 1 1 A 15 15 LEU CB C 15 39.871 41.557 -1.686 1
1 111 . 5 1 1 A 15 15 LEU N N 15 119.975 119.557 0.418 1
1 112 . 5 1 1 A 16 16 GLN H H 16 7.878 7.811 0.067 1
1 113 . 5 1 1 A 16 16 GLN C C 16 177.675 177.866 -0.191 1
1 114 . 5 1 1 A 16 16 GLN CA C 16 58.023 58.883 -0.860 1
1 115 . 5 1 1 A 16 16 GLN CB C 16 27.162 28.092 -0.930 1
1 116 . 5 1 1 A 16 16 GLN N N 16 117.171 116.915 0.256 1
1 117 . 5 1 1 A 17 17 TYR H H 17 9.044 8.000 1.044 1
1 118 . 5 1 1 A 17 17 TYR HA H 17 3.637 4.136 -0.499 1
1 125 . 5 1 1 A 17 17 TYR C C 17 179.591 176.728 2.863 1
1 126 . 5 1 1 A 17 17 TYR CA C 17 62.233 61.864 0.369 1
1 127 . 5 1 1 A 17 17 TYR CB C 17 38.759 38.537 0.222 1
1 128 . 5 1 1 A 17 17 TYR N N 17 124.139 121.059 3.080 1
1 129 . 5 1 1 A 18 18 ASP H H 18 9.408 8.915 0.493 1
1 130 . 5 1 1 A 18 18 ASP HA H 18 4.392 4.333 0.059 1
1 133 . 5 1 1 A 18 18 ASP C C 18 177.432 177.468 -0.036 1
1 134 . 5 1 1 A 18 18 ASP CA C 18 57.155 57.051 0.104 1
1 135 . 5 1 1 A 18 18 ASP CB C 18 39.901 41.224 -1.323 1
1 136 . 5 1 1 A 18 18 ASP N N 18 122.934 119.595 3.339 1
1 137 . 5 1 1 A 19 19 ALA H H 19 7.264 8.369 -1.105 1
1 138 . 5 1 1 A 19 19 ALA HA H 19 4.294 4.603 -0.309 1
1 142 . 5 1 1 A 19 19 ALA C C 19 177.336 177.085 0.251 1
1 143 . 5 1 1 A 19 19 ALA CA C 19 52.171 50.809 1.362 1
1 144 . 5 1 1 A 19 19 ALA CB C 19 18.870 19.409 -0.539 1
1 145 . 5 1 1 A 19 19 ALA N N 19 119.827 120.814 -0.987 1
1 146 . 5 1 1 A 20 20 GLY H H 20 7.667 8.399 -0.732 1
1 147 . 5 1 1 A 20 20 GLY HA2 H 20 3.844 3.453 0.391 1
1 148 . 5 1 1 A 20 20 GLY HA3 H 20 2.653 3.932 -1.279 1
1 149 . 5 1 1 A 20 20 GLY C C 20 173.498 174.188 -0.690 1
1 150 . 5 1 1 A 20 20 GLY CA C 20 44.003 45.275 -1.272 1
1 151 . 5 1 1 A 20 20 GLY N N 20 106.574 106.531 0.043 1
1 152 . 5 1 1 A 21 21 ASN H H 21 7.998 7.905 0.093 1
1 153 . 5 1 1 A 21 21 ASN HA H 21 4.884 4.375 0.509 1
1 156 . 5 1 1 A 21 21 ASN C C 21 175.654 174.604 1.050 1
1 157 . 5 1 1 A 21 21 ASN CA C 21 50.397 54.357 -3.960 1
1 158 . 5 1 1 A 21 21 ASN CB C 21 35.866 36.408 -0.542 1
1 159 . 5 1 1 A 21 21 ASN N N 21 121.852 116.202 5.650 1
1 160 . 5 1 1 A 22 22 TYR H H 22 7.024 7.668 -0.644 1
1 161 . 5 1 1 A 22 22 TYR HA H 22 4.203 4.297 -0.094 1
1 166 . 5 1 1 A 22 22 TYR C C 22 179.639 178.323 1.316 1
1 167 . 5 1 1 A 22 22 TYR CA C 22 61.732 60.594 1.138 1
1 168 . 5 1 1 A 22 22 TYR CB C 22 37.840 38.282 -0.442 1
1 169 . 5 1 1 A 22 22 TYR N N 22 119.554 117.212 2.342 1
1 170 . 5 1 1 A 23 23 THR H H 23 9.025 8.261 0.764 1
1 171 . 5 1 1 A 23 23 THR HA H 23 3.742 4.131 -0.389 1
1 176 . 5 1 1 A 23 23 THR C C 23 176.384 176.476 -0.092 1
1 177 . 5 1 1 A 23 23 THR CA C 23 67.528 67.505 0.023 1
1 178 . 5 1 1 A 23 23 THR CB C 23 67.962 68.307 -0.345 1
1 180 . 5 1 1 A 23 23 THR N N 23 117.377 115.253 2.124 1
1 181 . 5 1 1 A 24 24 GLU H H 24 8.762 8.074 0.688 1
1 182 . 5 1 1 A 24 24 GLU HA H 24 3.959 3.907 0.052 1
1 183 . 5 1 1 A 24 24 GLU C C 24 179.843 179.480 0.363 1
1 184 . 5 1 1 A 24 24 GLU CA C 24 60.243 59.721 0.522 1
1 185 . 5 1 1 A 24 24 GLU CB C 24 28.510 29.444 -0.934 1
1 186 . 5 1 1 A 24 24 GLU N N 24 123.212 120.438 2.774 1
1 187 . 5 1 1 A 25 25 SER H H 25 8.152 8.693 -0.541 1
1 188 . 5 1 1 A 25 25 SER HA H 25 4.057 4.275 -0.218 1
1 190 . 5 1 1 A 25 25 SER C C 25 174.017 177.351 -3.334 1
1 191 . 5 1 1 A 25 25 SER CA C 25 62.319 61.606 0.713 1
1 192 . 5 1 1 A 25 25 SER CB C 25 62.345 62.624 -0.279 1
1 193 . 5 1 1 A 25 25 SER N N 25 115.914 114.200 1.714 1
1 194 . 5 1 1 A 26 26 ILE H H 26 7.593 7.638 -0.045 1
1 195 . 5 1 1 A 26 26 ILE HA H 26 3.560 3.792 -0.232 1
1 204 . 5 1 1 A 26 26 ILE C C 26 176.788 178.339 -1.551 1
1 205 . 5 1 1 A 26 26 ILE CA C 26 66.713 65.213 1.500 1
1 206 . 5 1 1 A 26 26 ILE CB C 26 36.519 37.317 -0.798 1
1 210 . 5 1 1 A 26 26 ILE N N 26 122.676 123.209 -0.533 1
1 211 . 5 1 1 A 27 27 ASP H H 27 6.944 8.508 -1.564 1
1 212 . 5 1 1 A 27 27 ASP HA H 27 4.239 4.360 -0.121 1
1 214 . 5 1 1 A 27 27 ASP C C 27 178.538 178.579 -0.041 1
1 215 . 5 1 1 A 27 27 ASP CA C 27 57.449 57.734 -0.285 1
1 216 . 5 1 1 A 27 27 ASP CB C 27 40.758 41.312 -0.554 1
1 217 . 5 1 1 A 27 27 ASP N N 27 118.062 121.817 -3.755 1
1 218 . 5 1 1 A 28 28 LEU H H 28 6.971 8.334 -1.363 1
1 219 . 5 1 1 A 28 28 LEU HA H 28 3.776 3.742 0.034 1
1 229 . 5 1 1 A 28 28 LEU C C 28 178.716 179.084 -0.368 1
1 230 . 5 1 1 A 28 28 LEU CA C 28 58.135 57.937 0.198 1
1 231 . 5 1 1 A 28 28 LEU CB C 28 40.491 41.897 -1.406 1
1 235 . 5 1 1 A 28 28 LEU N N 28 120.290 120.245 0.045 1
1 236 . 5 1 1 A 29 29 PHE H H 29 8.520 8.827 -0.307 1
1 237 . 5 1 1 A 29 29 PHE HA H 29 4.324 3.975 0.349 1
1 240 . 5 1 1 A 29 29 PHE C C 29 178.284 177.517 0.767 1
1 241 . 5 1 1 A 29 29 PHE CA C 29 59.548 61.596 -2.048 1
1 242 . 5 1 1 A 29 29 PHE CB C 29 37.576 39.240 -1.664 1
1 243 . 5 1 1 A 29 29 PHE N N 29 118.434 118.593 -0.159 1
1 244 . 5 1 1 A 30 30 GLU H H 30 8.779 8.618 0.161 1
1 245 . 5 1 1 A 30 30 GLU HA H 30 3.795 4.027 -0.232 1
1 246 . 5 1 1 A 30 30 GLU C C 30 178.966 178.785 0.181 1
1 247 . 5 1 1 A 30 30 GLU CA C 30 59.452 59.953 -0.501 1
1 248 . 5 1 1 A 30 30 GLU CB C 30 29.049 29.163 -0.114 1
1 249 . 5 1 1 A 30 30 GLU N N 30 117.548 118.637 -1.089 1
1 250 . 5 1 1 A 31 31 LYS H H 31 7.318 7.643 -0.325 1
1 251 . 5 1 1 A 31 31 LYS HA H 31 3.668 3.951 -0.283 1
1 259 . 5 1 1 A 31 31 LYS C C 31 178.665 178.727 -0.062 1
1 260 . 5 1 1 A 31 31 LYS CA C 31 59.401 59.215 0.186 1
1 261 . 5 1 1 A 31 31 LYS CB C 31 31.113 32.047 -0.934 1
1 264 . 5 1 1 A 31 31 LYS N N 31 120.410 119.426 0.984 1
1 265 . 5 1 1 A 32 32 ALA H H 32 7.311 8.027 -0.716 1
1 266 . 5 1 1 A 32 32 ALA HA H 32 3.859 4.096 -0.237 1
1 270 . 5 1 1 A 32 32 ALA C C 32 178.384 179.838 -1.454 1
1 271 . 5 1 1 A 32 32 ALA CA C 32 54.697 55.041 -0.344 1
1 272 . 5 1 1 A 32 32 ALA CB C 32 15.999 18.516 -2.517 1
1 273 . 5 1 1 A 32 32 ALA N N 32 121.277 121.841 -0.564 1
1 274 . 5 1 1 A 33 33 ILE H H 33 8.114 7.854 0.260 1
1 275 . 5 1 1 A 33 33 ILE HA H 33 3.469 3.431 0.038 1
1 285 . 5 1 1 A 33 33 ILE C C 33 176.970 177.919 -0.949 1
1 286 . 5 1 1 A 33 33 ILE CA C 33 64.857 65.127 -0.270 1
1 287 . 5 1 1 A 33 33 ILE CB C 33 38.669 37.457 1.212 1
1 291 . 5 1 1 A 33 33 ILE N N 33 118.905 117.671 1.234 1
1 292 . 5 1 1 A 34 34 GLN H H 34 7.790 7.848 -0.058 1
1 293 . 5 1 1 A 34 34 GLN HA H 34 3.853 4.128 -0.275 1
1 296 . 5 1 1 A 34 34 GLN C C 34 178.320 179.218 -0.898 1
1 297 . 5 1 1 A 34 34 GLN CA C 34 57.696 58.623 -0.927 1
1 298 . 5 1 1 A 34 34 GLN CB C 34 28.457 28.126 0.331 1
1 299 . 5 1 1 A 34 34 GLN N N 34 115.405 118.282 -2.877 1
1 300 . 5 1 1 A 35 35 LEU H H 35 7.092 7.442 -0.350 1
1 301 . 5 1 1 A 35 35 LEU HA H 35 4.354 4.196 0.158 1
1 311 . 5 1 1 A 35 35 LEU C C 35 177.841 177.116 0.725 1
1 312 . 5 1 1 A 35 35 LEU CA C 35 56.273 56.626 -0.353 1
1 313 . 5 1 1 A 35 35 LEU CB C 35 43.490 43.144 0.346 1
1 317 . 5 1 1 A 35 35 LEU N N 35 116.678 119.218 -2.540 1
1 318 . 5 1 1 A 36 36 ASP H H 36 8.367 8.127 0.240 1
1 319 . 5 1 1 A 36 36 ASP CA C 36 52.138 51.539 0.599 1
1 320 . 5 1 1 A 36 36 ASP CB C 36 41.549 41.218 0.331 1
1 321 . 5 1 1 A 36 36 ASP N N 36 117.682 116.739 0.943 1
1 322 . 5 1 1 A 37 37 PRO HA H 37 4.940 4.458 0.482 1
1 329 . 5 1 1 A 37 37 PRO C C 37 178.088 177.563 0.525 1
1 330 . 5 1 1 A 37 37 PRO CA C 37 64.272 63.961 0.311 1
1 331 . 5 1 1 A 37 37 PRO CB C 37 32.155 32.608 -0.453 1
1 334 . 5 1 1 A 38 38 GLU H H 38 7.853 8.069 -0.216 1
1 335 . 5 1 1 A 38 38 GLU HA H 38 4.436 4.387 0.049 1
1 337 . 5 1 1 A 38 38 GLU C C 38 174.874 176.991 -2.117 1
1 338 . 5 1 1 A 38 38 GLU CA C 38 56.200 58.517 -2.317 1
1 339 . 5 1 1 A 38 38 GLU CB C 38 29.589 29.417 0.172 1
1 340 . 5 1 1 A 38 38 GLU N N 38 116.933 118.130 -1.197 1
1 341 . 5 1 1 A 39 39 GLU H H 39 6.992 7.493 -0.501 1
1 342 . 5 1 1 A 39 39 GLU HA H 39 4.313 4.496 -0.183 1
1 343 . 5 1 1 A 39 39 GLU C C 39 176.082 176.840 -0.758 1
1 344 . 5 1 1 A 39 39 GLU CA C 39 54.591 56.052 -1.461 1
1 345 . 5 1 1 A 39 39 GLU CB C 39 29.177 29.518 -0.341 1
1 346 . 5 1 1 A 39 39 GLU N N 39 119.900 120.531 -0.631 1
1 347 . 5 1 1 A 40 40 SER H H 40 8.458 9.164 -0.706 1
1 348 . 5 1 1 A 40 40 SER HA H 40 4.103 4.480 -0.377 1
1 350 . 5 1 1 A 40 40 SER C C 40 176.323 177.157 -0.834 1
1 351 . 5 1 1 A 40 40 SER CA C 40 61.929 61.630 0.299 1
1 352 . 5 1 1 A 40 40 SER CB C 40 63.232 63.070 0.162 1
1 353 . 5 1 1 A 40 40 SER N N 40 125.619 121.507 4.112 1
1 354 . 5 1 1 A 41 41 LYS H H 41 9.248 8.037 1.211 1
1 355 . 5 1 1 A 41 41 LYS HA H 41 4.068 4.320 -0.252 1
1 358 . 5 1 1 A 41 41 LYS C C 41 177.520 179.580 -2.060 1
1 359 . 5 1 1 A 41 41 LYS CA C 41 59.259 58.991 0.268 1
1 360 . 5 1 1 A 41 41 LYS CB C 41 31.161 32.440 -1.279 1
1 361 . 5 1 1 A 41 41 LYS N N 41 119.120 121.142 -2.022 1
1 362 . 5 1 1 A 42 42 TYR H H 42 6.924 8.388 -1.464 1
1 363 . 5 1 1 A 42 42 TYR HA H 42 4.301 4.421 -0.120 1
1 368 . 5 1 1 A 42 42 TYR C C 42 177.269 178.238 -0.969 1
1 369 . 5 1 1 A 42 42 TYR CA C 42 57.603 60.471 -2.868 1
1 370 . 5 1 1 A 42 42 TYR CB C 42 37.063 38.094 -1.031 1
1 371 . 5 1 1 A 42 42 TYR N N 42 118.666 119.364 -0.698 1
1 372 . 5 1 1 A 43 43 TRP H H 43 6.662 8.139 -1.477 1
1 373 . 5 1 1 A 43 43 TRP HA H 43 3.910 4.605 -0.695 1
1 378 . 5 1 1 A 43 43 TRP C C 43 178.823 178.863 -0.040 1
1 379 . 5 1 1 A 43 43 TRP CA C 43 59.953 60.179 -0.226 1
1 380 . 5 1 1 A 43 43 TRP CB C 43 30.759 29.571 1.188 1
1 381 . 5 1 1 A 43 43 TRP N N 43 118.990 120.370 -1.380 1
1 383 . 5 1 1 A 44 44 LEU H H 44 8.412 8.508 -0.096 1
1 384 . 5 1 1 A 44 44 LEU HA H 44 4.112 4.125 -0.013 1
1 394 . 5 1 1 A 44 44 LEU C C 44 177.758 178.740 -0.982 1
1 395 . 5 1 1 A 44 44 LEU CA C 44 58.613 58.236 0.377 1
1 396 . 5 1 1 A 44 44 LEU CB C 44 42.004 41.228 0.776 1
1 400 . 5 1 1 A 44 44 LEU N N 44 118.970 121.915 -2.945 1
1 401 . 5 1 1 A 45 45 MET H H 45 7.403 8.478 -1.075 1
1 402 . 5 1 1 A 45 45 MET HA H 45 4.270 4.040 0.230 1
1 403 . 5 1 1 A 45 45 MET C C 45 177.749 177.867 -0.118 1
1 404 . 5 1 1 A 45 45 MET CA C 45 55.159 58.554 -3.395 1
1 405 . 5 1 1 A 45 45 MET CB C 45 26.925 31.743 -4.818 1
1 406 . 5 1 1 A 45 45 MET N N 45 113.618 119.480 -5.862 1
1 407 . 5 1 1 A 46 46 LYS H H 46 7.623 8.173 -0.550 1
1 408 . 5 1 1 A 46 46 LYS HA H 46 3.906 3.759 0.147 1
1 409 . 5 1 1 A 46 46 LYS C C 46 178.056 179.403 -1.347 1
1 410 . 5 1 1 A 46 46 LYS CA C 46 61.394 59.877 1.517 1
1 411 . 5 1 1 A 46 46 LYS CB C 46 32.442 32.176 0.266 1
1 412 . 5 1 1 A 46 46 LYS N N 46 119.840 119.280 0.560 1
1 413 . 5 1 1 A 47 47 GLY H H 47 8.495 8.217 0.278 1
1 414 . 5 1 1 A 47 47 GLY HA2 H 47 3.730 3.838 -0.108 1
1 415 . 5 1 1 A 47 47 GLY HA3 H 47 3.612 3.847 -0.235 1
1 416 . 5 1 1 A 47 47 GLY C C 47 175.340 175.685 -0.345 1
1 417 . 5 1 1 A 47 47 GLY CA C 47 47.689 47.504 0.185 1
1 418 . 5 1 1 A 47 47 GLY N N 47 105.741 107.324 -1.583 1
1 419 . 5 1 1 A 48 48 LYS H H 48 8.760 7.723 1.037 1
1 420 . 5 1 1 A 48 48 LYS HA H 48 3.969 4.116 -0.147 1
1 428 . 5 1 1 A 48 48 LYS C C 48 180.425 178.936 1.489 1
1 429 . 5 1 1 A 48 48 LYS CA C 48 60.506 59.812 0.694 1
1 430 . 5 1 1 A 48 48 LYS CB C 48 30.964 32.228 -1.264 1
1 433 . 5 1 1 A 48 48 LYS N N 48 122.568 121.778 0.790 1
1 434 . 5 1 1 A 49 49 ALA H H 49 8.668 7.848 0.820 1
1 435 . 5 1 1 A 49 49 ALA HA H 49 4.084 4.052 0.032 1
1 439 . 5 1 1 A 49 49 ALA C C 49 178.870 180.091 -1.221 1
1 440 . 5 1 1 A 49 49 ALA CA C 49 55.777 55.139 0.638 1
1 441 . 5 1 1 A 49 49 ALA CB C 49 17.702 18.724 -1.022 1
1 442 . 5 1 1 A 49 49 ALA N N 49 124.484 121.850 2.634 1
1 443 . 5 1 1 A 50 50 LEU H H 50 8.192 8.430 -0.238 1
1 444 . 5 1 1 A 50 50 LEU HA H 50 3.771 3.912 -0.141 1
1 454 . 5 1 1 A 50 50 LEU C C 50 179.839 178.722 1.117 1
1 455 . 5 1 1 A 50 50 LEU CA C 50 58.727 57.779 0.948 1
1 456 . 5 1 1 A 50 50 LEU CB C 50 40.549 41.811 -1.262 1
1 460 . 5 1 1 A 50 50 LEU N N 50 118.843 118.137 0.706 1
1 461 . 5 1 1 A 51 51 TYR H H 51 9.282 8.772 0.510 1
1 462 . 5 1 1 A 51 51 TYR HA H 51 3.557 3.824 -0.267 1
1 469 . 5 1 1 A 51 51 TYR C C 51 179.177 177.821 1.356 1
1 470 . 5 1 1 A 51 51 TYR CA C 51 61.878 61.985 -0.107 1
1 471 . 5 1 1 A 51 51 TYR CB C 51 38.249 38.696 -0.447 1
1 472 . 5 1 1 A 51 51 TYR N N 51 122.719 119.441 3.278 1
1 473 . 5 1 1 A 52 52 ASN H H 52 7.882 8.608 -0.726 1
1 474 . 5 1 1 A 52 52 ASN HA H 52 4.084 3.896 0.188 1
1 477 . 5 1 1 A 52 52 ASN C C 52 175.615 177.033 -1.418 1
1 478 . 5 1 1 A 52 52 ASN CA C 52 55.964 56.220 -0.256 1
1 479 . 5 1 1 A 52 52 ASN CB C 52 37.219 37.765 -0.546 1
1 480 . 5 1 1 A 52 52 ASN N N 52 120.327 117.723 2.604 1
1 481 . 5 1 1 A 53 53 LEU H H 53 7.178 7.484 -0.306 1
1 482 . 5 1 1 A 53 53 LEU HA H 53 4.299 4.092 0.207 1
1 492 . 5 1 1 A 53 53 LEU C C 53 175.095 175.641 -0.546 1
1 493 . 5 1 1 A 53 53 LEU CA C 53 54.112 54.706 -0.594 1
1 494 . 5 1 1 A 53 53 LEU CB C 53 42.548 41.739 0.809 1
1 498 . 5 1 1 A 53 53 LEU N N 53 119.827 117.317 2.510 1
1 499 . 5 1 1 A 54 54 GLU H H 54 7.515 7.704 -0.189 1
1 500 . 5 1 1 A 54 54 GLU C C 54 175.118 175.234 -0.116 1
1 501 . 5 1 1 A 54 54 GLU CA C 54 56.811 57.111 -0.300 1
1 502 . 5 1 1 A 54 54 GLU CB C 54 25.944 26.525 -0.581 1
1 503 . 5 1 1 A 54 54 GLU N N 54 112.799 115.418 -2.619 1
1 504 . 5 1 1 A 55 55 ARG H H 55 7.719 8.002 -0.283 1
1 505 . 5 1 1 A 55 55 ARG HA H 55 4.407 4.462 -0.055 1
1 512 . 5 1 1 A 55 55 ARG C C 55 176.820 176.093 0.727 1
1 513 . 5 1 1 A 55 55 ARG CA C 55 54.493 53.721 0.772 1
1 514 . 5 1 1 A 55 55 ARG CB C 55 29.041 28.611 0.430 1
1 517 . 5 1 1 A 55 55 ARG N N 55 122.369 119.570 2.799 1
1 518 . 5 1 1 A 56 56 TYR H H 56 6.403 7.304 -0.901 1
1 519 . 5 1 1 A 56 56 TYR HA H 56 3.879 4.211 -0.332 1
1 526 . 5 1 1 A 56 56 TYR C C 56 177.879 178.272 -0.393 1
1 527 . 5 1 1 A 56 56 TYR CA C 56 62.080 61.216 0.864 1
1 528 . 5 1 1 A 56 56 TYR CB C 56 38.443 38.055 0.388 1
1 529 . 5 1 1 A 56 56 TYR N N 56 117.128 120.545 -3.417 1
1 530 . 5 1 1 A 57 57 GLU H H 57 9.032 8.512 0.520 1
1 531 . 5 1 1 A 57 57 GLU HA H 57 3.865 4.137 -0.272 1
1 532 . 5 1 1 A 57 57 GLU C C 57 179.417 178.869 0.548 1
1 533 . 5 1 1 A 57 57 GLU CA C 57 60.722 59.397 1.325 1
1 534 . 5 1 1 A 57 57 GLU CB C 57 29.124 29.409 -0.285 1
1 535 . 5 1 1 A 57 57 GLU N N 57 118.981 117.971 1.010 1
1 536 . 5 1 1 A 58 58 GLU H H 58 8.286 8.072 0.214 1
1 537 . 5 1 1 A 58 58 GLU HA H 58 4.050 4.015 0.035 1
1 538 . 5 1 1 A 58 58 GLU C C 58 179.476 179.147 0.329 1
1 539 . 5 1 1 A 58 58 GLU CA C 58 59.289 59.430 -0.141 1
1 540 . 5 1 1 A 58 58 GLU CB C 58 31.234 29.398 1.836 1
1 541 . 5 1 1 A 58 58 GLU N N 58 119.123 120.044 -0.921 1
1 542 . 5 1 1 A 59 59 ALA H H 59 8.131 8.431 -0.300 1
1 543 . 5 1 1 A 59 59 ALA HA H 59 3.786 4.115 -0.329 1
1 547 . 5 1 1 A 59 59 ALA C C 59 178.281 179.813 -1.532 1
1 548 . 5 1 1 A 59 59 ALA CA C 59 56.324 55.239 1.085 1
1 549 . 5 1 1 A 59 59 ALA CB C 59 17.444 18.447 -1.003 1
1 550 . 5 1 1 A 59 59 ALA N N 59 124.009 122.923 1.086 1
1 551 . 5 1 1 A 60 60 VAL H H 60 8.079 8.265 -0.186 1
1 552 . 5 1 1 A 60 60 VAL HA H 60 3.439 3.464 -0.025 1
1 560 . 5 1 1 A 60 60 VAL C C 60 177.323 177.673 -0.350 1
1 561 . 5 1 1 A 60 60 VAL CA C 60 67.410 66.762 0.648 1
1 562 . 5 1 1 A 60 60 VAL CB C 60 31.259 31.356 -0.097 1
1 565 . 5 1 1 A 60 60 VAL N N 60 116.647 118.437 -1.790 1
1 566 . 5 1 1 A 61 61 ASP H H 61 7.737 8.188 -0.451 1
1 567 . 5 1 1 A 61 61 ASP HA H 61 4.446 4.363 0.083 1
1 570 . 5 1 1 A 61 61 ASP C C 61 179.986 178.241 1.745 1
1 571 . 5 1 1 A 61 61 ASP CA C 61 58.123 57.791 0.332 1
1 572 . 5 1 1 A 61 61 ASP CB C 61 40.160 42.378 -2.218 1
1 573 . 5 1 1 A 61 61 ASP N N 61 119.276 120.037 -0.761 1
1 574 . 5 1 1 A 62 62 CYS H H 62 7.387 7.890 -0.503 1
1 575 . 5 1 1 A 62 62 CYS HA H 62 4.337 4.041 0.296 1
1 578 . 5 1 1 A 62 62 CYS C C 62 176.276 176.390 -0.114 1
1 579 . 5 1 1 A 62 62 CYS CA C 62 63.585 62.512 1.073 1
1 580 . 5 1 1 A 62 62 CYS CB C 62 26.441 26.694 -0.253 1
1 581 . 5 1 1 A 62 62 CYS N N 62 118.794 119.018 -0.224 1
1 582 . 5 1 1 A 63 63 TYR H H 63 7.391 8.390 -0.999 1
1 583 . 5 1 1 A 63 63 TYR HA H 63 4.249 4.046 0.203 1
1 588 . 5 1 1 A 63 63 TYR C C 63 178.113 177.623 0.490 1
1 589 . 5 1 1 A 63 63 TYR CA C 63 57.994 61.613 -3.619 1
1 590 . 5 1 1 A 63 63 TYR CB C 63 36.288 38.409 -2.121 1
1 591 . 5 1 1 A 63 63 TYR N N 63 119.775 121.998 -2.223 1
1 592 . 5 1 1 A 64 64 ASN H H 64 9.121 8.909 0.212 1
1 593 . 5 1 1 A 64 64 ASN HA H 64 4.328 4.101 0.227 1
1 596 . 5 1 1 A 64 64 ASN C C 64 177.346 176.904 0.442 1
1 597 . 5 1 1 A 64 64 ASN CA C 64 54.809 56.016 -1.207 1
1 598 . 5 1 1 A 64 64 ASN CB C 64 36.904 38.667 -1.763 1
1 599 . 5 1 1 A 64 64 ASN N N 64 117.343 117.574 -0.231 1
1 600 . 5 1 1 A 65 65 TYR H H 65 7.635 7.775 -0.140 1
1 601 . 5 1 1 A 65 65 TYR HA H 65 3.660 3.976 -0.316 1
1 608 . 5 1 1 A 65 65 TYR C C 65 178.599 176.840 1.759 1
1 609 . 5 1 1 A 65 65 TYR CA C 65 62.267 61.307 0.960 1
1 610 . 5 1 1 A 65 65 TYR CB C 65 37.886 38.429 -0.543 1
1 611 . 5 1 1 A 65 65 TYR N N 65 124.181 121.072 3.109 1
1 612 . 5 1 1 A 66 66 VAL H H 66 7.093 8.295 -1.202 1
1 613 . 5 1 1 A 66 66 VAL HA H 66 3.316 3.483 -0.167 1
1 621 . 5 1 1 A 66 66 VAL C C 66 177.070 178.008 -0.938 1
1 622 . 5 1 1 A 66 66 VAL CA C 66 65.944 66.211 -0.267 1
1 623 . 5 1 1 A 66 66 VAL CB C 66 31.613 31.631 -0.018 1
1 626 . 5 1 1 A 66 66 VAL N N 66 119.247 119.127 0.120 1
1 627 . 5 1 1 A 67 67 ILE H H 67 7.640 7.087 0.553 1
1 628 . 5 1 1 A 67 67 ILE HA H 67 3.056 3.971 -0.915 1
1 638 . 5 1 1 A 67 67 ILE C C 67 176.822 178.081 -1.259 1
1 639 . 5 1 1 A 67 67 ILE CA C 67 64.902 63.035 1.867 1
1 640 . 5 1 1 A 67 67 ILE CB C 67 39.444 37.649 1.795 1
1 644 . 5 1 1 A 67 67 ILE N N 67 117.814 120.174 -2.360 1
1 645 . 5 1 1 A 68 68 ASN H H 68 8.587 8.228 0.359 1
1 646 . 5 1 1 A 68 68 ASN HA H 68 4.564 4.370 0.194 1
1 649 . 5 1 1 A 68 68 ASN C C 68 176.007 176.939 -0.932 1
1 650 . 5 1 1 A 68 68 ASN CA C 68 54.569 55.615 -1.046 1
1 651 . 5 1 1 A 68 68 ASN CB C 68 39.424 38.670 0.754 1
1 652 . 5 1 1 A 68 68 ASN N N 68 112.692 120.694 -8.002 1
1 653 . 5 1 1 A 69 69 VAL H H 69 7.607 7.225 0.382 1
1 654 . 5 1 1 A 69 69 VAL HA H 69 3.813 3.690 0.123 1
1 661 . 5 1 1 A 69 69 VAL C C 69 177.490 175.075 2.415 1
1 662 . 5 1 1 A 69 69 VAL CA C 69 64.763 64.917 -0.154 1
1 663 . 5 1 1 A 69 69 VAL CB C 69 30.804 31.207 -0.403 1
1 666 . 5 1 1 A 69 69 VAL N N 69 119.569 117.395 2.174 1
1 667 . 5 1 1 A 70 70 ILE H H 70 7.489 7.780 -0.291 1
1 668 . 5 1 1 A 70 70 ILE HA H 70 3.635 4.368 -0.733 1
1 678 . 5 1 1 A 70 70 ILE C C 70 176.523 176.079 0.444 1
1 679 . 5 1 1 A 70 70 ILE CA C 70 64.090 60.052 4.038 1
1 680 . 5 1 1 A 70 70 ILE CB C 70 37.026 39.495 -2.469 1
1 684 . 5 1 1 A 70 70 ILE N N 70 119.276 118.976 0.300 1
1 685 . 5 1 1 A 71 71 GLU H H 71 6.641 8.836 -2.195 1
1 686 . 5 1 1 A 71 71 GLU HA H 71 3.865 4.210 -0.345 1
1 690 . 5 1 1 A 71 71 GLU C C 71 176.415 175.844 0.571 1
1 691 . 5 1 1 A 71 71 GLU CA C 71 57.229 56.880 0.349 1
1 692 . 5 1 1 A 71 71 GLU CB C 71 26.142 28.907 -2.765 1
1 694 . 5 1 1 A 71 71 GLU N N 71 110.179 124.655 -14.476 1
1 695 . 5 1 1 A 72 72 ASP H H 72 7.744 7.793 -0.049 1
1 696 . 5 1 1 A 72 72 ASP HA H 72 4.813 4.704 0.109 1
1 699 . 5 1 1 A 72 72 ASP C C 72 176.230 176.723 -0.493 1
1 700 . 5 1 1 A 72 72 ASP CA C 72 52.203 53.266 -1.063 1
1 701 . 5 1 1 A 72 72 ASP CB C 72 39.256 39.596 -0.340 1
1 702 . 5 1 1 A 72 72 ASP N N 72 121.733 122.450 -0.717 1
1 703 . 5 1 1 A 73 73 GLU H H 73 7.510 8.357 -0.847 1
1 704 . 5 1 1 A 73 73 GLU HA H 73 3.946 4.613 -0.667 1
1 709 . 5 1 1 A 73 73 GLU C C 73 176.745 176.777 -0.032 1
1 710 . 5 1 1 A 73 73 GLU CA C 73 58.303 56.523 1.780 1
1 711 . 5 1 1 A 73 73 GLU CB C 73 30.664 30.907 -0.243 1
1 713 . 5 1 1 A 73 73 GLU N N 73 116.724 125.384 -8.660 1
1 714 . 5 1 1 A 74 74 TYR H H 74 8.794 7.948 0.846 1
1 715 . 5 1 1 A 74 74 TYR HA H 74 4.875 4.543 0.332 1
1 722 . 5 1 1 A 74 74 TYR C C 74 174.879 175.853 -0.974 1
1 723 . 5 1 1 A 74 74 TYR CA C 74 56.732 59.128 -2.396 1
1 724 . 5 1 1 A 74 74 TYR CB C 74 37.069 38.318 -1.249 1
1 725 . 5 1 1 A 74 74 TYR N N 74 120.080 121.505 -1.425 1
1 726 . 5 1 1 A 75 75 ASN H H 75 7.237 7.825 -0.588 1
1 727 . 5 1 1 A 75 75 ASN HA H 75 4.601 4.974 -0.373 1
1 730 . 5 1 1 A 75 75 ASN C C 75 175.146 175.338 -0.192 1
1 731 . 5 1 1 A 75 75 ASN CA C 75 53.124 52.284 0.840 1
1 732 . 5 1 1 A 75 75 ASN CB C 75 37.755 38.655 -0.900 1
1 733 . 5 1 1 A 75 75 ASN N N 75 118.665 119.667 -1.002 1
1 734 . 5 1 1 A 76 76 LYS H H 76 8.672 8.648 0.024 1
1 735 . 5 1 1 A 76 76 LYS HA H 76 4.077 4.021 0.056 1
1 742 . 5 1 1 A 76 76 LYS C C 76 177.773 178.201 -0.428 1
1 743 . 5 1 1 A 76 76 LYS CA C 76 60.060 59.904 0.156 1
1 744 . 5 1 1 A 76 76 LYS CB C 76 37.827 32.379 5.448 1
1 748 . 5 1 1 A 76 76 LYS N N 76 127.868 126.193 1.675 1
1 749 . 5 1 1 A 77 77 ASP H H 77 7.946 8.237 -0.291 1
1 750 . 5 1 1 A 77 77 ASP HA H 77 4.414 4.493 -0.079 1
1 753 . 5 1 1 A 77 77 ASP C C 77 179.265 178.907 0.358 1
1 754 . 5 1 1 A 77 77 ASP CA C 77 57.127 57.247 -0.120 1
1 755 . 5 1 1 A 77 77 ASP CB C 77 40.634 40.606 0.028 1
1 756 . 5 1 1 A 77 77 ASP N N 77 117.883 119.625 -1.742 1
1 757 . 5 1 1 A 78 78 VAL H H 78 7.653 8.311 -0.658 1
1 758 . 5 1 1 A 78 78 VAL HA H 78 3.282 3.631 -0.349 1
1 766 . 5 1 1 A 78 78 VAL C C 78 176.624 178.319 -1.695 1
1 767 . 5 1 1 A 78 78 VAL CA C 78 65.531 66.678 -1.147 1
1 768 . 5 1 1 A 78 78 VAL CB C 78 31.290 31.726 -0.436 1
1 771 . 5 1 1 A 78 78 VAL N N 78 121.259 120.051 1.208 1
1 772 . 5 1 1 A 79 79 TRP H H 79 7.626 8.353 -0.727 1
1 773 . 5 1 1 A 79 79 TRP HA H 79 4.107 4.632 -0.525 1
1 778 . 5 1 1 A 79 79 TRP C C 79 177.932 178.804 -0.872 1
1 779 . 5 1 1 A 79 79 TRP CA C 79 61.491 59.954 1.537 1
1 780 . 5 1 1 A 79 79 TRP CB C 79 28.665 28.977 -0.312 1
1 781 . 5 1 1 A 79 79 TRP N N 79 120.388 120.365 0.023 1
1 783 . 5 1 1 A 80 80 ALA H H 80 8.296 8.883 -0.587 1
1 784 . 5 1 1 A 80 80 ALA HA H 80 3.898 3.913 -0.015 1
1 788 . 5 1 1 A 80 80 ALA C C 80 176.556 179.458 -2.902 1
1 789 . 5 1 1 A 80 80 ALA CA C 80 55.158 55.405 -0.247 1
1 790 . 5 1 1 A 80 80 ALA CB C 80 18.155 18.509 -0.354 1
1 791 . 5 1 1 A 80 80 ALA N N 80 120.453 121.541 -1.088 1
1 792 . 5 1 1 A 81 81 ALA H H 81 7.405 8.390 -0.985 1
1 793 . 5 1 1 A 81 81 ALA HA H 81 3.837 3.935 -0.098 1
1 797 . 5 1 1 A 81 81 ALA C C 81 180.646 178.837 1.809 1
1 798 . 5 1 1 A 81 81 ALA CA C 81 55.028 55.268 -0.240 1
1 799 . 5 1 1 A 81 81 ALA CB C 81 15.649 18.499 -2.850 1
1 800 . 5 1 1 A 81 81 ALA N N 81 120.915 120.139 0.776 1
1 801 . 5 1 1 A 82 82 LYS H H 82 8.244 7.852 0.392 1
1 802 . 5 1 1 A 82 82 LYS HA H 82 3.853 3.715 0.138 1
1 811 . 5 1 1 A 82 82 LYS C C 82 177.176 178.333 -1.157 1
1 812 . 5 1 1 A 82 82 LYS CA C 82 60.577 59.093 1.484 1
1 813 . 5 1 1 A 82 82 LYS CB C 82 32.243 31.823 0.420 1
1 816 . 5 1 1 A 82 82 LYS N N 82 121.979 118.283 3.696 1
1 817 . 5 1 1 A 83 83 ALA H H 83 8.422 7.785 0.637 1
1 818 . 5 1 1 A 83 83 ALA HA H 83 3.894 4.045 -0.151 1
1 822 . 5 1 1 A 83 83 ALA C C 83 178.746 179.928 -1.182 1
1 823 . 5 1 1 A 83 83 ALA CA C 83 56.268 55.184 1.084 1
1 824 . 5 1 1 A 83 83 ALA CB C 83 17.700 18.206 -0.506 1
1 825 . 5 1 1 A 83 83 ALA N N 83 121.419 121.867 -0.448 1
1 826 . 5 1 1 A 84 84 ASP H H 84 7.481 7.856 -0.375 1
1 827 . 5 1 1 A 84 84 ASP HA H 84 4.377 4.329 0.048 1
1 828 . 5 1 1 A 84 84 ASP C C 84 178.394 178.358 0.036 1
1 829 . 5 1 1 A 84 84 ASP CA C 84 56.946 56.855 0.091 1
1 830 . 5 1 1 A 84 84 ASP CB C 84 40.351 39.937 0.414 1
1 831 . 5 1 1 A 84 84 ASP N N 84 114.693 119.192 -4.499 1
1 832 . 5 1 1 A 85 85 ALA H H 85 7.680 7.050 0.630 1
1 833 . 5 1 1 A 85 85 ALA HA H 85 4.521 4.265 0.256 1
1 837 . 5 1 1 A 85 85 ALA C C 85 179.100 180.697 -1.597 1
1 838 . 5 1 1 A 85 85 ALA CA C 85 55.819 54.883 0.936 1
1 839 . 5 1 1 A 85 85 ALA CB C 85 19.257 18.304 0.953 1
1 840 . 5 1 1 A 85 85 ALA N N 85 119.105 122.393 -3.288 1
1 841 . 5 1 1 A 86 86 LEU H H 86 8.516 8.314 0.202 1
1 842 . 5 1 1 A 86 86 LEU HA H 86 3.919 4.006 -0.087 1
1 852 . 5 1 1 A 86 86 LEU C C 86 178.767 178.888 -0.121 1
1 853 . 5 1 1 A 86 86 LEU CA C 86 48.892 57.486 -8.594 1
1 854 . 5 1 1 A 86 86 LEU CB C 86 43.011 41.403 1.608 1
1 858 . 5 1 1 A 86 86 LEU N N 86 115.208 119.678 -4.470 1
1 859 . 5 1 1 A 87 87 ARG H H 87 7.329 8.496 -1.167 1
1 860 . 5 1 1 A 87 87 ARG HA H 87 3.851 3.919 -0.068 1
1 867 . 5 1 1 A 87 87 ARG C C 87 176.800 175.935 0.865 1
1 868 . 5 1 1 A 87 87 ARG CA C 87 58.315 58.078 0.237 1
1 869 . 5 1 1 A 87 87 ARG CB C 87 27.514 29.901 -2.387 1
1 872 . 5 1 1 A 87 87 ARG N N 87 115.227 119.398 -4.171 1
1 873 . 5 1 1 A 88 88 TYR H H 88 7.201 7.778 -0.577 1
1 874 . 5 1 1 A 88 88 TYR HA H 88 4.193 4.719 -0.526 1
1 881 . 5 1 1 A 88 88 TYR C C 88 174.958 173.591 1.367 1
1 882 . 5 1 1 A 88 88 TYR CA C 88 58.463 56.315 2.148 1
1 883 . 5 1 1 A 88 88 TYR CB C 88 38.457 38.094 0.363 1
1 884 . 5 1 1 A 88 88 TYR N N 88 115.558 116.420 -0.862 1
1 885 . 5 1 1 A 89 89 ILE H H 89 7.374 8.149 -0.775 1
1 886 . 5 1 1 A 89 89 ILE HA H 89 4.175 4.547 -0.372 1
1 895 . 5 1 1 A 89 89 ILE C C 89 174.900 174.463 0.437 1
1 896 . 5 1 1 A 89 89 ILE CA C 89 60.978 59.538 1.440 1
1 897 . 5 1 1 A 89 89 ILE CB C 89 38.945 41.897 -2.952 1
1 901 . 5 1 1 A 89 89 ILE N N 89 122.120 123.164 -1.044 1
1 902 . 5 1 1 A 90 90 GLU H H 90 8.655 8.527 0.128 1
1 903 . 5 1 1 A 90 90 GLU HA H 90 4.159 4.048 0.111 1
1 905 . 5 1 1 A 90 90 GLU CA C 90 57.914 57.247 0.667 1
1 906 . 5 1 1 A 90 90 GLU CB C 90 29.894 29.378 0.516 1
1 907 . 5 1 1 A 90 90 GLU N N 90 128.417 125.860 2.557 1
1 908 . 5 1 1 A 91 91 GLY H H 91 9.089 8.754 0.335 1
1 909 . 5 1 1 A 91 91 GLY HA2 H 91 4.293 3.877 0.416 1
1 910 . 5 1 1 A 91 91 GLY HA3 H 91 4.039 3.879 0.160 1
1 911 . 5 1 1 A 91 91 GLY CA C 91 45.756 46.708 -0.952 1
1 912 . 5 1 1 A 91 91 GLY N N 91 112.760 111.562 1.198 1
1 913 . 5 1 1 A 93 93 GLU C C 93 176.315 177.047 -0.732 1
1 914 . 5 1 1 A 94 94 VAL H H 94 8.288 7.838 0.450 1
1 915 . 5 1 1 A 94 94 VAL HA H 94 3.800 4.428 -0.628 1
1 920 . 5 1 1 A 94 94 VAL C C 94 178.292 176.827 1.465 1
1 921 . 5 1 1 A 94 94 VAL CA C 94 56.374 61.111 -4.737 1
1 922 . 5 1 1 A 94 94 VAL CB C 94 31.630 32.858 -1.228 1
1 923 . 5 1 1 A 94 94 VAL N N 94 119.837 114.951 4.886 1
1 924 . 5 1 1 A 95 95 GLU H H 95 8.207 7.988 0.219 1
1 925 . 5 1 1 A 95 95 GLU HA H 95 3.931 4.024 -0.093 1
1 927 . 5 1 1 A 95 95 GLU C C 95 179.514 178.737 0.777 1
1 928 . 5 1 1 A 95 95 GLU CA C 95 60.215 59.462 0.753 1
1 929 . 5 1 1 A 95 95 GLU CB C 95 29.419 29.420 -0.001 1
1 930 . 5 1 1 A 95 95 GLU N N 95 120.805 122.574 -1.769 1
1 931 . 5 1 1 A 96 96 ALA H H 96 8.839 8.239 0.600 1
1 932 . 5 1 1 A 96 96 ALA HA H 96 4.029 4.040 -0.011 1
1 936 . 5 1 1 A 96 96 ALA C C 96 179.047 179.476 -0.429 1
1 937 . 5 1 1 A 96 96 ALA CA C 96 54.866 54.691 0.175 1
1 938 . 5 1 1 A 96 96 ALA CB C 96 17.667 18.491 -0.824 1
1 939 . 5 1 1 A 96 96 ALA N N 96 123.226 122.023 1.203 1
1 940 . 5 1 1 A 97 97 GLU H H 97 7.763 7.996 -0.233 1
1 941 . 5 1 1 A 97 97 GLU HA H 97 4.055 4.062 -0.007 1
1 943 . 5 1 1 A 97 97 GLU C C 97 178.015 179.032 -1.017 1
1 944 . 5 1 1 A 97 97 GLU CA C 97 59.138 59.128 0.010 1
1 945 . 5 1 1 A 97 97 GLU CB C 97 29.588 29.478 0.110 1
1 946 . 5 1 1 A 97 97 GLU N N 97 118.606 118.678 -0.072 1
1 947 . 5 1 1 A 98 98 ILE H H 98 8.118 8.413 -0.295 1
1 948 . 5 1 1 A 98 98 ILE HA H 98 3.657 3.744 -0.087 1
1 958 . 5 1 1 A 98 98 ILE C C 98 178.015 178.043 -0.028 1
1 959 . 5 1 1 A 98 98 ILE CA C 98 64.831 65.539 -0.708 1
1 960 . 5 1 1 A 98 98 ILE CB C 98 38.402 38.076 0.326 1
1 964 . 5 1 1 A 98 98 ILE N N 98 122.339 119.824 2.515 1
1 965 . 5 1 1 A 99 99 ALA H H 99 8.117 8.754 -0.637 1
1 966 . 5 1 1 A 99 99 ALA HA H 99 4.210 4.103 0.107 1
1 970 . 5 1 1 A 99 99 ALA C C 99 178.762 179.040 -0.278 1
1 971 . 5 1 1 A 99 99 ALA CA C 99 55.360 55.677 -0.317 1
1 972 . 5 1 1 A 99 99 ALA CB C 99 17.499 18.315 -0.816 1
1 973 . 5 1 1 A 99 99 ALA N N 99 122.357 122.767 -0.410 1
1 974 . 5 1 1 A 100 100 GLU H H 100 8.345 8.541 -0.196 1
1 975 . 5 1 1 A 100 100 GLU HA H 100 3.787 4.037 -0.250 1
1 978 . 5 1 1 A 100 100 GLU C C 100 178.463 178.620 -0.157 1
1 979 . 5 1 1 A 100 100 GLU CA C 100 59.063 59.328 -0.265 1
1 980 . 5 1 1 A 100 100 GLU CB C 100 29.670 29.441 0.229 1
1 981 . 5 1 1 A 100 100 GLU N N 100 118.391 118.054 0.337 1
1 982 . 5 1 1 A 101 101 ALA H H 101 7.693 8.406 -0.713 1
1 983 . 5 1 1 A 101 101 ALA HA H 101 4.111 4.010 0.101 1
1 987 . 5 1 1 A 101 101 ALA C C 101 180.967 179.261 1.706 1
1 988 . 5 1 1 A 101 101 ALA CA C 101 54.383 55.318 -0.935 1
1 989 . 5 1 1 A 101 101 ALA CB C 101 18.097 18.108 -0.011 1
1 990 . 5 1 1 A 101 101 ALA N N 101 120.699 121.048 -0.349 1
1 991 . 5 1 1 A 102 102 ARG H H 102 7.959 8.895 -0.936 1
1 992 . 5 1 1 A 102 102 ARG HA H 102 3.705 3.962 -0.257 1
1 993 . 5 1 1 A 102 102 ARG C C 102 178.310 177.881 0.429 1
1 994 . 5 1 1 A 102 102 ARG CA C 102 57.696 59.161 -1.465 1
1 995 . 5 1 1 A 102 102 ARG CB C 102 28.404 30.010 -1.606 1
1 996 . 5 1 1 A 102 102 ARG N N 102 118.386 118.867 -0.481 1
1 997 . 5 1 1 A 103 103 ALA H H 103 7.896 8.824 -0.928 1
1 998 . 5 1 1 A 103 103 ALA HA H 103 4.108 4.041 0.067 1
1 1002 . 5 1 1 A 103 103 ALA C C 103 178.184 179.555 -1.371 1
1 1003 . 5 1 1 A 103 103 ALA CA C 103 54.210 54.950 -0.740 1
1 1004 . 5 1 1 A 103 103 ALA CB C 103 18.430 18.273 0.157 1
1 1005 . 5 1 1 A 103 103 ALA N N 103 120.630 122.405 -1.775 1
1 1006 . 5 1 1 A 104 104 LYS H H 104 7.337 7.718 -0.381 1
1 1007 . 5 1 1 A 104 104 LYS HA H 104 4.150 4.121 0.029 1
1 1013 . 5 1 1 A 104 104 LYS C C 104 177.211 177.599 -0.388 1
1 1014 . 5 1 1 A 104 104 LYS CA C 104 56.429 59.340 -2.911 1
1 1015 . 5 1 1 A 104 104 LYS CB C 104 32.810 32.198 0.612 1
1 1018 . 5 1 1 A 104 104 LYS N N 104 115.288 117.899 -2.611 1
1 1019 . 5 1 1 A 105 105 LEU H H 105 7.511 7.031 0.480 1
1 1020 . 5 1 1 A 105 105 LEU HA H 105 4.162 4.104 0.058 1
1 1030 . 5 1 1 A 105 105 LEU C C 105 177.260 175.954 1.306 1
1 1031 . 5 1 1 A 105 105 LEU CA C 105 56.227 54.971 1.256 1
1 1032 . 5 1 1 A 105 105 LEU CB C 105 42.365 42.048 0.317 1
1 1036 . 5 1 1 A 105 105 LEU N N 105 120.938 120.147 0.791 1
1 1037 . 5 1 1 A 106 106 GLU H H 106 8.283 8.551 -0.268 1
1 1038 . 5 1 1 A 106 106 GLU HA H 106 4.167 4.423 -0.256 1
1 1041 . 5 1 1 A 106 106 GLU C C 106 173.877 175.947 -2.070 1
1 1042 . 5 1 1 A 106 106 GLU CA C 106 55.862 57.791 -1.929 1
1 1043 . 5 1 1 A 106 106 GLU CB C 106 30.289 31.229 -0.940 1
1 1044 . 5 1 1 A 106 106 GLU N N 106 121.004 128.265 -7.261 1
1 1045 . 5 1 1 A 107 107 HIS H H 107 8.128 7.753 0.375 1
1 1046 . 5 1 1 A 107 107 HIS CA C 107 57.258 55.520 1.738 1
1 1047 . 5 1 1 A 107 107 HIS CB C 107 30.252 31.017 -0.765 1
1 1 . 6 1 1 A 6 6 PRO HA H 6 4.310 4.538 -0.228 1
1 8 . 6 1 1 A 6 6 PRO C C 6 177.583 177.468 0.115 1
1 9 . 6 1 1 A 6 6 PRO CA C 6 65.455 66.177 -0.722 1
1 10 . 6 1 1 A 6 6 PRO CB C 6 31.231 31.292 -0.061 1
1 13 . 6 1 1 A 7 7 GLU H H 7 8.058 8.162 -0.104 1
1 14 . 6 1 1 A 7 7 GLU HA H 7 4.314 4.072 0.242 1
1 15 . 6 1 1 A 7 7 GLU C C 7 178.814 177.408 1.406 1
1 16 . 6 1 1 A 7 7 GLU CA C 7 58.577 59.059 -0.482 1
1 17 . 6 1 1 A 7 7 GLU CB C 7 29.806 27.453 2.353 1
1 18 . 6 1 1 A 7 7 GLU N N 7 116.393 116.983 -0.590 1
1 19 . 6 1 1 A 8 8 GLU H H 8 7.458 9.260 -1.802 1
1 20 . 6 1 1 A 8 8 GLU HA H 8 4.029 4.346 -0.317 1
1 21 . 6 1 1 A 8 8 GLU C C 8 179.794 178.889 0.905 1
1 22 . 6 1 1 A 8 8 GLU CA C 8 59.369 59.157 0.212 1
1 23 . 6 1 1 A 8 8 GLU CB C 8 29.455 29.553 -0.098 1
1 24 . 6 1 1 A 8 8 GLU N N 8 117.887 118.885 -0.998 1
1 25 . 6 1 1 A 9 9 TYR H H 9 6.889 8.533 -1.644 1
1 26 . 6 1 1 A 9 9 TYR HA H 9 4.301 4.553 -0.252 1
1 33 . 6 1 1 A 9 9 TYR C C 9 177.756 177.230 0.526 1
1 34 . 6 1 1 A 9 9 TYR CA C 9 60.754 60.763 -0.009 1
1 35 . 6 1 1 A 9 9 TYR CB C 9 37.319 37.557 -0.238 1
1 36 . 6 1 1 A 9 9 TYR N N 9 117.876 119.810 -1.934 1
1 37 . 6 1 1 A 10 10 TYR H H 10 8.138 8.753 -0.615 1
1 38 . 6 1 1 A 10 10 TYR HA H 10 4.018 4.434 -0.416 1
1 45 . 6 1 1 A 10 10 TYR C C 10 176.231 177.360 -1.129 1
1 46 . 6 1 1 A 10 10 TYR CA C 10 62.031 59.590 2.441 1
1 47 . 6 1 1 A 10 10 TYR CB C 10 38.951 37.154 1.797 1
1 48 . 6 1 1 A 10 10 TYR N N 10 118.874 120.884 -2.010 1
1 49 . 6 1 1 A 11 11 LEU H H 11 8.597 7.519 1.078 1
1 50 . 6 1 1 A 11 11 LEU HA H 11 3.797 3.331 0.466 1
1 60 . 6 1 1 A 11 11 LEU C C 11 180.257 178.247 2.010 1
1 61 . 6 1 1 A 11 11 LEU CA C 11 58.295 56.836 1.459 1
1 62 . 6 1 1 A 11 11 LEU CB C 11 41.541 41.252 0.289 1
1 66 . 6 1 1 A 11 11 LEU N N 11 119.267 119.662 -0.395 1
1 67 . 6 1 1 A 12 12 GLU H H 12 7.640 7.577 0.063 1
1 68 . 6 1 1 A 12 12 GLU HA H 12 4.033 3.922 0.111 1
1 69 . 6 1 1 A 12 12 GLU C C 12 179.050 179.232 -0.182 1
1 70 . 6 1 1 A 12 12 GLU CA C 12 59.137 59.459 -0.322 1
1 71 . 6 1 1 A 12 12 GLU CB C 12 29.351 29.164 0.187 1
1 72 . 6 1 1 A 12 12 GLU N N 12 119.459 119.030 0.429 1
1 73 . 6 1 1 A 13 13 GLY H H 13 8.624 8.089 0.535 1
1 74 . 6 1 1 A 13 13 GLY HA2 H 13 3.083 3.820 -0.737 1
1 75 . 6 1 1 A 13 13 GLY HA3 H 13 2.863 3.863 -1.000 1
1 76 . 6 1 1 A 13 13 GLY C C 13 175.651 176.915 -1.264 1
1 77 . 6 1 1 A 13 13 GLY CA C 13 48.592 47.318 1.274 1
1 78 . 6 1 1 A 13 13 GLY N N 13 110.175 107.891 2.284 1
1 79 . 6 1 1 A 14 14 VAL H H 14 8.757 7.507 1.250 1
1 80 . 6 1 1 A 14 14 VAL HA H 14 3.532 3.694 -0.162 1
1 88 . 6 1 1 A 14 14 VAL C C 14 177.103 177.528 -0.425 1
1 89 . 6 1 1 A 14 14 VAL CA C 14 67.661 65.791 1.870 1
1 90 . 6 1 1 A 14 14 VAL CB C 14 31.430 31.548 -0.118 1
1 93 . 6 1 1 A 14 14 VAL N N 14 124.361 121.544 2.817 1
1 94 . 6 1 1 A 15 15 LEU H H 15 7.555 8.021 -0.466 1
1 95 . 6 1 1 A 15 15 LEU HA H 15 4.089 3.846 0.243 1
1 105 . 6 1 1 A 15 15 LEU C C 15 181.353 178.660 2.693 1
1 106 . 6 1 1 A 15 15 LEU CA C 15 58.775 57.911 0.864 1
1 107 . 6 1 1 A 15 15 LEU CB C 15 39.871 41.685 -1.814 1
1 111 . 6 1 1 A 15 15 LEU N N 15 119.975 119.660 0.315 1
1 112 . 6 1 1 A 16 16 GLN H H 16 7.878 7.797 0.081 1
1 113 . 6 1 1 A 16 16 GLN C C 16 177.675 178.354 -0.679 1
1 114 . 6 1 1 A 16 16 GLN CA C 16 58.023 59.088 -1.065 1
1 115 . 6 1 1 A 16 16 GLN CB C 16 27.162 28.117 -0.955 1
1 116 . 6 1 1 A 16 16 GLN N N 16 117.171 116.874 0.297 1
1 117 . 6 1 1 A 17 17 TYR H H 17 9.044 8.136 0.908 1
1 118 . 6 1 1 A 17 17 TYR HA H 17 3.637 4.391 -0.754 1
1 125 . 6 1 1 A 17 17 TYR C C 17 179.591 177.961 1.630 1
1 126 . 6 1 1 A 17 17 TYR CA C 17 62.233 61.022 1.211 1
1 127 . 6 1 1 A 17 17 TYR CB C 17 38.759 38.667 0.092 1
1 128 . 6 1 1 A 17 17 TYR N N 17 124.139 120.923 3.216 1
1 129 . 6 1 1 A 18 18 ASP H H 18 9.408 8.892 0.516 1
1 130 . 6 1 1 A 18 18 ASP HA H 18 4.392 4.465 -0.073 1
1 133 . 6 1 1 A 18 18 ASP C C 18 177.432 177.405 0.027 1
1 134 . 6 1 1 A 18 18 ASP CA C 18 57.155 56.642 0.513 1
1 135 . 6 1 1 A 18 18 ASP CB C 18 39.901 41.088 -1.187 1
1 136 . 6 1 1 A 18 18 ASP N N 18 122.934 118.861 4.073 1
1 137 . 6 1 1 A 19 19 ALA H H 19 7.264 7.669 -0.405 1
1 138 . 6 1 1 A 19 19 ALA HA H 19 4.294 4.201 0.093 1
1 142 . 6 1 1 A 19 19 ALA C C 19 177.336 177.961 -0.625 1
1 143 . 6 1 1 A 19 19 ALA CA C 19 52.171 51.876 0.295 1
1 144 . 6 1 1 A 19 19 ALA CB C 19 18.870 18.614 0.256 1
1 145 . 6 1 1 A 19 19 ALA N N 19 119.827 120.342 -0.515 1
1 146 . 6 1 1 A 20 20 GLY H H 20 7.667 8.710 -1.043 1
1 147 . 6 1 1 A 20 20 GLY HA2 H 20 3.844 3.522 0.322 1
1 148 . 6 1 1 A 20 20 GLY HA3 H 20 2.653 3.742 -1.089 1
1 149 . 6 1 1 A 20 20 GLY C C 20 173.498 174.770 -1.272 1
1 150 . 6 1 1 A 20 20 GLY CA C 20 44.003 46.968 -2.965 1
1 151 . 6 1 1 A 20 20 GLY N N 20 106.574 111.634 -5.060 1
1 152 . 6 1 1 A 21 21 ASN H H 21 7.998 7.953 0.045 1
1 153 . 6 1 1 A 21 21 ASN HA H 21 4.884 5.053 -0.169 1
1 156 . 6 1 1 A 21 21 ASN C C 21 175.654 175.578 0.076 1
1 157 . 6 1 1 A 21 21 ASN CA C 21 50.397 51.787 -1.390 1
1 158 . 6 1 1 A 21 21 ASN CB C 21 35.866 38.285 -2.419 1
1 159 . 6 1 1 A 21 21 ASN N N 21 121.852 117.355 4.497 1
1 160 . 6 1 1 A 22 22 TYR H H 22 7.024 7.802 -0.778 1
1 161 . 6 1 1 A 22 22 TYR HA H 22 4.203 4.107 0.096 1
1 166 . 6 1 1 A 22 22 TYR C C 22 179.639 178.444 1.195 1
1 167 . 6 1 1 A 22 22 TYR CA C 22 61.732 60.390 1.342 1
1 168 . 6 1 1 A 22 22 TYR CB C 22 37.840 38.247 -0.407 1
1 169 . 6 1 1 A 22 22 TYR N N 22 119.554 122.565 -3.011 1
1 170 . 6 1 1 A 23 23 THR H H 23 9.025 8.479 0.546 1
1 171 . 6 1 1 A 23 23 THR HA H 23 3.742 3.887 -0.145 1
1 176 . 6 1 1 A 23 23 THR C C 23 176.384 176.639 -0.255 1
1 177 . 6 1 1 A 23 23 THR CA C 23 67.528 65.805 1.723 1
1 178 . 6 1 1 A 23 23 THR CB C 23 67.962 68.918 -0.956 1
1 180 . 6 1 1 A 23 23 THR N N 23 117.377 115.048 2.329 1
1 181 . 6 1 1 A 24 24 GLU H H 24 8.762 8.384 0.378 1
1 182 . 6 1 1 A 24 24 GLU HA H 24 3.959 3.931 0.028 1
1 183 . 6 1 1 A 24 24 GLU C C 24 179.843 179.098 0.745 1
1 184 . 6 1 1 A 24 24 GLU CA C 24 60.243 59.766 0.477 1
1 185 . 6 1 1 A 24 24 GLU CB C 24 28.510 29.303 -0.793 1
1 186 . 6 1 1 A 24 24 GLU N N 24 123.212 119.579 3.633 1
1 187 . 6 1 1 A 25 25 SER H H 25 8.152 8.092 0.060 1
1 188 . 6 1 1 A 25 25 SER HA H 25 4.057 4.305 -0.248 1
1 190 . 6 1 1 A 25 25 SER C C 25 174.017 177.320 -3.303 1
1 191 . 6 1 1 A 25 25 SER CA C 25 62.319 61.742 0.577 1
1 192 . 6 1 1 A 25 25 SER CB C 25 62.345 62.797 -0.452 1
1 193 . 6 1 1 A 25 25 SER N N 25 115.914 114.312 1.602 1
1 194 . 6 1 1 A 26 26 ILE H H 26 7.593 8.026 -0.433 1
1 195 . 6 1 1 A 26 26 ILE HA H 26 3.560 3.611 -0.051 1
1 204 . 6 1 1 A 26 26 ILE C C 26 176.788 177.589 -0.801 1
1 205 . 6 1 1 A 26 26 ILE CA C 26 66.713 65.186 1.527 1
1 206 . 6 1 1 A 26 26 ILE CB C 26 36.519 37.506 -0.987 1
1 210 . 6 1 1 A 26 26 ILE N N 26 122.676 123.314 -0.638 1
1 211 . 6 1 1 A 27 27 ASP H H 27 6.944 8.571 -1.627 1
1 212 . 6 1 1 A 27 27 ASP HA H 27 4.239 4.312 -0.073 1
1 214 . 6 1 1 A 27 27 ASP C C 27 178.538 178.797 -0.259 1
1 215 . 6 1 1 A 27 27 ASP CA C 27 57.449 57.735 -0.286 1
1 216 . 6 1 1 A 27 27 ASP CB C 27 40.758 41.720 -0.962 1
1 217 . 6 1 1 A 27 27 ASP N N 27 118.062 120.857 -2.795 1
1 218 . 6 1 1 A 28 28 LEU H H 28 6.971 8.435 -1.464 1
1 219 . 6 1 1 A 28 28 LEU HA H 28 3.776 4.059 -0.283 1
1 229 . 6 1 1 A 28 28 LEU C C 28 178.716 179.242 -0.526 1
1 230 . 6 1 1 A 28 28 LEU CA C 28 58.135 58.058 0.077 1
1 231 . 6 1 1 A 28 28 LEU CB C 28 40.491 42.083 -1.592 1
1 235 . 6 1 1 A 28 28 LEU N N 28 120.290 120.377 -0.087 1
1 236 . 6 1 1 A 29 29 PHE H H 29 8.520 8.834 -0.314 1
1 237 . 6 1 1 A 29 29 PHE HA H 29 4.324 3.953 0.371 1
1 240 . 6 1 1 A 29 29 PHE C C 29 178.284 177.619 0.665 1
1 241 . 6 1 1 A 29 29 PHE CA C 29 59.548 62.256 -2.708 1
1 242 . 6 1 1 A 29 29 PHE CB C 29 37.576 38.961 -1.385 1
1 243 . 6 1 1 A 29 29 PHE N N 29 118.434 119.005 -0.571 1
1 244 . 6 1 1 A 30 30 GLU H H 30 8.779 8.881 -0.102 1
1 245 . 6 1 1 A 30 30 GLU HA H 30 3.795 3.824 -0.029 1
1 246 . 6 1 1 A 30 30 GLU C C 30 178.966 178.770 0.196 1
1 247 . 6 1 1 A 30 30 GLU CA C 30 59.452 59.983 -0.531 1
1 248 . 6 1 1 A 30 30 GLU CB C 30 29.049 29.058 -0.009 1
1 249 . 6 1 1 A 30 30 GLU N N 30 117.548 118.511 -0.963 1
1 250 . 6 1 1 A 31 31 LYS H H 31 7.318 7.712 -0.394 1
1 251 . 6 1 1 A 31 31 LYS HA H 31 3.668 3.894 -0.226 1
1 259 . 6 1 1 A 31 31 LYS C C 31 178.665 178.705 -0.040 1
1 260 . 6 1 1 A 31 31 LYS CA C 31 59.401 59.141 0.260 1
1 261 . 6 1 1 A 31 31 LYS CB C 31 31.113 32.271 -1.158 1
1 264 . 6 1 1 A 31 31 LYS N N 31 120.410 119.606 0.804 1
1 265 . 6 1 1 A 32 32 ALA H H 32 7.311 8.028 -0.717 1
1 266 . 6 1 1 A 32 32 ALA HA H 32 3.859 3.521 0.338 1
1 270 . 6 1 1 A 32 32 ALA C C 32 178.384 179.647 -1.263 1
1 271 . 6 1 1 A 32 32 ALA CA C 32 54.697 54.783 -0.086 1
1 272 . 6 1 1 A 32 32 ALA CB C 32 15.999 18.433 -2.434 1
1 273 . 6 1 1 A 32 32 ALA N N 32 121.277 121.569 -0.292 1
1 274 . 6 1 1 A 33 33 ILE H H 33 8.114 7.646 0.468 1
1 275 . 6 1 1 A 33 33 ILE HA H 33 3.469 3.234 0.235 1
1 285 . 6 1 1 A 33 33 ILE C C 33 176.970 177.803 -0.833 1
1 286 . 6 1 1 A 33 33 ILE CA C 33 64.857 64.936 -0.079 1
1 287 . 6 1 1 A 33 33 ILE CB C 33 38.669 37.150 1.519 1
1 291 . 6 1 1 A 33 33 ILE N N 33 118.905 117.412 1.493 1
1 292 . 6 1 1 A 34 34 GLN H H 34 7.790 7.824 -0.034 1
1 293 . 6 1 1 A 34 34 GLN HA H 34 3.853 3.837 0.016 1
1 296 . 6 1 1 A 34 34 GLN C C 34 178.320 177.685 0.635 1
1 297 . 6 1 1 A 34 34 GLN CA C 34 57.696 58.621 -0.925 1
1 298 . 6 1 1 A 34 34 GLN CB C 34 28.457 28.477 -0.020 1
1 299 . 6 1 1 A 34 34 GLN N N 34 115.405 119.904 -4.499 1
1 300 . 6 1 1 A 35 35 LEU H H 35 7.092 7.017 0.075 1
1 301 . 6 1 1 A 35 35 LEU HA H 35 4.354 4.062 0.292 1
1 311 . 6 1 1 A 35 35 LEU C C 35 177.841 176.518 1.323 1
1 312 . 6 1 1 A 35 35 LEU CA C 35 56.273 56.546 -0.273 1
1 313 . 6 1 1 A 35 35 LEU CB C 35 43.490 42.829 0.661 1
1 317 . 6 1 1 A 35 35 LEU N N 35 116.678 117.844 -1.166 1
1 318 . 6 1 1 A 36 36 ASP H H 36 8.367 7.482 0.885 1
1 319 . 6 1 1 A 36 36 ASP CA C 36 52.138 52.509 -0.371 1
1 320 . 6 1 1 A 36 36 ASP CB C 36 41.549 43.437 -1.888 1
1 321 . 6 1 1 A 36 36 ASP N N 36 117.682 113.578 4.104 1
1 322 . 6 1 1 A 37 37 PRO HA H 37 4.940 4.646 0.294 1
1 329 . 6 1 1 A 37 37 PRO C C 37 178.088 177.054 1.034 1
1 330 . 6 1 1 A 37 37 PRO CA C 37 64.272 64.086 0.186 1
1 331 . 6 1 1 A 37 37 PRO CB C 37 32.155 32.770 -0.615 1
1 334 . 6 1 1 A 38 38 GLU H H 38 7.853 8.488 -0.635 1
1 335 . 6 1 1 A 38 38 GLU HA H 38 4.436 4.400 0.036 1
1 337 . 6 1 1 A 38 38 GLU C C 38 174.874 176.731 -1.857 1
1 338 . 6 1 1 A 38 38 GLU CA C 38 56.200 56.982 -0.782 1
1 339 . 6 1 1 A 38 38 GLU CB C 38 29.589 29.064 0.525 1
1 340 . 6 1 1 A 38 38 GLU N N 38 116.933 116.622 0.311 1
1 341 . 6 1 1 A 39 39 GLU H H 39 6.992 7.621 -0.629 1
1 342 . 6 1 1 A 39 39 GLU HA H 39 4.313 4.620 -0.307 1
1 343 . 6 1 1 A 39 39 GLU C C 39 176.082 177.324 -1.242 1
1 344 . 6 1 1 A 39 39 GLU CA C 39 54.591 55.702 -1.111 1
1 345 . 6 1 1 A 39 39 GLU CB C 39 29.177 29.140 0.037 1
1 346 . 6 1 1 A 39 39 GLU N N 39 119.900 120.236 -0.336 1
1 347 . 6 1 1 A 40 40 SER H H 40 8.458 9.025 -0.567 1
1 348 . 6 1 1 A 40 40 SER HA H 40 4.103 4.558 -0.455 1
1 350 . 6 1 1 A 40 40 SER C C 40 176.323 176.728 -0.405 1
1 351 . 6 1 1 A 40 40 SER CA C 40 61.929 61.700 0.229 1
1 352 . 6 1 1 A 40 40 SER CB C 40 63.232 62.854 0.378 1
1 353 . 6 1 1 A 40 40 SER N N 40 125.619 119.238 6.381 1
1 354 . 6 1 1 A 41 41 LYS H H 41 9.248 8.086 1.162 1
1 355 . 6 1 1 A 41 41 LYS HA H 41 4.068 4.253 -0.185 1
1 358 . 6 1 1 A 41 41 LYS C C 41 177.520 179.089 -1.569 1
1 359 . 6 1 1 A 41 41 LYS CA C 41 59.259 58.948 0.311 1
1 360 . 6 1 1 A 41 41 LYS CB C 41 31.161 32.494 -1.333 1
1 361 . 6 1 1 A 41 41 LYS N N 41 119.120 121.851 -2.731 1
1 362 . 6 1 1 A 42 42 TYR H H 42 6.924 8.248 -1.324 1
1 363 . 6 1 1 A 42 42 TYR HA H 42 4.301 4.366 -0.065 1
1 368 . 6 1 1 A 42 42 TYR C C 42 177.269 178.289 -1.020 1
1 369 . 6 1 1 A 42 42 TYR CA C 42 57.603 60.353 -2.750 1
1 370 . 6 1 1 A 42 42 TYR CB C 42 37.063 38.363 -1.300 1
1 371 . 6 1 1 A 42 42 TYR N N 42 118.666 118.678 -0.012 1
1 372 . 6 1 1 A 43 43 TRP H H 43 6.662 8.628 -1.966 1
1 373 . 6 1 1 A 43 43 TRP HA H 43 3.910 4.747 -0.837 1
1 378 . 6 1 1 A 43 43 TRP C C 43 178.823 178.904 -0.081 1
1 379 . 6 1 1 A 43 43 TRP CA C 43 59.953 60.441 -0.488 1
1 380 . 6 1 1 A 43 43 TRP CB C 43 30.759 30.035 0.724 1
1 381 . 6 1 1 A 43 43 TRP N N 43 118.990 120.643 -1.653 1
1 383 . 6 1 1 A 44 44 LEU H H 44 8.412 8.630 -0.218 1
1 384 . 6 1 1 A 44 44 LEU HA H 44 4.112 4.283 -0.171 1
1 394 . 6 1 1 A 44 44 LEU C C 44 177.758 178.739 -0.981 1
1 395 . 6 1 1 A 44 44 LEU CA C 44 58.613 58.284 0.329 1
1 396 . 6 1 1 A 44 44 LEU CB C 44 42.004 41.584 0.420 1
1 400 . 6 1 1 A 44 44 LEU N N 44 118.970 121.978 -3.008 1
1 401 . 6 1 1 A 45 45 MET H H 45 7.403 8.463 -1.060 1
1 402 . 6 1 1 A 45 45 MET HA H 45 4.270 4.263 0.007 1
1 403 . 6 1 1 A 45 45 MET C C 45 177.749 178.103 -0.354 1
1 404 . 6 1 1 A 45 45 MET CA C 45 55.159 58.334 -3.175 1
1 405 . 6 1 1 A 45 45 MET CB C 45 26.925 31.887 -4.962 1
1 406 . 6 1 1 A 45 45 MET N N 45 113.618 119.515 -5.897 1
1 407 . 6 1 1 A 46 46 LYS H H 46 7.623 7.726 -0.103 1
1 408 . 6 1 1 A 46 46 LYS HA H 46 3.906 3.677 0.229 1
1 409 . 6 1 1 A 46 46 LYS C C 46 178.056 179.101 -1.045 1
1 410 . 6 1 1 A 46 46 LYS CA C 46 61.394 59.621 1.773 1
1 411 . 6 1 1 A 46 46 LYS CB C 46 32.442 31.604 0.838 1
1 412 . 6 1 1 A 46 46 LYS N N 46 119.840 119.641 0.199 1
1 413 . 6 1 1 A 47 47 GLY H H 47 8.495 8.224 0.271 1
1 414 . 6 1 1 A 47 47 GLY HA2 H 47 3.730 3.201 0.529 1
1 415 . 6 1 1 A 47 47 GLY HA3 H 47 3.612 3.455 0.157 1
1 416 . 6 1 1 A 47 47 GLY C C 47 175.340 175.724 -0.384 1
1 417 . 6 1 1 A 47 47 GLY CA C 47 47.689 47.142 0.547 1
1 418 . 6 1 1 A 47 47 GLY N N 47 105.741 107.355 -1.614 1
1 419 . 6 1 1 A 48 48 LYS H H 48 8.760 7.795 0.965 1
1 420 . 6 1 1 A 48 48 LYS HA H 48 3.969 4.183 -0.214 1
1 428 . 6 1 1 A 48 48 LYS C C 48 180.425 179.274 1.151 1
1 429 . 6 1 1 A 48 48 LYS CA C 48 60.506 59.853 0.653 1
1 430 . 6 1 1 A 48 48 LYS CB C 48 30.964 32.258 -1.294 1
1 433 . 6 1 1 A 48 48 LYS N N 48 122.568 121.985 0.583 1
1 434 . 6 1 1 A 49 49 ALA H H 49 8.668 7.835 0.833 1
1 435 . 6 1 1 A 49 49 ALA HA H 49 4.084 3.936 0.148 1
1 439 . 6 1 1 A 49 49 ALA C C 49 178.870 179.931 -1.061 1
1 440 . 6 1 1 A 49 49 ALA CA C 49 55.777 55.051 0.726 1
1 441 . 6 1 1 A 49 49 ALA CB C 49 17.702 18.585 -0.883 1
1 442 . 6 1 1 A 49 49 ALA N N 49 124.484 122.415 2.069 1
1 443 . 6 1 1 A 50 50 LEU H H 50 8.192 8.247 -0.055 1
1 444 . 6 1 1 A 50 50 LEU HA H 50 3.771 3.850 -0.079 1
1 454 . 6 1 1 A 50 50 LEU C C 50 179.839 178.904 0.935 1
1 455 . 6 1 1 A 50 50 LEU CA C 50 58.727 57.729 0.998 1
1 456 . 6 1 1 A 50 50 LEU CB C 50 40.549 42.243 -1.694 1
1 460 . 6 1 1 A 50 50 LEU N N 50 118.843 117.996 0.847 1
1 461 . 6 1 1 A 51 51 TYR H H 51 9.282 8.572 0.710 1
1 462 . 6 1 1 A 51 51 TYR HA H 51 3.557 3.731 -0.174 1
1 469 . 6 1 1 A 51 51 TYR C C 51 179.177 178.004 1.173 1
1 470 . 6 1 1 A 51 51 TYR CA C 51 61.878 62.302 -0.424 1
1 471 . 6 1 1 A 51 51 TYR CB C 51 38.249 38.524 -0.275 1
1 472 . 6 1 1 A 51 51 TYR N N 51 122.719 119.457 3.262 1
1 473 . 6 1 1 A 52 52 ASN H H 52 7.882 8.142 -0.260 1
1 474 . 6 1 1 A 52 52 ASN HA H 52 4.084 3.906 0.178 1
1 477 . 6 1 1 A 52 52 ASN C C 52 175.615 176.531 -0.916 1
1 478 . 6 1 1 A 52 52 ASN CA C 52 55.964 55.736 0.228 1
1 479 . 6 1 1 A 52 52 ASN CB C 52 37.219 38.911 -1.692 1
1 480 . 6 1 1 A 52 52 ASN N N 52 120.327 117.653 2.674 1
1 481 . 6 1 1 A 53 53 LEU H H 53 7.178 7.191 -0.013 1
1 482 . 6 1 1 A 53 53 LEU HA H 53 4.299 4.130 0.169 1
1 492 . 6 1 1 A 53 53 LEU C C 53 175.095 176.249 -1.154 1
1 493 . 6 1 1 A 53 53 LEU CA C 53 54.112 54.592 -0.480 1
1 494 . 6 1 1 A 53 53 LEU CB C 53 42.548 41.752 0.796 1
1 498 . 6 1 1 A 53 53 LEU N N 53 119.827 117.207 2.620 1
1 499 . 6 1 1 A 54 54 GLU H H 54 7.515 7.650 -0.135 1
1 500 . 6 1 1 A 54 54 GLU C C 54 175.118 175.624 -0.506 1
1 501 . 6 1 1 A 54 54 GLU CA C 54 56.811 57.313 -0.502 1
1 502 . 6 1 1 A 54 54 GLU CB C 54 25.944 27.470 -1.526 1
1 503 . 6 1 1 A 54 54 GLU N N 54 112.799 117.631 -4.832 1
1 504 . 6 1 1 A 55 55 ARG H H 55 7.719 7.772 -0.053 1
1 505 . 6 1 1 A 55 55 ARG HA H 55 4.407 4.533 -0.126 1
1 512 . 6 1 1 A 55 55 ARG C C 55 176.820 176.127 0.693 1
1 513 . 6 1 1 A 55 55 ARG CA C 55 54.493 54.152 0.341 1
1 514 . 6 1 1 A 55 55 ARG CB C 55 29.041 28.027 1.014 1
1 517 . 6 1 1 A 55 55 ARG N N 55 122.369 120.556 1.813 1
1 518 . 6 1 1 A 56 56 TYR H H 56 6.403 7.419 -1.016 1
1 519 . 6 1 1 A 56 56 TYR HA H 56 3.879 4.277 -0.398 1
1 526 . 6 1 1 A 56 56 TYR C C 56 177.879 178.279 -0.400 1
1 527 . 6 1 1 A 56 56 TYR CA C 56 62.080 61.008 1.072 1
1 528 . 6 1 1 A 56 56 TYR CB C 56 38.443 38.114 0.329 1
1 529 . 6 1 1 A 56 56 TYR N N 56 117.128 120.336 -3.208 1
1 530 . 6 1 1 A 57 57 GLU H H 57 9.032 8.520 0.512 1
1 531 . 6 1 1 A 57 57 GLU HA H 57 3.865 4.164 -0.299 1
1 532 . 6 1 1 A 57 57 GLU C C 57 179.417 178.803 0.614 1
1 533 . 6 1 1 A 57 57 GLU CA C 57 60.722 59.503 1.219 1
1 534 . 6 1 1 A 57 57 GLU CB C 57 29.124 29.372 -0.248 1
1 535 . 6 1 1 A 57 57 GLU N N 57 118.981 118.143 0.838 1
1 536 . 6 1 1 A 58 58 GLU H H 58 8.286 8.267 0.019 1
1 537 . 6 1 1 A 58 58 GLU HA H 58 4.050 4.074 -0.024 1
1 538 . 6 1 1 A 58 58 GLU C C 58 179.476 178.182 1.294 1
1 539 . 6 1 1 A 58 58 GLU CA C 58 59.289 59.535 -0.246 1
1 540 . 6 1 1 A 58 58 GLU CB C 58 31.234 29.342 1.892 1
1 541 . 6 1 1 A 58 58 GLU N N 58 119.123 119.532 -0.409 1
1 542 . 6 1 1 A 59 59 ALA H H 59 8.131 8.580 -0.449 1
1 543 . 6 1 1 A 59 59 ALA HA H 59 3.786 3.895 -0.109 1
1 547 . 6 1 1 A 59 59 ALA C C 59 178.281 180.046 -1.765 1
1 548 . 6 1 1 A 59 59 ALA CA C 59 56.324 55.310 1.014 1
1 549 . 6 1 1 A 59 59 ALA CB C 59 17.444 18.197 -0.753 1
1 550 . 6 1 1 A 59 59 ALA N N 59 124.009 122.284 1.725 1
1 551 . 6 1 1 A 60 60 VAL H H 60 8.079 7.855 0.224 1
1 552 . 6 1 1 A 60 60 VAL HA H 60 3.439 3.679 -0.240 1
1 560 . 6 1 1 A 60 60 VAL C C 60 177.323 177.862 -0.539 1
1 561 . 6 1 1 A 60 60 VAL CA C 60 67.410 66.770 0.640 1
1 562 . 6 1 1 A 60 60 VAL CB C 60 31.259 31.686 -0.427 1
1 565 . 6 1 1 A 60 60 VAL N N 60 116.647 118.425 -1.778 1
1 566 . 6 1 1 A 61 61 ASP H H 61 7.737 8.231 -0.494 1
1 567 . 6 1 1 A 61 61 ASP HA H 61 4.446 4.386 0.060 1
1 570 . 6 1 1 A 61 61 ASP C C 61 179.986 178.172 1.814 1
1 571 . 6 1 1 A 61 61 ASP CA C 61 58.123 57.858 0.265 1
1 572 . 6 1 1 A 61 61 ASP CB C 61 40.160 42.144 -1.984 1
1 573 . 6 1 1 A 61 61 ASP N N 61 119.276 120.512 -1.236 1
1 574 . 6 1 1 A 62 62 CYS H H 62 7.387 7.948 -0.561 1
1 575 . 6 1 1 A 62 62 CYS HA H 62 4.337 4.154 0.183 1
1 578 . 6 1 1 A 62 62 CYS C C 62 176.276 177.051 -0.775 1
1 579 . 6 1 1 A 62 62 CYS CA C 62 63.585 63.824 -0.239 1
1 580 . 6 1 1 A 62 62 CYS CB C 62 26.441 27.799 -1.358 1
1 581 . 6 1 1 A 62 62 CYS N N 62 118.794 117.618 1.176 1
1 582 . 6 1 1 A 63 63 TYR H H 63 7.391 7.580 -0.189 1
1 583 . 6 1 1 A 63 63 TYR HA H 63 4.249 4.420 -0.171 1
1 588 . 6 1 1 A 63 63 TYR C C 63 178.113 178.733 -0.620 1
1 589 . 6 1 1 A 63 63 TYR CA C 63 57.994 61.835 -3.841 1
1 590 . 6 1 1 A 63 63 TYR CB C 63 36.288 37.818 -1.530 1
1 591 . 6 1 1 A 63 63 TYR N N 63 119.775 119.103 0.672 1
1 592 . 6 1 1 A 64 64 ASN H H 64 9.121 8.636 0.485 1
1 593 . 6 1 1 A 64 64 ASN HA H 64 4.328 4.516 -0.188 1
1 596 . 6 1 1 A 64 64 ASN C C 64 177.346 177.551 -0.205 1
1 597 . 6 1 1 A 64 64 ASN CA C 64 54.809 56.371 -1.562 1
1 598 . 6 1 1 A 64 64 ASN CB C 64 36.904 37.746 -0.842 1
1 599 . 6 1 1 A 64 64 ASN N N 64 117.343 117.871 -0.528 1
1 600 . 6 1 1 A 65 65 TYR H H 65 7.635 8.181 -0.546 1
1 601 . 6 1 1 A 65 65 TYR HA H 65 3.660 4.008 -0.348 1
1 608 . 6 1 1 A 65 65 TYR C C 65 178.599 176.726 1.873 1
1 609 . 6 1 1 A 65 65 TYR CA C 65 62.267 61.503 0.764 1
1 610 . 6 1 1 A 65 65 TYR CB C 65 37.886 38.557 -0.671 1
1 611 . 6 1 1 A 65 65 TYR N N 65 124.181 122.649 1.532 1
1 612 . 6 1 1 A 66 66 VAL H H 66 7.093 8.160 -1.067 1
1 613 . 6 1 1 A 66 66 VAL HA H 66 3.316 3.556 -0.240 1
1 621 . 6 1 1 A 66 66 VAL C C 66 177.070 178.228 -1.158 1
1 622 . 6 1 1 A 66 66 VAL CA C 66 65.944 66.818 -0.874 1
1 623 . 6 1 1 A 66 66 VAL CB C 66 31.613 31.747 -0.134 1
1 626 . 6 1 1 A 66 66 VAL N N 66 119.247 119.246 0.001 1
1 627 . 6 1 1 A 67 67 ILE H H 67 7.640 8.413 -0.773 1
1 628 . 6 1 1 A 67 67 ILE HA H 67 3.056 3.794 -0.738 1
1 638 . 6 1 1 A 67 67 ILE C C 67 176.822 178.602 -1.780 1
1 639 . 6 1 1 A 67 67 ILE CA C 67 64.902 64.199 0.703 1
1 640 . 6 1 1 A 67 67 ILE CB C 67 39.444 37.100 2.344 1
1 644 . 6 1 1 A 67 67 ILE N N 67 117.814 120.179 -2.365 1
1 645 . 6 1 1 A 68 68 ASN H H 68 8.587 8.323 0.264 1
1 646 . 6 1 1 A 68 68 ASN HA H 68 4.564 4.472 0.092 1
1 649 . 6 1 1 A 68 68 ASN C C 68 176.007 176.768 -0.761 1
1 650 . 6 1 1 A 68 68 ASN CA C 68 54.569 55.578 -1.009 1
1 651 . 6 1 1 A 68 68 ASN CB C 68 39.424 38.872 0.552 1
1 652 . 6 1 1 A 68 68 ASN N N 68 112.692 120.407 -7.715 1
1 653 . 6 1 1 A 69 69 VAL H H 69 7.607 7.613 -0.006 1
1 654 . 6 1 1 A 69 69 VAL HA H 69 3.813 3.676 0.137 1
1 661 . 6 1 1 A 69 69 VAL C C 69 177.490 175.480 2.010 1
1 662 . 6 1 1 A 69 69 VAL CA C 69 64.763 65.109 -0.346 1
1 663 . 6 1 1 A 69 69 VAL CB C 69 30.804 31.186 -0.382 1
1 666 . 6 1 1 A 69 69 VAL N N 69 119.569 117.636 1.933 1
1 667 . 6 1 1 A 70 70 ILE H H 70 7.489 7.584 -0.095 1
1 668 . 6 1 1 A 70 70 ILE HA H 70 3.635 4.386 -0.751 1
1 678 . 6 1 1 A 70 70 ILE C C 70 176.523 176.405 0.118 1
1 679 . 6 1 1 A 70 70 ILE CA C 70 64.090 60.461 3.629 1
1 680 . 6 1 1 A 70 70 ILE CB C 70 37.026 39.093 -2.067 1
1 684 . 6 1 1 A 70 70 ILE N N 70 119.276 119.662 -0.386 1
1 685 . 6 1 1 A 71 71 GLU H H 71 6.641 8.610 -1.969 1
1 686 . 6 1 1 A 71 71 GLU HA H 71 3.865 4.516 -0.651 1
1 690 . 6 1 1 A 71 71 GLU C C 71 176.415 176.326 0.089 1
1 691 . 6 1 1 A 71 71 GLU CA C 71 57.229 56.234 0.995 1
1 692 . 6 1 1 A 71 71 GLU CB C 71 26.142 29.025 -2.883 1
1 694 . 6 1 1 A 71 71 GLU N N 71 110.179 123.712 -13.533 1
1 695 . 6 1 1 A 72 72 ASP H H 72 7.744 8.162 -0.418 1
1 696 . 6 1 1 A 72 72 ASP HA H 72 4.813 4.867 -0.054 1
1 699 . 6 1 1 A 72 72 ASP C C 72 176.230 175.898 0.332 1
1 700 . 6 1 1 A 72 72 ASP CA C 72 52.203 53.718 -1.515 1
1 701 . 6 1 1 A 72 72 ASP CB C 72 39.256 40.509 -1.253 1
1 702 . 6 1 1 A 72 72 ASP N N 72 121.733 120.319 1.414 1
1 703 . 6 1 1 A 73 73 GLU H H 73 7.510 7.951 -0.441 1
1 704 . 6 1 1 A 73 73 GLU HA H 73 3.946 4.468 -0.522 1
1 709 . 6 1 1 A 73 73 GLU C C 73 176.745 175.801 0.944 1
1 710 . 6 1 1 A 73 73 GLU CA C 73 58.303 56.852 1.451 1
1 711 . 6 1 1 A 73 73 GLU CB C 73 30.664 28.865 1.799 1
1 713 . 6 1 1 A 73 73 GLU N N 73 116.724 118.599 -1.875 1
1 714 . 6 1 1 A 74 74 TYR H H 74 8.794 8.706 0.088 1
1 715 . 6 1 1 A 74 74 TYR HA H 74 4.875 4.464 0.411 1
1 722 . 6 1 1 A 74 74 TYR C C 74 174.879 174.228 0.651 1
1 723 . 6 1 1 A 74 74 TYR CA C 74 56.732 56.902 -0.170 1
1 724 . 6 1 1 A 74 74 TYR CB C 74 37.069 39.531 -2.462 1
1 725 . 6 1 1 A 74 74 TYR N N 74 120.080 124.766 -4.686 1
1 726 . 6 1 1 A 75 75 ASN H H 75 7.237 7.455 -0.218 1
1 727 . 6 1 1 A 75 75 ASN HA H 75 4.601 4.694 -0.093 1
1 730 . 6 1 1 A 75 75 ASN C C 75 175.146 174.988 0.158 1
1 731 . 6 1 1 A 75 75 ASN CA C 75 53.124 51.954 1.170 1
1 732 . 6 1 1 A 75 75 ASN CB C 75 37.755 38.960 -1.205 1
1 733 . 6 1 1 A 75 75 ASN N N 75 118.665 119.842 -1.177 1
1 734 . 6 1 1 A 76 76 LYS H H 76 8.672 8.456 0.216 1
1 735 . 6 1 1 A 76 76 LYS HA H 76 4.077 3.675 0.402 1
1 742 . 6 1 1 A 76 76 LYS C C 76 177.773 178.102 -0.329 1
1 743 . 6 1 1 A 76 76 LYS CA C 76 60.060 59.605 0.455 1
1 744 . 6 1 1 A 76 76 LYS CB C 76 37.827 32.207 5.620 1
1 748 . 6 1 1 A 76 76 LYS N N 76 127.868 125.575 2.293 1
1 749 . 6 1 1 A 77 77 ASP H H 77 7.946 7.981 -0.035 1
1 750 . 6 1 1 A 77 77 ASP HA H 77 4.414 4.466 -0.052 1
1 753 . 6 1 1 A 77 77 ASP C C 77 179.265 178.800 0.465 1
1 754 . 6 1 1 A 77 77 ASP CA C 77 57.127 57.107 0.020 1
1 755 . 6 1 1 A 77 77 ASP CB C 77 40.634 40.774 -0.140 1
1 756 . 6 1 1 A 77 77 ASP N N 77 117.883 119.557 -1.674 1
1 757 . 6 1 1 A 78 78 VAL H H 78 7.653 8.075 -0.422 1
1 758 . 6 1 1 A 78 78 VAL HA H 78 3.282 3.626 -0.344 1
1 766 . 6 1 1 A 78 78 VAL C C 78 176.624 178.322 -1.698 1
1 767 . 6 1 1 A 78 78 VAL CA C 78 65.531 66.486 -0.955 1
1 768 . 6 1 1 A 78 78 VAL CB C 78 31.290 31.808 -0.518 1
1 771 . 6 1 1 A 78 78 VAL N N 78 121.259 119.887 1.372 1
1 772 . 6 1 1 A 79 79 TRP H H 79 7.626 8.379 -0.753 1
1 773 . 6 1 1 A 79 79 TRP HA H 79 4.107 4.402 -0.295 1
1 778 . 6 1 1 A 79 79 TRP C C 79 177.932 178.654 -0.722 1
1 779 . 6 1 1 A 79 79 TRP CA C 79 61.491 59.902 1.589 1
1 780 . 6 1 1 A 79 79 TRP CB C 79 28.665 28.809 -0.144 1
1 781 . 6 1 1 A 79 79 TRP N N 79 120.388 119.980 0.408 1
1 783 . 6 1 1 A 80 80 ALA H H 80 8.296 8.606 -0.310 1
1 784 . 6 1 1 A 80 80 ALA HA H 80 3.898 3.931 -0.033 1
1 788 . 6 1 1 A 80 80 ALA C C 80 176.556 179.812 -3.256 1
1 789 . 6 1 1 A 80 80 ALA CA C 80 55.158 55.227 -0.069 1
1 790 . 6 1 1 A 80 80 ALA CB C 80 18.155 18.096 0.059 1
1 791 . 6 1 1 A 80 80 ALA N N 80 120.453 120.819 -0.366 1
1 792 . 6 1 1 A 81 81 ALA H H 81 7.405 7.592 -0.187 1
1 793 . 6 1 1 A 81 81 ALA HA H 81 3.837 3.888 -0.051 1
1 797 . 6 1 1 A 81 81 ALA C C 81 180.646 178.983 1.663 1
1 798 . 6 1 1 A 81 81 ALA CA C 81 55.028 54.995 0.033 1
1 799 . 6 1 1 A 81 81 ALA CB C 81 15.649 17.831 -2.182 1
1 800 . 6 1 1 A 81 81 ALA N N 81 120.915 120.806 0.109 1
1 801 . 6 1 1 A 82 82 LYS H H 82 8.244 7.606 0.638 1
1 802 . 6 1 1 A 82 82 LYS HA H 82 3.853 3.569 0.284 1
1 811 . 6 1 1 A 82 82 LYS C C 82 177.176 178.333 -1.157 1
1 812 . 6 1 1 A 82 82 LYS CA C 82 60.577 58.987 1.590 1
1 813 . 6 1 1 A 82 82 LYS CB C 82 32.243 32.112 0.131 1
1 816 . 6 1 1 A 82 82 LYS N N 82 121.979 118.228 3.751 1
1 817 . 6 1 1 A 83 83 ALA H H 83 8.422 8.066 0.356 1
1 818 . 6 1 1 A 83 83 ALA HA H 83 3.894 3.978 -0.084 1
1 822 . 6 1 1 A 83 83 ALA C C 83 178.746 179.982 -1.236 1
1 823 . 6 1 1 A 83 83 ALA CA C 83 56.268 55.172 1.096 1
1 824 . 6 1 1 A 83 83 ALA CB C 83 17.700 18.115 -0.415 1
1 825 . 6 1 1 A 83 83 ALA N N 83 121.419 121.749 -0.330 1
1 826 . 6 1 1 A 84 84 ASP H H 84 7.481 8.212 -0.731 1
1 827 . 6 1 1 A 84 84 ASP HA H 84 4.377 4.319 0.058 1
1 828 . 6 1 1 A 84 84 ASP C C 84 178.394 178.376 0.018 1
1 829 . 6 1 1 A 84 84 ASP CA C 84 56.946 56.896 0.050 1
1 830 . 6 1 1 A 84 84 ASP CB C 84 40.351 40.023 0.328 1
1 831 . 6 1 1 A 84 84 ASP N N 84 114.693 119.564 -4.871 1
1 832 . 6 1 1 A 85 85 ALA H H 85 7.680 7.293 0.387 1
1 833 . 6 1 1 A 85 85 ALA HA H 85 4.521 4.436 0.085 1
1 837 . 6 1 1 A 85 85 ALA C C 85 179.100 180.880 -1.780 1
1 838 . 6 1 1 A 85 85 ALA CA C 85 55.819 55.021 0.798 1
1 839 . 6 1 1 A 85 85 ALA CB C 85 19.257 18.500 0.757 1
1 840 . 6 1 1 A 85 85 ALA N N 85 119.105 122.736 -3.631 1
1 841 . 6 1 1 A 86 86 LEU H H 86 8.516 8.134 0.382 1
1 842 . 6 1 1 A 86 86 LEU HA H 86 3.919 4.051 -0.132 1
1 852 . 6 1 1 A 86 86 LEU C C 86 178.767 178.917 -0.150 1
1 853 . 6 1 1 A 86 86 LEU CA C 86 48.892 57.475 -8.583 1
1 854 . 6 1 1 A 86 86 LEU CB C 86 43.011 41.295 1.716 1
1 858 . 6 1 1 A 86 86 LEU N N 86 115.208 119.975 -4.767 1
1 859 . 6 1 1 A 87 87 ARG H H 87 7.329 8.044 -0.715 1
1 860 . 6 1 1 A 87 87 ARG HA H 87 3.851 3.913 -0.062 1
1 867 . 6 1 1 A 87 87 ARG C C 87 176.800 176.162 0.638 1
1 868 . 6 1 1 A 87 87 ARG CA C 87 58.315 58.234 0.081 1
1 869 . 6 1 1 A 87 87 ARG CB C 87 27.514 29.870 -2.356 1
1 872 . 6 1 1 A 87 87 ARG N N 87 115.227 119.491 -4.264 1
1 873 . 6 1 1 A 88 88 TYR H H 88 7.201 7.878 -0.677 1
1 874 . 6 1 1 A 88 88 TYR HA H 88 4.193 4.785 -0.592 1
1 881 . 6 1 1 A 88 88 TYR C C 88 174.958 174.030 0.928 1
1 882 . 6 1 1 A 88 88 TYR CA C 88 58.463 56.988 1.475 1
1 883 . 6 1 1 A 88 88 TYR CB C 88 38.457 37.938 0.519 1
1 884 . 6 1 1 A 88 88 TYR N N 88 115.558 116.320 -0.762 1
1 885 . 6 1 1 A 89 89 ILE H H 89 7.374 8.052 -0.678 1
1 886 . 6 1 1 A 89 89 ILE HA H 89 4.175 4.439 -0.264 1
1 895 . 6 1 1 A 89 89 ILE C C 89 174.900 175.648 -0.748 1
1 896 . 6 1 1 A 89 89 ILE CA C 89 60.978 59.628 1.350 1
1 897 . 6 1 1 A 89 89 ILE CB C 89 38.945 40.630 -1.685 1
1 901 . 6 1 1 A 89 89 ILE N N 89 122.120 122.751 -0.631 1
1 902 . 6 1 1 A 90 90 GLU H H 90 8.655 8.951 -0.296 1
1 903 . 6 1 1 A 90 90 GLU HA H 90 4.159 4.143 0.016 1
1 905 . 6 1 1 A 90 90 GLU CA C 90 57.914 58.713 -0.799 1
1 906 . 6 1 1 A 90 90 GLU CB C 90 29.894 29.511 0.383 1
1 907 . 6 1 1 A 90 90 GLU N N 90 128.417 129.827 -1.410 1
1 908 . 6 1 1 A 91 91 GLY H H 91 9.089 8.337 0.752 1
1 909 . 6 1 1 A 91 91 GLY HA2 H 91 4.293 4.076 0.217 1
1 910 . 6 1 1 A 91 91 GLY HA3 H 91 4.039 4.078 -0.039 1
1 911 . 6 1 1 A 91 91 GLY CA C 91 45.756 45.872 -0.116 1
1 912 . 6 1 1 A 91 91 GLY N N 91 112.760 107.514 5.246 1
1 913 . 6 1 1 A 93 93 GLU C C 93 176.315 177.778 -1.463 1
1 914 . 6 1 1 A 94 94 VAL H H 94 8.288 8.585 -0.297 1
1 915 . 6 1 1 A 94 94 VAL HA H 94 3.800 3.877 -0.077 1
1 920 . 6 1 1 A 94 94 VAL C C 94 178.292 177.320 0.972 1
1 921 . 6 1 1 A 94 94 VAL CA C 94 56.374 64.657 -8.283 1
1 922 . 6 1 1 A 94 94 VAL CB C 94 31.630 31.771 -0.141 1
1 923 . 6 1 1 A 94 94 VAL N N 94 119.837 124.541 -4.704 1
1 924 . 6 1 1 A 95 95 GLU H H 95 8.207 8.247 -0.040 1
1 925 . 6 1 1 A 95 95 GLU HA H 95 3.931 3.967 -0.036 1
1 927 . 6 1 1 A 95 95 GLU C C 95 179.514 178.792 0.722 1
1 928 . 6 1 1 A 95 95 GLU CA C 95 60.215 59.308 0.907 1
1 929 . 6 1 1 A 95 95 GLU CB C 95 29.419 29.639 -0.220 1
1 930 . 6 1 1 A 95 95 GLU N N 95 120.805 121.073 -0.268 1
1 931 . 6 1 1 A 96 96 ALA H H 96 8.839 7.830 1.009 1
1 932 . 6 1 1 A 96 96 ALA HA H 96 4.029 4.010 0.019 1
1 936 . 6 1 1 A 96 96 ALA C C 96 179.047 179.988 -0.941 1
1 937 . 6 1 1 A 96 96 ALA CA C 96 54.866 54.801 0.065 1
1 938 . 6 1 1 A 96 96 ALA CB C 96 17.667 18.300 -0.633 1
1 939 . 6 1 1 A 96 96 ALA N N 96 123.226 122.362 0.864 1
1 940 . 6 1 1 A 97 97 GLU H H 97 7.763 7.832 -0.069 1
1 941 . 6 1 1 A 97 97 GLU HA H 97 4.055 3.975 0.080 1
1 943 . 6 1 1 A 97 97 GLU C C 97 178.015 179.509 -1.494 1
1 944 . 6 1 1 A 97 97 GLU CA C 97 59.138 59.719 -0.581 1
1 945 . 6 1 1 A 97 97 GLU CB C 97 29.588 30.015 -0.427 1
1 946 . 6 1 1 A 97 97 GLU N N 97 118.606 117.768 0.838 1
1 947 . 6 1 1 A 98 98 ILE H H 98 8.118 8.026 0.092 1
1 948 . 6 1 1 A 98 98 ILE HA H 98 3.657 3.715 -0.058 1
1 958 . 6 1 1 A 98 98 ILE C C 98 178.015 177.799 0.216 1
1 959 . 6 1 1 A 98 98 ILE CA C 98 64.831 65.601 -0.770 1
1 960 . 6 1 1 A 98 98 ILE CB C 98 38.402 37.965 0.437 1
1 964 . 6 1 1 A 98 98 ILE N N 98 122.339 120.988 1.351 1
1 965 . 6 1 1 A 99 99 ALA H H 99 8.117 8.309 -0.192 1
1 966 . 6 1 1 A 99 99 ALA HA H 99 4.210 3.873 0.337 1
1 970 . 6 1 1 A 99 99 ALA C C 99 178.762 179.089 -0.327 1
1 971 . 6 1 1 A 99 99 ALA CA C 99 55.360 55.383 -0.023 1
1 972 . 6 1 1 A 99 99 ALA CB C 99 17.499 17.797 -0.298 1
1 973 . 6 1 1 A 99 99 ALA N N 99 122.357 122.350 0.007 1
1 974 . 6 1 1 A 100 100 GLU H H 100 8.345 8.289 0.056 1
1 975 . 6 1 1 A 100 100 GLU HA H 100 3.787 3.987 -0.200 1
1 978 . 6 1 1 A 100 100 GLU C C 100 178.463 178.473 -0.010 1
1 979 . 6 1 1 A 100 100 GLU CA C 100 59.063 59.305 -0.242 1
1 980 . 6 1 1 A 100 100 GLU CB C 100 29.670 29.430 0.240 1
1 981 . 6 1 1 A 100 100 GLU N N 100 118.391 118.030 0.361 1
1 982 . 6 1 1 A 101 101 ALA H H 101 7.693 8.316 -0.623 1
1 983 . 6 1 1 A 101 101 ALA HA H 101 4.111 4.034 0.077 1
1 987 . 6 1 1 A 101 101 ALA C C 101 180.967 179.582 1.385 1
1 988 . 6 1 1 A 101 101 ALA CA C 101 54.383 55.121 -0.738 1
1 989 . 6 1 1 A 101 101 ALA CB C 101 18.097 18.192 -0.095 1
1 990 . 6 1 1 A 101 101 ALA N N 101 120.699 121.294 -0.595 1
1 991 . 6 1 1 A 102 102 ARG H H 102 7.959 8.018 -0.059 1
1 992 . 6 1 1 A 102 102 ARG HA H 102 3.705 4.079 -0.374 1
1 993 . 6 1 1 A 102 102 ARG C C 102 178.310 178.829 -0.519 1
1 994 . 6 1 1 A 102 102 ARG CA C 102 57.696 59.573 -1.877 1
1 995 . 6 1 1 A 102 102 ARG CB C 102 28.404 29.984 -1.580 1
1 996 . 6 1 1 A 102 102 ARG N N 102 118.386 117.915 0.471 1
1 997 . 6 1 1 A 103 103 ALA H H 103 7.896 8.222 -0.326 1
1 998 . 6 1 1 A 103 103 ALA HA H 103 4.108 4.277 -0.169 1
1 1002 . 6 1 1 A 103 103 ALA C C 103 178.184 179.468 -1.284 1
1 1003 . 6 1 1 A 103 103 ALA CA C 103 54.210 54.473 -0.263 1
1 1004 . 6 1 1 A 103 103 ALA CB C 103 18.430 18.428 0.002 1
1 1005 . 6 1 1 A 103 103 ALA N N 103 120.630 121.464 -0.834 1
1 1006 . 6 1 1 A 104 104 LYS H H 104 7.337 7.830 -0.493 1
1 1007 . 6 1 1 A 104 104 LYS HA H 104 4.150 4.276 -0.126 1
1 1013 . 6 1 1 A 104 104 LYS C C 104 177.211 176.617 0.594 1
1 1014 . 6 1 1 A 104 104 LYS CA C 104 56.429 57.312 -0.883 1
1 1015 . 6 1 1 A 104 104 LYS CB C 104 32.810 32.608 0.202 1
1 1018 . 6 1 1 A 104 104 LYS N N 104 115.288 118.022 -2.734 1
1 1019 . 6 1 1 A 105 105 LEU H H 105 7.511 7.338 0.173 1
1 1020 . 6 1 1 A 105 105 LEU HA H 105 4.162 4.249 -0.087 1
1 1030 . 6 1 1 A 105 105 LEU C C 105 177.260 175.503 1.757 1
1 1031 . 6 1 1 A 105 105 LEU CA C 105 56.227 55.639 0.588 1
1 1032 . 6 1 1 A 105 105 LEU CB C 105 42.365 42.533 -0.168 1
1 1036 . 6 1 1 A 105 105 LEU N N 105 120.938 121.403 -0.465 1
1 1037 . 6 1 1 A 106 106 GLU H H 106 8.283 8.785 -0.502 1
1 1038 . 6 1 1 A 106 106 GLU HA H 106 4.167 4.709 -0.542 1
1 1041 . 6 1 1 A 106 106 GLU C C 106 173.877 176.156 -2.279 1
1 1042 . 6 1 1 A 106 106 GLU CA C 106 55.862 54.939 0.923 1
1 1043 . 6 1 1 A 106 106 GLU CB C 106 30.289 31.373 -1.084 1
1 1044 . 6 1 1 A 106 106 GLU N N 106 121.004 128.068 -7.064 1
1 1045 . 6 1 1 A 107 107 HIS H H 107 8.128 8.648 -0.520 1
1 1046 . 6 1 1 A 107 107 HIS CA C 107 57.258 56.351 0.907 1
1 1047 . 6 1 1 A 107 107 HIS CB C 107 30.252 31.253 -1.001 1
1 1 . 7 1 1 A 6 6 PRO HA H 6 4.310 4.643 -0.333 1
1 8 . 7 1 1 A 6 6 PRO C C 6 177.583 177.557 0.026 1
1 9 . 7 1 1 A 6 6 PRO CA C 6 65.455 63.731 1.724 1
1 10 . 7 1 1 A 6 6 PRO CB C 6 31.231 30.990 0.241 1
1 13 . 7 1 1 A 7 7 GLU H H 7 8.058 9.034 -0.976 1
1 14 . 7 1 1 A 7 7 GLU HA H 7 4.314 4.501 -0.187 1
1 15 . 7 1 1 A 7 7 GLU C C 7 178.814 178.327 0.487 1
1 16 . 7 1 1 A 7 7 GLU CA C 7 58.577 59.322 -0.745 1
1 17 . 7 1 1 A 7 7 GLU CB C 7 29.806 29.543 0.263 1
1 18 . 7 1 1 A 7 7 GLU N N 7 116.393 120.595 -4.202 1
1 19 . 7 1 1 A 8 8 GLU H H 8 7.458 8.060 -0.602 1
1 20 . 7 1 1 A 8 8 GLU HA H 8 4.029 4.308 -0.279 1
1 21 . 7 1 1 A 8 8 GLU C C 8 179.794 179.052 0.742 1
1 22 . 7 1 1 A 8 8 GLU CA C 8 59.369 59.090 0.279 1
1 23 . 7 1 1 A 8 8 GLU CB C 8 29.455 29.474 -0.019 1
1 24 . 7 1 1 A 8 8 GLU N N 8 117.887 119.028 -1.141 1
1 25 . 7 1 1 A 9 9 TYR H H 9 6.889 8.640 -1.751 1
1 26 . 7 1 1 A 9 9 TYR HA H 9 4.301 4.386 -0.085 1
1 33 . 7 1 1 A 9 9 TYR C C 9 177.756 177.893 -0.137 1
1 34 . 7 1 1 A 9 9 TYR CA C 9 60.754 60.570 0.184 1
1 35 . 7 1 1 A 9 9 TYR CB C 9 37.319 37.609 -0.290 1
1 36 . 7 1 1 A 9 9 TYR N N 9 117.876 119.695 -1.819 1
1 37 . 7 1 1 A 10 10 TYR H H 10 8.138 8.473 -0.335 1
1 38 . 7 1 1 A 10 10 TYR HA H 10 4.018 4.369 -0.351 1
1 45 . 7 1 1 A 10 10 TYR C C 10 176.231 177.415 -1.184 1
1 46 . 7 1 1 A 10 10 TYR CA C 10 62.031 59.711 2.320 1
1 47 . 7 1 1 A 10 10 TYR CB C 10 38.951 37.163 1.788 1
1 48 . 7 1 1 A 10 10 TYR N N 10 118.874 120.427 -1.553 1
1 49 . 7 1 1 A 11 11 LEU H H 11 8.597 7.667 0.930 1
1 50 . 7 1 1 A 11 11 LEU HA H 11 3.797 3.395 0.402 1
1 60 . 7 1 1 A 11 11 LEU C C 11 180.257 178.006 2.251 1
1 61 . 7 1 1 A 11 11 LEU CA C 11 58.295 57.251 1.044 1
1 62 . 7 1 1 A 11 11 LEU CB C 11 41.541 41.179 0.362 1
1 66 . 7 1 1 A 11 11 LEU N N 11 119.267 119.354 -0.087 1
1 67 . 7 1 1 A 12 12 GLU H H 12 7.640 8.147 -0.507 1
1 68 . 7 1 1 A 12 12 GLU HA H 12 4.033 3.910 0.123 1
1 69 . 7 1 1 A 12 12 GLU C C 12 179.050 179.087 -0.037 1
1 70 . 7 1 1 A 12 12 GLU CA C 12 59.137 58.736 0.401 1
1 71 . 7 1 1 A 12 12 GLU CB C 12 29.351 29.155 0.196 1
1 72 . 7 1 1 A 12 12 GLU N N 12 119.459 120.879 -1.420 1
1 73 . 7 1 1 A 13 13 GLY H H 13 8.624 8.436 0.188 1
1 74 . 7 1 1 A 13 13 GLY HA2 H 13 3.083 3.725 -0.642 1
1 75 . 7 1 1 A 13 13 GLY HA3 H 13 2.863 3.762 -0.899 1
1 76 . 7 1 1 A 13 13 GLY C C 13 175.651 176.307 -0.656 1
1 77 . 7 1 1 A 13 13 GLY CA C 13 48.592 47.246 1.346 1
1 78 . 7 1 1 A 13 13 GLY N N 13 110.175 109.647 0.528 1
1 79 . 7 1 1 A 14 14 VAL H H 14 8.757 7.603 1.154 1
1 80 . 7 1 1 A 14 14 VAL HA H 14 3.532 3.692 -0.160 1
1 88 . 7 1 1 A 14 14 VAL C C 14 177.103 177.562 -0.459 1
1 89 . 7 1 1 A 14 14 VAL CA C 14 67.661 65.797 1.864 1
1 90 . 7 1 1 A 14 14 VAL CB C 14 31.430 31.699 -0.269 1
1 93 . 7 1 1 A 14 14 VAL N N 14 124.361 121.448 2.913 1
1 94 . 7 1 1 A 15 15 LEU H H 15 7.555 7.738 -0.183 1
1 95 . 7 1 1 A 15 15 LEU HA H 15 4.089 3.847 0.242 1
1 105 . 7 1 1 A 15 15 LEU C C 15 181.353 178.742 2.611 1
1 106 . 7 1 1 A 15 15 LEU CA C 15 58.775 58.001 0.774 1
1 107 . 7 1 1 A 15 15 LEU CB C 15 39.871 41.578 -1.707 1
1 111 . 7 1 1 A 15 15 LEU N N 15 119.975 119.868 0.107 1
1 112 . 7 1 1 A 16 16 GLN H H 16 7.878 7.860 0.018 1
1 113 . 7 1 1 A 16 16 GLN C C 16 177.675 177.242 0.433 1
1 114 . 7 1 1 A 16 16 GLN CA C 16 58.023 59.081 -1.058 1
1 115 . 7 1 1 A 16 16 GLN CB C 16 27.162 28.471 -1.309 1
1 116 . 7 1 1 A 16 16 GLN N N 16 117.171 117.514 -0.343 1
1 117 . 7 1 1 A 17 17 TYR H H 17 9.044 7.630 1.414 1
1 118 . 7 1 1 A 17 17 TYR HA H 17 3.637 4.085 -0.448 1
1 125 . 7 1 1 A 17 17 TYR C C 17 179.591 176.648 2.943 1
1 126 . 7 1 1 A 17 17 TYR CA C 17 62.233 61.765 0.468 1
1 127 . 7 1 1 A 17 17 TYR CB C 17 38.759 38.616 0.143 1
1 128 . 7 1 1 A 17 17 TYR N N 17 124.139 120.842 3.297 1
1 129 . 7 1 1 A 18 18 ASP H H 18 9.408 8.668 0.740 1
1 130 . 7 1 1 A 18 18 ASP HA H 18 4.392 4.347 0.045 1
1 133 . 7 1 1 A 18 18 ASP C C 18 177.432 176.892 0.540 1
1 134 . 7 1 1 A 18 18 ASP CA C 18 57.155 56.703 0.452 1
1 135 . 7 1 1 A 18 18 ASP CB C 18 39.901 41.363 -1.462 1
1 136 . 7 1 1 A 18 18 ASP N N 18 122.934 119.370 3.564 1
1 137 . 7 1 1 A 19 19 ALA H H 19 7.264 7.837 -0.573 1
1 138 . 7 1 1 A 19 19 ALA HA H 19 4.294 4.305 -0.011 1
1 142 . 7 1 1 A 19 19 ALA C C 19 177.336 176.690 0.646 1
1 143 . 7 1 1 A 19 19 ALA CA C 19 52.171 51.252 0.919 1
1 144 . 7 1 1 A 19 19 ALA CB C 19 18.870 18.014 0.856 1
1 145 . 7 1 1 A 19 19 ALA N N 19 119.827 120.504 -0.677 1
1 146 . 7 1 1 A 20 20 GLY H H 20 7.667 8.145 -0.478 1
1 147 . 7 1 1 A 20 20 GLY HA2 H 20 3.844 3.744 0.100 1
1 148 . 7 1 1 A 20 20 GLY HA3 H 20 2.653 3.842 -1.189 1
1 149 . 7 1 1 A 20 20 GLY C C 20 173.498 174.214 -0.716 1
1 150 . 7 1 1 A 20 20 GLY CA C 20 44.003 46.906 -2.903 1
1 151 . 7 1 1 A 20 20 GLY N N 20 106.574 110.839 -4.265 1
1 152 . 7 1 1 A 21 21 ASN H H 21 7.998 8.504 -0.506 1
1 153 . 7 1 1 A 21 21 ASN HA H 21 4.884 5.131 -0.247 1
1 156 . 7 1 1 A 21 21 ASN C C 21 175.654 175.423 0.231 1
1 157 . 7 1 1 A 21 21 ASN CA C 21 50.397 51.933 -1.536 1
1 158 . 7 1 1 A 21 21 ASN CB C 21 35.866 39.032 -3.166 1
1 159 . 7 1 1 A 21 21 ASN N N 21 121.852 121.578 0.274 1
1 160 . 7 1 1 A 22 22 TYR H H 22 7.024 8.009 -0.985 1
1 161 . 7 1 1 A 22 22 TYR HA H 22 4.203 4.167 0.036 1
1 166 . 7 1 1 A 22 22 TYR C C 22 179.639 178.481 1.158 1
1 167 . 7 1 1 A 22 22 TYR CA C 22 61.732 60.422 1.310 1
1 168 . 7 1 1 A 22 22 TYR CB C 22 37.840 38.315 -0.475 1
1 169 . 7 1 1 A 22 22 TYR N N 22 119.554 120.122 -0.568 1
1 170 . 7 1 1 A 23 23 THR H H 23 9.025 8.469 0.556 1
1 171 . 7 1 1 A 23 23 THR HA H 23 3.742 3.958 -0.216 1
1 176 . 7 1 1 A 23 23 THR C C 23 176.384 176.857 -0.473 1
1 177 . 7 1 1 A 23 23 THR CA C 23 67.528 65.760 1.768 1
1 178 . 7 1 1 A 23 23 THR CB C 23 67.962 69.105 -1.143 1
1 180 . 7 1 1 A 23 23 THR N N 23 117.377 115.114 2.263 1
1 181 . 7 1 1 A 24 24 GLU H H 24 8.762 8.453 0.309 1
1 182 . 7 1 1 A 24 24 GLU HA H 24 3.959 3.968 -0.009 1
1 183 . 7 1 1 A 24 24 GLU C C 24 179.843 179.105 0.738 1
1 184 . 7 1 1 A 24 24 GLU CA C 24 60.243 59.755 0.488 1
1 185 . 7 1 1 A 24 24 GLU CB C 24 28.510 29.542 -1.032 1
1 186 . 7 1 1 A 24 24 GLU N N 24 123.212 121.520 1.692 1
1 187 . 7 1 1 A 25 25 SER H H 25 8.152 8.118 0.034 1
1 188 . 7 1 1 A 25 25 SER HA H 25 4.057 4.166 -0.109 1
1 190 . 7 1 1 A 25 25 SER C C 25 174.017 176.170 -2.153 1
1 191 . 7 1 1 A 25 25 SER CA C 25 62.319 62.359 -0.040 1
1 192 . 7 1 1 A 25 25 SER CB C 25 62.345 63.020 -0.675 1
1 193 . 7 1 1 A 25 25 SER N N 25 115.914 116.630 -0.716 1
1 194 . 7 1 1 A 26 26 ILE H H 26 7.593 8.172 -0.579 1
1 195 . 7 1 1 A 26 26 ILE HA H 26 3.560 4.153 -0.593 1
1 204 . 7 1 1 A 26 26 ILE C C 26 176.788 178.104 -1.316 1
1 205 . 7 1 1 A 26 26 ILE CA C 26 66.713 64.505 2.208 1
1 206 . 7 1 1 A 26 26 ILE CB C 26 36.519 37.334 -0.815 1
1 210 . 7 1 1 A 26 26 ILE N N 26 122.676 122.095 0.581 1
1 211 . 7 1 1 A 27 27 ASP H H 27 6.944 8.306 -1.362 1
1 212 . 7 1 1 A 27 27 ASP HA H 27 4.239 4.583 -0.344 1
1 214 . 7 1 1 A 27 27 ASP C C 27 178.538 179.432 -0.894 1
1 215 . 7 1 1 A 27 27 ASP CA C 27 57.449 57.477 -0.028 1
1 216 . 7 1 1 A 27 27 ASP CB C 27 40.758 40.517 0.241 1
1 217 . 7 1 1 A 27 27 ASP N N 27 118.062 121.861 -3.799 1
1 218 . 7 1 1 A 28 28 LEU H H 28 6.971 8.350 -1.379 1
1 219 . 7 1 1 A 28 28 LEU HA H 28 3.776 4.127 -0.351 1
1 229 . 7 1 1 A 28 28 LEU C C 28 178.716 179.418 -0.702 1
1 230 . 7 1 1 A 28 28 LEU CA C 28 58.135 57.944 0.191 1
1 231 . 7 1 1 A 28 28 LEU CB C 28 40.491 42.167 -1.676 1
1 235 . 7 1 1 A 28 28 LEU N N 28 120.290 120.481 -0.191 1
1 236 . 7 1 1 A 29 29 PHE H H 29 8.520 8.400 0.120 1
1 237 . 7 1 1 A 29 29 PHE HA H 29 4.324 4.560 -0.236 1
1 240 . 7 1 1 A 29 29 PHE C C 29 178.284 178.280 0.004 1
1 241 . 7 1 1 A 29 29 PHE CA C 29 59.548 60.904 -1.356 1
1 242 . 7 1 1 A 29 29 PHE CB C 29 37.576 38.685 -1.109 1
1 243 . 7 1 1 A 29 29 PHE N N 29 118.434 118.074 0.360 1
1 244 . 7 1 1 A 30 30 GLU H H 30 8.779 8.748 0.031 1
1 245 . 7 1 1 A 30 30 GLU HA H 30 3.795 3.901 -0.106 1
1 246 . 7 1 1 A 30 30 GLU C C 30 178.966 178.979 -0.013 1
1 247 . 7 1 1 A 30 30 GLU CA C 30 59.452 60.054 -0.602 1
1 248 . 7 1 1 A 30 30 GLU CB C 30 29.049 29.068 -0.019 1
1 249 . 7 1 1 A 30 30 GLU N N 30 117.548 119.364 -1.816 1
1 250 . 7 1 1 A 31 31 LYS H H 31 7.318 7.753 -0.435 1
1 251 . 7 1 1 A 31 31 LYS HA H 31 3.668 4.036 -0.368 1
1 259 . 7 1 1 A 31 31 LYS C C 31 178.665 178.867 -0.202 1
1 260 . 7 1 1 A 31 31 LYS CA C 31 59.401 59.473 -0.072 1
1 261 . 7 1 1 A 31 31 LYS CB C 31 31.113 32.431 -1.318 1
1 264 . 7 1 1 A 31 31 LYS N N 31 120.410 119.537 0.873 1
1 265 . 7 1 1 A 32 32 ALA H H 32 7.311 7.935 -0.624 1
1 266 . 7 1 1 A 32 32 ALA HA H 32 3.859 3.852 0.007 1
1 270 . 7 1 1 A 32 32 ALA C C 32 178.384 179.940 -1.556 1
1 271 . 7 1 1 A 32 32 ALA CA C 32 54.697 55.147 -0.450 1
1 272 . 7 1 1 A 32 32 ALA CB C 32 15.999 18.733 -2.734 1
1 273 . 7 1 1 A 32 32 ALA N N 32 121.277 121.887 -0.610 1
1 274 . 7 1 1 A 33 33 ILE H H 33 8.114 8.160 -0.046 1
1 275 . 7 1 1 A 33 33 ILE HA H 33 3.469 3.250 0.219 1
1 285 . 7 1 1 A 33 33 ILE C C 33 176.970 177.825 -0.855 1
1 286 . 7 1 1 A 33 33 ILE CA C 33 64.857 65.286 -0.429 1
1 287 . 7 1 1 A 33 33 ILE CB C 33 38.669 37.288 1.381 1
1 291 . 7 1 1 A 33 33 ILE N N 33 118.905 117.844 1.061 1
1 292 . 7 1 1 A 34 34 GLN H H 34 7.790 8.392 -0.602 1
1 293 . 7 1 1 A 34 34 GLN HA H 34 3.853 3.894 -0.041 1
1 296 . 7 1 1 A 34 34 GLN C C 34 178.320 178.285 0.035 1
1 297 . 7 1 1 A 34 34 GLN CA C 34 57.696 59.059 -1.363 1
1 298 . 7 1 1 A 34 34 GLN CB C 34 28.457 28.086 0.371 1
1 299 . 7 1 1 A 34 34 GLN N N 34 115.405 119.965 -4.560 1
1 300 . 7 1 1 A 35 35 LEU H H 35 7.092 7.436 -0.344 1
1 301 . 7 1 1 A 35 35 LEU HA H 35 4.354 4.031 0.323 1
1 311 . 7 1 1 A 35 35 LEU C C 35 177.841 177.650 0.191 1
1 312 . 7 1 1 A 35 35 LEU CA C 35 56.273 56.952 -0.679 1
1 313 . 7 1 1 A 35 35 LEU CB C 35 43.490 42.326 1.164 1
1 317 . 7 1 1 A 35 35 LEU N N 35 116.678 118.111 -1.433 1
1 318 . 7 1 1 A 36 36 ASP H H 36 8.367 7.692 0.675 1
1 319 . 7 1 1 A 36 36 ASP CA C 36 52.138 51.959 0.179 1
1 320 . 7 1 1 A 36 36 ASP CB C 36 41.549 42.592 -1.043 1
1 321 . 7 1 1 A 36 36 ASP N N 36 117.682 114.369 3.313 1
1 322 . 7 1 1 A 37 37 PRO HA H 37 4.940 4.984 -0.044 1
1 329 . 7 1 1 A 37 37 PRO C C 37 178.088 176.459 1.629 1
1 330 . 7 1 1 A 37 37 PRO CA C 37 64.272 62.353 1.919 1
1 331 . 7 1 1 A 37 37 PRO CB C 37 32.155 31.847 0.308 1
1 334 . 7 1 1 A 38 38 GLU H H 38 7.853 9.409 -1.556 1
1 335 . 7 1 1 A 38 38 GLU HA H 38 4.436 4.736 -0.300 1
1 337 . 7 1 1 A 38 38 GLU C C 38 174.874 175.676 -0.802 1
1 338 . 7 1 1 A 38 38 GLU CA C 38 56.200 56.942 -0.742 1
1 339 . 7 1 1 A 38 38 GLU CB C 38 29.589 33.014 -3.425 1
1 340 . 7 1 1 A 38 38 GLU N N 38 116.933 121.987 -5.054 1
1 341 . 7 1 1 A 39 39 GLU H H 39 6.992 8.035 -1.043 1
1 342 . 7 1 1 A 39 39 GLU HA H 39 4.313 4.406 -0.093 1
1 343 . 7 1 1 A 39 39 GLU C C 39 176.082 175.699 0.383 1
1 344 . 7 1 1 A 39 39 GLU CA C 39 54.591 54.428 0.163 1
1 345 . 7 1 1 A 39 39 GLU CB C 39 29.177 27.840 1.337 1
1 346 . 7 1 1 A 39 39 GLU N N 39 119.900 120.858 -0.958 1
1 347 . 7 1 1 A 40 40 SER H H 40 8.458 8.391 0.067 1
1 348 . 7 1 1 A 40 40 SER HA H 40 4.103 4.002 0.101 1
1 350 . 7 1 1 A 40 40 SER C C 40 176.323 176.970 -0.647 1
1 351 . 7 1 1 A 40 40 SER CA C 40 61.929 61.256 0.673 1
1 352 . 7 1 1 A 40 40 SER CB C 40 63.232 62.978 0.254 1
1 353 . 7 1 1 A 40 40 SER N N 40 125.619 121.183 4.436 1
1 354 . 7 1 1 A 41 41 LYS H H 41 9.248 7.838 1.410 1
1 355 . 7 1 1 A 41 41 LYS HA H 41 4.068 4.165 -0.097 1
1 358 . 7 1 1 A 41 41 LYS C C 41 177.520 179.061 -1.541 1
1 359 . 7 1 1 A 41 41 LYS CA C 41 59.259 58.755 0.504 1
1 360 . 7 1 1 A 41 41 LYS CB C 41 31.161 32.333 -1.172 1
1 361 . 7 1 1 A 41 41 LYS N N 41 119.120 120.886 -1.766 1
1 362 . 7 1 1 A 42 42 TYR H H 42 6.924 7.650 -0.726 1
1 363 . 7 1 1 A 42 42 TYR HA H 42 4.301 4.381 -0.080 1
1 368 . 7 1 1 A 42 42 TYR C C 42 177.269 178.372 -1.103 1
1 369 . 7 1 1 A 42 42 TYR CA C 42 57.603 60.363 -2.760 1
1 370 . 7 1 1 A 42 42 TYR CB C 42 37.063 38.062 -0.999 1
1 371 . 7 1 1 A 42 42 TYR N N 42 118.666 118.302 0.364 1
1 372 . 7 1 1 A 43 43 TRP H H 43 6.662 7.285 -0.623 1
1 373 . 7 1 1 A 43 43 TRP HA H 43 3.910 4.368 -0.458 1
1 378 . 7 1 1 A 43 43 TRP C C 43 178.823 178.731 0.092 1
1 379 . 7 1 1 A 43 43 TRP CA C 43 59.953 60.007 -0.054 1
1 380 . 7 1 1 A 43 43 TRP CB C 43 30.759 29.273 1.486 1
1 381 . 7 1 1 A 43 43 TRP N N 43 118.990 120.088 -1.098 1
1 383 . 7 1 1 A 44 44 LEU H H 44 8.412 8.682 -0.270 1
1 384 . 7 1 1 A 44 44 LEU HA H 44 4.112 4.087 0.025 1
1 394 . 7 1 1 A 44 44 LEU C C 44 177.758 178.729 -0.971 1
1 395 . 7 1 1 A 44 44 LEU CA C 44 58.613 58.181 0.432 1
1 396 . 7 1 1 A 44 44 LEU CB C 44 42.004 41.311 0.693 1
1 400 . 7 1 1 A 44 44 LEU N N 44 118.970 121.950 -2.980 1
1 401 . 7 1 1 A 45 45 MET H H 45 7.403 8.213 -0.810 1
1 402 . 7 1 1 A 45 45 MET HA H 45 4.270 4.103 0.167 1
1 403 . 7 1 1 A 45 45 MET C C 45 177.749 178.330 -0.581 1
1 404 . 7 1 1 A 45 45 MET CA C 45 55.159 58.866 -3.707 1
1 405 . 7 1 1 A 45 45 MET CB C 45 26.925 32.932 -6.007 1
1 406 . 7 1 1 A 45 45 MET N N 45 113.618 117.358 -3.740 1
1 407 . 7 1 1 A 46 46 LYS H H 46 7.623 7.796 -0.173 1
1 408 . 7 1 1 A 46 46 LYS HA H 46 3.906 3.523 0.383 1
1 409 . 7 1 1 A 46 46 LYS C C 46 178.056 179.199 -1.143 1
1 410 . 7 1 1 A 46 46 LYS CA C 46 61.394 59.513 1.881 1
1 411 . 7 1 1 A 46 46 LYS CB C 46 32.442 31.769 0.673 1
1 412 . 7 1 1 A 46 46 LYS N N 46 119.840 120.600 -0.760 1
1 413 . 7 1 1 A 47 47 GLY H H 47 8.495 8.102 0.393 1
1 414 . 7 1 1 A 47 47 GLY HA2 H 47 3.730 3.765 -0.035 1
1 415 . 7 1 1 A 47 47 GLY HA3 H 47 3.612 3.793 -0.181 1
1 416 . 7 1 1 A 47 47 GLY C C 47 175.340 175.654 -0.314 1
1 417 . 7 1 1 A 47 47 GLY CA C 47 47.689 47.465 0.224 1
1 418 . 7 1 1 A 47 47 GLY N N 47 105.741 107.313 -1.572 1
1 419 . 7 1 1 A 48 48 LYS H H 48 8.760 7.643 1.117 1
1 420 . 7 1 1 A 48 48 LYS HA H 48 3.969 4.112 -0.143 1
1 428 . 7 1 1 A 48 48 LYS C C 48 180.425 179.083 1.342 1
1 429 . 7 1 1 A 48 48 LYS CA C 48 60.506 59.737 0.769 1
1 430 . 7 1 1 A 48 48 LYS CB C 48 30.964 32.137 -1.173 1
1 433 . 7 1 1 A 48 48 LYS N N 48 122.568 121.991 0.577 1
1 434 . 7 1 1 A 49 49 ALA H H 49 8.668 7.882 0.786 1
1 435 . 7 1 1 A 49 49 ALA HA H 49 4.084 3.622 0.462 1
1 439 . 7 1 1 A 49 49 ALA C C 49 178.870 179.857 -0.987 1
1 440 . 7 1 1 A 49 49 ALA CA C 49 55.777 54.977 0.800 1
1 441 . 7 1 1 A 49 49 ALA CB C 49 17.702 18.657 -0.955 1
1 442 . 7 1 1 A 49 49 ALA N N 49 124.484 122.402 2.082 1
1 443 . 7 1 1 A 50 50 LEU H H 50 8.192 8.083 0.109 1
1 444 . 7 1 1 A 50 50 LEU HA H 50 3.771 3.890 -0.119 1
1 454 . 7 1 1 A 50 50 LEU C C 50 179.839 178.790 1.049 1
1 455 . 7 1 1 A 50 50 LEU CA C 50 58.727 57.754 0.973 1
1 456 . 7 1 1 A 50 50 LEU CB C 50 40.549 42.027 -1.478 1
1 460 . 7 1 1 A 50 50 LEU N N 50 118.843 118.038 0.805 1
1 461 . 7 1 1 A 51 51 TYR H H 51 9.282 8.337 0.945 1
1 462 . 7 1 1 A 51 51 TYR HA H 51 3.557 3.954 -0.397 1
1 469 . 7 1 1 A 51 51 TYR C C 51 179.177 178.020 1.157 1
1 470 . 7 1 1 A 51 51 TYR CA C 51 61.878 62.238 -0.360 1
1 471 . 7 1 1 A 51 51 TYR CB C 51 38.249 38.541 -0.292 1
1 472 . 7 1 1 A 51 51 TYR N N 51 122.719 119.491 3.228 1
1 473 . 7 1 1 A 52 52 ASN H H 52 7.882 7.872 0.010 1
1 474 . 7 1 1 A 52 52 ASN HA H 52 4.084 3.721 0.363 1
1 477 . 7 1 1 A 52 52 ASN C C 52 175.615 176.456 -0.841 1
1 478 . 7 1 1 A 52 52 ASN CA C 52 55.964 55.581 0.383 1
1 479 . 7 1 1 A 52 52 ASN CB C 52 37.219 38.671 -1.452 1
1 480 . 7 1 1 A 52 52 ASN N N 52 120.327 117.475 2.852 1
1 481 . 7 1 1 A 53 53 LEU H H 53 7.178 7.178 0.000 1
1 482 . 7 1 1 A 53 53 LEU HA H 53 4.299 4.167 0.132 1
1 492 . 7 1 1 A 53 53 LEU C C 53 175.095 176.246 -1.151 1
1 493 . 7 1 1 A 53 53 LEU CA C 53 54.112 54.579 -0.467 1
1 494 . 7 1 1 A 53 53 LEU CB C 53 42.548 41.853 0.695 1
1 498 . 7 1 1 A 53 53 LEU N N 53 119.827 117.214 2.613 1
1 499 . 7 1 1 A 54 54 GLU H H 54 7.515 7.656 -0.141 1
1 500 . 7 1 1 A 54 54 GLU C C 54 175.118 174.647 0.471 1
1 501 . 7 1 1 A 54 54 GLU CA C 54 56.811 57.554 -0.743 1
1 502 . 7 1 1 A 54 54 GLU CB C 54 25.944 29.232 -3.288 1
1 503 . 7 1 1 A 54 54 GLU N N 54 112.799 118.149 -5.350 1
1 504 . 7 1 1 A 55 55 ARG H H 55 7.719 7.595 0.124 1
1 505 . 7 1 1 A 55 55 ARG HA H 55 4.407 4.411 -0.004 1
1 512 . 7 1 1 A 55 55 ARG C C 55 176.820 175.732 1.088 1
1 513 . 7 1 1 A 55 55 ARG CA C 55 54.493 53.446 1.047 1
1 514 . 7 1 1 A 55 55 ARG CB C 55 29.041 28.731 0.310 1
1 517 . 7 1 1 A 55 55 ARG N N 55 122.369 120.123 2.246 1
1 518 . 7 1 1 A 56 56 TYR H H 56 6.403 7.850 -1.447 1
1 519 . 7 1 1 A 56 56 TYR HA H 56 3.879 4.324 -0.445 1
1 526 . 7 1 1 A 56 56 TYR C C 56 177.879 178.238 -0.359 1
1 527 . 7 1 1 A 56 56 TYR CA C 56 62.080 60.564 1.516 1
1 528 . 7 1 1 A 56 56 TYR CB C 56 38.443 38.124 0.319 1
1 529 . 7 1 1 A 56 56 TYR N N 56 117.128 121.858 -4.730 1
1 530 . 7 1 1 A 57 57 GLU H H 57 9.032 8.312 0.720 1
1 531 . 7 1 1 A 57 57 GLU HA H 57 3.865 3.939 -0.074 1
1 532 . 7 1 1 A 57 57 GLU C C 57 179.417 179.157 0.260 1
1 533 . 7 1 1 A 57 57 GLU CA C 57 60.722 59.916 0.806 1
1 534 . 7 1 1 A 57 57 GLU CB C 57 29.124 29.620 -0.496 1
1 535 . 7 1 1 A 57 57 GLU N N 57 118.981 120.880 -1.899 1
1 536 . 7 1 1 A 58 58 GLU H H 58 8.286 8.030 0.256 1
1 537 . 7 1 1 A 58 58 GLU HA H 58 4.050 4.044 0.006 1
1 538 . 7 1 1 A 58 58 GLU C C 58 179.476 178.985 0.491 1
1 539 . 7 1 1 A 58 58 GLU CA C 58 59.289 58.922 0.367 1
1 540 . 7 1 1 A 58 58 GLU CB C 58 31.234 29.927 1.307 1
1 541 . 7 1 1 A 58 58 GLU N N 58 119.123 120.610 -1.487 1
1 542 . 7 1 1 A 59 59 ALA H H 59 8.131 7.770 0.361 1
1 543 . 7 1 1 A 59 59 ALA HA H 59 3.786 4.052 -0.266 1
1 547 . 7 1 1 A 59 59 ALA C C 59 178.281 180.137 -1.856 1
1 548 . 7 1 1 A 59 59 ALA CA C 59 56.324 55.337 0.987 1
1 549 . 7 1 1 A 59 59 ALA CB C 59 17.444 18.271 -0.827 1
1 550 . 7 1 1 A 59 59 ALA N N 59 124.009 122.677 1.332 1
1 551 . 7 1 1 A 60 60 VAL H H 60 8.079 8.037 0.042 1
1 552 . 7 1 1 A 60 60 VAL HA H 60 3.439 3.411 0.028 1
1 560 . 7 1 1 A 60 60 VAL C C 60 177.323 177.809 -0.486 1
1 561 . 7 1 1 A 60 60 VAL CA C 60 67.410 66.816 0.594 1
1 562 . 7 1 1 A 60 60 VAL CB C 60 31.259 31.491 -0.232 1
1 565 . 7 1 1 A 60 60 VAL N N 60 116.647 118.371 -1.724 1
1 566 . 7 1 1 A 61 61 ASP H H 61 7.737 8.122 -0.385 1
1 567 . 7 1 1 A 61 61 ASP HA H 61 4.446 4.403 0.043 1
1 570 . 7 1 1 A 61 61 ASP C C 61 179.986 178.321 1.665 1
1 571 . 7 1 1 A 61 61 ASP CA C 61 58.123 57.789 0.334 1
1 572 . 7 1 1 A 61 61 ASP CB C 61 40.160 42.335 -2.175 1
1 573 . 7 1 1 A 61 61 ASP N N 61 119.276 120.512 -1.236 1
1 574 . 7 1 1 A 62 62 CYS H H 62 7.387 7.925 -0.538 1
1 575 . 7 1 1 A 62 62 CYS HA H 62 4.337 4.168 0.169 1
1 578 . 7 1 1 A 62 62 CYS C C 62 176.276 176.768 -0.492 1
1 579 . 7 1 1 A 62 62 CYS CA C 62 63.585 63.798 -0.213 1
1 580 . 7 1 1 A 62 62 CYS CB C 62 26.441 27.908 -1.467 1
1 581 . 7 1 1 A 62 62 CYS N N 62 118.794 117.496 1.298 1
1 582 . 7 1 1 A 63 63 TYR H H 63 7.391 8.472 -1.081 1
1 583 . 7 1 1 A 63 63 TYR HA H 63 4.249 4.035 0.214 1
1 588 . 7 1 1 A 63 63 TYR C C 63 178.113 177.230 0.883 1
1 589 . 7 1 1 A 63 63 TYR CA C 63 57.994 62.016 -4.022 1
1 590 . 7 1 1 A 63 63 TYR CB C 63 36.288 38.703 -2.415 1
1 591 . 7 1 1 A 63 63 TYR N N 63 119.775 122.452 -2.677 1
1 592 . 7 1 1 A 64 64 ASN H H 64 9.121 8.266 0.855 1
1 593 . 7 1 1 A 64 64 ASN HA H 64 4.328 4.319 0.009 1
1 596 . 7 1 1 A 64 64 ASN C C 64 177.346 177.346 0.000 1
1 597 . 7 1 1 A 64 64 ASN CA C 64 54.809 56.247 -1.438 1
1 598 . 7 1 1 A 64 64 ASN CB C 64 36.904 37.884 -0.980 1
1 599 . 7 1 1 A 64 64 ASN N N 64 117.343 117.063 0.280 1
1 600 . 7 1 1 A 65 65 TYR H H 65 7.635 8.140 -0.505 1
1 601 . 7 1 1 A 65 65 TYR HA H 65 3.660 4.146 -0.486 1
1 608 . 7 1 1 A 65 65 TYR C C 65 178.599 177.125 1.474 1
1 609 . 7 1 1 A 65 65 TYR CA C 65 62.267 61.370 0.897 1
1 610 . 7 1 1 A 65 65 TYR CB C 65 37.886 38.755 -0.869 1
1 611 . 7 1 1 A 65 65 TYR N N 65 124.181 122.927 1.254 1
1 612 . 7 1 1 A 66 66 VAL H H 66 7.093 7.919 -0.826 1
1 613 . 7 1 1 A 66 66 VAL HA H 66 3.316 3.775 -0.459 1
1 621 . 7 1 1 A 66 66 VAL C C 66 177.070 178.099 -1.029 1
1 622 . 7 1 1 A 66 66 VAL CA C 66 65.944 66.923 -0.979 1
1 623 . 7 1 1 A 66 66 VAL CB C 66 31.613 31.650 -0.037 1
1 626 . 7 1 1 A 66 66 VAL N N 66 119.247 119.020 0.227 1
1 627 . 7 1 1 A 67 67 ILE H H 67 7.640 7.892 -0.252 1
1 628 . 7 1 1 A 67 67 ILE HA H 67 3.056 3.631 -0.575 1
1 638 . 7 1 1 A 67 67 ILE C C 67 176.822 178.489 -1.667 1
1 639 . 7 1 1 A 67 67 ILE CA C 67 64.902 64.401 0.501 1
1 640 . 7 1 1 A 67 67 ILE CB C 67 39.444 36.942 2.502 1
1 644 . 7 1 1 A 67 67 ILE N N 67 117.814 119.554 -1.740 1
1 645 . 7 1 1 A 68 68 ASN H H 68 8.587 8.433 0.154 1
1 646 . 7 1 1 A 68 68 ASN HA H 68 4.564 4.530 0.034 1
1 649 . 7 1 1 A 68 68 ASN C C 68 176.007 177.456 -1.449 1
1 650 . 7 1 1 A 68 68 ASN CA C 68 54.569 55.383 -0.814 1
1 651 . 7 1 1 A 68 68 ASN CB C 68 39.424 39.116 0.308 1
1 652 . 7 1 1 A 68 68 ASN N N 68 112.692 120.235 -7.543 1
1 653 . 7 1 1 A 69 69 VAL H H 69 7.607 7.955 -0.348 1
1 654 . 7 1 1 A 69 69 VAL HA H 69 3.813 3.542 0.271 1
1 661 . 7 1 1 A 69 69 VAL C C 69 177.490 175.924 1.566 1
1 662 . 7 1 1 A 69 69 VAL CA C 69 64.763 66.377 -1.614 1
1 663 . 7 1 1 A 69 69 VAL CB C 69 30.804 31.674 -0.870 1
1 666 . 7 1 1 A 69 69 VAL N N 69 119.569 118.749 0.820 1
1 667 . 7 1 1 A 70 70 ILE H H 70 7.489 7.706 -0.217 1
1 668 . 7 1 1 A 70 70 ILE HA H 70 3.635 4.367 -0.732 1
1 678 . 7 1 1 A 70 70 ILE C C 70 176.523 176.388 0.135 1
1 679 . 7 1 1 A 70 70 ILE CA C 70 64.090 60.445 3.645 1
1 680 . 7 1 1 A 70 70 ILE CB C 70 37.026 38.864 -1.838 1
1 684 . 7 1 1 A 70 70 ILE N N 70 119.276 120.589 -1.313 1
1 685 . 7 1 1 A 71 71 GLU H H 71 6.641 8.943 -2.302 1
1 686 . 7 1 1 A 71 71 GLU HA H 71 3.865 3.976 -0.111 1
1 690 . 7 1 1 A 71 71 GLU C C 71 176.415 176.678 -0.263 1
1 691 . 7 1 1 A 71 71 GLU CA C 71 57.229 59.690 -2.461 1
1 692 . 7 1 1 A 71 71 GLU CB C 71 26.142 29.530 -3.388 1
1 694 . 7 1 1 A 71 71 GLU N N 71 110.179 129.306 -19.127 1
1 695 . 7 1 1 A 72 72 ASP H H 72 7.744 7.969 -0.225 1
1 696 . 7 1 1 A 72 72 ASP HA H 72 4.813 4.722 0.091 1
1 699 . 7 1 1 A 72 72 ASP C C 72 176.230 176.807 -0.577 1
1 700 . 7 1 1 A 72 72 ASP CA C 72 52.203 53.977 -1.774 1
1 701 . 7 1 1 A 72 72 ASP CB C 72 39.256 39.526 -0.270 1
1 702 . 7 1 1 A 72 72 ASP N N 72 121.733 119.088 2.645 1
1 703 . 7 1 1 A 73 73 GLU H H 73 7.510 8.444 -0.934 1
1 704 . 7 1 1 A 73 73 GLU HA H 73 3.946 4.697 -0.751 1
1 709 . 7 1 1 A 73 73 GLU C C 73 176.745 176.447 0.298 1
1 710 . 7 1 1 A 73 73 GLU CA C 73 58.303 56.712 1.591 1
1 711 . 7 1 1 A 73 73 GLU CB C 73 30.664 29.790 0.874 1
1 713 . 7 1 1 A 73 73 GLU N N 73 116.724 121.823 -5.099 1
1 714 . 7 1 1 A 74 74 TYR H H 74 8.794 7.887 0.907 1
1 715 . 7 1 1 A 74 74 TYR HA H 74 4.875 4.446 0.429 1
1 722 . 7 1 1 A 74 74 TYR C C 74 174.879 174.314 0.565 1
1 723 . 7 1 1 A 74 74 TYR CA C 74 56.732 56.213 0.519 1
1 724 . 7 1 1 A 74 74 TYR CB C 74 37.069 36.906 0.163 1
1 725 . 7 1 1 A 74 74 TYR N N 74 120.080 122.152 -2.072 1
1 726 . 7 1 1 A 75 75 ASN H H 75 7.237 7.512 -0.275 1
1 727 . 7 1 1 A 75 75 ASN HA H 75 4.601 4.949 -0.348 1
1 730 . 7 1 1 A 75 75 ASN C C 75 175.146 175.313 -0.167 1
1 731 . 7 1 1 A 75 75 ASN CA C 75 53.124 52.231 0.893 1
1 732 . 7 1 1 A 75 75 ASN CB C 75 37.755 38.859 -1.104 1
1 733 . 7 1 1 A 75 75 ASN N N 75 118.665 121.017 -2.352 1
1 734 . 7 1 1 A 76 76 LYS H H 76 8.672 8.601 0.071 1
1 735 . 7 1 1 A 76 76 LYS HA H 76 4.077 3.905 0.172 1
1 742 . 7 1 1 A 76 76 LYS C C 76 177.773 178.350 -0.577 1
1 743 . 7 1 1 A 76 76 LYS CA C 76 60.060 59.542 0.518 1
1 744 . 7 1 1 A 76 76 LYS CB C 76 37.827 32.141 5.686 1
1 748 . 7 1 1 A 76 76 LYS N N 76 127.868 125.926 1.942 1
1 749 . 7 1 1 A 77 77 ASP H H 77 7.946 8.022 -0.076 1
1 750 . 7 1 1 A 77 77 ASP HA H 77 4.414 4.471 -0.057 1
1 753 . 7 1 1 A 77 77 ASP C C 77 179.265 178.886 0.379 1
1 754 . 7 1 1 A 77 77 ASP CA C 77 57.127 57.221 -0.094 1
1 755 . 7 1 1 A 77 77 ASP CB C 77 40.634 41.263 -0.629 1
1 756 . 7 1 1 A 77 77 ASP N N 77 117.883 119.935 -2.052 1
1 757 . 7 1 1 A 78 78 VAL H H 78 7.653 8.168 -0.515 1
1 758 . 7 1 1 A 78 78 VAL HA H 78 3.282 3.644 -0.362 1
1 766 . 7 1 1 A 78 78 VAL C C 78 176.624 178.387 -1.763 1
1 767 . 7 1 1 A 78 78 VAL CA C 78 65.531 66.694 -1.163 1
1 768 . 7 1 1 A 78 78 VAL CB C 78 31.290 31.795 -0.505 1
1 771 . 7 1 1 A 78 78 VAL N N 78 121.259 120.168 1.091 1
1 772 . 7 1 1 A 79 79 TRP H H 79 7.626 8.660 -1.034 1
1 773 . 7 1 1 A 79 79 TRP HA H 79 4.107 4.640 -0.533 1
1 778 . 7 1 1 A 79 79 TRP C C 79 177.932 178.787 -0.855 1
1 779 . 7 1 1 A 79 79 TRP CA C 79 61.491 60.230 1.261 1
1 780 . 7 1 1 A 79 79 TRP CB C 79 28.665 28.794 -0.129 1
1 781 . 7 1 1 A 79 79 TRP N N 79 120.388 120.356 0.032 1
1 783 . 7 1 1 A 80 80 ALA H H 80 8.296 8.525 -0.229 1
1 784 . 7 1 1 A 80 80 ALA HA H 80 3.898 3.972 -0.074 1
1 788 . 7 1 1 A 80 80 ALA C C 80 176.556 179.833 -3.277 1
1 789 . 7 1 1 A 80 80 ALA CA C 80 55.158 55.335 -0.177 1
1 790 . 7 1 1 A 80 80 ALA CB C 80 18.155 18.248 -0.093 1
1 791 . 7 1 1 A 80 80 ALA N N 80 120.453 121.423 -0.970 1
1 792 . 7 1 1 A 81 81 ALA H H 81 7.405 8.124 -0.719 1
1 793 . 7 1 1 A 81 81 ALA HA H 81 3.837 3.998 -0.161 1
1 797 . 7 1 1 A 81 81 ALA C C 81 180.646 179.066 1.580 1
1 798 . 7 1 1 A 81 81 ALA CA C 81 55.028 55.268 -0.240 1
1 799 . 7 1 1 A 81 81 ALA CB C 81 15.649 18.250 -2.601 1
1 800 . 7 1 1 A 81 81 ALA N N 81 120.915 120.738 0.177 1
1 801 . 7 1 1 A 82 82 LYS H H 82 8.244 7.845 0.399 1
1 802 . 7 1 1 A 82 82 LYS HA H 82 3.853 3.756 0.097 1
1 811 . 7 1 1 A 82 82 LYS C C 82 177.176 178.246 -1.070 1
1 812 . 7 1 1 A 82 82 LYS CA C 82 60.577 59.052 1.525 1
1 813 . 7 1 1 A 82 82 LYS CB C 82 32.243 31.894 0.349 1
1 816 . 7 1 1 A 82 82 LYS N N 82 121.979 118.518 3.461 1
1 817 . 7 1 1 A 83 83 ALA H H 83 8.422 7.797 0.625 1
1 818 . 7 1 1 A 83 83 ALA HA H 83 3.894 3.983 -0.089 1
1 822 . 7 1 1 A 83 83 ALA C C 83 178.746 179.944 -1.198 1
1 823 . 7 1 1 A 83 83 ALA CA C 83 56.268 55.107 1.161 1
1 824 . 7 1 1 A 83 83 ALA CB C 83 17.700 18.273 -0.573 1
1 825 . 7 1 1 A 83 83 ALA N N 83 121.419 121.715 -0.296 1
1 826 . 7 1 1 A 84 84 ASP H H 84 7.481 7.906 -0.425 1
1 827 . 7 1 1 A 84 84 ASP HA H 84 4.377 4.318 0.059 1
1 828 . 7 1 1 A 84 84 ASP C C 84 178.394 177.833 0.561 1
1 829 . 7 1 1 A 84 84 ASP CA C 84 56.946 56.731 0.215 1
1 830 . 7 1 1 A 84 84 ASP CB C 84 40.351 40.061 0.290 1
1 831 . 7 1 1 A 84 84 ASP N N 84 114.693 119.229 -4.536 1
1 832 . 7 1 1 A 85 85 ALA H H 85 7.680 6.955 0.725 1
1 833 . 7 1 1 A 85 85 ALA HA H 85 4.521 3.151 1.370 1
1 837 . 7 1 1 A 85 85 ALA C C 85 179.100 180.227 -1.127 1
1 838 . 7 1 1 A 85 85 ALA CA C 85 55.819 54.516 1.303 1
1 839 . 7 1 1 A 85 85 ALA CB C 85 19.257 17.907 1.350 1
1 840 . 7 1 1 A 85 85 ALA N N 85 119.105 122.524 -3.419 1
1 841 . 7 1 1 A 86 86 LEU H H 86 8.516 8.222 0.294 1
1 842 . 7 1 1 A 86 86 LEU HA H 86 3.919 3.972 -0.053 1
1 852 . 7 1 1 A 86 86 LEU C C 86 178.767 178.088 0.679 1
1 853 . 7 1 1 A 86 86 LEU CA C 86 48.892 57.403 -8.511 1
1 854 . 7 1 1 A 86 86 LEU CB C 86 43.011 41.145 1.866 1
1 858 . 7 1 1 A 86 86 LEU N N 86 115.208 118.627 -3.419 1
1 859 . 7 1 1 A 87 87 ARG H H 87 7.329 7.624 -0.295 1
1 860 . 7 1 1 A 87 87 ARG HA H 87 3.851 4.071 -0.220 1
1 867 . 7 1 1 A 87 87 ARG C C 87 176.800 176.095 0.705 1
1 868 . 7 1 1 A 87 87 ARG CA C 87 58.315 56.581 1.734 1
1 869 . 7 1 1 A 87 87 ARG CB C 87 27.514 30.302 -2.788 1
1 872 . 7 1 1 A 87 87 ARG N N 87 115.227 118.939 -3.712 1
1 873 . 7 1 1 A 88 88 TYR H H 88 7.201 7.673 -0.472 1
1 874 . 7 1 1 A 88 88 TYR HA H 88 4.193 4.645 -0.452 1
1 881 . 7 1 1 A 88 88 TYR C C 88 174.958 174.004 0.954 1
1 882 . 7 1 1 A 88 88 TYR CA C 88 58.463 57.443 1.020 1
1 883 . 7 1 1 A 88 88 TYR CB C 88 38.457 39.542 -1.085 1
1 884 . 7 1 1 A 88 88 TYR N N 88 115.558 119.253 -3.695 1
1 885 . 7 1 1 A 89 89 ILE H H 89 7.374 6.966 0.408 1
1 886 . 7 1 1 A 89 89 ILE HA H 89 4.175 4.783 -0.608 1
1 895 . 7 1 1 A 89 89 ILE C C 89 174.900 174.108 0.792 1
1 896 . 7 1 1 A 89 89 ILE CA C 89 60.978 59.521 1.457 1
1 897 . 7 1 1 A 89 89 ILE CB C 89 38.945 41.914 -2.969 1
1 901 . 7 1 1 A 89 89 ILE N N 89 122.120 119.327 2.793 1
1 902 . 7 1 1 A 90 90 GLU H H 90 8.655 8.396 0.259 1
1 903 . 7 1 1 A 90 90 GLU HA H 90 4.159 4.614 -0.455 1
1 905 . 7 1 1 A 90 90 GLU CA C 90 57.914 55.907 2.007 1
1 906 . 7 1 1 A 90 90 GLU CB C 90 29.894 31.325 -1.431 1
1 907 . 7 1 1 A 90 90 GLU N N 90 128.417 127.988 0.429 1
1 908 . 7 1 1 A 91 91 GLY H H 91 9.089 8.280 0.809 1
1 909 . 7 1 1 A 91 91 GLY HA2 H 91 4.293 4.128 0.165 1
1 910 . 7 1 1 A 91 91 GLY HA3 H 91 4.039 4.134 -0.095 1
1 911 . 7 1 1 A 91 91 GLY CA C 91 45.756 45.319 0.437 1
1 912 . 7 1 1 A 91 91 GLY N N 91 112.760 109.393 3.367 1
1 913 . 7 1 1 A 93 93 GLU C C 93 176.315 175.127 1.188 1
1 914 . 7 1 1 A 94 94 VAL H H 94 8.288 8.632 -0.344 1
1 915 . 7 1 1 A 94 94 VAL HA H 94 3.800 3.985 -0.185 1
1 920 . 7 1 1 A 94 94 VAL C C 94 178.292 175.725 2.567 1
1 921 . 7 1 1 A 94 94 VAL CA C 94 56.374 63.138 -6.764 1
1 922 . 7 1 1 A 94 94 VAL CB C 94 31.630 30.651 0.979 1
1 923 . 7 1 1 A 94 94 VAL N N 94 119.837 124.786 -4.949 1
1 924 . 7 1 1 A 95 95 GLU H H 95 8.207 8.331 -0.124 1
1 925 . 7 1 1 A 95 95 GLU HA H 95 3.931 3.996 -0.065 1
1 927 . 7 1 1 A 95 95 GLU C C 95 179.514 178.400 1.114 1
1 928 . 7 1 1 A 95 95 GLU CA C 95 60.215 59.454 0.761 1
1 929 . 7 1 1 A 95 95 GLU CB C 95 29.419 29.568 -0.149 1
1 930 . 7 1 1 A 95 95 GLU N N 95 120.805 127.532 -6.727 1
1 931 . 7 1 1 A 96 96 ALA H H 96 8.839 8.151 0.688 1
1 932 . 7 1 1 A 96 96 ALA HA H 96 4.029 3.976 0.053 1
1 936 . 7 1 1 A 96 96 ALA C C 96 179.047 179.861 -0.814 1
1 937 . 7 1 1 A 96 96 ALA CA C 96 54.866 54.887 -0.021 1
1 938 . 7 1 1 A 96 96 ALA CB C 96 17.667 18.266 -0.599 1
1 939 . 7 1 1 A 96 96 ALA N N 96 123.226 122.144 1.082 1
1 940 . 7 1 1 A 97 97 GLU H H 97 7.763 7.436 0.327 1
1 941 . 7 1 1 A 97 97 GLU HA H 97 4.055 4.123 -0.068 1
1 943 . 7 1 1 A 97 97 GLU C C 97 178.015 179.014 -0.999 1
1 944 . 7 1 1 A 97 97 GLU CA C 97 59.138 58.592 0.546 1
1 945 . 7 1 1 A 97 97 GLU CB C 97 29.588 29.558 0.030 1
1 946 . 7 1 1 A 97 97 GLU N N 97 118.606 117.877 0.729 1
1 947 . 7 1 1 A 98 98 ILE H H 98 8.118 7.949 0.169 1
1 948 . 7 1 1 A 98 98 ILE HA H 98 3.657 3.722 -0.065 1
1 958 . 7 1 1 A 98 98 ILE C C 98 178.015 177.904 0.111 1
1 959 . 7 1 1 A 98 98 ILE CA C 98 64.831 65.755 -0.924 1
1 960 . 7 1 1 A 98 98 ILE CB C 98 38.402 38.335 0.067 1
1 964 . 7 1 1 A 98 98 ILE N N 98 122.339 120.082 2.257 1
1 965 . 7 1 1 A 99 99 ALA H H 99 8.117 8.197 -0.080 1
1 966 . 7 1 1 A 99 99 ALA HA H 99 4.210 4.080 0.130 1
1 970 . 7 1 1 A 99 99 ALA C C 99 178.762 179.215 -0.453 1
1 971 . 7 1 1 A 99 99 ALA CA C 99 55.360 55.427 -0.067 1
1 972 . 7 1 1 A 99 99 ALA CB C 99 17.499 17.953 -0.454 1
1 973 . 7 1 1 A 99 99 ALA N N 99 122.357 122.347 0.010 1
1 974 . 7 1 1 A 100 100 GLU H H 100 8.345 8.244 0.101 1
1 975 . 7 1 1 A 100 100 GLU HA H 100 3.787 4.022 -0.235 1
1 978 . 7 1 1 A 100 100 GLU C C 100 178.463 178.515 -0.052 1
1 979 . 7 1 1 A 100 100 GLU CA C 100 59.063 59.257 -0.194 1
1 980 . 7 1 1 A 100 100 GLU CB C 100 29.670 29.357 0.313 1
1 981 . 7 1 1 A 100 100 GLU N N 100 118.391 117.870 0.521 1
1 982 . 7 1 1 A 101 101 ALA H H 101 7.693 8.610 -0.917 1
1 983 . 7 1 1 A 101 101 ALA HA H 101 4.111 4.018 0.093 1
1 987 . 7 1 1 A 101 101 ALA C C 101 180.967 179.401 1.566 1
1 988 . 7 1 1 A 101 101 ALA CA C 101 54.383 55.420 -1.037 1
1 989 . 7 1 1 A 101 101 ALA CB C 101 18.097 18.192 -0.095 1
1 990 . 7 1 1 A 101 101 ALA N N 101 120.699 121.333 -0.634 1
1 991 . 7 1 1 A 102 102 ARG H H 102 7.959 8.396 -0.437 1
1 992 . 7 1 1 A 102 102 ARG HA H 102 3.705 3.896 -0.191 1
1 993 . 7 1 1 A 102 102 ARG C C 102 178.310 178.722 -0.412 1
1 994 . 7 1 1 A 102 102 ARG CA C 102 57.696 59.669 -1.973 1
1 995 . 7 1 1 A 102 102 ARG CB C 102 28.404 30.268 -1.864 1
1 996 . 7 1 1 A 102 102 ARG N N 102 118.386 117.742 0.644 1
1 997 . 7 1 1 A 103 103 ALA H H 103 7.896 8.325 -0.429 1
1 998 . 7 1 1 A 103 103 ALA HA H 103 4.108 4.011 0.097 1
1 1002 . 7 1 1 A 103 103 ALA C C 103 178.184 179.069 -0.885 1
1 1003 . 7 1 1 A 103 103 ALA CA C 103 54.210 54.860 -0.650 1
1 1004 . 7 1 1 A 103 103 ALA CB C 103 18.430 18.551 -0.121 1
1 1005 . 7 1 1 A 103 103 ALA N N 103 120.630 121.791 -1.161 1
1 1006 . 7 1 1 A 104 104 LYS H H 104 7.337 7.278 0.059 1
1 1007 . 7 1 1 A 104 104 LYS HA H 104 4.150 4.253 -0.103 1
1 1013 . 7 1 1 A 104 104 LYS C C 104 177.211 176.742 0.469 1
1 1014 . 7 1 1 A 104 104 LYS CA C 104 56.429 57.125 -0.696 1
1 1015 . 7 1 1 A 104 104 LYS CB C 104 32.810 32.848 -0.038 1
1 1018 . 7 1 1 A 104 104 LYS N N 104 115.288 114.661 0.627 1
1 1019 . 7 1 1 A 105 105 LEU H H 105 7.511 7.787 -0.276 1
1 1020 . 7 1 1 A 105 105 LEU HA H 105 4.162 4.641 -0.479 1
1 1030 . 7 1 1 A 105 105 LEU C C 105 177.260 175.960 1.300 1
1 1031 . 7 1 1 A 105 105 LEU CA C 105 56.227 53.873 2.354 1
1 1032 . 7 1 1 A 105 105 LEU CB C 105 42.365 43.734 -1.369 1
1 1036 . 7 1 1 A 105 105 LEU N N 105 120.938 122.522 -1.584 1
1 1037 . 7 1 1 A 106 106 GLU H H 106 8.283 8.859 -0.576 1
1 1038 . 7 1 1 A 106 106 GLU HA H 106 4.167 4.381 -0.214 1
1 1041 . 7 1 1 A 106 106 GLU C C 106 173.877 175.504 -1.627 1
1 1042 . 7 1 1 A 106 106 GLU CA C 106 55.862 56.291 -0.429 1
1 1043 . 7 1 1 A 106 106 GLU CB C 106 30.289 31.416 -1.127 1
1 1044 . 7 1 1 A 106 106 GLU N N 106 121.004 124.747 -3.743 1
1 1045 . 7 1 1 A 107 107 HIS H H 107 8.128 7.263 0.865 1
1 1046 . 7 1 1 A 107 107 HIS CA C 107 57.258 56.308 0.950 1
1 1047 . 7 1 1 A 107 107 HIS CB C 107 30.252 30.562 -0.310 1
1 1 . 8 1 1 A 6 6 PRO HA H 6 4.310 3.758 0.552 1
1 8 . 8 1 1 A 6 6 PRO C C 6 177.583 176.372 1.211 1
1 9 . 8 1 1 A 6 6 PRO CA C 6 65.455 62.431 3.024 1
1 10 . 8 1 1 A 6 6 PRO CB C 6 31.231 29.701 1.530 1
1 13 . 8 1 1 A 7 7 GLU H H 7 8.058 8.253 -0.195 1
1 14 . 8 1 1 A 7 7 GLU HA H 7 4.314 4.129 0.185 1
1 15 . 8 1 1 A 7 7 GLU C C 7 178.814 179.110 -0.296 1
1 16 . 8 1 1 A 7 7 GLU CA C 7 58.577 59.764 -1.187 1
1 17 . 8 1 1 A 7 7 GLU CB C 7 29.806 29.127 0.679 1
1 18 . 8 1 1 A 7 7 GLU N N 7 116.393 122.665 -6.272 1
1 19 . 8 1 1 A 8 8 GLU H H 8 7.458 8.154 -0.696 1
1 20 . 8 1 1 A 8 8 GLU HA H 8 4.029 4.374 -0.345 1
1 21 . 8 1 1 A 8 8 GLU C C 8 179.794 179.172 0.622 1
1 22 . 8 1 1 A 8 8 GLU CA C 8 59.369 59.074 0.295 1
1 23 . 8 1 1 A 8 8 GLU CB C 8 29.455 29.735 -0.280 1
1 24 . 8 1 1 A 8 8 GLU N N 8 117.887 120.424 -2.537 1
1 25 . 8 1 1 A 9 9 TYR H H 9 6.889 8.490 -1.601 1
1 26 . 8 1 1 A 9 9 TYR HA H 9 4.301 4.335 -0.034 1
1 33 . 8 1 1 A 9 9 TYR C C 9 177.756 178.109 -0.353 1
1 34 . 8 1 1 A 9 9 TYR CA C 9 60.754 60.386 0.368 1
1 35 . 8 1 1 A 9 9 TYR CB C 9 37.319 37.783 -0.464 1
1 36 . 8 1 1 A 9 9 TYR N N 9 117.876 119.527 -1.651 1
1 37 . 8 1 1 A 10 10 TYR H H 10 8.138 7.988 0.150 1
1 38 . 8 1 1 A 10 10 TYR HA H 10 4.018 4.446 -0.428 1
1 45 . 8 1 1 A 10 10 TYR C C 10 176.231 177.444 -1.213 1
1 46 . 8 1 1 A 10 10 TYR CA C 10 62.031 60.026 2.005 1
1 47 . 8 1 1 A 10 10 TYR CB C 10 38.951 37.335 1.616 1
1 48 . 8 1 1 A 10 10 TYR N N 10 118.874 120.200 -1.326 1
1 49 . 8 1 1 A 11 11 LEU H H 11 8.597 7.829 0.768 1
1 50 . 8 1 1 A 11 11 LEU HA H 11 3.797 3.292 0.505 1
1 60 . 8 1 1 A 11 11 LEU C C 11 180.257 178.051 2.206 1
1 61 . 8 1 1 A 11 11 LEU CA C 11 58.295 57.352 0.943 1
1 62 . 8 1 1 A 11 11 LEU CB C 11 41.541 41.217 0.324 1
1 66 . 8 1 1 A 11 11 LEU N N 11 119.267 118.975 0.292 1
1 67 . 8 1 1 A 12 12 GLU H H 12 7.640 8.393 -0.753 1
1 68 . 8 1 1 A 12 12 GLU HA H 12 4.033 3.893 0.140 1
1 69 . 8 1 1 A 12 12 GLU C C 12 179.050 179.065 -0.015 1
1 70 . 8 1 1 A 12 12 GLU CA C 12 59.137 58.881 0.256 1
1 71 . 8 1 1 A 12 12 GLU CB C 12 29.351 29.051 0.300 1
1 72 . 8 1 1 A 12 12 GLU N N 12 119.459 120.623 -1.164 1
1 73 . 8 1 1 A 13 13 GLY H H 13 8.624 8.309 0.315 1
1 74 . 8 1 1 A 13 13 GLY HA2 H 13 3.083 3.783 -0.700 1
1 75 . 8 1 1 A 13 13 GLY HA3 H 13 2.863 3.803 -0.940 1
1 76 . 8 1 1 A 13 13 GLY C C 13 175.651 176.375 -0.724 1
1 77 . 8 1 1 A 13 13 GLY CA C 13 48.592 47.259 1.333 1
1 78 . 8 1 1 A 13 13 GLY N N 13 110.175 109.823 0.352 1
1 79 . 8 1 1 A 14 14 VAL H H 14 8.757 7.570 1.187 1
1 80 . 8 1 1 A 14 14 VAL HA H 14 3.532 3.704 -0.172 1
1 88 . 8 1 1 A 14 14 VAL C C 14 177.103 177.452 -0.349 1
1 89 . 8 1 1 A 14 14 VAL CA C 14 67.661 65.805 1.856 1
1 90 . 8 1 1 A 14 14 VAL CB C 14 31.430 31.769 -0.339 1
1 93 . 8 1 1 A 14 14 VAL N N 14 124.361 121.463 2.898 1
1 94 . 8 1 1 A 15 15 LEU H H 15 7.555 8.179 -0.624 1
1 95 . 8 1 1 A 15 15 LEU HA H 15 4.089 3.838 0.251 1
1 105 . 8 1 1 A 15 15 LEU C C 15 181.353 179.133 2.220 1
1 106 . 8 1 1 A 15 15 LEU CA C 15 58.775 57.959 0.816 1
1 107 . 8 1 1 A 15 15 LEU CB C 15 39.871 41.748 -1.877 1
1 111 . 8 1 1 A 15 15 LEU N N 15 119.975 119.651 0.324 1
1 112 . 8 1 1 A 16 16 GLN H H 16 7.878 7.631 0.247 1
1 113 . 8 1 1 A 16 16 GLN C C 16 177.675 177.642 0.033 1
1 114 . 8 1 1 A 16 16 GLN CA C 16 58.023 58.108 -0.085 1
1 115 . 8 1 1 A 16 16 GLN CB C 16 27.162 28.345 -1.183 1
1 116 . 8 1 1 A 16 16 GLN N N 16 117.171 116.860 0.311 1
1 117 . 8 1 1 A 17 17 TYR H H 17 9.044 7.629 1.415 1
1 118 . 8 1 1 A 17 17 TYR HA H 17 3.637 4.081 -0.444 1
1 125 . 8 1 1 A 17 17 TYR C C 17 179.591 176.637 2.954 1
1 126 . 8 1 1 A 17 17 TYR CA C 17 62.233 61.765 0.468 1
1 127 . 8 1 1 A 17 17 TYR CB C 17 38.759 38.598 0.161 1
1 128 . 8 1 1 A 17 17 TYR N N 17 124.139 121.213 2.926 1
1 129 . 8 1 1 A 18 18 ASP H H 18 9.408 9.201 0.207 1
1 130 . 8 1 1 A 18 18 ASP HA H 18 4.392 4.391 0.001 1
1 133 . 8 1 1 A 18 18 ASP C C 18 177.432 176.902 0.530 1
1 134 . 8 1 1 A 18 18 ASP CA C 18 57.155 56.755 0.400 1
1 135 . 8 1 1 A 18 18 ASP CB C 18 39.901 41.312 -1.411 1
1 136 . 8 1 1 A 18 18 ASP N N 18 122.934 119.264 3.670 1
1 137 . 8 1 1 A 19 19 ALA H H 19 7.264 7.803 -0.539 1
1 138 . 8 1 1 A 19 19 ALA HA H 19 4.294 4.232 0.062 1
1 142 . 8 1 1 A 19 19 ALA C C 19 177.336 177.215 0.121 1
1 143 . 8 1 1 A 19 19 ALA CA C 19 52.171 51.492 0.679 1
1 144 . 8 1 1 A 19 19 ALA CB C 19 18.870 18.425 0.445 1
1 145 . 8 1 1 A 19 19 ALA N N 19 119.827 121.450 -1.623 1
1 146 . 8 1 1 A 20 20 GLY H H 20 7.667 8.589 -0.922 1
1 147 . 8 1 1 A 20 20 GLY HA2 H 20 3.844 3.662 0.182 1
1 148 . 8 1 1 A 20 20 GLY HA3 H 20 2.653 3.809 -1.156 1
1 149 . 8 1 1 A 20 20 GLY C C 20 173.498 174.060 -0.562 1
1 150 . 8 1 1 A 20 20 GLY CA C 20 44.003 47.082 -3.079 1
1 151 . 8 1 1 A 20 20 GLY N N 20 106.574 111.219 -4.645 1
1 152 . 8 1 1 A 21 21 ASN H H 21 7.998 8.153 -0.155 1
1 153 . 8 1 1 A 21 21 ASN HA H 21 4.884 5.158 -0.274 1
1 156 . 8 1 1 A 21 21 ASN C C 21 175.654 175.257 0.397 1
1 157 . 8 1 1 A 21 21 ASN CA C 21 50.397 52.033 -1.636 1
1 158 . 8 1 1 A 21 21 ASN CB C 21 35.866 39.159 -3.293 1
1 159 . 8 1 1 A 21 21 ASN N N 21 121.852 119.873 1.979 1
1 160 . 8 1 1 A 22 22 TYR H H 22 7.024 8.097 -1.073 1
1 161 . 8 1 1 A 22 22 TYR HA H 22 4.203 4.185 0.018 1
1 166 . 8 1 1 A 22 22 TYR C C 22 179.639 177.943 1.696 1
1 167 . 8 1 1 A 22 22 TYR CA C 22 61.732 60.643 1.089 1
1 168 . 8 1 1 A 22 22 TYR CB C 22 37.840 38.202 -0.362 1
1 169 . 8 1 1 A 22 22 TYR N N 22 119.554 120.477 -0.923 1
1 170 . 8 1 1 A 23 23 THR H H 23 9.025 8.361 0.664 1
1 171 . 8 1 1 A 23 23 THR HA H 23 3.742 3.997 -0.255 1
1 176 . 8 1 1 A 23 23 THR C C 23 176.384 176.583 -0.199 1
1 177 . 8 1 1 A 23 23 THR CA C 23 67.528 67.429 0.099 1
1 178 . 8 1 1 A 23 23 THR CB C 23 67.962 68.551 -0.589 1
1 180 . 8 1 1 A 23 23 THR N N 23 117.377 116.483 0.894 1
1 181 . 8 1 1 A 24 24 GLU H H 24 8.762 8.427 0.335 1
1 182 . 8 1 1 A 24 24 GLU HA H 24 3.959 3.891 0.068 1
1 183 . 8 1 1 A 24 24 GLU C C 24 179.843 179.209 0.634 1
1 184 . 8 1 1 A 24 24 GLU CA C 24 60.243 59.727 0.516 1
1 185 . 8 1 1 A 24 24 GLU CB C 24 28.510 29.223 -0.713 1
1 186 . 8 1 1 A 24 24 GLU N N 24 123.212 120.485 2.727 1
1 187 . 8 1 1 A 25 25 SER H H 25 8.152 8.096 0.056 1
1 188 . 8 1 1 A 25 25 SER HA H 25 4.057 4.158 -0.101 1
1 190 . 8 1 1 A 25 25 SER C C 25 174.017 176.955 -2.938 1
1 191 . 8 1 1 A 25 25 SER CA C 25 62.319 61.486 0.833 1
1 192 . 8 1 1 A 25 25 SER CB C 25 62.345 62.771 -0.426 1
1 193 . 8 1 1 A 25 25 SER N N 25 115.914 114.140 1.774 1
1 194 . 8 1 1 A 26 26 ILE H H 26 7.593 8.144 -0.551 1
1 195 . 8 1 1 A 26 26 ILE HA H 26 3.560 4.022 -0.462 1
1 204 . 8 1 1 A 26 26 ILE C C 26 176.788 177.467 -0.679 1
1 205 . 8 1 1 A 26 26 ILE CA C 26 66.713 64.183 2.530 1
1 206 . 8 1 1 A 26 26 ILE CB C 26 36.519 37.353 -0.834 1
1 210 . 8 1 1 A 26 26 ILE N N 26 122.676 123.892 -1.216 1
1 211 . 8 1 1 A 27 27 ASP H H 27 6.944 8.165 -1.221 1
1 212 . 8 1 1 A 27 27 ASP HA H 27 4.239 4.682 -0.443 1
1 214 . 8 1 1 A 27 27 ASP C C 27 178.538 179.341 -0.803 1
1 215 . 8 1 1 A 27 27 ASP CA C 27 57.449 57.391 0.058 1
1 216 . 8 1 1 A 27 27 ASP CB C 27 40.758 41.002 -0.244 1
1 217 . 8 1 1 A 27 27 ASP N N 27 118.062 121.657 -3.595 1
1 218 . 8 1 1 A 28 28 LEU H H 28 6.971 8.167 -1.196 1
1 219 . 8 1 1 A 28 28 LEU HA H 28 3.776 3.830 -0.054 1
1 229 . 8 1 1 A 28 28 LEU C C 28 178.716 179.281 -0.565 1
1 230 . 8 1 1 A 28 28 LEU CA C 28 58.135 57.726 0.409 1
1 231 . 8 1 1 A 28 28 LEU CB C 28 40.491 42.057 -1.566 1
1 235 . 8 1 1 A 28 28 LEU N N 28 120.290 120.478 -0.188 1
1 236 . 8 1 1 A 29 29 PHE H H 29 8.520 8.236 0.284 1
1 237 . 8 1 1 A 29 29 PHE HA H 29 4.324 4.373 -0.049 1
1 240 . 8 1 1 A 29 29 PHE C C 29 178.284 178.295 -0.011 1
1 241 . 8 1 1 A 29 29 PHE CA C 29 59.548 60.759 -1.211 1
1 242 . 8 1 1 A 29 29 PHE CB C 29 37.576 38.421 -0.845 1
1 243 . 8 1 1 A 29 29 PHE N N 29 118.434 117.903 0.531 1
1 244 . 8 1 1 A 30 30 GLU H H 30 8.779 8.715 0.064 1
1 245 . 8 1 1 A 30 30 GLU HA H 30 3.795 3.771 0.024 1
1 246 . 8 1 1 A 30 30 GLU C C 30 178.966 179.029 -0.063 1
1 247 . 8 1 1 A 30 30 GLU CA C 30 59.452 59.753 -0.301 1
1 248 . 8 1 1 A 30 30 GLU CB C 30 29.049 29.192 -0.143 1
1 249 . 8 1 1 A 30 30 GLU N N 30 117.548 118.241 -0.693 1
1 250 . 8 1 1 A 31 31 LYS H H 31 7.318 7.669 -0.351 1
1 251 . 8 1 1 A 31 31 LYS HA H 31 3.668 4.070 -0.402 1
1 259 . 8 1 1 A 31 31 LYS C C 31 178.665 179.064 -0.399 1
1 260 . 8 1 1 A 31 31 LYS CA C 31 59.401 59.464 -0.063 1
1 261 . 8 1 1 A 31 31 LYS CB C 31 31.113 32.243 -1.130 1
1 264 . 8 1 1 A 31 31 LYS N N 31 120.410 119.737 0.673 1
1 265 . 8 1 1 A 32 32 ALA H H 32 7.311 7.829 -0.518 1
1 266 . 8 1 1 A 32 32 ALA HA H 32 3.859 4.127 -0.268 1
1 270 . 8 1 1 A 32 32 ALA C C 32 178.384 179.997 -1.613 1
1 271 . 8 1 1 A 32 32 ALA CA C 32 54.697 55.302 -0.605 1
1 272 . 8 1 1 A 32 32 ALA CB C 32 15.999 18.202 -2.203 1
1 273 . 8 1 1 A 32 32 ALA N N 32 121.277 122.211 -0.934 1
1 274 . 8 1 1 A 33 33 ILE H H 33 8.114 7.748 0.366 1
1 275 . 8 1 1 A 33 33 ILE HA H 33 3.469 3.569 -0.100 1
1 285 . 8 1 1 A 33 33 ILE C C 33 176.970 178.029 -1.059 1
1 286 . 8 1 1 A 33 33 ILE CA C 33 64.857 65.458 -0.601 1
1 287 . 8 1 1 A 33 33 ILE CB C 33 38.669 37.743 0.926 1
1 291 . 8 1 1 A 33 33 ILE N N 33 118.905 118.535 0.370 1
1 292 . 8 1 1 A 34 34 GLN H H 34 7.790 8.128 -0.338 1
1 293 . 8 1 1 A 34 34 GLN HA H 34 3.853 4.023 -0.170 1
1 296 . 8 1 1 A 34 34 GLN C C 34 178.320 179.142 -0.822 1
1 297 . 8 1 1 A 34 34 GLN CA C 34 57.696 58.804 -1.108 1
1 298 . 8 1 1 A 34 34 GLN CB C 34 28.457 28.243 0.214 1
1 299 . 8 1 1 A 34 34 GLN N N 34 115.405 118.448 -3.043 1
1 300 . 8 1 1 A 35 35 LEU H H 35 7.092 7.395 -0.303 1
1 301 . 8 1 1 A 35 35 LEU HA H 35 4.354 4.098 0.256 1
1 311 . 8 1 1 A 35 35 LEU C C 35 177.841 176.567 1.274 1
1 312 . 8 1 1 A 35 35 LEU CA C 35 56.273 56.940 -0.667 1
1 313 . 8 1 1 A 35 35 LEU CB C 35 43.490 42.704 0.786 1
1 317 . 8 1 1 A 35 35 LEU N N 35 116.678 119.362 -2.684 1
1 318 . 8 1 1 A 36 36 ASP H H 36 8.367 8.258 0.109 1
1 319 . 8 1 1 A 36 36 ASP CA C 36 52.138 51.445 0.693 1
1 320 . 8 1 1 A 36 36 ASP CB C 36 41.549 41.249 0.300 1
1 321 . 8 1 1 A 36 36 ASP N N 36 117.682 118.907 -1.225 1
1 322 . 8 1 1 A 37 37 PRO HA H 37 4.940 4.774 0.166 1
1 329 . 8 1 1 A 37 37 PRO C C 37 178.088 176.234 1.854 1
1 330 . 8 1 1 A 37 37 PRO CA C 37 64.272 62.914 1.358 1
1 331 . 8 1 1 A 37 37 PRO CB C 37 32.155 29.764 2.391 1
1 334 . 8 1 1 A 38 38 GLU H H 38 7.853 8.127 -0.274 1
1 335 . 8 1 1 A 38 38 GLU HA H 38 4.436 4.721 -0.285 1
1 337 . 8 1 1 A 38 38 GLU C C 38 174.874 175.065 -0.191 1
1 338 . 8 1 1 A 38 38 GLU CA C 38 56.200 55.661 0.539 1
1 339 . 8 1 1 A 38 38 GLU CB C 38 29.589 30.668 -1.079 1
1 340 . 8 1 1 A 38 38 GLU N N 38 116.933 121.874 -4.941 1
1 341 . 8 1 1 A 39 39 GLU H H 39 6.992 7.838 -0.846 1
1 342 . 8 1 1 A 39 39 GLU HA H 39 4.313 4.799 -0.486 1
1 343 . 8 1 1 A 39 39 GLU C C 39 176.082 176.476 -0.394 1
1 344 . 8 1 1 A 39 39 GLU CA C 39 54.591 55.272 -0.681 1
1 345 . 8 1 1 A 39 39 GLU CB C 39 29.177 31.411 -2.234 1
1 346 . 8 1 1 A 39 39 GLU N N 39 119.900 122.047 -2.147 1
1 347 . 8 1 1 A 40 40 SER H H 40 8.458 9.123 -0.665 1
1 348 . 8 1 1 A 40 40 SER HA H 40 4.103 4.421 -0.318 1
1 350 . 8 1 1 A 40 40 SER C C 40 176.323 176.933 -0.610 1
1 351 . 8 1 1 A 40 40 SER CA C 40 61.929 61.488 0.441 1
1 352 . 8 1 1 A 40 40 SER CB C 40 63.232 63.108 0.124 1
1 353 . 8 1 1 A 40 40 SER N N 40 125.619 121.568 4.051 1
1 354 . 8 1 1 A 41 41 LYS H H 41 9.248 8.044 1.204 1
1 355 . 8 1 1 A 41 41 LYS HA H 41 4.068 4.215 -0.147 1
1 358 . 8 1 1 A 41 41 LYS C C 41 177.520 179.168 -1.648 1
1 359 . 8 1 1 A 41 41 LYS CA C 41 59.259 58.898 0.361 1
1 360 . 8 1 1 A 41 41 LYS CB C 41 31.161 32.363 -1.202 1
1 361 . 8 1 1 A 41 41 LYS N N 41 119.120 121.066 -1.946 1
1 362 . 8 1 1 A 42 42 TYR H H 42 6.924 8.261 -1.337 1
1 363 . 8 1 1 A 42 42 TYR HA H 42 4.301 4.293 0.008 1
1 368 . 8 1 1 A 42 42 TYR C C 42 177.269 178.073 -0.804 1
1 369 . 8 1 1 A 42 42 TYR CA C 42 57.603 60.538 -2.935 1
1 370 . 8 1 1 A 42 42 TYR CB C 42 37.063 38.458 -1.395 1
1 371 . 8 1 1 A 42 42 TYR N N 42 118.666 119.164 -0.498 1
1 372 . 8 1 1 A 43 43 TRP H H 43 6.662 7.978 -1.316 1
1 373 . 8 1 1 A 43 43 TRP HA H 43 3.910 4.467 -0.557 1
1 378 . 8 1 1 A 43 43 TRP C C 43 178.823 178.754 0.069 1
1 379 . 8 1 1 A 43 43 TRP CA C 43 59.953 60.112 -0.159 1
1 380 . 8 1 1 A 43 43 TRP CB C 43 30.759 29.883 0.876 1
1 381 . 8 1 1 A 43 43 TRP N N 43 118.990 120.314 -1.324 1
1 383 . 8 1 1 A 44 44 LEU H H 44 8.412 9.460 -1.048 1
1 384 . 8 1 1 A 44 44 LEU HA H 44 4.112 4.200 -0.088 1
1 394 . 8 1 1 A 44 44 LEU C C 44 177.758 178.598 -0.840 1
1 395 . 8 1 1 A 44 44 LEU CA C 44 58.613 58.179 0.434 1
1 396 . 8 1 1 A 44 44 LEU CB C 44 42.004 41.525 0.479 1
1 400 . 8 1 1 A 44 44 LEU N N 44 118.970 122.269 -3.299 1
1 401 . 8 1 1 A 45 45 MET H H 45 7.403 7.838 -0.435 1
1 402 . 8 1 1 A 45 45 MET HA H 45 4.270 4.082 0.188 1
1 403 . 8 1 1 A 45 45 MET C C 45 177.749 177.965 -0.216 1
1 404 . 8 1 1 A 45 45 MET CA C 45 55.159 58.222 -3.063 1
1 405 . 8 1 1 A 45 45 MET CB C 45 26.925 31.460 -4.535 1
1 406 . 8 1 1 A 45 45 MET N N 45 113.618 119.408 -5.790 1
1 407 . 8 1 1 A 46 46 LYS H H 46 7.623 7.374 0.249 1
1 408 . 8 1 1 A 46 46 LYS HA H 46 3.906 3.702 0.204 1
1 409 . 8 1 1 A 46 46 LYS C C 46 178.056 179.491 -1.435 1
1 410 . 8 1 1 A 46 46 LYS CA C 46 61.394 59.114 2.280 1
1 411 . 8 1 1 A 46 46 LYS CB C 46 32.442 32.014 0.428 1
1 412 . 8 1 1 A 46 46 LYS N N 46 119.840 118.644 1.196 1
1 413 . 8 1 1 A 47 47 GLY H H 47 8.495 8.018 0.477 1
1 414 . 8 1 1 A 47 47 GLY HA2 H 47 3.730 2.792 0.938 1
1 415 . 8 1 1 A 47 47 GLY HA3 H 47 3.612 3.424 0.188 1
1 416 . 8 1 1 A 47 47 GLY C C 47 175.340 175.679 -0.339 1
1 417 . 8 1 1 A 47 47 GLY CA C 47 47.689 47.034 0.655 1
1 418 . 8 1 1 A 47 47 GLY N N 47 105.741 108.149 -2.408 1
1 419 . 8 1 1 A 48 48 LYS H H 48 8.760 7.696 1.064 1
1 420 . 8 1 1 A 48 48 LYS HA H 48 3.969 4.248 -0.279 1
1 428 . 8 1 1 A 48 48 LYS C C 48 180.425 179.287 1.138 1
1 429 . 8 1 1 A 48 48 LYS CA C 48 60.506 59.887 0.619 1
1 430 . 8 1 1 A 48 48 LYS CB C 48 30.964 32.282 -1.318 1
1 433 . 8 1 1 A 48 48 LYS N N 48 122.568 121.962 0.606 1
1 434 . 8 1 1 A 49 49 ALA H H 49 8.668 7.815 0.853 1
1 435 . 8 1 1 A 49 49 ALA HA H 49 4.084 4.027 0.057 1
1 439 . 8 1 1 A 49 49 ALA C C 49 178.870 180.096 -1.226 1
1 440 . 8 1 1 A 49 49 ALA CA C 49 55.777 55.099 0.678 1
1 441 . 8 1 1 A 49 49 ALA CB C 49 17.702 18.604 -0.902 1
1 442 . 8 1 1 A 49 49 ALA N N 49 124.484 122.512 1.972 1
1 443 . 8 1 1 A 50 50 LEU H H 50 8.192 8.330 -0.138 1
1 444 . 8 1 1 A 50 50 LEU HA H 50 3.771 3.944 -0.173 1
1 454 . 8 1 1 A 50 50 LEU C C 50 179.839 178.790 1.049 1
1 455 . 8 1 1 A 50 50 LEU CA C 50 58.727 57.838 0.889 1
1 456 . 8 1 1 A 50 50 LEU CB C 50 40.549 41.886 -1.337 1
1 460 . 8 1 1 A 50 50 LEU N N 50 118.843 118.124 0.719 1
1 461 . 8 1 1 A 51 51 TYR H H 51 9.282 8.666 0.616 1
1 462 . 8 1 1 A 51 51 TYR HA H 51 3.557 3.933 -0.376 1
1 469 . 8 1 1 A 51 51 TYR C C 51 179.177 178.078 1.099 1
1 470 . 8 1 1 A 51 51 TYR CA C 51 61.878 62.187 -0.309 1
1 471 . 8 1 1 A 51 51 TYR CB C 51 38.249 38.764 -0.515 1
1 472 . 8 1 1 A 51 51 TYR N N 51 122.719 119.964 2.755 1
1 473 . 8 1 1 A 52 52 ASN H H 52 7.882 8.141 -0.259 1
1 474 . 8 1 1 A 52 52 ASN HA H 52 4.084 3.855 0.229 1
1 477 . 8 1 1 A 52 52 ASN C C 52 175.615 176.540 -0.925 1
1 478 . 8 1 1 A 52 52 ASN CA C 52 55.964 55.677 0.287 1
1 479 . 8 1 1 A 52 52 ASN CB C 52 37.219 38.867 -1.648 1
1 480 . 8 1 1 A 52 52 ASN N N 52 120.327 117.686 2.641 1
1 481 . 8 1 1 A 53 53 LEU H H 53 7.178 7.180 -0.002 1
1 482 . 8 1 1 A 53 53 LEU HA H 53 4.299 4.179 0.120 1
1 492 . 8 1 1 A 53 53 LEU C C 53 175.095 176.268 -1.173 1
1 493 . 8 1 1 A 53 53 LEU CA C 53 54.112 54.646 -0.534 1
1 494 . 8 1 1 A 53 53 LEU CB C 53 42.548 41.864 0.684 1
1 498 . 8 1 1 A 53 53 LEU N N 53 119.827 117.277 2.550 1
1 499 . 8 1 1 A 54 54 GLU H H 54 7.515 7.568 -0.053 1
1 500 . 8 1 1 A 54 54 GLU C C 54 175.118 175.315 -0.197 1
1 501 . 8 1 1 A 54 54 GLU CA C 54 56.811 57.445 -0.634 1
1 502 . 8 1 1 A 54 54 GLU CB C 54 25.944 29.259 -3.315 1
1 503 . 8 1 1 A 54 54 GLU N N 54 112.799 117.806 -5.007 1
1 504 . 8 1 1 A 55 55 ARG H H 55 7.719 7.646 0.073 1
1 505 . 8 1 1 A 55 55 ARG HA H 55 4.407 4.506 -0.099 1
1 512 . 8 1 1 A 55 55 ARG C C 55 176.820 176.100 0.720 1
1 513 . 8 1 1 A 55 55 ARG CA C 55 54.493 53.872 0.621 1
1 514 . 8 1 1 A 55 55 ARG CB C 55 29.041 27.989 1.052 1
1 517 . 8 1 1 A 55 55 ARG N N 55 122.369 120.083 2.286 1
1 518 . 8 1 1 A 56 56 TYR H H 56 6.403 7.049 -0.646 1
1 519 . 8 1 1 A 56 56 TYR HA H 56 3.879 4.273 -0.394 1
1 526 . 8 1 1 A 56 56 TYR C C 56 177.879 178.389 -0.510 1
1 527 . 8 1 1 A 56 56 TYR CA C 56 62.080 61.221 0.859 1
1 528 . 8 1 1 A 56 56 TYR CB C 56 38.443 38.117 0.326 1
1 529 . 8 1 1 A 56 56 TYR N N 56 117.128 120.367 -3.239 1
1 530 . 8 1 1 A 57 57 GLU H H 57 9.032 8.551 0.481 1
1 531 . 8 1 1 A 57 57 GLU HA H 57 3.865 4.190 -0.325 1
1 532 . 8 1 1 A 57 57 GLU C C 57 179.417 178.763 0.654 1
1 533 . 8 1 1 A 57 57 GLU CA C 57 60.722 59.521 1.201 1
1 534 . 8 1 1 A 57 57 GLU CB C 57 29.124 29.391 -0.267 1
1 535 . 8 1 1 A 57 57 GLU N N 57 118.981 118.172 0.809 1
1 536 . 8 1 1 A 58 58 GLU H H 58 8.286 8.298 -0.012 1
1 537 . 8 1 1 A 58 58 GLU HA H 58 4.050 4.067 -0.017 1
1 538 . 8 1 1 A 58 58 GLU C C 58 179.476 178.303 1.173 1
1 539 . 8 1 1 A 58 58 GLU CA C 58 59.289 59.540 -0.251 1
1 540 . 8 1 1 A 58 58 GLU CB C 58 31.234 29.347 1.887 1
1 541 . 8 1 1 A 58 58 GLU N N 58 119.123 119.548 -0.425 1
1 542 . 8 1 1 A 59 59 ALA H H 59 8.131 8.474 -0.343 1
1 543 . 8 1 1 A 59 59 ALA HA H 59 3.786 3.996 -0.210 1
1 547 . 8 1 1 A 59 59 ALA C C 59 178.281 180.146 -1.865 1
1 548 . 8 1 1 A 59 59 ALA CA C 59 56.324 55.348 0.976 1
1 549 . 8 1 1 A 59 59 ALA CB C 59 17.444 18.361 -0.917 1
1 550 . 8 1 1 A 59 59 ALA N N 59 124.009 122.519 1.490 1
1 551 . 8 1 1 A 60 60 VAL H H 60 8.079 8.108 -0.029 1
1 552 . 8 1 1 A 60 60 VAL HA H 60 3.439 3.702 -0.263 1
1 560 . 8 1 1 A 60 60 VAL C C 60 177.323 177.608 -0.285 1
1 561 . 8 1 1 A 60 60 VAL CA C 60 67.410 66.938 0.472 1
1 562 . 8 1 1 A 60 60 VAL CB C 60 31.259 31.448 -0.189 1
1 565 . 8 1 1 A 60 60 VAL N N 60 116.647 118.594 -1.947 1
1 566 . 8 1 1 A 61 61 ASP H H 61 7.737 8.231 -0.494 1
1 567 . 8 1 1 A 61 61 ASP HA H 61 4.446 4.468 -0.022 1
1 570 . 8 1 1 A 61 61 ASP C C 61 179.986 179.258 0.728 1
1 571 . 8 1 1 A 61 61 ASP CA C 61 58.123 57.603 0.520 1
1 572 . 8 1 1 A 61 61 ASP CB C 61 40.160 40.015 0.145 1
1 573 . 8 1 1 A 61 61 ASP N N 61 119.276 119.780 -0.504 1
1 574 . 8 1 1 A 62 62 CYS H H 62 7.387 7.930 -0.543 1
1 575 . 8 1 1 A 62 62 CYS HA H 62 4.337 4.151 0.186 1
1 578 . 8 1 1 A 62 62 CYS C C 62 176.276 177.041 -0.765 1
1 579 . 8 1 1 A 62 62 CYS CA C 62 63.585 63.709 -0.124 1
1 580 . 8 1 1 A 62 62 CYS CB C 62 26.441 28.030 -1.589 1
1 581 . 8 1 1 A 62 62 CYS N N 62 118.794 118.570 0.224 1
1 582 . 8 1 1 A 63 63 TYR H H 63 7.391 8.130 -0.739 1
1 583 . 8 1 1 A 63 63 TYR HA H 63 4.249 4.425 -0.176 1
1 588 . 8 1 1 A 63 63 TYR C C 63 178.113 178.710 -0.597 1
1 589 . 8 1 1 A 63 63 TYR CA C 63 57.994 61.721 -3.727 1
1 590 . 8 1 1 A 63 63 TYR CB C 63 36.288 37.785 -1.497 1
1 591 . 8 1 1 A 63 63 TYR N N 63 119.775 119.260 0.515 1
1 592 . 8 1 1 A 64 64 ASN H H 64 9.121 8.568 0.553 1
1 593 . 8 1 1 A 64 64 ASN HA H 64 4.328 4.529 -0.201 1
1 596 . 8 1 1 A 64 64 ASN C C 64 177.346 177.187 0.159 1
1 597 . 8 1 1 A 64 64 ASN CA C 64 54.809 56.229 -1.420 1
1 598 . 8 1 1 A 64 64 ASN CB C 64 36.904 38.710 -1.806 1
1 599 . 8 1 1 A 64 64 ASN N N 64 117.343 118.828 -1.485 1
1 600 . 8 1 1 A 65 65 TYR H H 65 7.635 8.082 -0.447 1
1 601 . 8 1 1 A 65 65 TYR HA H 65 3.660 3.989 -0.329 1
1 608 . 8 1 1 A 65 65 TYR C C 65 178.599 176.818 1.781 1
1 609 . 8 1 1 A 65 65 TYR CA C 65 62.267 61.482 0.785 1
1 610 . 8 1 1 A 65 65 TYR CB C 65 37.886 38.377 -0.491 1
1 611 . 8 1 1 A 65 65 TYR N N 65 124.181 120.798 3.383 1
1 612 . 8 1 1 A 66 66 VAL H H 66 7.093 7.769 -0.676 1
1 613 . 8 1 1 A 66 66 VAL HA H 66 3.316 3.601 -0.285 1
1 621 . 8 1 1 A 66 66 VAL C C 66 177.070 178.197 -1.127 1
1 622 . 8 1 1 A 66 66 VAL CA C 66 65.944 66.788 -0.844 1
1 623 . 8 1 1 A 66 66 VAL CB C 66 31.613 31.653 -0.040 1
1 626 . 8 1 1 A 66 66 VAL N N 66 119.247 119.482 -0.235 1
1 627 . 8 1 1 A 67 67 ILE H H 67 7.640 8.205 -0.565 1
1 628 . 8 1 1 A 67 67 ILE HA H 67 3.056 3.765 -0.709 1
1 638 . 8 1 1 A 67 67 ILE C C 67 176.822 178.597 -1.775 1
1 639 . 8 1 1 A 67 67 ILE CA C 67 64.902 64.265 0.637 1
1 640 . 8 1 1 A 67 67 ILE CB C 67 39.444 37.191 2.253 1
1 644 . 8 1 1 A 67 67 ILE N N 67 117.814 119.816 -2.002 1
1 645 . 8 1 1 A 68 68 ASN H H 68 8.587 8.426 0.161 1
1 646 . 8 1 1 A 68 68 ASN HA H 68 4.564 4.536 0.028 1
1 649 . 8 1 1 A 68 68 ASN C C 68 176.007 177.390 -1.383 1
1 650 . 8 1 1 A 68 68 ASN CA C 68 54.569 55.389 -0.820 1
1 651 . 8 1 1 A 68 68 ASN CB C 68 39.424 39.102 0.322 1
1 652 . 8 1 1 A 68 68 ASN N N 68 112.692 120.281 -7.589 1
1 653 . 8 1 1 A 69 69 VAL H H 69 7.607 7.773 -0.166 1
1 654 . 8 1 1 A 69 69 VAL HA H 69 3.813 3.462 0.351 1
1 661 . 8 1 1 A 69 69 VAL C C 69 177.490 175.949 1.541 1
1 662 . 8 1 1 A 69 69 VAL CA C 69 64.763 66.416 -1.653 1
1 663 . 8 1 1 A 69 69 VAL CB C 69 30.804 31.430 -0.626 1
1 666 . 8 1 1 A 69 69 VAL N N 69 119.569 118.677 0.892 1
1 667 . 8 1 1 A 70 70 ILE H H 70 7.489 7.821 -0.332 1
1 668 . 8 1 1 A 70 70 ILE HA H 70 3.635 4.351 -0.716 1
1 678 . 8 1 1 A 70 70 ILE C C 70 176.523 175.736 0.787 1
1 679 . 8 1 1 A 70 70 ILE CA C 70 64.090 60.356 3.734 1
1 680 . 8 1 1 A 70 70 ILE CB C 70 37.026 38.651 -1.625 1
1 684 . 8 1 1 A 70 70 ILE N N 70 119.276 119.794 -0.518 1
1 685 . 8 1 1 A 71 71 GLU H H 71 6.641 9.028 -2.387 1
1 686 . 8 1 1 A 71 71 GLU HA H 71 3.865 4.355 -0.490 1
1 690 . 8 1 1 A 71 71 GLU C C 71 176.415 176.904 -0.489 1
1 691 . 8 1 1 A 71 71 GLU CA C 71 57.229 57.165 0.064 1
1 692 . 8 1 1 A 71 71 GLU CB C 71 26.142 29.571 -3.429 1
1 694 . 8 1 1 A 71 71 GLU N N 71 110.179 126.754 -16.575 1
1 695 . 8 1 1 A 72 72 ASP H H 72 7.744 7.890 -0.146 1
1 696 . 8 1 1 A 72 72 ASP HA H 72 4.813 4.710 0.103 1
1 699 . 8 1 1 A 72 72 ASP C C 72 176.230 176.094 0.136 1
1 700 . 8 1 1 A 72 72 ASP CA C 72 52.203 52.886 -0.683 1
1 701 . 8 1 1 A 72 72 ASP CB C 72 39.256 38.921 0.335 1
1 702 . 8 1 1 A 72 72 ASP N N 72 121.733 121.375 0.358 1
1 703 . 8 1 1 A 73 73 GLU H H 73 7.510 8.274 -0.764 1
1 704 . 8 1 1 A 73 73 GLU HA H 73 3.946 4.604 -0.658 1
1 709 . 8 1 1 A 73 73 GLU C C 73 176.745 175.784 0.961 1
1 710 . 8 1 1 A 73 73 GLU CA C 73 58.303 55.977 2.326 1
1 711 . 8 1 1 A 73 73 GLU CB C 73 30.664 28.317 2.347 1
1 713 . 8 1 1 A 73 73 GLU N N 73 116.724 123.123 -6.399 1
1 714 . 8 1 1 A 74 74 TYR H H 74 8.794 8.735 0.059 1
1 715 . 8 1 1 A 74 74 TYR HA H 74 4.875 4.732 0.143 1
1 722 . 8 1 1 A 74 74 TYR C C 74 174.879 173.920 0.959 1
1 723 . 8 1 1 A 74 74 TYR CA C 74 56.732 57.147 -0.415 1
1 724 . 8 1 1 A 74 74 TYR CB C 74 37.069 39.453 -2.384 1
1 725 . 8 1 1 A 74 74 TYR N N 74 120.080 127.155 -7.075 1
1 726 . 8 1 1 A 75 75 ASN H H 75 7.237 7.263 -0.026 1
1 727 . 8 1 1 A 75 75 ASN HA H 75 4.601 4.470 0.131 1
1 730 . 8 1 1 A 75 75 ASN C C 75 175.146 175.215 -0.069 1
1 731 . 8 1 1 A 75 75 ASN CA C 75 53.124 51.753 1.371 1
1 732 . 8 1 1 A 75 75 ASN CB C 75 37.755 39.245 -1.490 1
1 733 . 8 1 1 A 75 75 ASN N N 75 118.665 119.820 -1.155 1
1 734 . 8 1 1 A 76 76 LYS H H 76 8.672 8.058 0.614 1
1 735 . 8 1 1 A 76 76 LYS HA H 76 4.077 3.577 0.500 1
1 742 . 8 1 1 A 76 76 LYS C C 76 177.773 178.138 -0.365 1
1 743 . 8 1 1 A 76 76 LYS CA C 76 60.060 58.727 1.333 1
1 744 . 8 1 1 A 76 76 LYS CB C 76 37.827 31.733 6.094 1
1 748 . 8 1 1 A 76 76 LYS N N 76 127.868 124.561 3.307 1
1 749 . 8 1 1 A 77 77 ASP H H 77 7.946 7.908 0.038 1
1 750 . 8 1 1 A 77 77 ASP HA H 77 4.414 4.324 0.090 1
1 753 . 8 1 1 A 77 77 ASP C C 77 179.265 178.610 0.655 1
1 754 . 8 1 1 A 77 77 ASP CA C 77 57.127 57.411 -0.284 1
1 755 . 8 1 1 A 77 77 ASP CB C 77 40.634 41.261 -0.627 1
1 756 . 8 1 1 A 77 77 ASP N N 77 117.883 119.805 -1.922 1
1 757 . 8 1 1 A 78 78 VAL H H 78 7.653 7.990 -0.337 1
1 758 . 8 1 1 A 78 78 VAL HA H 78 3.282 3.608 -0.326 1
1 766 . 8 1 1 A 78 78 VAL C C 78 176.624 178.135 -1.511 1
1 767 . 8 1 1 A 78 78 VAL CA C 78 65.531 66.439 -0.908 1
1 768 . 8 1 1 A 78 78 VAL CB C 78 31.290 31.650 -0.360 1
1 771 . 8 1 1 A 78 78 VAL N N 78 121.259 118.773 2.486 1
1 772 . 8 1 1 A 79 79 TRP H H 79 7.626 7.884 -0.258 1
1 773 . 8 1 1 A 79 79 TRP HA H 79 4.107 4.375 -0.268 1
1 778 . 8 1 1 A 79 79 TRP C C 79 177.932 178.640 -0.708 1
1 779 . 8 1 1 A 79 79 TRP CA C 79 61.491 59.934 1.557 1
1 780 . 8 1 1 A 79 79 TRP CB C 79 28.665 28.785 -0.120 1
1 781 . 8 1 1 A 79 79 TRP N N 79 120.388 120.190 0.198 1
1 783 . 8 1 1 A 80 80 ALA H H 80 8.296 8.628 -0.332 1
1 784 . 8 1 1 A 80 80 ALA HA H 80 3.898 3.866 0.032 1
1 788 . 8 1 1 A 80 80 ALA C C 80 176.556 179.490 -2.934 1
1 789 . 8 1 1 A 80 80 ALA CA C 80 55.158 55.307 -0.149 1
1 790 . 8 1 1 A 80 80 ALA CB C 80 18.155 18.158 -0.003 1
1 791 . 8 1 1 A 80 80 ALA N N 80 120.453 120.726 -0.273 1
1 792 . 8 1 1 A 81 81 ALA H H 81 7.405 7.938 -0.533 1
1 793 . 8 1 1 A 81 81 ALA HA H 81 3.837 3.872 -0.035 1
1 797 . 8 1 1 A 81 81 ALA C C 81 180.646 178.757 1.889 1
1 798 . 8 1 1 A 81 81 ALA CA C 81 55.028 55.143 -0.115 1
1 799 . 8 1 1 A 81 81 ALA CB C 81 15.649 17.985 -2.336 1
1 800 . 8 1 1 A 81 81 ALA N N 81 120.915 119.850 1.065 1
1 801 . 8 1 1 A 82 82 LYS H H 82 8.244 7.718 0.526 1
1 802 . 8 1 1 A 82 82 LYS HA H 82 3.853 3.585 0.268 1
1 811 . 8 1 1 A 82 82 LYS C C 82 177.176 178.271 -1.095 1
1 812 . 8 1 1 A 82 82 LYS CA C 82 60.577 58.855 1.722 1
1 813 . 8 1 1 A 82 82 LYS CB C 82 32.243 32.202 0.041 1
1 816 . 8 1 1 A 82 82 LYS N N 82 121.979 118.302 3.677 1
1 817 . 8 1 1 A 83 83 ALA H H 83 8.422 8.126 0.296 1
1 818 . 8 1 1 A 83 83 ALA HA H 83 3.894 4.023 -0.129 1
1 822 . 8 1 1 A 83 83 ALA C C 83 178.746 179.991 -1.245 1
1 823 . 8 1 1 A 83 83 ALA CA C 83 56.268 55.122 1.146 1
1 824 . 8 1 1 A 83 83 ALA CB C 83 17.700 18.194 -0.494 1
1 825 . 8 1 1 A 83 83 ALA N N 83 121.419 121.653 -0.234 1
1 826 . 8 1 1 A 84 84 ASP H H 84 7.481 7.974 -0.493 1
1 827 . 8 1 1 A 84 84 ASP HA H 84 4.377 4.343 0.034 1
1 828 . 8 1 1 A 84 84 ASP C C 84 178.394 178.365 0.029 1
1 829 . 8 1 1 A 84 84 ASP CA C 84 56.946 56.806 0.140 1
1 830 . 8 1 1 A 84 84 ASP CB C 84 40.351 39.896 0.455 1
1 831 . 8 1 1 A 84 84 ASP N N 84 114.693 119.402 -4.709 1
1 832 . 8 1 1 A 85 85 ALA H H 85 7.680 7.143 0.537 1
1 833 . 8 1 1 A 85 85 ALA HA H 85 4.521 4.543 -0.022 1
1 837 . 8 1 1 A 85 85 ALA C C 85 179.100 180.189 -1.089 1
1 838 . 8 1 1 A 85 85 ALA CA C 85 55.819 55.128 0.691 1
1 839 . 8 1 1 A 85 85 ALA CB C 85 19.257 18.442 0.815 1
1 840 . 8 1 1 A 85 85 ALA N N 85 119.105 122.552 -3.447 1
1 841 . 8 1 1 A 86 86 LEU H H 86 8.516 8.346 0.170 1
1 842 . 8 1 1 A 86 86 LEU HA H 86 3.919 3.981 -0.062 1
1 852 . 8 1 1 A 86 86 LEU C C 86 178.767 179.297 -0.530 1
1 853 . 8 1 1 A 86 86 LEU CA C 86 48.892 57.783 -8.891 1
1 854 . 8 1 1 A 86 86 LEU CB C 86 43.011 41.157 1.854 1
1 858 . 8 1 1 A 86 86 LEU N N 86 115.208 119.062 -3.854 1
1 859 . 8 1 1 A 87 87 ARG H H 87 7.329 8.154 -0.825 1
1 860 . 8 1 1 A 87 87 ARG HA H 87 3.851 3.929 -0.078 1
1 867 . 8 1 1 A 87 87 ARG C C 87 176.800 175.576 1.224 1
1 868 . 8 1 1 A 87 87 ARG CA C 87 58.315 58.157 0.158 1
1 869 . 8 1 1 A 87 87 ARG CB C 87 27.514 29.639 -2.125 1
1 872 . 8 1 1 A 87 87 ARG N N 87 115.227 117.030 -1.803 1
1 873 . 8 1 1 A 88 88 TYR H H 88 7.201 7.463 -0.262 1
1 874 . 8 1 1 A 88 88 TYR HA H 88 4.193 4.646 -0.453 1
1 881 . 8 1 1 A 88 88 TYR C C 88 174.958 173.621 1.337 1
1 882 . 8 1 1 A 88 88 TYR CA C 88 58.463 56.371 2.092 1
1 883 . 8 1 1 A 88 88 TYR CB C 88 38.457 37.875 0.582 1
1 884 . 8 1 1 A 88 88 TYR N N 88 115.558 115.804 -0.246 1
1 885 . 8 1 1 A 89 89 ILE H H 89 7.374 7.602 -0.228 1
1 886 . 8 1 1 A 89 89 ILE HA H 89 4.175 4.875 -0.700 1
1 895 . 8 1 1 A 89 89 ILE C C 89 174.900 174.436 0.464 1
1 896 . 8 1 1 A 89 89 ILE CA C 89 60.978 59.571 1.407 1
1 897 . 8 1 1 A 89 89 ILE CB C 89 38.945 41.889 -2.944 1
1 901 . 8 1 1 A 89 89 ILE N N 89 122.120 122.426 -0.306 1
1 902 . 8 1 1 A 90 90 GLU H H 90 8.655 8.651 0.004 1
1 903 . 8 1 1 A 90 90 GLU HA H 90 4.159 4.095 0.064 1
1 905 . 8 1 1 A 90 90 GLU CA C 90 57.914 57.215 0.699 1
1 906 . 8 1 1 A 90 90 GLU CB C 90 29.894 29.574 0.320 1
1 907 . 8 1 1 A 90 90 GLU N N 90 128.417 126.010 2.407 1
1 908 . 8 1 1 A 91 91 GLY H H 91 9.089 8.840 0.249 1
1 909 . 8 1 1 A 91 91 GLY HA2 H 91 4.293 3.890 0.403 1
1 910 . 8 1 1 A 91 91 GLY HA3 H 91 4.039 3.895 0.144 1
1 911 . 8 1 1 A 91 91 GLY CA C 91 45.756 46.694 -0.938 1
1 912 . 8 1 1 A 91 91 GLY N N 91 112.760 111.300 1.460 1
1 913 . 8 1 1 A 93 93 GLU C C 93 176.315 175.947 0.368 1
1 914 . 8 1 1 A 94 94 VAL H H 94 8.288 8.495 -0.207 1
1 915 . 8 1 1 A 94 94 VAL HA H 94 3.800 3.666 0.134 1
1 920 . 8 1 1 A 94 94 VAL C C 94 178.292 175.524 2.768 1
1 921 . 8 1 1 A 94 94 VAL CA C 94 56.374 63.882 -7.508 1
1 922 . 8 1 1 A 94 94 VAL CB C 94 31.630 29.213 2.417 1
1 923 . 8 1 1 A 94 94 VAL N N 94 119.837 120.272 -0.435 1
1 924 . 8 1 1 A 95 95 GLU H H 95 8.207 8.150 0.057 1
1 925 . 8 1 1 A 95 95 GLU HA H 95 3.931 4.058 -0.127 1
1 927 . 8 1 1 A 95 95 GLU C C 95 179.514 179.118 0.396 1
1 928 . 8 1 1 A 95 95 GLU CA C 95 60.215 59.093 1.122 1
1 929 . 8 1 1 A 95 95 GLU CB C 95 29.419 29.635 -0.216 1
1 930 . 8 1 1 A 95 95 GLU N N 95 120.805 122.799 -1.994 1
1 931 . 8 1 1 A 96 96 ALA H H 96 8.839 8.270 0.569 1
1 932 . 8 1 1 A 96 96 ALA HA H 96 4.029 4.061 -0.032 1
1 936 . 8 1 1 A 96 96 ALA C C 96 179.047 179.954 -0.907 1
1 937 . 8 1 1 A 96 96 ALA CA C 96 54.866 54.793 0.073 1
1 938 . 8 1 1 A 96 96 ALA CB C 96 17.667 18.571 -0.904 1
1 939 . 8 1 1 A 96 96 ALA N N 96 123.226 122.484 0.742 1
1 940 . 8 1 1 A 97 97 GLU H H 97 7.763 7.901 -0.138 1
1 941 . 8 1 1 A 97 97 GLU HA H 97 4.055 3.944 0.111 1
1 943 . 8 1 1 A 97 97 GLU C C 97 178.015 179.468 -1.453 1
1 944 . 8 1 1 A 97 97 GLU CA C 97 59.138 59.692 -0.554 1
1 945 . 8 1 1 A 97 97 GLU CB C 97 29.588 29.443 0.145 1
1 946 . 8 1 1 A 97 97 GLU N N 97 118.606 117.459 1.147 1
1 947 . 8 1 1 A 98 98 ILE H H 98 8.118 8.040 0.078 1
1 948 . 8 1 1 A 98 98 ILE HA H 98 3.657 3.716 -0.059 1
1 958 . 8 1 1 A 98 98 ILE C C 98 178.015 177.843 0.172 1
1 959 . 8 1 1 A 98 98 ILE CA C 98 64.831 65.527 -0.696 1
1 960 . 8 1 1 A 98 98 ILE CB C 98 38.402 37.990 0.412 1
1 964 . 8 1 1 A 98 98 ILE N N 98 122.339 120.809 1.530 1
1 965 . 8 1 1 A 99 99 ALA H H 99 8.117 8.529 -0.412 1
1 966 . 8 1 1 A 99 99 ALA HA H 99 4.210 3.926 0.284 1
1 970 . 8 1 1 A 99 99 ALA C C 99 178.762 179.138 -0.376 1
1 971 . 8 1 1 A 99 99 ALA CA C 99 55.360 55.449 -0.089 1
1 972 . 8 1 1 A 99 99 ALA CB C 99 17.499 18.051 -0.552 1
1 973 . 8 1 1 A 99 99 ALA N N 99 122.357 122.499 -0.142 1
1 974 . 8 1 1 A 100 100 GLU H H 100 8.345 8.415 -0.070 1
1 975 . 8 1 1 A 100 100 GLU HA H 100 3.787 3.976 -0.189 1
1 978 . 8 1 1 A 100 100 GLU C C 100 178.463 178.412 0.051 1
1 979 . 8 1 1 A 100 100 GLU CA C 100 59.063 59.172 -0.109 1
1 980 . 8 1 1 A 100 100 GLU CB C 100 29.670 29.334 0.336 1
1 981 . 8 1 1 A 100 100 GLU N N 100 118.391 117.702 0.689 1
1 982 . 8 1 1 A 101 101 ALA H H 101 7.693 8.451 -0.758 1
1 983 . 8 1 1 A 101 101 ALA HA H 101 4.111 4.051 0.060 1
1 987 . 8 1 1 A 101 101 ALA C C 101 180.967 179.583 1.384 1
1 988 . 8 1 1 A 101 101 ALA CA C 101 54.383 55.252 -0.869 1
1 989 . 8 1 1 A 101 101 ALA CB C 101 18.097 18.124 -0.027 1
1 990 . 8 1 1 A 101 101 ALA N N 101 120.699 121.123 -0.424 1
1 991 . 8 1 1 A 102 102 ARG H H 102 7.959 8.613 -0.654 1
1 992 . 8 1 1 A 102 102 ARG HA H 102 3.705 4.012 -0.307 1
1 993 . 8 1 1 A 102 102 ARG C C 102 178.310 178.113 0.197 1
1 994 . 8 1 1 A 102 102 ARG CA C 102 57.696 59.218 -1.522 1
1 995 . 8 1 1 A 102 102 ARG CB C 102 28.404 29.916 -1.512 1
1 996 . 8 1 1 A 102 102 ARG N N 102 118.386 118.892 -0.506 1
1 997 . 8 1 1 A 103 103 ALA H H 103 7.896 8.666 -0.770 1
1 998 . 8 1 1 A 103 103 ALA HA H 103 4.108 4.308 -0.200 1
1 1002 . 8 1 1 A 103 103 ALA C C 103 178.184 179.379 -1.195 1
1 1003 . 8 1 1 A 103 103 ALA CA C 103 54.210 55.369 -1.159 1
1 1004 . 8 1 1 A 103 103 ALA CB C 103 18.430 18.272 0.158 1
1 1005 . 8 1 1 A 103 103 ALA N N 103 120.630 121.255 -0.625 1
1 1006 . 8 1 1 A 104 104 LYS H H 104 7.337 7.923 -0.586 1
1 1007 . 8 1 1 A 104 104 LYS HA H 104 4.150 4.092 0.058 1
1 1013 . 8 1 1 A 104 104 LYS C C 104 177.211 177.580 -0.369 1
1 1014 . 8 1 1 A 104 104 LYS CA C 104 56.429 59.311 -2.882 1
1 1015 . 8 1 1 A 104 104 LYS CB C 104 32.810 32.291 0.519 1
1 1018 . 8 1 1 A 104 104 LYS N N 104 115.288 118.500 -3.212 1
1 1019 . 8 1 1 A 105 105 LEU H H 105 7.511 7.762 -0.251 1
1 1020 . 8 1 1 A 105 105 LEU HA H 105 4.162 4.353 -0.191 1
1 1030 . 8 1 1 A 105 105 LEU C C 105 177.260 176.754 0.506 1
1 1031 . 8 1 1 A 105 105 LEU CA C 105 56.227 54.956 1.271 1
1 1032 . 8 1 1 A 105 105 LEU CB C 105 42.365 42.497 -0.132 1
1 1036 . 8 1 1 A 105 105 LEU N N 105 120.938 119.412 1.526 1
1 1037 . 8 1 1 A 106 106 GLU H H 106 8.283 8.767 -0.484 1
1 1038 . 8 1 1 A 106 106 GLU HA H 106 4.167 4.314 -0.147 1
1 1041 . 8 1 1 A 106 106 GLU C C 106 173.877 176.145 -2.268 1
1 1042 . 8 1 1 A 106 106 GLU CA C 106 55.862 58.716 -2.854 1
1 1043 . 8 1 1 A 106 106 GLU CB C 106 30.289 30.902 -0.613 1
1 1044 . 8 1 1 A 106 106 GLU N N 106 121.004 127.971 -6.967 1
1 1045 . 8 1 1 A 107 107 HIS H H 107 8.128 7.663 0.465 1
1 1046 . 8 1 1 A 107 107 HIS CA C 107 57.258 56.174 1.084 1
1 1047 . 8 1 1 A 107 107 HIS CB C 107 30.252 32.696 -2.444 1
1 1 . 9 1 1 A 6 6 PRO HA H 6 4.310 4.735 -0.425 1
1 8 . 9 1 1 A 6 6 PRO C C 6 177.583 177.362 0.221 1
1 9 . 9 1 1 A 6 6 PRO CA C 6 65.455 63.992 1.463 1
1 10 . 9 1 1 A 6 6 PRO CB C 6 31.231 31.982 -0.751 1
1 13 . 9 1 1 A 7 7 GLU H H 7 8.058 8.692 -0.634 1
1 14 . 9 1 1 A 7 7 GLU HA H 7 4.314 4.654 -0.340 1
1 15 . 9 1 1 A 7 7 GLU C C 7 178.814 179.380 -0.566 1
1 16 . 9 1 1 A 7 7 GLU CA C 7 58.577 59.146 -0.569 1
1 17 . 9 1 1 A 7 7 GLU CB C 7 29.806 28.820 0.986 1
1 18 . 9 1 1 A 7 7 GLU N N 7 116.393 121.488 -5.095 1
1 19 . 9 1 1 A 8 8 GLU H H 8 7.458 8.280 -0.822 1
1 20 . 9 1 1 A 8 8 GLU HA H 8 4.029 4.307 -0.278 1
1 21 . 9 1 1 A 8 8 GLU C C 8 179.794 178.911 0.883 1
1 22 . 9 1 1 A 8 8 GLU CA C 8 59.369 59.285 0.084 1
1 23 . 9 1 1 A 8 8 GLU CB C 8 29.455 29.133 0.322 1
1 24 . 9 1 1 A 8 8 GLU N N 8 117.887 120.530 -2.643 1
1 25 . 9 1 1 A 9 9 TYR H H 9 6.889 8.427 -1.538 1
1 26 . 9 1 1 A 9 9 TYR HA H 9 4.301 4.339 -0.038 1
1 33 . 9 1 1 A 9 9 TYR C C 9 177.756 178.311 -0.555 1
1 34 . 9 1 1 A 9 9 TYR CA C 9 60.754 60.469 0.285 1
1 35 . 9 1 1 A 9 9 TYR CB C 9 37.319 37.851 -0.532 1
1 36 . 9 1 1 A 9 9 TYR N N 9 117.876 120.322 -2.446 1
1 37 . 9 1 1 A 10 10 TYR H H 10 8.138 8.536 -0.398 1
1 38 . 9 1 1 A 10 10 TYR HA H 10 4.018 4.409 -0.391 1
1 45 . 9 1 1 A 10 10 TYR C C 10 176.231 177.504 -1.273 1
1 46 . 9 1 1 A 10 10 TYR CA C 10 62.031 60.051 1.980 1
1 47 . 9 1 1 A 10 10 TYR CB C 10 38.951 37.164 1.787 1
1 48 . 9 1 1 A 10 10 TYR N N 10 118.874 120.154 -1.280 1
1 49 . 9 1 1 A 11 11 LEU H H 11 8.597 7.690 0.907 1
1 50 . 9 1 1 A 11 11 LEU HA H 11 3.797 3.410 0.387 1
1 60 . 9 1 1 A 11 11 LEU C C 11 180.257 178.059 2.198 1
1 61 . 9 1 1 A 11 11 LEU CA C 11 58.295 57.297 0.998 1
1 62 . 9 1 1 A 11 11 LEU CB C 11 41.541 41.241 0.300 1
1 66 . 9 1 1 A 11 11 LEU N N 11 119.267 119.219 0.048 1
1 67 . 9 1 1 A 12 12 GLU H H 12 7.640 8.381 -0.741 1
1 68 . 9 1 1 A 12 12 GLU HA H 12 4.033 4.020 0.013 1
1 69 . 9 1 1 A 12 12 GLU C C 12 179.050 179.252 -0.202 1
1 70 . 9 1 1 A 12 12 GLU CA C 12 59.137 58.898 0.239 1
1 71 . 9 1 1 A 12 12 GLU CB C 12 29.351 29.341 0.010 1
1 72 . 9 1 1 A 12 12 GLU N N 12 119.459 121.012 -1.553 1
1 73 . 9 1 1 A 13 13 GLY H H 13 8.624 8.600 0.024 1
1 74 . 9 1 1 A 13 13 GLY HA2 H 13 3.083 3.732 -0.649 1
1 75 . 9 1 1 A 13 13 GLY HA3 H 13 2.863 3.766 -0.903 1
1 76 . 9 1 1 A 13 13 GLY C C 13 175.651 176.199 -0.548 1
1 77 . 9 1 1 A 13 13 GLY CA C 13 48.592 47.243 1.349 1
1 78 . 9 1 1 A 13 13 GLY N N 13 110.175 109.852 0.323 1
1 79 . 9 1 1 A 14 14 VAL H H 14 8.757 7.494 1.263 1
1 80 . 9 1 1 A 14 14 VAL HA H 14 3.532 3.706 -0.174 1
1 88 . 9 1 1 A 14 14 VAL C C 14 177.103 177.500 -0.397 1
1 89 . 9 1 1 A 14 14 VAL CA C 14 67.661 65.688 1.973 1
1 90 . 9 1 1 A 14 14 VAL CB C 14 31.430 31.590 -0.160 1
1 93 . 9 1 1 A 14 14 VAL N N 14 124.361 121.712 2.649 1
1 94 . 9 1 1 A 15 15 LEU H H 15 7.555 7.747 -0.192 1
1 95 . 9 1 1 A 15 15 LEU HA H 15 4.089 3.899 0.190 1
1 105 . 9 1 1 A 15 15 LEU C C 15 181.353 178.904 2.449 1
1 106 . 9 1 1 A 15 15 LEU CA C 15 58.775 57.986 0.789 1
1 107 . 9 1 1 A 15 15 LEU CB C 15 39.871 41.621 -1.750 1
1 111 . 9 1 1 A 15 15 LEU N N 15 119.975 119.595 0.380 1
1 112 . 9 1 1 A 16 16 GLN H H 16 7.878 8.019 -0.141 1
1 113 . 9 1 1 A 16 16 GLN C C 16 177.675 177.267 0.408 1
1 114 . 9 1 1 A 16 16 GLN CA C 16 58.023 59.150 -1.127 1
1 115 . 9 1 1 A 16 16 GLN CB C 16 27.162 28.568 -1.406 1
1 116 . 9 1 1 A 16 16 GLN N N 16 117.171 117.663 -0.492 1
1 117 . 9 1 1 A 17 17 TYR H H 17 9.044 7.999 1.045 1
1 118 . 9 1 1 A 17 17 TYR HA H 17 3.637 4.121 -0.484 1
1 125 . 9 1 1 A 17 17 TYR C C 17 179.591 176.524 3.067 1
1 126 . 9 1 1 A 17 17 TYR CA C 17 62.233 61.834 0.399 1
1 127 . 9 1 1 A 17 17 TYR CB C 17 38.759 38.574 0.185 1
1 128 . 9 1 1 A 17 17 TYR N N 17 124.139 120.968 3.171 1
1 129 . 9 1 1 A 18 18 ASP H H 18 9.408 8.763 0.645 1
1 130 . 9 1 1 A 18 18 ASP HA H 18 4.392 4.401 -0.009 1
1 133 . 9 1 1 A 18 18 ASP C C 18 177.432 177.520 -0.088 1
1 134 . 9 1 1 A 18 18 ASP CA C 18 57.155 56.917 0.238 1
1 135 . 9 1 1 A 18 18 ASP CB C 18 39.901 40.869 -0.968 1
1 136 . 9 1 1 A 18 18 ASP N N 18 122.934 119.014 3.920 1
1 137 . 9 1 1 A 19 19 ALA H H 19 7.264 8.284 -1.020 1
1 138 . 9 1 1 A 19 19 ALA HA H 19 4.294 4.645 -0.351 1
1 142 . 9 1 1 A 19 19 ALA C C 19 177.336 177.109 0.227 1
1 143 . 9 1 1 A 19 19 ALA CA C 19 52.171 50.884 1.287 1
1 144 . 9 1 1 A 19 19 ALA CB C 19 18.870 19.303 -0.433 1
1 145 . 9 1 1 A 19 19 ALA N N 19 119.827 120.083 -0.256 1
1 146 . 9 1 1 A 20 20 GLY H H 20 7.667 8.530 -0.863 1
1 147 . 9 1 1 A 20 20 GLY HA2 H 20 3.844 4.132 -0.288 1
1 148 . 9 1 1 A 20 20 GLY HA3 H 20 2.653 4.170 -1.517 1
1 149 . 9 1 1 A 20 20 GLY C C 20 173.498 174.775 -1.277 1
1 150 . 9 1 1 A 20 20 GLY CA C 20 44.003 45.804 -1.801 1
1 151 . 9 1 1 A 20 20 GLY N N 20 106.574 106.824 -0.250 1
1 152 . 9 1 1 A 21 21 ASN H H 21 7.998 7.936 0.062 1
1 153 . 9 1 1 A 21 21 ASN HA H 21 4.884 4.197 0.687 1
1 156 . 9 1 1 A 21 21 ASN C C 21 175.654 175.225 0.429 1
1 157 . 9 1 1 A 21 21 ASN CA C 21 50.397 54.299 -3.902 1
1 158 . 9 1 1 A 21 21 ASN CB C 21 35.866 36.425 -0.559 1
1 159 . 9 1 1 A 21 21 ASN N N 21 121.852 115.892 5.960 1
1 160 . 9 1 1 A 22 22 TYR H H 22 7.024 7.888 -0.864 1
1 161 . 9 1 1 A 22 22 TYR HA H 22 4.203 4.217 -0.014 1
1 166 . 9 1 1 A 22 22 TYR C C 22 179.639 178.250 1.389 1
1 167 . 9 1 1 A 22 22 TYR CA C 22 61.732 60.876 0.856 1
1 168 . 9 1 1 A 22 22 TYR CB C 22 37.840 37.087 0.753 1
1 169 . 9 1 1 A 22 22 TYR N N 22 119.554 118.042 1.512 1
1 170 . 9 1 1 A 23 23 THR H H 23 9.025 7.142 1.883 1
1 171 . 9 1 1 A 23 23 THR HA H 23 3.742 4.069 -0.327 1
1 176 . 9 1 1 A 23 23 THR C C 23 176.384 176.342 0.042 1
1 177 . 9 1 1 A 23 23 THR CA C 23 67.528 67.333 0.195 1
1 178 . 9 1 1 A 23 23 THR CB C 23 67.962 68.145 -0.183 1
1 180 . 9 1 1 A 23 23 THR N N 23 117.377 115.618 1.759 1
1 181 . 9 1 1 A 24 24 GLU H H 24 8.762 7.726 1.036 1
1 182 . 9 1 1 A 24 24 GLU HA H 24 3.959 3.885 0.074 1
1 183 . 9 1 1 A 24 24 GLU C C 24 179.843 179.290 0.553 1
1 184 . 9 1 1 A 24 24 GLU CA C 24 60.243 59.679 0.564 1
1 185 . 9 1 1 A 24 24 GLU CB C 24 28.510 29.461 -0.951 1
1 186 . 9 1 1 A 24 24 GLU N N 24 123.212 120.290 2.922 1
1 187 . 9 1 1 A 25 25 SER H H 25 8.152 8.644 -0.492 1
1 188 . 9 1 1 A 25 25 SER HA H 25 4.057 4.283 -0.226 1
1 190 . 9 1 1 A 25 25 SER C C 25 174.017 176.925 -2.908 1
1 191 . 9 1 1 A 25 25 SER CA C 25 62.319 61.658 0.661 1
1 192 . 9 1 1 A 25 25 SER CB C 25 62.345 62.596 -0.251 1
1 193 . 9 1 1 A 25 25 SER N N 25 115.914 114.104 1.810 1
1 194 . 9 1 1 A 26 26 ILE H H 26 7.593 7.808 -0.215 1
1 195 . 9 1 1 A 26 26 ILE HA H 26 3.560 3.897 -0.337 1
1 204 . 9 1 1 A 26 26 ILE C C 26 176.788 177.383 -0.595 1
1 205 . 9 1 1 A 26 26 ILE CA C 26 66.713 64.010 2.703 1
1 206 . 9 1 1 A 26 26 ILE CB C 26 36.519 37.498 -0.979 1
1 210 . 9 1 1 A 26 26 ILE N N 26 122.676 123.747 -1.071 1
1 211 . 9 1 1 A 27 27 ASP H H 27 6.944 8.512 -1.568 1
1 212 . 9 1 1 A 27 27 ASP HA H 27 4.239 4.371 -0.132 1
1 214 . 9 1 1 A 27 27 ASP C C 27 178.538 178.686 -0.148 1
1 215 . 9 1 1 A 27 27 ASP CA C 27 57.449 57.755 -0.306 1
1 216 . 9 1 1 A 27 27 ASP CB C 27 40.758 41.240 -0.482 1
1 217 . 9 1 1 A 27 27 ASP N N 27 118.062 121.956 -3.894 1
1 218 . 9 1 1 A 28 28 LEU H H 28 6.971 8.441 -1.470 1
1 219 . 9 1 1 A 28 28 LEU HA H 28 3.776 4.095 -0.319 1
1 229 . 9 1 1 A 28 28 LEU C C 28 178.716 179.336 -0.620 1
1 230 . 9 1 1 A 28 28 LEU CA C 28 58.135 58.171 -0.036 1
1 231 . 9 1 1 A 28 28 LEU CB C 28 40.491 42.165 -1.674 1
1 235 . 9 1 1 A 28 28 LEU N N 28 120.290 120.412 -0.122 1
1 236 . 9 1 1 A 29 29 PHE H H 29 8.520 8.789 -0.269 1
1 237 . 9 1 1 A 29 29 PHE HA H 29 4.324 4.106 0.218 1
1 240 . 9 1 1 A 29 29 PHE C C 29 178.284 177.493 0.791 1
1 241 . 9 1 1 A 29 29 PHE CA C 29 59.548 62.049 -2.501 1
1 242 . 9 1 1 A 29 29 PHE CB C 29 37.576 39.307 -1.731 1
1 243 . 9 1 1 A 29 29 PHE N N 29 118.434 118.754 -0.320 1
1 244 . 9 1 1 A 30 30 GLU H H 30 8.779 8.794 -0.015 1
1 245 . 9 1 1 A 30 30 GLU HA H 30 3.795 3.329 0.466 1
1 246 . 9 1 1 A 30 30 GLU C C 30 178.966 178.862 0.104 1
1 247 . 9 1 1 A 30 30 GLU CA C 30 59.452 59.754 -0.302 1
1 248 . 9 1 1 A 30 30 GLU CB C 30 29.049 28.915 0.134 1
1 249 . 9 1 1 A 30 30 GLU N N 30 117.548 117.866 -0.318 1
1 250 . 9 1 1 A 31 31 LYS H H 31 7.318 7.809 -0.491 1
1 251 . 9 1 1 A 31 31 LYS HA H 31 3.668 3.848 -0.180 1
1 259 . 9 1 1 A 31 31 LYS C C 31 178.665 178.628 0.037 1
1 260 . 9 1 1 A 31 31 LYS CA C 31 59.401 59.159 0.242 1
1 261 . 9 1 1 A 31 31 LYS CB C 31 31.113 32.040 -0.927 1
1 264 . 9 1 1 A 31 31 LYS N N 31 120.410 119.405 1.005 1
1 265 . 9 1 1 A 32 32 ALA H H 32 7.311 7.442 -0.131 1
1 266 . 9 1 1 A 32 32 ALA HA H 32 3.859 3.467 0.392 1
1 270 . 9 1 1 A 32 32 ALA C C 32 178.384 179.625 -1.241 1
1 271 . 9 1 1 A 32 32 ALA CA C 32 54.697 54.693 0.004 1
1 272 . 9 1 1 A 32 32 ALA CB C 32 15.999 17.866 -1.867 1
1 273 . 9 1 1 A 32 32 ALA N N 32 121.277 121.347 -0.070 1
1 274 . 9 1 1 A 33 33 ILE H H 33 8.114 7.275 0.839 1
1 275 . 9 1 1 A 33 33 ILE HA H 33 3.469 3.442 0.027 1
1 285 . 9 1 1 A 33 33 ILE C C 33 176.970 177.680 -0.710 1
1 286 . 9 1 1 A 33 33 ILE CA C 33 64.857 64.661 0.196 1
1 287 . 9 1 1 A 33 33 ILE CB C 33 38.669 36.949 1.720 1
1 291 . 9 1 1 A 33 33 ILE N N 33 118.905 117.333 1.572 1
1 292 . 9 1 1 A 34 34 GLN H H 34 7.790 7.683 0.107 1
1 293 . 9 1 1 A 34 34 GLN HA H 34 3.853 3.842 0.011 1
1 296 . 9 1 1 A 34 34 GLN C C 34 178.320 178.139 0.181 1
1 297 . 9 1 1 A 34 34 GLN CA C 34 57.696 59.112 -1.416 1
1 298 . 9 1 1 A 34 34 GLN CB C 34 28.457 27.937 0.520 1
1 299 . 9 1 1 A 34 34 GLN N N 34 115.405 120.579 -5.174 1
1 300 . 9 1 1 A 35 35 LEU H H 35 7.092 7.139 -0.047 1
1 301 . 9 1 1 A 35 35 LEU HA H 35 4.354 4.109 0.245 1
1 311 . 9 1 1 A 35 35 LEU C C 35 177.841 176.478 1.363 1
1 312 . 9 1 1 A 35 35 LEU CA C 35 56.273 56.478 -0.205 1
1 313 . 9 1 1 A 35 35 LEU CB C 35 43.490 42.979 0.511 1
1 317 . 9 1 1 A 35 35 LEU N N 35 116.678 118.268 -1.590 1
1 318 . 9 1 1 A 36 36 ASP H H 36 8.367 7.771 0.596 1
1 319 . 9 1 1 A 36 36 ASP CA C 36 52.138 51.174 0.964 1
1 320 . 9 1 1 A 36 36 ASP CB C 36 41.549 41.990 -0.441 1
1 321 . 9 1 1 A 36 36 ASP N N 36 117.682 118.220 -0.538 1
1 322 . 9 1 1 A 37 37 PRO HA H 37 4.940 4.791 0.149 1
1 329 . 9 1 1 A 37 37 PRO C C 37 178.088 176.572 1.516 1
1 330 . 9 1 1 A 37 37 PRO CA C 37 64.272 62.425 1.847 1
1 331 . 9 1 1 A 37 37 PRO CB C 37 32.155 29.529 2.626 1
1 334 . 9 1 1 A 38 38 GLU H H 38 7.853 8.183 -0.330 1
1 335 . 9 1 1 A 38 38 GLU HA H 38 4.436 4.727 -0.291 1
1 337 . 9 1 1 A 38 38 GLU C C 38 174.874 176.485 -1.611 1
1 338 . 9 1 1 A 38 38 GLU CA C 38 56.200 56.499 -0.299 1
1 339 . 9 1 1 A 38 38 GLU CB C 38 29.589 31.603 -2.014 1
1 340 . 9 1 1 A 38 38 GLU N N 38 116.933 119.295 -2.362 1
1 341 . 9 1 1 A 39 39 GLU H H 39 6.992 7.717 -0.725 1
1 342 . 9 1 1 A 39 39 GLU HA H 39 4.313 4.642 -0.329 1
1 343 . 9 1 1 A 39 39 GLU C C 39 176.082 176.706 -0.624 1
1 344 . 9 1 1 A 39 39 GLU CA C 39 54.591 55.573 -0.982 1
1 345 . 9 1 1 A 39 39 GLU CB C 39 29.177 28.843 0.334 1
1 346 . 9 1 1 A 39 39 GLU N N 39 119.900 122.180 -2.280 1
1 347 . 9 1 1 A 40 40 SER H H 40 8.458 8.312 0.146 1
1 348 . 9 1 1 A 40 40 SER HA H 40 4.103 4.442 -0.339 1
1 350 . 9 1 1 A 40 40 SER C C 40 176.323 177.334 -1.011 1
1 351 . 9 1 1 A 40 40 SER CA C 40 61.929 61.709 0.220 1
1 352 . 9 1 1 A 40 40 SER CB C 40 63.232 63.086 0.146 1
1 353 . 9 1 1 A 40 40 SER N N 40 125.619 121.659 3.960 1
1 354 . 9 1 1 A 41 41 LYS H H 41 9.248 8.332 0.916 1
1 355 . 9 1 1 A 41 41 LYS HA H 41 4.068 4.054 0.014 1
1 358 . 9 1 1 A 41 41 LYS C C 41 177.520 178.468 -0.948 1
1 359 . 9 1 1 A 41 41 LYS CA C 41 59.259 59.673 -0.414 1
1 360 . 9 1 1 A 41 41 LYS CB C 41 31.161 32.425 -1.264 1
1 361 . 9 1 1 A 41 41 LYS N N 41 119.120 121.523 -2.403 1
1 362 . 9 1 1 A 42 42 TYR H H 42 6.924 8.205 -1.281 1
1 363 . 9 1 1 A 42 42 TYR HA H 42 4.301 4.400 -0.099 1
1 368 . 9 1 1 A 42 42 TYR C C 42 177.269 178.367 -1.098 1
1 369 . 9 1 1 A 42 42 TYR CA C 42 57.603 60.702 -3.099 1
1 370 . 9 1 1 A 42 42 TYR CB C 42 37.063 38.606 -1.543 1
1 371 . 9 1 1 A 42 42 TYR N N 42 118.666 117.950 0.716 1
1 372 . 9 1 1 A 43 43 TRP H H 43 6.662 8.270 -1.608 1
1 373 . 9 1 1 A 43 43 TRP HA H 43 3.910 4.601 -0.691 1
1 378 . 9 1 1 A 43 43 TRP C C 43 178.823 178.694 0.129 1
1 379 . 9 1 1 A 43 43 TRP CA C 43 59.953 60.487 -0.534 1
1 380 . 9 1 1 A 43 43 TRP CB C 43 30.759 29.336 1.423 1
1 381 . 9 1 1 A 43 43 TRP N N 43 118.990 120.612 -1.622 1
1 383 . 9 1 1 A 44 44 LEU H H 44 8.412 8.454 -0.042 1
1 384 . 9 1 1 A 44 44 LEU HA H 44 4.112 4.116 -0.004 1
1 394 . 9 1 1 A 44 44 LEU C C 44 177.758 178.793 -1.035 1
1 395 . 9 1 1 A 44 44 LEU CA C 44 58.613 58.204 0.409 1
1 396 . 9 1 1 A 44 44 LEU CB C 44 42.004 41.296 0.708 1
1 400 . 9 1 1 A 44 44 LEU N N 44 118.970 121.809 -2.839 1
1 401 . 9 1 1 A 45 45 MET H H 45 7.403 8.273 -0.870 1
1 402 . 9 1 1 A 45 45 MET HA H 45 4.270 4.009 0.261 1
1 403 . 9 1 1 A 45 45 MET C C 45 177.749 178.219 -0.470 1
1 404 . 9 1 1 A 45 45 MET CA C 45 55.159 59.110 -3.951 1
1 405 . 9 1 1 A 45 45 MET CB C 45 26.925 32.828 -5.903 1
1 406 . 9 1 1 A 45 45 MET N N 45 113.618 117.236 -3.618 1
1 407 . 9 1 1 A 46 46 LYS H H 46 7.623 7.982 -0.359 1
1 408 . 9 1 1 A 46 46 LYS HA H 46 3.906 3.560 0.346 1
1 409 . 9 1 1 A 46 46 LYS C C 46 178.056 179.311 -1.255 1
1 410 . 9 1 1 A 46 46 LYS CA C 46 61.394 59.630 1.764 1
1 411 . 9 1 1 A 46 46 LYS CB C 46 32.442 31.927 0.515 1
1 412 . 9 1 1 A 46 46 LYS N N 46 119.840 120.205 -0.365 1
1 413 . 9 1 1 A 47 47 GLY H H 47 8.495 7.955 0.540 1
1 414 . 9 1 1 A 47 47 GLY HA2 H 47 3.730 3.840 -0.110 1
1 415 . 9 1 1 A 47 47 GLY HA3 H 47 3.612 3.867 -0.255 1
1 416 . 9 1 1 A 47 47 GLY C C 47 175.340 175.711 -0.371 1
1 417 . 9 1 1 A 47 47 GLY CA C 47 47.689 47.334 0.355 1
1 418 . 9 1 1 A 47 47 GLY N N 47 105.741 107.234 -1.493 1
1 419 . 9 1 1 A 48 48 LYS H H 48 8.760 8.210 0.550 1
1 420 . 9 1 1 A 48 48 LYS HA H 48 3.969 4.167 -0.198 1
1 428 . 9 1 1 A 48 48 LYS C C 48 180.425 178.703 1.722 1
1 429 . 9 1 1 A 48 48 LYS CA C 48 60.506 58.999 1.507 1
1 430 . 9 1 1 A 48 48 LYS CB C 48 30.964 32.402 -1.438 1
1 433 . 9 1 1 A 48 48 LYS N N 48 122.568 121.905 0.663 1
1 434 . 9 1 1 A 49 49 ALA H H 49 8.668 8.450 0.218 1
1 435 . 9 1 1 A 49 49 ALA HA H 49 4.084 4.023 0.061 1
1 439 . 9 1 1 A 49 49 ALA C C 49 178.870 180.227 -1.357 1
1 440 . 9 1 1 A 49 49 ALA CA C 49 55.777 55.005 0.772 1
1 441 . 9 1 1 A 49 49 ALA CB C 49 17.702 18.490 -0.788 1
1 442 . 9 1 1 A 49 49 ALA N N 49 124.484 121.629 2.855 1
1 443 . 9 1 1 A 50 50 LEU H H 50 8.192 8.350 -0.158 1
1 444 . 9 1 1 A 50 50 LEU HA H 50 3.771 3.911 -0.140 1
1 454 . 9 1 1 A 50 50 LEU C C 50 179.839 178.788 1.051 1
1 455 . 9 1 1 A 50 50 LEU CA C 50 58.727 57.756 0.971 1
1 456 . 9 1 1 A 50 50 LEU CB C 50 40.549 41.872 -1.323 1
1 460 . 9 1 1 A 50 50 LEU N N 50 118.843 118.300 0.543 1
1 461 . 9 1 1 A 51 51 TYR H H 51 9.282 8.812 0.470 1
1 462 . 9 1 1 A 51 51 TYR HA H 51 3.557 3.926 -0.369 1
1 469 . 9 1 1 A 51 51 TYR C C 51 179.177 177.842 1.335 1
1 470 . 9 1 1 A 51 51 TYR CA C 51 61.878 62.044 -0.166 1
1 471 . 9 1 1 A 51 51 TYR CB C 51 38.249 38.782 -0.533 1
1 472 . 9 1 1 A 51 51 TYR N N 51 122.719 119.517 3.202 1
1 473 . 9 1 1 A 52 52 ASN H H 52 7.882 8.242 -0.360 1
1 474 . 9 1 1 A 52 52 ASN HA H 52 4.084 3.771 0.313 1
1 477 . 9 1 1 A 52 52 ASN C C 52 175.615 177.287 -1.672 1
1 478 . 9 1 1 A 52 52 ASN CA C 52 55.964 55.998 -0.034 1
1 479 . 9 1 1 A 52 52 ASN CB C 52 37.219 37.526 -0.307 1
1 480 . 9 1 1 A 52 52 ASN N N 52 120.327 117.894 2.433 1
1 481 . 9 1 1 A 53 53 LEU H H 53 7.178 7.461 -0.283 1
1 482 . 9 1 1 A 53 53 LEU HA H 53 4.299 3.949 0.350 1
1 492 . 9 1 1 A 53 53 LEU C C 53 175.095 176.444 -1.349 1
1 493 . 9 1 1 A 53 53 LEU CA C 53 54.112 54.783 -0.671 1
1 494 . 9 1 1 A 53 53 LEU CB C 53 42.548 42.193 0.355 1
1 498 . 9 1 1 A 53 53 LEU N N 53 119.827 117.306 2.521 1
1 499 . 9 1 1 A 54 54 GLU H H 54 7.515 7.989 -0.474 1
1 500 . 9 1 1 A 54 54 GLU C C 54 175.118 175.234 -0.116 1
1 501 . 9 1 1 A 54 54 GLU CA C 54 56.811 57.201 -0.390 1
1 502 . 9 1 1 A 54 54 GLU CB C 54 25.944 27.229 -1.285 1
1 503 . 9 1 1 A 54 54 GLU N N 54 112.799 118.191 -5.392 1
1 504 . 9 1 1 A 55 55 ARG H H 55 7.719 8.047 -0.328 1
1 505 . 9 1 1 A 55 55 ARG HA H 55 4.407 4.397 0.010 1
1 512 . 9 1 1 A 55 55 ARG C C 55 176.820 176.063 0.757 1
1 513 . 9 1 1 A 55 55 ARG CA C 55 54.493 53.700 0.793 1
1 514 . 9 1 1 A 55 55 ARG CB C 55 29.041 28.746 0.295 1
1 517 . 9 1 1 A 55 55 ARG N N 55 122.369 121.059 1.310 1
1 518 . 9 1 1 A 56 56 TYR H H 56 6.403 7.154 -0.751 1
1 519 . 9 1 1 A 56 56 TYR HA H 56 3.879 4.205 -0.326 1
1 526 . 9 1 1 A 56 56 TYR C C 56 177.879 178.188 -0.309 1
1 527 . 9 1 1 A 56 56 TYR CA C 56 62.080 61.220 0.860 1
1 528 . 9 1 1 A 56 56 TYR CB C 56 38.443 38.036 0.407 1
1 529 . 9 1 1 A 56 56 TYR N N 56 117.128 120.640 -3.512 1
1 530 . 9 1 1 A 57 57 GLU H H 57 9.032 8.539 0.493 1
1 531 . 9 1 1 A 57 57 GLU HA H 57 3.865 4.020 -0.155 1
1 532 . 9 1 1 A 57 57 GLU C C 57 179.417 179.367 0.050 1
1 533 . 9 1 1 A 57 57 GLU CA C 57 60.722 59.786 0.936 1
1 534 . 9 1 1 A 57 57 GLU CB C 57 29.124 28.974 0.150 1
1 535 . 9 1 1 A 57 57 GLU N N 57 118.981 120.328 -1.347 1
1 536 . 9 1 1 A 58 58 GLU H H 58 8.286 8.108 0.178 1
1 537 . 9 1 1 A 58 58 GLU HA H 58 4.050 4.046 0.004 1
1 538 . 9 1 1 A 58 58 GLU C C 58 179.476 179.296 0.180 1
1 539 . 9 1 1 A 58 58 GLU CA C 58 59.289 59.517 -0.228 1
1 540 . 9 1 1 A 58 58 GLU CB C 58 31.234 29.306 1.928 1
1 541 . 9 1 1 A 58 58 GLU N N 58 119.123 118.356 0.767 1
1 542 . 9 1 1 A 59 59 ALA H H 59 8.131 8.521 -0.390 1
1 543 . 9 1 1 A 59 59 ALA HA H 59 3.786 4.164 -0.378 1
1 547 . 9 1 1 A 59 59 ALA C C 59 178.281 179.760 -1.479 1
1 548 . 9 1 1 A 59 59 ALA CA C 59 56.324 55.080 1.244 1
1 549 . 9 1 1 A 59 59 ALA CB C 59 17.444 18.579 -1.135 1
1 550 . 9 1 1 A 59 59 ALA N N 59 124.009 123.018 0.991 1
1 551 . 9 1 1 A 60 60 VAL H H 60 8.079 8.445 -0.366 1
1 552 . 9 1 1 A 60 60 VAL HA H 60 3.439 3.432 0.007 1
1 560 . 9 1 1 A 60 60 VAL C C 60 177.323 177.786 -0.463 1
1 561 . 9 1 1 A 60 60 VAL CA C 60 67.410 66.751 0.659 1
1 562 . 9 1 1 A 60 60 VAL CB C 60 31.259 31.367 -0.108 1
1 565 . 9 1 1 A 60 60 VAL N N 60 116.647 118.302 -1.655 1
1 566 . 9 1 1 A 61 61 ASP H H 61 7.737 8.350 -0.613 1
1 567 . 9 1 1 A 61 61 ASP HA H 61 4.446 4.401 0.045 1
1 570 . 9 1 1 A 61 61 ASP C C 61 179.986 178.243 1.743 1
1 571 . 9 1 1 A 61 61 ASP CA C 61 58.123 57.773 0.350 1
1 572 . 9 1 1 A 61 61 ASP CB C 61 40.160 41.687 -1.527 1
1 573 . 9 1 1 A 61 61 ASP N N 61 119.276 119.965 -0.689 1
1 574 . 9 1 1 A 62 62 CYS H H 62 7.387 8.286 -0.899 1
1 575 . 9 1 1 A 62 62 CYS HA H 62 4.337 4.264 0.073 1
1 578 . 9 1 1 A 62 62 CYS C C 62 176.276 176.488 -0.212 1
1 579 . 9 1 1 A 62 62 CYS CA C 62 63.585 62.785 0.800 1
1 580 . 9 1 1 A 62 62 CYS CB C 62 26.441 26.924 -0.483 1
1 581 . 9 1 1 A 62 62 CYS N N 62 118.794 119.020 -0.226 1
1 582 . 9 1 1 A 63 63 TYR H H 63 7.391 9.181 -1.790 1
1 583 . 9 1 1 A 63 63 TYR HA H 63 4.249 4.065 0.184 1
1 588 . 9 1 1 A 63 63 TYR C C 63 178.113 178.201 -0.088 1
1 589 . 9 1 1 A 63 63 TYR CA C 63 57.994 62.072 -4.078 1
1 590 . 9 1 1 A 63 63 TYR CB C 63 36.288 38.859 -2.571 1
1 591 . 9 1 1 A 63 63 TYR N N 63 119.775 122.090 -2.315 1
1 592 . 9 1 1 A 64 64 ASN H H 64 9.121 8.377 0.744 1
1 593 . 9 1 1 A 64 64 ASN HA H 64 4.328 3.964 0.364 1
1 596 . 9 1 1 A 64 64 ASN C C 64 177.346 176.957 0.389 1
1 597 . 9 1 1 A 64 64 ASN CA C 64 54.809 55.865 -1.056 1
1 598 . 9 1 1 A 64 64 ASN CB C 64 36.904 39.162 -2.258 1
1 599 . 9 1 1 A 64 64 ASN N N 64 117.343 117.012 0.331 1
1 600 . 9 1 1 A 65 65 TYR H H 65 7.635 8.515 -0.880 1
1 601 . 9 1 1 A 65 65 TYR HA H 65 3.660 3.919 -0.259 1
1 608 . 9 1 1 A 65 65 TYR C C 65 178.599 176.670 1.929 1
1 609 . 9 1 1 A 65 65 TYR CA C 65 62.267 61.265 1.002 1
1 610 . 9 1 1 A 65 65 TYR CB C 65 37.886 38.404 -0.518 1
1 611 . 9 1 1 A 65 65 TYR N N 65 124.181 120.525 3.656 1
1 612 . 9 1 1 A 66 66 VAL H H 66 7.093 7.917 -0.824 1
1 613 . 9 1 1 A 66 66 VAL HA H 66 3.316 3.457 -0.141 1
1 621 . 9 1 1 A 66 66 VAL C C 66 177.070 178.275 -1.205 1
1 622 . 9 1 1 A 66 66 VAL CA C 66 65.944 66.639 -0.695 1
1 623 . 9 1 1 A 66 66 VAL CB C 66 31.613 31.424 0.189 1
1 626 . 9 1 1 A 66 66 VAL N N 66 119.247 119.065 0.182 1
1 627 . 9 1 1 A 67 67 ILE H H 67 7.640 7.637 0.003 1
1 628 . 9 1 1 A 67 67 ILE HA H 67 3.056 3.485 -0.429 1
1 638 . 9 1 1 A 67 67 ILE C C 67 176.822 178.783 -1.961 1
1 639 . 9 1 1 A 67 67 ILE CA C 67 64.902 64.949 -0.047 1
1 640 . 9 1 1 A 67 67 ILE CB C 67 39.444 37.203 2.241 1
1 644 . 9 1 1 A 67 67 ILE N N 67 117.814 119.777 -1.963 1
1 645 . 9 1 1 A 68 68 ASN H H 68 8.587 8.809 -0.222 1
1 646 . 9 1 1 A 68 68 ASN HA H 68 4.564 4.354 0.210 1
1 649 . 9 1 1 A 68 68 ASN C C 68 176.007 177.222 -1.215 1
1 650 . 9 1 1 A 68 68 ASN CA C 68 54.569 55.752 -1.183 1
1 651 . 9 1 1 A 68 68 ASN CB C 68 39.424 38.797 0.627 1
1 652 . 9 1 1 A 68 68 ASN N N 68 112.692 119.199 -6.507 1
1 653 . 9 1 1 A 69 69 VAL H H 69 7.607 7.615 -0.008 1
1 654 . 9 1 1 A 69 69 VAL HA H 69 3.813 3.437 0.376 1
1 661 . 9 1 1 A 69 69 VAL C C 69 177.490 175.832 1.658 1
1 662 . 9 1 1 A 69 69 VAL CA C 69 64.763 66.311 -1.548 1
1 663 . 9 1 1 A 69 69 VAL CB C 69 30.804 31.418 -0.614 1
1 666 . 9 1 1 A 69 69 VAL N N 69 119.569 118.398 1.171 1
1 667 . 9 1 1 A 70 70 ILE H H 70 7.489 7.618 -0.129 1
1 668 . 9 1 1 A 70 70 ILE HA H 70 3.635 4.363 -0.728 1
1 678 . 9 1 1 A 70 70 ILE C C 70 176.523 175.741 0.782 1
1 679 . 9 1 1 A 70 70 ILE CA C 70 64.090 60.077 4.013 1
1 680 . 9 1 1 A 70 70 ILE CB C 70 37.026 39.532 -2.506 1
1 684 . 9 1 1 A 70 70 ILE N N 70 119.276 119.598 -0.322 1
1 685 . 9 1 1 A 71 71 GLU H H 71 6.641 8.914 -2.273 1
1 686 . 9 1 1 A 71 71 GLU HA H 71 3.865 4.490 -0.625 1
1 690 . 9 1 1 A 71 71 GLU C C 71 176.415 176.494 -0.079 1
1 691 . 9 1 1 A 71 71 GLU CA C 71 57.229 56.097 1.132 1
1 692 . 9 1 1 A 71 71 GLU CB C 71 26.142 29.353 -3.211 1
1 694 . 9 1 1 A 71 71 GLU N N 71 110.179 126.723 -16.544 1
1 695 . 9 1 1 A 72 72 ASP H H 72 7.744 8.318 -0.574 1
1 696 . 9 1 1 A 72 72 ASP HA H 72 4.813 4.510 0.303 1
1 699 . 9 1 1 A 72 72 ASP C C 72 176.230 176.283 -0.053 1
1 700 . 9 1 1 A 72 72 ASP CA C 72 52.203 54.047 -1.844 1
1 701 . 9 1 1 A 72 72 ASP CB C 72 39.256 39.108 0.148 1
1 702 . 9 1 1 A 72 72 ASP N N 72 121.733 119.440 2.293 1
1 703 . 9 1 1 A 73 73 GLU H H 73 7.510 7.744 -0.234 1
1 704 . 9 1 1 A 73 73 GLU HA H 73 3.946 4.555 -0.609 1
1 709 . 9 1 1 A 73 73 GLU C C 73 176.745 175.898 0.847 1
1 710 . 9 1 1 A 73 73 GLU CA C 73 58.303 56.101 2.202 1
1 711 . 9 1 1 A 73 73 GLU CB C 73 30.664 28.970 1.694 1
1 713 . 9 1 1 A 73 73 GLU N N 73 116.724 121.546 -4.822 1
1 714 . 9 1 1 A 74 74 TYR H H 74 8.794 8.933 -0.139 1
1 715 . 9 1 1 A 74 74 TYR HA H 74 4.875 4.817 0.058 1
1 722 . 9 1 1 A 74 74 TYR C C 74 174.879 175.530 -0.651 1
1 723 . 9 1 1 A 74 74 TYR CA C 74 56.732 58.625 -1.893 1
1 724 . 9 1 1 A 74 74 TYR CB C 74 37.069 41.625 -4.556 1
1 725 . 9 1 1 A 74 74 TYR N N 74 120.080 128.069 -7.989 1
1 726 . 9 1 1 A 75 75 ASN H H 75 7.237 7.555 -0.318 1
1 727 . 9 1 1 A 75 75 ASN HA H 75 4.601 4.684 -0.083 1
1 730 . 9 1 1 A 75 75 ASN C C 75 175.146 176.084 -0.938 1
1 731 . 9 1 1 A 75 75 ASN CA C 75 53.124 54.078 -0.954 1
1 732 . 9 1 1 A 75 75 ASN CB C 75 37.755 38.918 -1.163 1
1 733 . 9 1 1 A 75 75 ASN N N 75 118.665 118.534 0.131 1
1 734 . 9 1 1 A 76 76 LYS H H 76 8.672 8.560 0.112 1
1 735 . 9 1 1 A 76 76 LYS HA H 76 4.077 3.913 0.164 1
1 742 . 9 1 1 A 76 76 LYS C C 76 177.773 178.210 -0.437 1
1 743 . 9 1 1 A 76 76 LYS CA C 76 60.060 59.642 0.418 1
1 744 . 9 1 1 A 76 76 LYS CB C 76 37.827 32.147 5.680 1
1 748 . 9 1 1 A 76 76 LYS N N 76 127.868 124.573 3.295 1
1 749 . 9 1 1 A 77 77 ASP H H 77 7.946 8.015 -0.069 1
1 750 . 9 1 1 A 77 77 ASP HA H 77 4.414 4.492 -0.078 1
1 753 . 9 1 1 A 77 77 ASP C C 77 179.265 178.888 0.377 1
1 754 . 9 1 1 A 77 77 ASP CA C 77 57.127 57.090 0.037 1
1 755 . 9 1 1 A 77 77 ASP CB C 77 40.634 40.960 -0.326 1
1 756 . 9 1 1 A 77 77 ASP N N 77 117.883 119.706 -1.823 1
1 757 . 9 1 1 A 78 78 VAL H H 78 7.653 8.267 -0.614 1
1 758 . 9 1 1 A 78 78 VAL HA H 78 3.282 3.626 -0.344 1
1 766 . 9 1 1 A 78 78 VAL C C 78 176.624 178.135 -1.511 1
1 767 . 9 1 1 A 78 78 VAL CA C 78 65.531 66.587 -1.056 1
1 768 . 9 1 1 A 78 78 VAL CB C 78 31.290 31.755 -0.465 1
1 771 . 9 1 1 A 78 78 VAL N N 78 121.259 120.115 1.144 1
1 772 . 9 1 1 A 79 79 TRP H H 79 7.626 8.483 -0.857 1
1 773 . 9 1 1 A 79 79 TRP HA H 79 4.107 4.529 -0.422 1
1 778 . 9 1 1 A 79 79 TRP C C 79 177.932 178.752 -0.820 1
1 779 . 9 1 1 A 79 79 TRP CA C 79 61.491 59.919 1.572 1
1 780 . 9 1 1 A 79 79 TRP CB C 79 28.665 28.957 -0.292 1
1 781 . 9 1 1 A 79 79 TRP N N 79 120.388 120.365 0.023 1
1 783 . 9 1 1 A 80 80 ALA H H 80 8.296 8.717 -0.421 1
1 784 . 9 1 1 A 80 80 ALA HA H 80 3.898 3.912 -0.014 1
1 788 . 9 1 1 A 80 80 ALA C C 80 176.556 179.491 -2.935 1
1 789 . 9 1 1 A 80 80 ALA CA C 80 55.158 55.431 -0.273 1
1 790 . 9 1 1 A 80 80 ALA CB C 80 18.155 18.028 0.127 1
1 791 . 9 1 1 A 80 80 ALA N N 80 120.453 121.442 -0.989 1
1 792 . 9 1 1 A 81 81 ALA H H 81 7.405 8.184 -0.779 1
1 793 . 9 1 1 A 81 81 ALA HA H 81 3.837 3.961 -0.124 1
1 797 . 9 1 1 A 81 81 ALA C C 81 180.646 178.905 1.741 1
1 798 . 9 1 1 A 81 81 ALA CA C 81 55.028 55.589 -0.561 1
1 799 . 9 1 1 A 81 81 ALA CB C 81 15.649 18.370 -2.721 1
1 800 . 9 1 1 A 81 81 ALA N N 81 120.915 120.656 0.259 1
1 801 . 9 1 1 A 82 82 LYS H H 82 8.244 7.874 0.370 1
1 802 . 9 1 1 A 82 82 LYS HA H 82 3.853 3.697 0.156 1
1 811 . 9 1 1 A 82 82 LYS C C 82 177.176 178.304 -1.128 1
1 812 . 9 1 1 A 82 82 LYS CA C 82 60.577 58.920 1.657 1
1 813 . 9 1 1 A 82 82 LYS CB C 82 32.243 31.703 0.540 1
1 816 . 9 1 1 A 82 82 LYS N N 82 121.979 118.333 3.646 1
1 817 . 9 1 1 A 83 83 ALA H H 83 8.422 7.825 0.597 1
1 818 . 9 1 1 A 83 83 ALA HA H 83 3.894 3.999 -0.105 1
1 822 . 9 1 1 A 83 83 ALA C C 83 178.746 179.919 -1.173 1
1 823 . 9 1 1 A 83 83 ALA CA C 83 56.268 55.182 1.086 1
1 824 . 9 1 1 A 83 83 ALA CB C 83 17.700 18.137 -0.437 1
1 825 . 9 1 1 A 83 83 ALA N N 83 121.419 121.694 -0.275 1
1 826 . 9 1 1 A 84 84 ASP H H 84 7.481 7.929 -0.448 1
1 827 . 9 1 1 A 84 84 ASP HA H 84 4.377 4.271 0.106 1
1 828 . 9 1 1 A 84 84 ASP C C 84 178.394 178.002 0.392 1
1 829 . 9 1 1 A 84 84 ASP CA C 84 56.946 56.893 0.053 1
1 830 . 9 1 1 A 84 84 ASP CB C 84 40.351 40.222 0.129 1
1 831 . 9 1 1 A 84 84 ASP N N 84 114.693 119.377 -4.684 1
1 832 . 9 1 1 A 85 85 ALA H H 85 7.680 6.902 0.778 1
1 833 . 9 1 1 A 85 85 ALA HA H 85 4.521 3.731 0.790 1
1 837 . 9 1 1 A 85 85 ALA C C 85 179.100 180.317 -1.217 1
1 838 . 9 1 1 A 85 85 ALA CA C 85 55.819 54.613 1.206 1
1 839 . 9 1 1 A 85 85 ALA CB C 85 19.257 18.194 1.063 1
1 840 . 9 1 1 A 85 85 ALA N N 85 119.105 122.343 -3.238 1
1 841 . 9 1 1 A 86 86 LEU H H 86 8.516 8.039 0.477 1
1 842 . 9 1 1 A 86 86 LEU HA H 86 3.919 3.931 -0.012 1
1 852 . 9 1 1 A 86 86 LEU C C 86 178.767 178.487 0.280 1
1 853 . 9 1 1 A 86 86 LEU CA C 86 48.892 57.181 -8.289 1
1 854 . 9 1 1 A 86 86 LEU CB C 86 43.011 41.261 1.750 1
1 858 . 9 1 1 A 86 86 LEU N N 86 115.208 119.559 -4.351 1
1 859 . 9 1 1 A 87 87 ARG H H 87 7.329 7.678 -0.349 1
1 860 . 9 1 1 A 87 87 ARG HA H 87 3.851 3.859 -0.008 1
1 867 . 9 1 1 A 87 87 ARG C C 87 176.800 175.983 0.817 1
1 868 . 9 1 1 A 87 87 ARG CA C 87 58.315 58.026 0.289 1
1 869 . 9 1 1 A 87 87 ARG CB C 87 27.514 29.777 -2.263 1
1 872 . 9 1 1 A 87 87 ARG N N 87 115.227 119.786 -4.559 1
1 873 . 9 1 1 A 88 88 TYR H H 88 7.201 7.418 -0.217 1
1 874 . 9 1 1 A 88 88 TYR HA H 88 4.193 4.642 -0.449 1
1 881 . 9 1 1 A 88 88 TYR C C 88 174.958 173.815 1.143 1
1 882 . 9 1 1 A 88 88 TYR CA C 88 58.463 57.063 1.400 1
1 883 . 9 1 1 A 88 88 TYR CB C 88 38.457 37.920 0.537 1
1 884 . 9 1 1 A 88 88 TYR N N 88 115.558 116.005 -0.447 1
1 885 . 9 1 1 A 89 89 ILE H H 89 7.374 7.243 0.131 1
1 886 . 9 1 1 A 89 89 ILE HA H 89 4.175 4.752 -0.577 1
1 895 . 9 1 1 A 89 89 ILE C C 89 174.900 174.685 0.215 1
1 896 . 9 1 1 A 89 89 ILE CA C 89 60.978 59.529 1.449 1
1 897 . 9 1 1 A 89 89 ILE CB C 89 38.945 41.812 -2.867 1
1 901 . 9 1 1 A 89 89 ILE N N 89 122.120 120.895 1.225 1
1 902 . 9 1 1 A 90 90 GLU H H 90 8.655 8.493 0.162 1
1 903 . 9 1 1 A 90 90 GLU HA H 90 4.159 4.253 -0.094 1
1 905 . 9 1 1 A 90 90 GLU CA C 90 57.914 57.974 -0.060 1
1 906 . 9 1 1 A 90 90 GLU CB C 90 29.894 29.895 -0.001 1
1 907 . 9 1 1 A 90 90 GLU N N 90 128.417 127.689 0.728 1
1 908 . 9 1 1 A 91 91 GLY H H 91 9.089 8.361 0.728 1
1 909 . 9 1 1 A 91 91 GLY HA2 H 91 4.293 4.237 0.056 1
1 910 . 9 1 1 A 91 91 GLY HA3 H 91 4.039 4.249 -0.210 1
1 911 . 9 1 1 A 91 91 GLY CA C 91 45.756 45.695 0.061 1
1 912 . 9 1 1 A 91 91 GLY N N 91 112.760 111.488 1.272 1
1 913 . 9 1 1 A 93 93 GLU C C 93 176.315 175.717 0.598 1
1 914 . 9 1 1 A 94 94 VAL H H 94 8.288 7.816 0.472 1
1 915 . 9 1 1 A 94 94 VAL HA H 94 3.800 4.425 -0.625 1
1 920 . 9 1 1 A 94 94 VAL C C 94 178.292 177.503 0.789 1
1 921 . 9 1 1 A 94 94 VAL CA C 94 56.374 62.765 -6.391 1
1 922 . 9 1 1 A 94 94 VAL CB C 94 31.630 34.457 -2.827 1
1 923 . 9 1 1 A 94 94 VAL N N 94 119.837 117.952 1.885 1
1 924 . 9 1 1 A 95 95 GLU H H 95 8.207 8.299 -0.092 1
1 925 . 9 1 1 A 95 95 GLU HA H 95 3.931 3.944 -0.013 1
1 927 . 9 1 1 A 95 95 GLU C C 95 179.514 178.753 0.761 1
1 928 . 9 1 1 A 95 95 GLU CA C 95 60.215 59.559 0.656 1
1 929 . 9 1 1 A 95 95 GLU CB C 95 29.419 29.185 0.234 1
1 930 . 9 1 1 A 95 95 GLU N N 95 120.805 122.567 -1.762 1
1 931 . 9 1 1 A 96 96 ALA H H 96 8.839 8.076 0.763 1
1 932 . 9 1 1 A 96 96 ALA HA H 96 4.029 3.978 0.051 1
1 936 . 9 1 1 A 96 96 ALA C C 96 179.047 179.804 -0.757 1
1 937 . 9 1 1 A 96 96 ALA CA C 96 54.866 54.902 -0.036 1
1 938 . 9 1 1 A 96 96 ALA CB C 96 17.667 18.244 -0.577 1
1 939 . 9 1 1 A 96 96 ALA N N 96 123.226 121.926 1.300 1
1 940 . 9 1 1 A 97 97 GLU H H 97 7.763 7.925 -0.162 1
1 941 . 9 1 1 A 97 97 GLU HA H 97 4.055 3.989 0.066 1
1 943 . 9 1 1 A 97 97 GLU C C 97 178.015 179.447 -1.432 1
1 944 . 9 1 1 A 97 97 GLU CA C 97 59.138 59.719 -0.581 1
1 945 . 9 1 1 A 97 97 GLU CB C 97 29.588 29.440 0.148 1
1 946 . 9 1 1 A 97 97 GLU N N 97 118.606 117.956 0.650 1
1 947 . 9 1 1 A 98 98 ILE H H 98 8.118 8.179 -0.061 1
1 948 . 9 1 1 A 98 98 ILE HA H 98 3.657 3.739 -0.082 1
1 958 . 9 1 1 A 98 98 ILE C C 98 178.015 178.133 -0.118 1
1 959 . 9 1 1 A 98 98 ILE CA C 98 64.831 65.504 -0.673 1
1 960 . 9 1 1 A 98 98 ILE CB C 98 38.402 38.005 0.397 1
1 964 . 9 1 1 A 98 98 ILE N N 98 122.339 120.920 1.419 1
1 965 . 9 1 1 A 99 99 ALA H H 99 8.117 8.479 -0.362 1
1 966 . 9 1 1 A 99 99 ALA HA H 99 4.210 4.190 0.020 1
1 970 . 9 1 1 A 99 99 ALA C C 99 178.762 179.064 -0.302 1
1 971 . 9 1 1 A 99 99 ALA CA C 99 55.360 55.837 -0.477 1
1 972 . 9 1 1 A 99 99 ALA CB C 99 17.499 18.253 -0.754 1
1 973 . 9 1 1 A 99 99 ALA N N 99 122.357 122.677 -0.320 1
1 974 . 9 1 1 A 100 100 GLU H H 100 8.345 8.478 -0.133 1
1 975 . 9 1 1 A 100 100 GLU HA H 100 3.787 4.001 -0.214 1
1 978 . 9 1 1 A 100 100 GLU C C 100 178.463 178.621 -0.158 1
1 979 . 9 1 1 A 100 100 GLU CA C 100 59.063 59.312 -0.249 1
1 980 . 9 1 1 A 100 100 GLU CB C 100 29.670 29.303 0.367 1
1 981 . 9 1 1 A 100 100 GLU N N 100 118.391 118.212 0.179 1
1 982 . 9 1 1 A 101 101 ALA H H 101 7.693 8.175 -0.482 1
1 983 . 9 1 1 A 101 101 ALA HA H 101 4.111 3.973 0.138 1
1 987 . 9 1 1 A 101 101 ALA C C 101 180.967 179.498 1.469 1
1 988 . 9 1 1 A 101 101 ALA CA C 101 54.383 55.406 -1.023 1
1 989 . 9 1 1 A 101 101 ALA CB C 101 18.097 18.085 0.012 1
1 990 . 9 1 1 A 101 101 ALA N N 101 120.699 121.478 -0.779 1
1 991 . 9 1 1 A 102 102 ARG H H 102 7.959 8.754 -0.795 1
1 992 . 9 1 1 A 102 102 ARG HA H 102 3.705 3.786 -0.081 1
1 993 . 9 1 1 A 102 102 ARG C C 102 178.310 178.469 -0.159 1
1 994 . 9 1 1 A 102 102 ARG CA C 102 57.696 59.457 -1.761 1
1 995 . 9 1 1 A 102 102 ARG CB C 102 28.404 30.006 -1.602 1
1 996 . 9 1 1 A 102 102 ARG N N 102 118.386 117.767 0.619 1
1 997 . 9 1 1 A 103 103 ALA H H 103 7.896 8.638 -0.742 1
1 998 . 9 1 1 A 103 103 ALA HA H 103 4.108 3.968 0.140 1
1 1002 . 9 1 1 A 103 103 ALA C C 103 178.184 179.908 -1.724 1
1 1003 . 9 1 1 A 103 103 ALA CA C 103 54.210 55.151 -0.941 1
1 1004 . 9 1 1 A 103 103 ALA CB C 103 18.430 18.250 0.180 1
1 1005 . 9 1 1 A 103 103 ALA N N 103 120.630 121.421 -0.791 1
1 1006 . 9 1 1 A 104 104 LYS H H 104 7.337 7.746 -0.409 1
1 1007 . 9 1 1 A 104 104 LYS HA H 104 4.150 4.099 0.051 1
1 1013 . 9 1 1 A 104 104 LYS C C 104 177.211 177.897 -0.686 1
1 1014 . 9 1 1 A 104 104 LYS CA C 104 56.429 59.047 -2.618 1
1 1015 . 9 1 1 A 104 104 LYS CB C 104 32.810 32.739 0.071 1
1 1018 . 9 1 1 A 104 104 LYS N N 104 115.288 118.046 -2.758 1
1 1019 . 9 1 1 A 105 105 LEU H H 105 7.511 7.997 -0.486 1
1 1020 . 9 1 1 A 105 105 LEU HA H 105 4.162 4.246 -0.084 1
1 1030 . 9 1 1 A 105 105 LEU C C 105 177.260 175.700 1.560 1
1 1031 . 9 1 1 A 105 105 LEU CA C 105 56.227 54.821 1.406 1
1 1032 . 9 1 1 A 105 105 LEU CB C 105 42.365 41.910 0.455 1
1 1036 . 9 1 1 A 105 105 LEU N N 105 120.938 119.291 1.647 1
1 1037 . 9 1 1 A 106 106 GLU H H 106 8.283 8.688 -0.405 1
1 1038 . 9 1 1 A 106 106 GLU HA H 106 4.167 4.560 -0.393 1
1 1041 . 9 1 1 A 106 106 GLU C C 106 173.877 176.325 -2.448 1
1 1042 . 9 1 1 A 106 106 GLU CA C 106 55.862 57.108 -1.246 1
1 1043 . 9 1 1 A 106 106 GLU CB C 106 30.289 32.377 -2.088 1
1 1044 . 9 1 1 A 106 106 GLU N N 106 121.004 125.790 -4.786 1
1 1045 . 9 1 1 A 107 107 HIS H H 107 8.128 8.062 0.066 1
1 1046 . 9 1 1 A 107 107 HIS CA C 107 57.258 55.010 2.248 1
1 1047 . 9 1 1 A 107 107 HIS CB C 107 30.252 31.388 -1.136 1
1 1 . 10 1 1 A 6 6 PRO HA H 6 4.310 4.299 0.011 1
1 8 . 10 1 1 A 6 6 PRO C C 6 177.583 177.431 0.152 1
1 9 . 10 1 1 A 6 6 PRO CA C 6 65.455 66.071 -0.616 1
1 10 . 10 1 1 A 6 6 PRO CB C 6 31.231 31.067 0.164 1
1 13 . 10 1 1 A 7 7 GLU H H 7 8.058 8.062 -0.004 1
1 14 . 10 1 1 A 7 7 GLU HA H 7 4.314 4.058 0.256 1
1 15 . 10 1 1 A 7 7 GLU C C 7 178.814 177.298 1.516 1
1 16 . 10 1 1 A 7 7 GLU CA C 7 58.577 59.050 -0.473 1
1 17 . 10 1 1 A 7 7 GLU CB C 7 29.806 27.448 2.358 1
1 18 . 10 1 1 A 7 7 GLU N N 7 116.393 117.179 -0.786 1
1 19 . 10 1 1 A 8 8 GLU H H 8 7.458 9.591 -2.133 1
1 20 . 10 1 1 A 8 8 GLU HA H 8 4.029 4.353 -0.324 1
1 21 . 10 1 1 A 8 8 GLU C C 8 179.794 179.044 0.750 1
1 22 . 10 1 1 A 8 8 GLU CA C 8 59.369 59.121 0.248 1
1 23 . 10 1 1 A 8 8 GLU CB C 8 29.455 29.680 -0.225 1
1 24 . 10 1 1 A 8 8 GLU N N 8 117.887 118.871 -0.984 1
1 25 . 10 1 1 A 9 9 TYR H H 9 6.889 8.742 -1.853 1
1 26 . 10 1 1 A 9 9 TYR HA H 9 4.301 4.411 -0.110 1
1 33 . 10 1 1 A 9 9 TYR C C 9 177.756 177.941 -0.185 1
1 34 . 10 1 1 A 9 9 TYR CA C 9 60.754 60.697 0.057 1
1 35 . 10 1 1 A 9 9 TYR CB C 9 37.319 37.681 -0.362 1
1 36 . 10 1 1 A 9 9 TYR N N 9 117.876 119.655 -1.779 1
1 37 . 10 1 1 A 10 10 TYR H H 10 8.138 8.498 -0.360 1
1 38 . 10 1 1 A 10 10 TYR HA H 10 4.018 4.478 -0.460 1
1 45 . 10 1 1 A 10 10 TYR C C 10 176.231 177.488 -1.257 1
1 46 . 10 1 1 A 10 10 TYR CA C 10 62.031 59.729 2.302 1
1 47 . 10 1 1 A 10 10 TYR CB C 10 38.951 37.245 1.706 1
1 48 . 10 1 1 A 10 10 TYR N N 10 118.874 120.453 -1.579 1
1 49 . 10 1 1 A 11 11 LEU H H 11 8.597 7.643 0.954 1
1 50 . 10 1 1 A 11 11 LEU HA H 11 3.797 3.379 0.418 1
1 60 . 10 1 1 A 11 11 LEU C C 11 180.257 178.518 1.739 1
1 61 . 10 1 1 A 11 11 LEU CA C 11 58.295 57.572 0.723 1
1 62 . 10 1 1 A 11 11 LEU CB C 11 41.541 41.189 0.352 1
1 66 . 10 1 1 A 11 11 LEU N N 11 119.267 119.529 -0.262 1
1 67 . 10 1 1 A 12 12 GLU H H 12 7.640 8.023 -0.383 1
1 68 . 10 1 1 A 12 12 GLU HA H 12 4.033 3.909 0.124 1
1 69 . 10 1 1 A 12 12 GLU C C 12 179.050 179.298 -0.248 1
1 70 . 10 1 1 A 12 12 GLU CA C 12 59.137 59.715 -0.578 1
1 71 . 10 1 1 A 12 12 GLU CB C 12 29.351 29.487 -0.136 1
1 72 . 10 1 1 A 12 12 GLU N N 12 119.459 119.122 0.337 1
1 73 . 10 1 1 A 13 13 GLY H H 13 8.624 8.331 0.293 1
1 74 . 10 1 1 A 13 13 GLY HA2 H 13 3.083 3.814 -0.731 1
1 75 . 10 1 1 A 13 13 GLY HA3 H 13 2.863 3.827 -0.964 1
1 76 . 10 1 1 A 13 13 GLY C C 13 175.651 176.898 -1.247 1
1 77 . 10 1 1 A 13 13 GLY CA C 13 48.592 47.089 1.503 1
1 78 . 10 1 1 A 13 13 GLY N N 13 110.175 107.900 2.275 1
1 79 . 10 1 1 A 14 14 VAL H H 14 8.757 7.794 0.963 1
1 80 . 10 1 1 A 14 14 VAL HA H 14 3.532 3.696 -0.164 1
1 88 . 10 1 1 A 14 14 VAL C C 14 177.103 177.440 -0.337 1
1 89 . 10 1 1 A 14 14 VAL CA C 14 67.661 65.791 1.870 1
1 90 . 10 1 1 A 14 14 VAL CB C 14 31.430 31.612 -0.182 1
1 93 . 10 1 1 A 14 14 VAL N N 14 124.361 121.511 2.850 1
1 94 . 10 1 1 A 15 15 LEU H H 15 7.555 7.771 -0.216 1
1 95 . 10 1 1 A 15 15 LEU HA H 15 4.089 3.852 0.237 1
1 105 . 10 1 1 A 15 15 LEU C C 15 181.353 178.826 2.527 1
1 106 . 10 1 1 A 15 15 LEU CA C 15 58.775 57.973 0.802 1
1 107 . 10 1 1 A 15 15 LEU CB C 15 39.871 41.776 -1.905 1
1 111 . 10 1 1 A 15 15 LEU N N 15 119.975 119.660 0.315 1
1 112 . 10 1 1 A 16 16 GLN H H 16 7.878 7.792 0.086 1
1 113 . 10 1 1 A 16 16 GLN C C 16 177.675 177.277 0.398 1
1 114 . 10 1 1 A 16 16 GLN CA C 16 58.023 59.093 -1.070 1
1 115 . 10 1 1 A 16 16 GLN CB C 16 27.162 28.416 -1.254 1
1 116 . 10 1 1 A 16 16 GLN N N 16 117.171 117.563 -0.392 1
1 117 . 10 1 1 A 17 17 TYR H H 17 9.044 7.948 1.096 1
1 118 . 10 1 1 A 17 17 TYR HA H 17 3.637 4.112 -0.475 1
1 125 . 10 1 1 A 17 17 TYR C C 17 179.591 176.750 2.841 1
1 126 . 10 1 1 A 17 17 TYR CA C 17 62.233 61.755 0.478 1
1 127 . 10 1 1 A 17 17 TYR CB C 17 38.759 38.802 -0.043 1
1 128 . 10 1 1 A 17 17 TYR N N 17 124.139 120.819 3.320 1
1 129 . 10 1 1 A 18 18 ASP H H 18 9.408 8.955 0.453 1
1 130 . 10 1 1 A 18 18 ASP HA H 18 4.392 4.421 -0.029 1
1 133 . 10 1 1 A 18 18 ASP C C 18 177.432 177.424 0.008 1
1 134 . 10 1 1 A 18 18 ASP CA C 18 57.155 56.633 0.522 1
1 135 . 10 1 1 A 18 18 ASP CB C 18 39.901 41.032 -1.131 1
1 136 . 10 1 1 A 18 18 ASP N N 18 122.934 119.141 3.793 1
1 137 . 10 1 1 A 19 19 ALA H H 19 7.264 7.671 -0.407 1
1 138 . 10 1 1 A 19 19 ALA HA H 19 4.294 4.189 0.105 1
1 142 . 10 1 1 A 19 19 ALA C C 19 177.336 177.966 -0.630 1
1 143 . 10 1 1 A 19 19 ALA CA C 19 52.171 51.713 0.458 1
1 144 . 10 1 1 A 19 19 ALA CB C 19 18.870 18.669 0.201 1
1 145 . 10 1 1 A 19 19 ALA N N 19 119.827 120.436 -0.609 1
1 146 . 10 1 1 A 20 20 GLY H H 20 7.667 8.713 -1.046 1
1 147 . 10 1 1 A 20 20 GLY HA2 H 20 3.844 3.578 0.266 1
1 148 . 10 1 1 A 20 20 GLY HA3 H 20 2.653 3.763 -1.110 1
1 149 . 10 1 1 A 20 20 GLY C C 20 173.498 174.824 -1.326 1
1 150 . 10 1 1 A 20 20 GLY CA C 20 44.003 47.102 -3.099 1
1 151 . 10 1 1 A 20 20 GLY N N 20 106.574 111.771 -5.197 1
1 152 . 10 1 1 A 21 21 ASN H H 21 7.998 7.886 0.112 1
1 153 . 10 1 1 A 21 21 ASN HA H 21 4.884 5.082 -0.198 1
1 156 . 10 1 1 A 21 21 ASN C C 21 175.654 175.574 0.080 1
1 157 . 10 1 1 A 21 21 ASN CA C 21 50.397 51.860 -1.463 1
1 158 . 10 1 1 A 21 21 ASN CB C 21 35.866 38.315 -2.449 1
1 159 . 10 1 1 A 21 21 ASN N N 21 121.852 117.346 4.506 1
1 160 . 10 1 1 A 22 22 TYR H H 22 7.024 7.962 -0.938 1
1 161 . 10 1 1 A 22 22 TYR HA H 22 4.203 4.056 0.147 1
1 166 . 10 1 1 A 22 22 TYR C C 22 179.639 177.897 1.742 1
1 167 . 10 1 1 A 22 22 TYR CA C 22 61.732 60.389 1.343 1
1 168 . 10 1 1 A 22 22 TYR CB C 22 37.840 38.277 -0.437 1
1 169 . 10 1 1 A 22 22 TYR N N 22 119.554 122.680 -3.126 1
1 170 . 10 1 1 A 23 23 THR H H 23 9.025 8.291 0.734 1
1 171 . 10 1 1 A 23 23 THR HA H 23 3.742 3.867 -0.125 1
1 176 . 10 1 1 A 23 23 THR C C 23 176.384 176.525 -0.141 1
1 177 . 10 1 1 A 23 23 THR CA C 23 67.528 67.038 0.490 1
1 178 . 10 1 1 A 23 23 THR CB C 23 67.962 68.615 -0.653 1
1 180 . 10 1 1 A 23 23 THR N N 23 117.377 115.905 1.472 1
1 181 . 10 1 1 A 24 24 GLU H H 24 8.762 8.565 0.197 1
1 182 . 10 1 1 A 24 24 GLU HA H 24 3.959 3.913 0.046 1
1 183 . 10 1 1 A 24 24 GLU C C 24 179.843 178.710 1.133 1
1 184 . 10 1 1 A 24 24 GLU CA C 24 60.243 59.722 0.521 1
1 185 . 10 1 1 A 24 24 GLU CB C 24 28.510 29.320 -0.810 1
1 186 . 10 1 1 A 24 24 GLU N N 24 123.212 120.397 2.815 1
1 187 . 10 1 1 A 25 25 SER H H 25 8.152 7.751 0.401 1
1 188 . 10 1 1 A 25 25 SER HA H 25 4.057 4.089 -0.032 1
1 190 . 10 1 1 A 25 25 SER C C 25 174.017 176.014 -1.997 1
1 191 . 10 1 1 A 25 25 SER CA C 25 62.319 62.439 -0.120 1
1 192 . 10 1 1 A 25 25 SER CB C 25 62.345 62.778 -0.433 1
1 193 . 10 1 1 A 25 25 SER N N 25 115.914 116.723 -0.809 1
1 194 . 10 1 1 A 26 26 ILE H H 26 7.593 7.512 0.081 1
1 195 . 10 1 1 A 26 26 ILE HA H 26 3.560 3.474 0.086 1
1 204 . 10 1 1 A 26 26 ILE C C 26 176.788 177.370 -0.582 1
1 205 . 10 1 1 A 26 26 ILE CA C 26 66.713 65.006 1.707 1
1 206 . 10 1 1 A 26 26 ILE CB C 26 36.519 37.343 -0.824 1
1 210 . 10 1 1 A 26 26 ILE N N 26 122.676 121.429 1.247 1
1 211 . 10 1 1 A 27 27 ASP H H 27 6.944 8.124 -1.180 1
1 212 . 10 1 1 A 27 27 ASP HA H 27 4.239 4.617 -0.378 1
1 214 . 10 1 1 A 27 27 ASP C C 27 178.538 178.700 -0.162 1
1 215 . 10 1 1 A 27 27 ASP CA C 27 57.449 57.327 0.122 1
1 216 . 10 1 1 A 27 27 ASP CB C 27 40.758 40.758 0.000 1
1 217 . 10 1 1 A 27 27 ASP N N 27 118.062 120.832 -2.770 1
1 218 . 10 1 1 A 28 28 LEU H H 28 6.971 7.675 -0.704 1
1 219 . 10 1 1 A 28 28 LEU HA H 28 3.776 4.141 -0.365 1
1 229 . 10 1 1 A 28 28 LEU C C 28 178.716 178.989 -0.273 1
1 230 . 10 1 1 A 28 28 LEU CA C 28 58.135 57.823 0.312 1
1 231 . 10 1 1 A 28 28 LEU CB C 28 40.491 41.842 -1.351 1
1 235 . 10 1 1 A 28 28 LEU N N 28 120.290 121.085 -0.795 1
1 236 . 10 1 1 A 29 29 PHE H H 29 8.520 8.913 -0.393 1
1 237 . 10 1 1 A 29 29 PHE HA H 29 4.324 4.473 -0.149 1
1 240 . 10 1 1 A 29 29 PHE C C 29 178.284 178.209 0.075 1
1 241 . 10 1 1 A 29 29 PHE CA C 29 59.548 60.772 -1.224 1
1 242 . 10 1 1 A 29 29 PHE CB C 29 37.576 38.400 -0.824 1
1 243 . 10 1 1 A 29 29 PHE N N 29 118.434 118.557 -0.123 1
1 244 . 10 1 1 A 30 30 GLU H H 30 8.779 8.565 0.214 1
1 245 . 10 1 1 A 30 30 GLU HA H 30 3.795 3.855 -0.060 1
1 246 . 10 1 1 A 30 30 GLU C C 30 178.966 178.910 0.056 1
1 247 . 10 1 1 A 30 30 GLU CA C 30 59.452 60.060 -0.608 1
1 248 . 10 1 1 A 30 30 GLU CB C 30 29.049 29.164 -0.115 1
1 249 . 10 1 1 A 30 30 GLU N N 30 117.548 119.128 -1.580 1
1 250 . 10 1 1 A 31 31 LYS H H 31 7.318 7.942 -0.624 1
1 251 . 10 1 1 A 31 31 LYS HA H 31 3.668 4.020 -0.352 1
1 259 . 10 1 1 A 31 31 LYS C C 31 178.665 178.876 -0.211 1
1 260 . 10 1 1 A 31 31 LYS CA C 31 59.401 59.192 0.209 1
1 261 . 10 1 1 A 31 31 LYS CB C 31 31.113 32.421 -1.308 1
1 264 . 10 1 1 A 31 31 LYS N N 31 120.410 119.743 0.667 1
1 265 . 10 1 1 A 32 32 ALA H H 32 7.311 7.957 -0.646 1
1 266 . 10 1 1 A 32 32 ALA HA H 32 3.859 3.554 0.305 1
1 270 . 10 1 1 A 32 32 ALA C C 32 178.384 179.771 -1.387 1
1 271 . 10 1 1 A 32 32 ALA CA C 32 54.697 54.853 -0.156 1
1 272 . 10 1 1 A 32 32 ALA CB C 32 15.999 18.271 -2.272 1
1 273 . 10 1 1 A 32 32 ALA N N 32 121.277 122.025 -0.748 1
1 274 . 10 1 1 A 33 33 ILE H H 33 8.114 7.936 0.178 1
1 275 . 10 1 1 A 33 33 ILE HA H 33 3.469 3.339 0.130 1
1 285 . 10 1 1 A 33 33 ILE C C 33 176.970 177.878 -0.908 1
1 286 . 10 1 1 A 33 33 ILE CA C 33 64.857 65.129 -0.272 1
1 287 . 10 1 1 A 33 33 ILE CB C 33 38.669 37.504 1.165 1
1 291 . 10 1 1 A 33 33 ILE N N 33 118.905 117.555 1.350 1
1 292 . 10 1 1 A 34 34 GLN H H 34 7.790 7.914 -0.124 1
1 293 . 10 1 1 A 34 34 GLN HA H 34 3.853 3.892 -0.039 1
1 296 . 10 1 1 A 34 34 GLN C C 34 178.320 177.825 0.495 1
1 297 . 10 1 1 A 34 34 GLN CA C 34 57.696 58.930 -1.234 1
1 298 . 10 1 1 A 34 34 GLN CB C 34 28.457 28.247 0.210 1
1 299 . 10 1 1 A 34 34 GLN N N 34 115.405 120.025 -4.620 1
1 300 . 10 1 1 A 35 35 LEU H H 35 7.092 7.004 0.088 1
1 301 . 10 1 1 A 35 35 LEU HA H 35 4.354 4.051 0.303 1
1 311 . 10 1 1 A 35 35 LEU C C 35 177.841 177.343 0.498 1
1 312 . 10 1 1 A 35 35 LEU CA C 35 56.273 56.477 -0.204 1
1 313 . 10 1 1 A 35 35 LEU CB C 35 43.490 42.726 0.764 1
1 317 . 10 1 1 A 35 35 LEU N N 35 116.678 118.007 -1.329 1
1 318 . 10 1 1 A 36 36 ASP H H 36 8.367 7.372 0.995 1
1 319 . 10 1 1 A 36 36 ASP CA C 36 52.138 51.520 0.618 1
1 320 . 10 1 1 A 36 36 ASP CB C 36 41.549 42.368 -0.819 1
1 321 . 10 1 1 A 36 36 ASP N N 36 117.682 115.491 2.191 1
1 322 . 10 1 1 A 37 37 PRO HA H 37 4.940 4.598 0.342 1
1 329 . 10 1 1 A 37 37 PRO C C 37 178.088 177.367 0.721 1
1 330 . 10 1 1 A 37 37 PRO CA C 37 64.272 64.007 0.265 1
1 331 . 10 1 1 A 37 37 PRO CB C 37 32.155 32.379 -0.224 1
1 334 . 10 1 1 A 38 38 GLU H H 38 7.853 8.583 -0.730 1
1 335 . 10 1 1 A 38 38 GLU HA H 38 4.436 4.506 -0.070 1
1 337 . 10 1 1 A 38 38 GLU C C 38 174.874 175.252 -0.378 1
1 338 . 10 1 1 A 38 38 GLU CA C 38 56.200 56.329 -0.129 1
1 339 . 10 1 1 A 38 38 GLU CB C 38 29.589 29.225 0.364 1
1 340 . 10 1 1 A 38 38 GLU N N 38 116.933 118.235 -1.302 1
1 341 . 10 1 1 A 39 39 GLU H H 39 6.992 8.300 -1.308 1
1 342 . 10 1 1 A 39 39 GLU HA H 39 4.313 4.691 -0.378 1
1 343 . 10 1 1 A 39 39 GLU C C 39 176.082 176.354 -0.272 1
1 344 . 10 1 1 A 39 39 GLU CA C 39 54.591 55.250 -0.659 1
1 345 . 10 1 1 A 39 39 GLU CB C 39 29.177 30.468 -1.291 1
1 346 . 10 1 1 A 39 39 GLU N N 39 119.900 120.328 -0.428 1
1 347 . 10 1 1 A 40 40 SER H H 40 8.458 9.036 -0.578 1
1 348 . 10 1 1 A 40 40 SER HA H 40 4.103 4.428 -0.325 1
1 350 . 10 1 1 A 40 40 SER C C 40 176.323 177.170 -0.847 1
1 351 . 10 1 1 A 40 40 SER CA C 40 61.929 61.557 0.372 1
1 352 . 10 1 1 A 40 40 SER CB C 40 63.232 63.093 0.139 1
1 353 . 10 1 1 A 40 40 SER N N 40 125.619 121.748 3.871 1
1 354 . 10 1 1 A 41 41 LYS H H 41 9.248 8.032 1.216 1
1 355 . 10 1 1 A 41 41 LYS HA H 41 4.068 4.267 -0.199 1
1 358 . 10 1 1 A 41 41 LYS C C 41 177.520 179.181 -1.661 1
1 359 . 10 1 1 A 41 41 LYS CA C 41 59.259 58.858 0.401 1
1 360 . 10 1 1 A 41 41 LYS CB C 41 31.161 32.421 -1.260 1
1 361 . 10 1 1 A 41 41 LYS N N 41 119.120 121.098 -1.978 1
1 362 . 10 1 1 A 42 42 TYR H H 42 6.924 8.099 -1.175 1
1 363 . 10 1 1 A 42 42 TYR HA H 42 4.301 4.063 0.238 1
1 368 . 10 1 1 A 42 42 TYR C C 42 177.269 178.099 -0.830 1
1 369 . 10 1 1 A 42 42 TYR CA C 42 57.603 60.199 -2.596 1
1 370 . 10 1 1 A 42 42 TYR CB C 42 37.063 38.283 -1.220 1
1 371 . 10 1 1 A 42 42 TYR N N 42 118.666 118.794 -0.128 1
1 372 . 10 1 1 A 43 43 TRP H H 43 6.662 8.146 -1.484 1
1 373 . 10 1 1 A 43 43 TRP HA H 43 3.910 4.571 -0.661 1
1 378 . 10 1 1 A 43 43 TRP C C 43 178.823 178.824 -0.001 1
1 379 . 10 1 1 A 43 43 TRP CA C 43 59.953 60.111 -0.158 1
1 380 . 10 1 1 A 43 43 TRP CB C 43 30.759 30.140 0.619 1
1 381 . 10 1 1 A 43 43 TRP N N 43 118.990 120.358 -1.368 1
1 383 . 10 1 1 A 44 44 LEU H H 44 8.412 9.177 -0.765 1
1 384 . 10 1 1 A 44 44 LEU HA H 44 4.112 4.139 -0.027 1
1 394 . 10 1 1 A 44 44 LEU C C 44 177.758 178.944 -1.186 1
1 395 . 10 1 1 A 44 44 LEU CA C 44 58.613 58.217 0.396 1
1 396 . 10 1 1 A 44 44 LEU CB C 44 42.004 41.581 0.423 1
1 400 . 10 1 1 A 44 44 LEU N N 44 118.970 121.794 -2.824 1
1 401 . 10 1 1 A 45 45 MET H H 45 7.403 7.908 -0.505 1
1 402 . 10 1 1 A 45 45 MET HA H 45 4.270 4.178 0.092 1
1 403 . 10 1 1 A 45 45 MET C C 45 177.749 178.551 -0.802 1
1 404 . 10 1 1 A 45 45 MET CA C 45 55.159 58.969 -3.810 1
1 405 . 10 1 1 A 45 45 MET CB C 45 26.925 33.153 -6.228 1
1 406 . 10 1 1 A 45 45 MET N N 45 113.618 117.401 -3.783 1
1 407 . 10 1 1 A 46 46 LYS H H 46 7.623 7.930 -0.307 1
1 408 . 10 1 1 A 46 46 LYS HA H 46 3.906 3.872 0.034 1
1 409 . 10 1 1 A 46 46 LYS C C 46 178.056 179.295 -1.239 1
1 410 . 10 1 1 A 46 46 LYS CA C 46 61.394 59.886 1.508 1
1 411 . 10 1 1 A 46 46 LYS CB C 46 32.442 32.149 0.293 1
1 412 . 10 1 1 A 46 46 LYS N N 46 119.840 120.677 -0.837 1
1 413 . 10 1 1 A 47 47 GLY H H 47 8.495 8.133 0.362 1
1 414 . 10 1 1 A 47 47 GLY HA2 H 47 3.730 2.954 0.776 1
1 415 . 10 1 1 A 47 47 GLY HA3 H 47 3.612 3.550 0.062 1
1 416 . 10 1 1 A 47 47 GLY C C 47 175.340 175.827 -0.487 1
1 417 . 10 1 1 A 47 47 GLY CA C 47 47.689 47.181 0.508 1
1 418 . 10 1 1 A 47 47 GLY N N 47 105.741 107.301 -1.560 1
1 419 . 10 1 1 A 48 48 LYS H H 48 8.760 7.642 1.118 1
1 420 . 10 1 1 A 48 48 LYS HA H 48 3.969 4.207 -0.238 1
1 428 . 10 1 1 A 48 48 LYS C C 48 180.425 179.337 1.088 1
1 429 . 10 1 1 A 48 48 LYS CA C 48 60.506 59.891 0.615 1
1 430 . 10 1 1 A 48 48 LYS CB C 48 30.964 32.289 -1.325 1
1 433 . 10 1 1 A 48 48 LYS N N 48 122.568 122.051 0.517 1
1 434 . 10 1 1 A 49 49 ALA H H 49 8.668 7.857 0.811 1
1 435 . 10 1 1 A 49 49 ALA HA H 49 4.084 4.061 0.023 1
1 439 . 10 1 1 A 49 49 ALA C C 49 178.870 180.079 -1.209 1
1 440 . 10 1 1 A 49 49 ALA CA C 49 55.777 55.108 0.669 1
1 441 . 10 1 1 A 49 49 ALA CB C 49 17.702 18.616 -0.914 1
1 442 . 10 1 1 A 49 49 ALA N N 49 124.484 122.321 2.163 1
1 443 . 10 1 1 A 50 50 LEU H H 50 8.192 8.188 0.004 1
1 444 . 10 1 1 A 50 50 LEU HA H 50 3.771 3.912 -0.141 1
1 454 . 10 1 1 A 50 50 LEU C C 50 179.839 178.843 0.996 1
1 455 . 10 1 1 A 50 50 LEU CA C 50 58.727 57.802 0.925 1
1 456 . 10 1 1 A 50 50 LEU CB C 50 40.549 42.138 -1.589 1
1 460 . 10 1 1 A 50 50 LEU N N 50 118.843 118.006 0.837 1
1 461 . 10 1 1 A 51 51 TYR H H 51 9.282 8.632 0.650 1
1 462 . 10 1 1 A 51 51 TYR HA H 51 3.557 3.834 -0.277 1
1 469 . 10 1 1 A 51 51 TYR C C 51 179.177 177.303 1.874 1
1 470 . 10 1 1 A 51 51 TYR CA C 51 61.878 62.418 -0.540 1
1 471 . 10 1 1 A 51 51 TYR CB C 51 38.249 38.612 -0.363 1
1 472 . 10 1 1 A 51 51 TYR N N 51 122.719 119.628 3.091 1
1 473 . 10 1 1 A 52 52 ASN H H 52 7.882 8.385 -0.503 1
1 474 . 10 1 1 A 52 52 ASN HA H 52 4.084 3.925 0.159 1
1 477 . 10 1 1 A 52 52 ASN C C 52 175.615 176.719 -1.104 1
1 478 . 10 1 1 A 52 52 ASN CA C 52 55.964 55.592 0.372 1
1 479 . 10 1 1 A 52 52 ASN CB C 52 37.219 37.538 -0.319 1
1 480 . 10 1 1 A 52 52 ASN N N 52 120.327 117.838 2.489 1
1 481 . 10 1 1 A 53 53 LEU H H 53 7.178 7.093 0.085 1
1 482 . 10 1 1 A 53 53 LEU HA H 53 4.299 4.094 0.205 1
1 492 . 10 1 1 A 53 53 LEU C C 53 175.095 175.756 -0.661 1
1 493 . 10 1 1 A 53 53 LEU CA C 53 54.112 54.483 -0.371 1
1 494 . 10 1 1 A 53 53 LEU CB C 53 42.548 41.840 0.708 1
1 498 . 10 1 1 A 53 53 LEU N N 53 119.827 117.553 2.274 1
1 499 . 10 1 1 A 54 54 GLU H H 54 7.515 7.450 0.065 1
1 500 . 10 1 1 A 54 54 GLU C C 54 175.118 175.524 -0.406 1
1 501 . 10 1 1 A 54 54 GLU CA C 54 56.811 57.524 -0.713 1
1 502 . 10 1 1 A 54 54 GLU CB C 54 25.944 27.319 -1.375 1
1 503 . 10 1 1 A 54 54 GLU N N 54 112.799 115.075 -2.276 1
1 504 . 10 1 1 A 55 55 ARG H H 55 7.719 7.647 0.072 1
1 505 . 10 1 1 A 55 55 ARG HA H 55 4.407 4.537 -0.130 1
1 512 . 10 1 1 A 55 55 ARG C C 55 176.820 176.087 0.733 1
1 513 . 10 1 1 A 55 55 ARG CA C 55 54.493 54.229 0.264 1
1 514 . 10 1 1 A 55 55 ARG CB C 55 29.041 28.060 0.981 1
1 517 . 10 1 1 A 55 55 ARG N N 55 122.369 119.461 2.908 1
1 518 . 10 1 1 A 56 56 TYR H H 56 6.403 7.202 -0.799 1
1 519 . 10 1 1 A 56 56 TYR HA H 56 3.879 4.323 -0.444 1
1 526 . 10 1 1 A 56 56 TYR C C 56 177.879 178.149 -0.270 1
1 527 . 10 1 1 A 56 56 TYR CA C 56 62.080 60.830 1.250 1
1 528 . 10 1 1 A 56 56 TYR CB C 56 38.443 38.221 0.222 1
1 529 . 10 1 1 A 56 56 TYR N N 56 117.128 120.429 -3.301 1
1 530 . 10 1 1 A 57 57 GLU H H 57 9.032 8.381 0.651 1
1 531 . 10 1 1 A 57 57 GLU HA H 57 3.865 4.117 -0.252 1
1 532 . 10 1 1 A 57 57 GLU C C 57 179.417 179.236 0.181 1
1 533 . 10 1 1 A 57 57 GLU CA C 57 60.722 59.858 0.864 1
1 534 . 10 1 1 A 57 57 GLU CB C 57 29.124 29.496 -0.372 1
1 535 . 10 1 1 A 57 57 GLU N N 57 118.981 120.529 -1.548 1
1 536 . 10 1 1 A 58 58 GLU H H 58 8.286 8.300 -0.014 1
1 537 . 10 1 1 A 58 58 GLU HA H 58 4.050 4.283 -0.233 1
1 538 . 10 1 1 A 58 58 GLU C C 58 179.476 178.282 1.194 1
1 539 . 10 1 1 A 58 58 GLU CA C 58 59.289 59.566 -0.277 1
1 540 . 10 1 1 A 58 58 GLU CB C 58 31.234 29.437 1.797 1
1 541 . 10 1 1 A 58 58 GLU N N 58 119.123 120.462 -1.339 1
1 542 . 10 1 1 A 59 59 ALA H H 59 8.131 8.568 -0.437 1
1 543 . 10 1 1 A 59 59 ALA HA H 59 3.786 4.050 -0.264 1
1 547 . 10 1 1 A 59 59 ALA C C 59 178.281 180.289 -2.008 1
1 548 . 10 1 1 A 59 59 ALA CA C 59 56.324 55.462 0.862 1
1 549 . 10 1 1 A 59 59 ALA CB C 59 17.444 18.162 -0.718 1
1 550 . 10 1 1 A 59 59 ALA N N 59 124.009 122.587 1.422 1
1 551 . 10 1 1 A 60 60 VAL H H 60 8.079 7.949 0.130 1
1 552 . 10 1 1 A 60 60 VAL HA H 60 3.439 3.679 -0.240 1
1 560 . 10 1 1 A 60 60 VAL C C 60 177.323 177.815 -0.492 1
1 561 . 10 1 1 A 60 60 VAL CA C 60 67.410 66.888 0.522 1
1 562 . 10 1 1 A 60 60 VAL CB C 60 31.259 31.643 -0.384 1
1 565 . 10 1 1 A 60 60 VAL N N 60 116.647 118.424 -1.777 1
1 566 . 10 1 1 A 61 61 ASP H H 61 7.737 8.021 -0.284 1
1 567 . 10 1 1 A 61 61 ASP HA H 61 4.446 4.447 -0.001 1
1 570 . 10 1 1 A 61 61 ASP C C 61 179.986 179.222 0.764 1
1 571 . 10 1 1 A 61 61 ASP CA C 61 58.123 57.825 0.298 1
1 572 . 10 1 1 A 61 61 ASP CB C 61 40.160 40.143 0.017 1
1 573 . 10 1 1 A 61 61 ASP N N 61 119.276 120.086 -0.810 1
1 574 . 10 1 1 A 62 62 CYS H H 62 7.387 7.954 -0.567 1
1 575 . 10 1 1 A 62 62 CYS HA H 62 4.337 4.104 0.233 1
1 578 . 10 1 1 A 62 62 CYS C C 62 176.276 176.902 -0.626 1
1 579 . 10 1 1 A 62 62 CYS CA C 62 63.585 63.868 -0.283 1
1 580 . 10 1 1 A 62 62 CYS CB C 62 26.441 27.816 -1.375 1
1 581 . 10 1 1 A 62 62 CYS N N 62 118.794 118.705 0.089 1
1 582 . 10 1 1 A 63 63 TYR H H 63 7.391 7.876 -0.485 1
1 583 . 10 1 1 A 63 63 TYR HA H 63 4.249 4.336 -0.087 1
1 588 . 10 1 1 A 63 63 TYR C C 63 178.113 178.387 -0.274 1
1 589 . 10 1 1 A 63 63 TYR CA C 63 57.994 61.752 -3.758 1
1 590 . 10 1 1 A 63 63 TYR CB C 63 36.288 37.730 -1.442 1
1 591 . 10 1 1 A 63 63 TYR N N 63 119.775 119.066 0.709 1
1 592 . 10 1 1 A 64 64 ASN H H 64 9.121 8.841 0.280 1
1 593 . 10 1 1 A 64 64 ASN HA H 64 4.328 4.421 -0.093 1
1 596 . 10 1 1 A 64 64 ASN C C 64 177.346 177.132 0.214 1
1 597 . 10 1 1 A 64 64 ASN CA C 64 54.809 56.135 -1.326 1
1 598 . 10 1 1 A 64 64 ASN CB C 64 36.904 38.732 -1.828 1
1 599 . 10 1 1 A 64 64 ASN N N 64 117.343 118.585 -1.242 1
1 600 . 10 1 1 A 65 65 TYR H H 65 7.635 7.981 -0.346 1
1 601 . 10 1 1 A 65 65 TYR HA H 65 3.660 3.962 -0.302 1
1 608 . 10 1 1 A 65 65 TYR C C 65 178.599 176.727 1.872 1
1 609 . 10 1 1 A 65 65 TYR CA C 65 62.267 61.444 0.823 1
1 610 . 10 1 1 A 65 65 TYR CB C 65 37.886 38.506 -0.620 1
1 611 . 10 1 1 A 65 65 TYR N N 65 124.181 121.111 3.070 1
1 612 . 10 1 1 A 66 66 VAL H H 66 7.093 8.110 -1.017 1
1 613 . 10 1 1 A 66 66 VAL HA H 66 3.316 3.479 -0.163 1
1 621 . 10 1 1 A 66 66 VAL C C 66 177.070 178.170 -1.100 1
1 622 . 10 1 1 A 66 66 VAL CA C 66 65.944 66.318 -0.374 1
1 623 . 10 1 1 A 66 66 VAL CB C 66 31.613 31.656 -0.043 1
1 626 . 10 1 1 A 66 66 VAL N N 66 119.247 119.277 -0.030 1
1 627 . 10 1 1 A 67 67 ILE H H 67 7.640 7.569 0.071 1
1 628 . 10 1 1 A 67 67 ILE HA H 67 3.056 3.775 -0.719 1
1 638 . 10 1 1 A 67 67 ILE C C 67 176.822 178.299 -1.477 1
1 639 . 10 1 1 A 67 67 ILE CA C 67 64.902 63.570 1.332 1
1 640 . 10 1 1 A 67 67 ILE CB C 67 39.444 37.343 2.101 1
1 644 . 10 1 1 A 67 67 ILE N N 67 117.814 120.037 -2.223 1
1 645 . 10 1 1 A 68 68 ASN H H 68 8.587 8.000 0.587 1
1 646 . 10 1 1 A 68 68 ASN HA H 68 4.564 4.420 0.144 1
1 649 . 10 1 1 A 68 68 ASN C C 68 176.007 177.339 -1.332 1
1 650 . 10 1 1 A 68 68 ASN CA C 68 54.569 55.574 -1.005 1
1 651 . 10 1 1 A 68 68 ASN CB C 68 39.424 38.893 0.531 1
1 652 . 10 1 1 A 68 68 ASN N N 68 112.692 120.500 -7.808 1
1 653 . 10 1 1 A 69 69 VAL H H 69 7.607 7.302 0.305 1
1 654 . 10 1 1 A 69 69 VAL HA H 69 3.813 3.705 0.108 1
1 661 . 10 1 1 A 69 69 VAL C C 69 177.490 176.061 1.429 1
1 662 . 10 1 1 A 69 69 VAL CA C 69 64.763 64.857 -0.094 1
1 663 . 10 1 1 A 69 69 VAL CB C 69 30.804 31.010 -0.206 1
1 666 . 10 1 1 A 69 69 VAL N N 69 119.569 115.805 3.764 1
1 667 . 10 1 1 A 70 70 ILE H H 70 7.489 7.963 -0.474 1
1 668 . 10 1 1 A 70 70 ILE HA H 70 3.635 4.307 -0.672 1
1 678 . 10 1 1 A 70 70 ILE C C 70 176.523 176.089 0.434 1
1 679 . 10 1 1 A 70 70 ILE CA C 70 64.090 60.251 3.839 1
1 680 . 10 1 1 A 70 70 ILE CB C 70 37.026 38.477 -1.451 1
1 684 . 10 1 1 A 70 70 ILE N N 70 119.276 121.512 -2.236 1
1 685 . 10 1 1 A 71 71 GLU H H 71 6.641 8.866 -2.225 1
1 686 . 10 1 1 A 71 71 GLU HA H 71 3.865 4.374 -0.509 1
1 690 . 10 1 1 A 71 71 GLU C C 71 176.415 176.774 -0.359 1
1 691 . 10 1 1 A 71 71 GLU CA C 71 57.229 56.078 1.151 1
1 692 . 10 1 1 A 71 71 GLU CB C 71 26.142 29.101 -2.959 1
1 694 . 10 1 1 A 71 71 GLU N N 71 110.179 127.830 -17.651 1
1 695 . 10 1 1 A 72 72 ASP H H 72 7.744 8.264 -0.520 1
1 696 . 10 1 1 A 72 72 ASP HA H 72 4.813 4.256 0.557 1
1 699 . 10 1 1 A 72 72 ASP C C 72 176.230 175.992 0.238 1
1 700 . 10 1 1 A 72 72 ASP CA C 72 52.203 57.520 -5.317 1
1 701 . 10 1 1 A 72 72 ASP CB C 72 39.256 41.139 -1.883 1
1 702 . 10 1 1 A 72 72 ASP N N 72 121.733 121.672 0.061 1
1 703 . 10 1 1 A 73 73 GLU H H 73 7.510 7.989 -0.479 1
1 704 . 10 1 1 A 73 73 GLU HA H 73 3.946 4.292 -0.346 1
1 709 . 10 1 1 A 73 73 GLU C C 73 176.745 175.578 1.167 1
1 710 . 10 1 1 A 73 73 GLU CA C 73 58.303 57.813 0.490 1
1 711 . 10 1 1 A 73 73 GLU CB C 73 30.664 27.590 3.074 1
1 713 . 10 1 1 A 73 73 GLU N N 73 116.724 117.072 -0.348 1
1 714 . 10 1 1 A 74 74 TYR H H 74 8.794 7.836 0.958 1
1 715 . 10 1 1 A 74 74 TYR HA H 74 4.875 5.024 -0.149 1
1 722 . 10 1 1 A 74 74 TYR C C 74 174.879 175.474 -0.595 1
1 723 . 10 1 1 A 74 74 TYR CA C 74 56.732 58.978 -2.246 1
1 724 . 10 1 1 A 74 74 TYR CB C 74 37.069 41.836 -4.767 1
1 725 . 10 1 1 A 74 74 TYR N N 74 120.080 118.705 1.375 1
1 726 . 10 1 1 A 75 75 ASN H H 75 7.237 8.268 -1.031 1
1 727 . 10 1 1 A 75 75 ASN HA H 75 4.601 4.676 -0.075 1
1 730 . 10 1 1 A 75 75 ASN C C 75 175.146 175.681 -0.535 1
1 731 . 10 1 1 A 75 75 ASN CA C 75 53.124 53.651 -0.527 1
1 732 . 10 1 1 A 75 75 ASN CB C 75 37.755 39.305 -1.550 1
1 733 . 10 1 1 A 75 75 ASN N N 75 118.665 118.191 0.474 1
1 734 . 10 1 1 A 76 76 LYS H H 76 8.672 8.692 -0.020 1
1 735 . 10 1 1 A 76 76 LYS HA H 76 4.077 4.082 -0.005 1
1 742 . 10 1 1 A 76 76 LYS C C 76 177.773 178.197 -0.424 1
1 743 . 10 1 1 A 76 76 LYS CA C 76 60.060 59.830 0.230 1
1 744 . 10 1 1 A 76 76 LYS CB C 76 37.827 32.296 5.531 1
1 748 . 10 1 1 A 76 76 LYS N N 76 127.868 127.159 0.709 1
1 749 . 10 1 1 A 77 77 ASP H H 77 7.946 8.144 -0.198 1
1 750 . 10 1 1 A 77 77 ASP HA H 77 4.414 4.480 -0.066 1
1 753 . 10 1 1 A 77 77 ASP C C 77 179.265 178.826 0.439 1
1 754 . 10 1 1 A 77 77 ASP CA C 77 57.127 57.542 -0.415 1
1 755 . 10 1 1 A 77 77 ASP CB C 77 40.634 40.860 -0.226 1
1 756 . 10 1 1 A 77 77 ASP N N 77 117.883 119.610 -1.727 1
1 757 . 10 1 1 A 78 78 VAL H H 78 7.653 8.120 -0.467 1
1 758 . 10 1 1 A 78 78 VAL HA H 78 3.282 3.622 -0.340 1
1 766 . 10 1 1 A 78 78 VAL C C 78 176.624 178.215 -1.591 1
1 767 . 10 1 1 A 78 78 VAL CA C 78 65.531 66.357 -0.826 1
1 768 . 10 1 1 A 78 78 VAL CB C 78 31.290 31.523 -0.233 1
1 771 . 10 1 1 A 78 78 VAL N N 78 121.259 119.781 1.478 1
1 772 . 10 1 1 A 79 79 TRP H H 79 7.626 7.832 -0.206 1
1 773 . 10 1 1 A 79 79 TRP HA H 79 4.107 4.370 -0.263 1
1 778 . 10 1 1 A 79 79 TRP C C 79 177.932 178.877 -0.945 1
1 779 . 10 1 1 A 79 79 TRP CA C 79 61.491 60.072 1.419 1
1 780 . 10 1 1 A 79 79 TRP CB C 79 28.665 28.726 -0.061 1
1 781 . 10 1 1 A 79 79 TRP N N 79 120.388 119.662 0.726 1
1 783 . 10 1 1 A 80 80 ALA H H 80 8.296 8.833 -0.537 1
1 784 . 10 1 1 A 80 80 ALA HA H 80 3.898 3.899 -0.001 1
1 788 . 10 1 1 A 80 80 ALA C C 80 176.556 179.645 -3.089 1
1 789 . 10 1 1 A 80 80 ALA CA C 80 55.158 55.241 -0.083 1
1 790 . 10 1 1 A 80 80 ALA CB C 80 18.155 18.137 0.018 1
1 791 . 10 1 1 A 80 80 ALA N N 80 120.453 121.610 -1.157 1
1 792 . 10 1 1 A 81 81 ALA H H 81 7.405 8.360 -0.955 1
1 793 . 10 1 1 A 81 81 ALA HA H 81 3.837 3.877 -0.040 1
1 797 . 10 1 1 A 81 81 ALA C C 81 180.646 178.837 1.809 1
1 798 . 10 1 1 A 81 81 ALA CA C 81 55.028 55.079 -0.051 1
1 799 . 10 1 1 A 81 81 ALA CB C 81 15.649 18.213 -2.564 1
1 800 . 10 1 1 A 81 81 ALA N N 81 120.915 119.558 1.357 1
1 801 . 10 1 1 A 82 82 LYS H H 82 8.244 7.600 0.644 1
1 802 . 10 1 1 A 82 82 LYS HA H 82 3.853 3.343 0.510 1
1 811 . 10 1 1 A 82 82 LYS C C 82 177.176 178.336 -1.160 1
1 812 . 10 1 1 A 82 82 LYS CA C 82 60.577 58.519 2.058 1
1 813 . 10 1 1 A 82 82 LYS CB C 82 32.243 32.021 0.222 1
1 816 . 10 1 1 A 82 82 LYS N N 82 121.979 118.399 3.580 1
1 817 . 10 1 1 A 83 83 ALA H H 83 8.422 7.976 0.446 1
1 818 . 10 1 1 A 83 83 ALA HA H 83 3.894 4.051 -0.157 1
1 822 . 10 1 1 A 83 83 ALA C C 83 178.746 178.369 0.377 1
1 823 . 10 1 1 A 83 83 ALA CA C 83 56.268 55.250 1.018 1
1 824 . 10 1 1 A 83 83 ALA CB C 83 17.700 18.239 -0.539 1
1 825 . 10 1 1 A 83 83 ALA N N 83 121.419 121.747 -0.328 1
1 826 . 10 1 1 A 84 84 ASP H H 84 7.481 7.961 -0.480 1
1 827 . 10 1 1 A 84 84 ASP HA H 84 4.377 4.275 0.102 1
1 828 . 10 1 1 A 84 84 ASP C C 84 178.394 177.929 0.465 1
1 829 . 10 1 1 A 84 84 ASP CA C 84 56.946 57.331 -0.385 1
1 830 . 10 1 1 A 84 84 ASP CB C 84 40.351 41.756 -1.405 1
1 831 . 10 1 1 A 84 84 ASP N N 84 114.693 118.026 -3.333 1
1 832 . 10 1 1 A 85 85 ALA H H 85 7.680 7.088 0.592 1
1 833 . 10 1 1 A 85 85 ALA HA H 85 4.521 4.292 0.229 1
1 837 . 10 1 1 A 85 85 ALA C C 85 179.100 180.548 -1.448 1
1 838 . 10 1 1 A 85 85 ALA CA C 85 55.819 54.951 0.868 1
1 839 . 10 1 1 A 85 85 ALA CB C 85 19.257 18.465 0.792 1
1 840 . 10 1 1 A 85 85 ALA N N 85 119.105 121.501 -2.396 1
1 841 . 10 1 1 A 86 86 LEU H H 86 8.516 8.246 0.270 1
1 842 . 10 1 1 A 86 86 LEU HA H 86 3.919 4.080 -0.161 1
1 852 . 10 1 1 A 86 86 LEU C C 86 178.767 178.841 -0.074 1
1 853 . 10 1 1 A 86 86 LEU CA C 86 48.892 57.405 -8.513 1
1 854 . 10 1 1 A 86 86 LEU CB C 86 43.011 41.564 1.447 1
1 858 . 10 1 1 A 86 86 LEU N N 86 115.208 120.018 -4.810 1
1 859 . 10 1 1 A 87 87 ARG H H 87 7.329 7.977 -0.648 1
1 860 . 10 1 1 A 87 87 ARG HA H 87 3.851 4.095 -0.244 1
1 867 . 10 1 1 A 87 87 ARG C C 87 176.800 176.454 0.346 1
1 868 . 10 1 1 A 87 87 ARG CA C 87 58.315 58.559 -0.244 1
1 869 . 10 1 1 A 87 87 ARG CB C 87 27.514 30.219 -2.705 1
1 872 . 10 1 1 A 87 87 ARG N N 87 115.227 119.855 -4.628 1
1 873 . 10 1 1 A 88 88 TYR H H 88 7.201 7.931 -0.730 1
1 874 . 10 1 1 A 88 88 TYR HA H 88 4.193 4.718 -0.525 1
1 881 . 10 1 1 A 88 88 TYR C C 88 174.958 173.461 1.497 1
1 882 . 10 1 1 A 88 88 TYR CA C 88 58.463 56.656 1.807 1
1 883 . 10 1 1 A 88 88 TYR CB C 88 38.457 38.812 -0.355 1
1 884 . 10 1 1 A 88 88 TYR N N 88 115.558 118.669 -3.111 1
1 885 . 10 1 1 A 89 89 ILE H H 89 7.374 8.107 -0.733 1
1 886 . 10 1 1 A 89 89 ILE HA H 89 4.175 4.470 -0.295 1
1 895 . 10 1 1 A 89 89 ILE C C 89 174.900 175.620 -0.720 1
1 896 . 10 1 1 A 89 89 ILE CA C 89 60.978 59.587 1.391 1
1 897 . 10 1 1 A 89 89 ILE CB C 89 38.945 40.698 -1.753 1
1 901 . 10 1 1 A 89 89 ILE N N 89 122.120 125.536 -3.416 1
1 902 . 10 1 1 A 90 90 GLU H H 90 8.655 9.074 -0.419 1
1 903 . 10 1 1 A 90 90 GLU HA H 90 4.159 4.102 0.057 1
1 905 . 10 1 1 A 90 90 GLU CA C 90 57.914 58.623 -0.709 1
1 906 . 10 1 1 A 90 90 GLU CB C 90 29.894 29.631 0.263 1
1 907 . 10 1 1 A 90 90 GLU N N 90 128.417 129.736 -1.319 1
1 908 . 10 1 1 A 91 91 GLY H H 91 9.089 7.600 1.489 1
1 909 . 10 1 1 A 91 91 GLY HA2 H 91 4.293 3.904 0.389 1
1 910 . 10 1 1 A 91 91 GLY HA3 H 91 4.039 3.974 0.065 1
1 911 . 10 1 1 A 91 91 GLY CA C 91 45.756 45.758 -0.002 1
1 912 . 10 1 1 A 91 91 GLY N N 91 112.760 106.142 6.618 1
1 913 . 10 1 1 A 93 93 GLU C C 93 176.315 176.038 0.277 1
1 914 . 10 1 1 A 94 94 VAL H H 94 8.288 8.693 -0.405 1
1 915 . 10 1 1 A 94 94 VAL HA H 94 3.800 4.084 -0.284 1
1 920 . 10 1 1 A 94 94 VAL C C 94 178.292 177.703 0.589 1
1 921 . 10 1 1 A 94 94 VAL CA C 94 56.374 63.672 -7.298 1
1 922 . 10 1 1 A 94 94 VAL CB C 94 31.630 31.805 -0.175 1
1 923 . 10 1 1 A 94 94 VAL N N 94 119.837 125.510 -5.673 1
1 924 . 10 1 1 A 95 95 GLU H H 95 8.207 8.194 0.013 1
1 925 . 10 1 1 A 95 95 GLU HA H 95 3.931 3.992 -0.061 1
1 927 . 10 1 1 A 95 95 GLU C C 95 179.514 179.306 0.208 1
1 928 . 10 1 1 A 95 95 GLU CA C 95 60.215 59.584 0.631 1
1 929 . 10 1 1 A 95 95 GLU CB C 95 29.419 29.425 -0.006 1
1 930 . 10 1 1 A 95 95 GLU N N 95 120.805 122.153 -1.348 1
1 931 . 10 1 1 A 96 96 ALA H H 96 8.839 8.247 0.592 1
1 932 . 10 1 1 A 96 96 ALA HA H 96 4.029 4.036 -0.007 1
1 936 . 10 1 1 A 96 96 ALA C C 96 179.047 179.862 -0.815 1
1 937 . 10 1 1 A 96 96 ALA CA C 96 54.866 54.967 -0.101 1
1 938 . 10 1 1 A 96 96 ALA CB C 96 17.667 18.351 -0.684 1
1 939 . 10 1 1 A 96 96 ALA N N 96 123.226 122.020 1.206 1
1 940 . 10 1 1 A 97 97 GLU H H 97 7.763 7.745 0.018 1
1 941 . 10 1 1 A 97 97 GLU HA H 97 4.055 4.086 -0.031 1
1 943 . 10 1 1 A 97 97 GLU C C 97 178.015 179.054 -1.039 1
1 944 . 10 1 1 A 97 97 GLU CA C 97 59.138 58.976 0.162 1
1 945 . 10 1 1 A 97 97 GLU CB C 97 29.588 29.509 0.079 1
1 946 . 10 1 1 A 97 97 GLU N N 97 118.606 118.172 0.434 1
1 947 . 10 1 1 A 98 98 ILE H H 98 8.118 7.736 0.382 1
1 948 . 10 1 1 A 98 98 ILE HA H 98 3.657 3.697 -0.040 1
1 958 . 10 1 1 A 98 98 ILE C C 98 178.015 177.811 0.204 1
1 959 . 10 1 1 A 98 98 ILE CA C 98 64.831 65.601 -0.770 1
1 960 . 10 1 1 A 98 98 ILE CB C 98 38.402 38.116 0.286 1
1 964 . 10 1 1 A 98 98 ILE N N 98 122.339 119.998 2.341 1
1 965 . 10 1 1 A 99 99 ALA H H 99 8.117 8.122 -0.005 1
1 966 . 10 1 1 A 99 99 ALA HA H 99 4.210 3.947 0.263 1
1 970 . 10 1 1 A 99 99 ALA C C 99 178.762 179.157 -0.395 1
1 971 . 10 1 1 A 99 99 ALA CA C 99 55.360 55.483 -0.123 1
1 972 . 10 1 1 A 99 99 ALA CB C 99 17.499 18.146 -0.647 1
1 973 . 10 1 1 A 99 99 ALA N N 99 122.357 122.498 -0.141 1
1 974 . 10 1 1 A 100 100 GLU H H 100 8.345 8.463 -0.118 1
1 975 . 10 1 1 A 100 100 GLU HA H 100 3.787 4.000 -0.213 1
1 978 . 10 1 1 A 100 100 GLU C C 100 178.463 178.507 -0.044 1
1 979 . 10 1 1 A 100 100 GLU CA C 100 59.063 59.253 -0.190 1
1 980 . 10 1 1 A 100 100 GLU CB C 100 29.670 29.370 0.300 1
1 981 . 10 1 1 A 100 100 GLU N N 100 118.391 117.796 0.595 1
1 982 . 10 1 1 A 101 101 ALA H H 101 7.693 8.491 -0.798 1
1 983 . 10 1 1 A 101 101 ALA HA H 101 4.111 4.036 0.075 1
1 987 . 10 1 1 A 101 101 ALA C C 101 180.967 179.529 1.438 1
1 988 . 10 1 1 A 101 101 ALA CA C 101 54.383 55.118 -0.735 1
1 989 . 10 1 1 A 101 101 ALA CB C 101 18.097 18.198 -0.101 1
1 990 . 10 1 1 A 101 101 ALA N N 101 120.699 121.253 -0.554 1
1 991 . 10 1 1 A 102 102 ARG H H 102 7.959 8.657 -0.698 1
1 992 . 10 1 1 A 102 102 ARG HA H 102 3.705 3.916 -0.211 1
1 993 . 10 1 1 A 102 102 ARG C C 102 178.310 178.018 0.292 1
1 994 . 10 1 1 A 102 102 ARG CA C 102 57.696 59.181 -1.485 1
1 995 . 10 1 1 A 102 102 ARG CB C 102 28.404 29.829 -1.425 1
1 996 . 10 1 1 A 102 102 ARG N N 102 118.386 118.822 -0.436 1
1 997 . 10 1 1 A 103 103 ALA H H 103 7.896 8.591 -0.695 1
1 998 . 10 1 1 A 103 103 ALA HA H 103 4.108 4.068 0.040 1
1 1002 . 10 1 1 A 103 103 ALA C C 103 178.184 179.884 -1.700 1
1 1003 . 10 1 1 A 103 103 ALA CA C 103 54.210 55.290 -1.080 1
1 1004 . 10 1 1 A 103 103 ALA CB C 103 18.430 18.362 0.068 1
1 1005 . 10 1 1 A 103 103 ALA N N 103 120.630 122.180 -1.550 1
1 1006 . 10 1 1 A 104 104 LYS H H 104 7.337 7.191 0.146 1
1 1007 . 10 1 1 A 104 104 LYS HA H 104 4.150 4.023 0.127 1
1 1013 . 10 1 1 A 104 104 LYS C C 104 177.211 176.674 0.537 1
1 1014 . 10 1 1 A 104 104 LYS CA C 104 56.429 59.146 -2.717 1
1 1015 . 10 1 1 A 104 104 LYS CB C 104 32.810 32.476 0.334 1
1 1018 . 10 1 1 A 104 104 LYS N N 104 115.288 116.242 -0.954 1
1 1019 . 10 1 1 A 105 105 LEU H H 105 7.511 7.975 -0.464 1
1 1020 . 10 1 1 A 105 105 LEU HA H 105 4.162 3.865 0.297 1
1 1030 . 10 1 1 A 105 105 LEU C C 105 177.260 175.929 1.331 1
1 1031 . 10 1 1 A 105 105 LEU CA C 105 56.227 55.608 0.619 1
1 1032 . 10 1 1 A 105 105 LEU CB C 105 42.365 40.510 1.855 1
1 1036 . 10 1 1 A 105 105 LEU N N 105 120.938 120.259 0.679 1
1 1037 . 10 1 1 A 106 106 GLU H H 106 8.283 7.927 0.356 1
1 1038 . 10 1 1 A 106 106 GLU HA H 106 4.167 4.115 0.052 1
1 1041 . 10 1 1 A 106 106 GLU C C 106 173.877 176.228 -2.351 1
1 1042 . 10 1 1 A 106 106 GLU CA C 106 55.862 56.576 -0.714 1
1 1043 . 10 1 1 A 106 106 GLU CB C 106 30.289 29.782 0.507 1
1 1044 . 10 1 1 A 106 106 GLU N N 106 121.004 123.326 -2.322 1
1 1045 . 10 1 1 A 107 107 HIS H H 107 8.128 8.674 -0.546 1
1 1046 . 10 1 1 A 107 107 HIS CA C 107 57.258 55.785 1.473 1
1 1047 . 10 1 1 A 107 107 HIS CB C 107 30.252 30.820 -0.568 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 97 1.116 1
2 1 1 1 "RMS(OBS, PRED)" CA 100 1.804 1
3 1 1 1 "RMS(OBS, PRED)" CB 96 1.523 1
4 1 1 1 "RMS(OBS, PRED)" H 98 0.699 1
5 1 1 1 "RMS(OBS, PRED)" HA 100 0.341 1
6 1 1 1 "RMS(OBS, PRED)" N 97 3.061 1
7 1 2 1 "RMS(OBS, PRED)" C 97 1.077 1
8 1 2 1 "RMS(OBS, PRED)" CA 100 1.806 1
9 1 2 1 "RMS(OBS, PRED)" CB 96 1.448 1
10 1 2 1 "RMS(OBS, PRED)" H 98 0.736 1
11 1 2 1 "RMS(OBS, PRED)" HA 100 0.302 1
12 1 2 1 "RMS(OBS, PRED)" N 97 2.914 1
13 1 3 1 "RMS(OBS, PRED)" C 97 1.217 1
14 1 3 1 "RMS(OBS, PRED)" CA 100 1.675 1
15 1 3 1 "RMS(OBS, PRED)" CB 96 1.504 1
16 1 3 1 "RMS(OBS, PRED)" H 98 0.699 1
17 1 3 1 "RMS(OBS, PRED)" HA 100 0.298 1
18 1 3 1 "RMS(OBS, PRED)" N 97 3.138 1
19 1 4 1 "RMS(OBS, PRED)" C 97 1.177 1
20 1 4 1 "RMS(OBS, PRED)" CA 100 1.860 1
21 1 4 1 "RMS(OBS, PRED)" CB 96 1.525 1
22 1 4 1 "RMS(OBS, PRED)" H 98 0.649 1
23 1 4 1 "RMS(OBS, PRED)" HA 100 0.338 1
24 1 4 1 "RMS(OBS, PRED)" N 97 3.171 1
25 1 5 1 "RMS(OBS, PRED)" C 97 1.164 1
26 1 5 1 "RMS(OBS, PRED)" CA 100 1.633 1
27 1 5 1 "RMS(OBS, PRED)" CB 96 1.321 1
28 1 5 1 "RMS(OBS, PRED)" H 98 0.689 1
29 1 5 1 "RMS(OBS, PRED)" HA 100 0.311 1
30 1 5 1 "RMS(OBS, PRED)" N 97 2.979 1
31 1 6 1 "RMS(OBS, PRED)" C 97 1.161 1
32 1 6 1 "RMS(OBS, PRED)" CA 100 1.680 1
33 1 6 1 "RMS(OBS, PRED)" CB 96 1.394 1
34 1 6 1 "RMS(OBS, PRED)" H 98 0.695 1
35 1 6 1 "RMS(OBS, PRED)" HA 100 0.320 1
36 1 6 1 "RMS(OBS, PRED)" N 97 2.980 1
37 1 7 1 "RMS(OBS, PRED)" C 97 1.115 1
38 1 7 1 "RMS(OBS, PRED)" CA 100 1.695 1
39 1 7 1 "RMS(OBS, PRED)" CB 96 1.560 1
40 1 7 1 "RMS(OBS, PRED)" H 98 0.708 1
41 1 7 1 "RMS(OBS, PRED)" HA 100 0.344 1
42 1 7 1 "RMS(OBS, PRED)" N 97 3.238 1
43 1 8 1 "RMS(OBS, PRED)" C 97 1.146 1
44 1 8 1 "RMS(OBS, PRED)" CA 100 1.749 1
45 1 8 1 "RMS(OBS, PRED)" CB 96 1.514 1
46 1 8 1 "RMS(OBS, PRED)" H 98 0.648 1
47 1 8 1 "RMS(OBS, PRED)" HA 100 0.330 1
48 1 8 1 "RMS(OBS, PRED)" N 97 3.137 1
49 1 9 1 "RMS(OBS, PRED)" C 97 1.153 1
50 1 9 1 "RMS(OBS, PRED)" CA 100 1.727 1
51 1 9 1 "RMS(OBS, PRED)" CB 96 1.559 1
52 1 9 1 "RMS(OBS, PRED)" H 98 0.718 1
53 1 9 1 "RMS(OBS, PRED)" HA 100 0.349 1
54 1 9 1 "RMS(OBS, PRED)" N 97 3.066 1
55 1 10 1 "RMS(OBS, PRED)" C 97 1.093 1
56 1 10 1 "RMS(OBS, PRED)" CA 100 1.720 1
57 1 10 1 "RMS(OBS, PRED)" CB 96 1.502 1
58 1 10 1 "RMS(OBS, PRED)" H 98 0.722 1
59 1 10 1 "RMS(OBS, PRED)" HA 100 0.308 1
60 1 10 1 "RMS(OBS, PRED)" N 97 3.026 1
stop_
save_
save_delta_chem_shifts_average
_Entity_delta_chem_shifts.Sf_category delta_chem_shifts
_Entity_delta_chem_shifts.Sf_framecode delta_chem_shifts_average
_Entity_delta_chem_shifts.Conformer_type "average"
_Entity_delta_chem_shifts.ID 2
_Entity_delta_chem_shifts.Details
;
This saveframe contains the averaged SPARTA chemical shift over all the models used.
;
loop_
_Delta_CS.Assigned_chem_shift_list_ID
_Delta_CS.Atom_chem_shift_ID
_Delta_CS.Assembly_atom_ID
_Delta_CS.Entity_assembly_ID
_Delta_CS.Entity_ID
_Delta_CS.PDB_asym_ID
_Delta_CS.Comp_index_ID
_Delta_CS.Seq_ID
_Delta_CS.Comp_ID
_Delta_CS.Atom_ID
_Delta_CS.Atom_type
_Delta_CS.Auth_seq_ID
_Delta_CS.Original_CS_value
_Delta_CS.Sparta_CS_value
_Delta_CS.Delta_CS_value
_Delta_CS.Entity_delta_chem_shifts_ID
1 1 . 1 1 A 6 6 PRO HA H 6 4.310 4.434 -0.124 2
1 8 . 1 1 A 6 6 PRO C C 6 177.583 177.250 0.333 2
1 9 . 1 1 A 6 6 PRO CA C 6 65.455 63.865 1.590 2
1 10 . 1 1 A 6 6 PRO CB C 6 31.231 31.110 0.121 2
1 13 . 1 1 A 7 7 GLU H H 7 8.058 8.628 -0.570 2
1 14 . 1 1 A 7 7 GLU HA H 7 4.314 4.261 0.053 2
1 15 . 1 1 A 7 7 GLU C C 7 178.814 178.479 0.335 2
1 16 . 1 1 A 7 7 GLU CA C 7 58.577 59.204 -0.627 2
1 17 . 1 1 A 7 7 GLU CB C 7 29.806 28.910 0.896 2
1 18 . 1 1 A 7 7 GLU N N 7 116.393 120.576 -4.183 2
1 19 . 1 1 A 8 8 GLU H H 8 7.458 8.408 -0.950 2
1 20 . 1 1 A 8 8 GLU HA H 8 4.029 4.130 -0.101 2
1 21 . 1 1 A 8 8 GLU C C 8 179.794 178.836 0.958 2
1 22 . 1 1 A 8 8 GLU CA C 8 59.369 59.013 0.356 2
1 23 . 1 1 A 8 8 GLU CB C 8 29.455 29.358 0.097 2
1 24 . 1 1 A 8 8 GLU N N 8 117.887 119.423 -1.536 2
1 25 . 1 1 A 9 9 TYR H H 9 6.889 8.381 -1.492 2
1 26 . 1 1 A 9 9 TYR HA H 9 4.301 4.350 -0.049 2
1 33 . 1 1 A 9 9 TYR C C 9 177.756 177.828 -0.072 2
1 34 . 1 1 A 9 9 TYR CA C 9 60.754 60.533 0.221 2
1 35 . 1 1 A 9 9 TYR CB C 9 37.319 37.627 -0.308 2
1 36 . 1 1 A 9 9 TYR N N 9 117.876 119.676 -1.800 2
1 37 . 1 1 A 10 10 TYR H H 10 8.138 8.318 -0.180 2
1 38 . 1 1 A 10 10 TYR HA H 10 4.018 4.415 -0.397 2
1 45 . 1 1 A 10 10 TYR C C 10 176.231 177.308 -1.077 2
1 46 . 1 1 A 10 10 TYR CA C 10 62.031 59.650 2.381 2
1 47 . 1 1 A 10 10 TYR CB C 10 38.951 37.246 1.705 2
1 48 . 1 1 A 10 10 TYR N N 10 118.874 120.312 -1.438 2
1 49 . 1 1 A 11 11 LEU H H 11 8.597 7.703 0.894 2
1 50 . 1 1 A 11 11 LEU HA H 11 3.797 3.483 0.314 2
1 60 . 1 1 A 11 11 LEU C C 11 180.257 178.202 2.055 2
1 61 . 1 1 A 11 11 LEU CA C 11 58.295 57.078 1.217 2
1 62 . 1 1 A 11 11 LEU CB C 11 41.541 41.429 0.112 2
1 66 . 1 1 A 11 11 LEU N N 11 119.267 119.380 -0.113 2
1 67 . 1 1 A 12 12 GLU H H 12 7.640 8.078 -0.438 2
1 68 . 1 1 A 12 12 GLU HA H 12 4.033 3.913 0.119 2
1 69 . 1 1 A 12 12 GLU C C 12 179.050 179.219 -0.168 2
1 70 . 1 1 A 12 12 GLU CA C 12 59.137 59.263 -0.126 2
1 71 . 1 1 A 12 12 GLU CB C 12 29.351 29.137 0.214 2
1 72 . 1 1 A 12 12 GLU N N 12 119.459 119.758 -0.299 2
1 73 . 1 1 A 13 13 GLY H H 13 8.624 8.367 0.257 2
1 74 . 1 1 A 13 13 GLY HA2 H 13 3.083 3.742 -0.659 2
1 75 . 1 1 A 13 13 GLY HA3 H 13 2.863 3.788 -0.925 2
1 76 . 1 1 A 13 13 GLY C C 13 175.651 176.403 -0.752 2
1 77 . 1 1 A 13 13 GLY CA C 13 48.592 47.219 1.373 2
1 78 . 1 1 A 13 13 GLY N N 13 110.175 108.799 1.376 2
1 79 . 1 1 A 14 14 VAL H H 14 8.757 7.563 1.194 2
1 80 . 1 1 A 14 14 VAL HA H 14 3.532 3.689 -0.157 2
1 88 . 1 1 A 14 14 VAL C C 14 177.103 177.489 -0.386 2
1 89 . 1 1 A 14 14 VAL CA C 14 67.661 65.752 1.909 2
1 90 . 1 1 A 14 14 VAL CB C 14 31.430 31.665 -0.235 2
1 93 . 1 1 A 14 14 VAL N N 14 124.361 121.618 2.743 2
1 94 . 1 1 A 15 15 LEU H H 15 7.555 7.904 -0.350 2
1 95 . 1 1 A 15 15 LEU HA H 15 4.089 3.858 0.231 2
1 105 . 1 1 A 15 15 LEU C C 15 181.353 178.864 2.489 2
1 106 . 1 1 A 15 15 LEU CA C 15 58.775 57.966 0.809 2
1 107 . 1 1 A 15 15 LEU CB C 15 39.871 41.703 -1.832 2
1 111 . 1 1 A 15 15 LEU N N 15 119.975 119.731 0.244 2
1 112 . 1 1 A 16 16 GLN H H 16 7.878 7.831 0.047 2
1 113 . 1 1 A 16 16 GLN C C 16 177.675 177.632 0.043 2
1 114 . 1 1 A 16 16 GLN CA C 16 58.023 58.910 -0.887 2
1 115 . 1 1 A 16 16 GLN CB C 16 27.162 28.460 -1.298 2
1 116 . 1 1 A 16 16 GLN N N 16 117.171 117.419 -0.248 2
1 117 . 1 1 A 17 17 TYR H H 17 9.044 7.923 1.121 2
1 118 . 1 1 A 17 17 TYR HA H 17 3.637 4.198 -0.561 2
1 125 . 1 1 A 17 17 TYR C C 17 179.591 177.145 2.446 2
1 126 . 1 1 A 17 17 TYR CA C 17 62.233 61.547 0.686 2
1 127 . 1 1 A 17 17 TYR CB C 17 38.759 38.568 0.191 2
1 128 . 1 1 A 17 17 TYR N N 17 124.139 120.429 3.710 2
1 129 . 1 1 A 18 18 ASP H H 18 9.408 8.912 0.496 2
1 130 . 1 1 A 18 18 ASP HA H 18 4.392 4.406 -0.014 2
1 133 . 1 1 A 18 18 ASP C C 18 177.432 177.272 0.160 2
1 134 . 1 1 A 18 18 ASP CA C 18 57.155 56.755 0.400 2
1 135 . 1 1 A 18 18 ASP CB C 18 39.901 41.092 -1.191 2
1 136 . 1 1 A 18 18 ASP N N 18 122.934 119.256 3.678 2
1 137 . 1 1 A 19 19 ALA H H 19 7.264 7.891 -0.627 2
1 138 . 1 1 A 19 19 ALA HA H 19 4.294 4.378 -0.083 2
1 142 . 1 1 A 19 19 ALA C C 19 177.336 177.415 -0.079 2
1 143 . 1 1 A 19 19 ALA CA C 19 52.171 51.354 0.817 2
1 144 . 1 1 A 19 19 ALA CB C 19 18.870 18.936 -0.067 2
1 145 . 1 1 A 19 19 ALA N N 19 119.827 120.585 -0.758 2
1 146 . 1 1 A 20 20 GLY H H 20 7.667 8.574 -0.907 2
1 147 . 1 1 A 20 20 GLY HA2 H 20 3.844 3.643 0.201 2
1 148 . 1 1 A 20 20 GLY HA3 H 20 2.653 3.868 -1.214 2
1 149 . 1 1 A 20 20 GLY C C 20 173.498 174.280 -0.782 2
1 150 . 1 1 A 20 20 GLY CA C 20 44.003 46.596 -2.593 2
1 151 . 1 1 A 20 20 GLY N N 20 106.574 109.972 -3.398 2
1 152 . 1 1 A 21 21 ASN H H 21 7.998 8.071 -0.073 2
1 153 . 1 1 A 21 21 ASN HA H 21 4.884 4.748 0.136 2
1 156 . 1 1 A 21 21 ASN C C 21 175.654 174.996 0.658 2
1 157 . 1 1 A 21 21 ASN CA C 21 50.397 52.843 -2.446 2
1 158 . 1 1 A 21 21 ASN CB C 21 35.866 37.651 -1.785 2
1 159 . 1 1 A 21 21 ASN N N 21 121.852 117.775 4.077 2
1 160 . 1 1 A 22 22 TYR H H 22 7.024 7.780 -0.756 2
1 161 . 1 1 A 22 22 TYR HA H 22 4.203 4.203 -0.000 2
1 166 . 1 1 A 22 22 TYR C C 22 179.639 178.160 1.479 2
1 167 . 1 1 A 22 22 TYR CA C 22 61.732 60.604 1.128 2
1 168 . 1 1 A 22 22 TYR CB C 22 37.840 38.106 -0.266 2
1 169 . 1 1 A 22 22 TYR N N 22 119.554 119.981 -0.427 2
1 170 . 1 1 A 23 23 THR H H 23 9.025 8.234 0.791 2
1 171 . 1 1 A 23 23 THR HA H 23 3.742 4.024 -0.282 2
1 176 . 1 1 A 23 23 THR C C 23 176.384 176.356 0.028 2
1 177 . 1 1 A 23 23 THR CA C 23 67.528 67.061 0.468 2
1 178 . 1 1 A 23 23 THR CB C 23 67.962 68.523 -0.561 2
1 180 . 1 1 A 23 23 THR N N 23 117.377 115.600 1.777 2
1 181 . 1 1 A 24 24 GLU H H 24 8.762 8.345 0.417 2
1 182 . 1 1 A 24 24 GLU HA H 24 3.959 3.938 0.022 2
1 183 . 1 1 A 24 24 GLU C C 24 179.843 179.096 0.747 2
1 184 . 1 1 A 24 24 GLU CA C 24 60.243 59.724 0.519 2
1 185 . 1 1 A 24 24 GLU CB C 24 28.510 29.389 -0.879 2
1 186 . 1 1 A 24 24 GLU N N 24 123.212 121.195 2.017 2
1 187 . 1 1 A 25 25 SER H H 25 8.152 8.259 -0.107 2
1 188 . 1 1 A 25 25 SER HA H 25 4.057 4.235 -0.178 2
1 190 . 1 1 A 25 25 SER C C 25 174.017 176.780 -2.763 2
1 191 . 1 1 A 25 25 SER CA C 25 62.319 61.817 0.502 2
1 192 . 1 1 A 25 25 SER CB C 25 62.345 62.781 -0.436 2
1 193 . 1 1 A 25 25 SER N N 25 115.914 115.334 0.580 2
1 194 . 1 1 A 26 26 ILE H H 26 7.593 7.919 -0.326 2
1 195 . 1 1 A 26 26 ILE HA H 26 3.560 3.849 -0.289 2
1 204 . 1 1 A 26 26 ILE C C 26 176.788 177.714 -0.926 2
1 205 . 1 1 A 26 26 ILE CA C 26 66.713 64.625 2.088 2
1 206 . 1 1 A 26 26 ILE CB C 26 36.519 37.439 -0.920 2
1 210 . 1 1 A 26 26 ILE N N 26 122.676 122.974 -0.298 2
1 211 . 1 1 A 27 27 ASP H H 27 6.944 8.307 -1.363 2
1 212 . 1 1 A 27 27 ASP HA H 27 4.239 4.486 -0.247 2
1 214 . 1 1 A 27 27 ASP C C 27 178.538 178.979 -0.441 2
1 215 . 1 1 A 27 27 ASP CA C 27 57.449 57.406 0.043 2
1 216 . 1 1 A 27 27 ASP CB C 27 40.758 40.874 -0.116 2
1 217 . 1 1 A 27 27 ASP N N 27 118.062 121.426 -3.364 2
1 218 . 1 1 A 28 28 LEU H H 28 6.971 8.169 -1.198 2
1 219 . 1 1 A 28 28 LEU HA H 28 3.776 4.016 -0.240 2
1 229 . 1 1 A 28 28 LEU C C 28 178.716 179.257 -0.541 2
1 230 . 1 1 A 28 28 LEU CA C 28 58.135 57.959 0.176 2
1 231 . 1 1 A 28 28 LEU CB C 28 40.491 42.038 -1.546 2
1 235 . 1 1 A 28 28 LEU N N 28 120.290 120.420 -0.130 2
1 236 . 1 1 A 29 29 PHE H H 29 8.520 8.553 -0.033 2
1 237 . 1 1 A 29 29 PHE HA H 29 4.324 4.212 0.112 2
1 240 . 1 1 A 29 29 PHE C C 29 178.284 177.875 0.409 2
1 241 . 1 1 A 29 29 PHE CA C 29 59.548 61.231 -1.683 2
1 242 . 1 1 A 29 29 PHE CB C 29 37.576 38.731 -1.155 2
1 243 . 1 1 A 29 29 PHE N N 29 118.434 118.297 0.137 2
1 244 . 1 1 A 30 30 GLU H H 30 8.779 8.672 0.107 2
1 245 . 1 1 A 30 30 GLU HA H 30 3.795 3.789 0.006 2
1 246 . 1 1 A 30 30 GLU C C 30 178.966 178.946 0.020 2
1 247 . 1 1 A 30 30 GLU CA C 30 59.452 59.934 -0.482 2
1 248 . 1 1 A 30 30 GLU CB C 30 29.049 29.140 -0.091 2
1 249 . 1 1 A 30 30 GLU N N 30 117.548 118.597 -1.049 2
1 250 . 1 1 A 31 31 LYS H H 31 7.318 7.754 -0.436 2
1 251 . 1 1 A 31 31 LYS HA H 31 3.668 3.958 -0.289 2
1 259 . 1 1 A 31 31 LYS C C 31 178.665 178.774 -0.109 2
1 260 . 1 1 A 31 31 LYS CA C 31 59.401 59.258 0.143 2
1 261 . 1 1 A 31 31 LYS CB C 31 31.113 32.242 -1.129 2
1 264 . 1 1 A 31 31 LYS N N 31 120.410 119.550 0.860 2
1 265 . 1 1 A 32 32 ALA H H 32 7.311 7.810 -0.499 2
1 266 . 1 1 A 32 32 ALA HA H 32 3.859 3.696 0.164 2
1 270 . 1 1 A 32 32 ALA C C 32 178.384 179.707 -1.323 2
1 271 . 1 1 A 32 32 ALA CA C 32 54.697 54.903 -0.206 2
1 272 . 1 1 A 32 32 ALA CB C 32 15.999 18.339 -2.340 2
1 273 . 1 1 A 32 32 ALA N N 32 121.277 121.774 -0.497 2
1 274 . 1 1 A 33 33 ILE H H 33 8.114 7.902 0.212 2
1 275 . 1 1 A 33 33 ILE HA H 33 3.469 3.328 0.141 2
1 285 . 1 1 A 33 33 ILE C C 33 176.970 177.897 -0.927 2
1 286 . 1 1 A 33 33 ILE CA C 33 64.857 64.885 -0.029 2
1 287 . 1 1 A 33 33 ILE CB C 33 38.669 37.179 1.489 2
1 291 . 1 1 A 33 33 ILE N N 33 118.905 117.675 1.230 2
1 292 . 1 1 A 34 34 GLN H H 34 7.790 7.924 -0.134 2
1 293 . 1 1 A 34 34 GLN HA H 34 3.853 3.954 -0.101 2
1 296 . 1 1 A 34 34 GLN C C 34 178.320 178.372 -0.052 2
1 297 . 1 1 A 34 34 GLN CA C 34 57.696 58.786 -1.090 2
1 298 . 1 1 A 34 34 GLN CB C 34 28.457 28.260 0.197 2
1 299 . 1 1 A 34 34 GLN N N 34 115.405 120.169 -4.764 2
1 300 . 1 1 A 35 35 LEU H H 35 7.092 7.206 -0.114 2
1 301 . 1 1 A 35 35 LEU HA H 35 4.354 4.066 0.288 2
1 311 . 1 1 A 35 35 LEU C C 35 177.841 177.065 0.776 2
1 312 . 1 1 A 35 35 LEU CA C 35 56.273 56.732 -0.459 2
1 313 . 1 1 A 35 35 LEU CB C 35 43.490 42.589 0.901 2
1 317 . 1 1 A 35 35 LEU N N 35 116.678 118.364 -1.686 2
1 318 . 1 1 A 36 36 ASP H H 36 8.367 7.681 0.686 2
1 319 . 1 1 A 36 36 ASP CA C 36 52.138 51.823 0.315 2
1 320 . 1 1 A 36 36 ASP CB C 36 41.549 42.238 -0.689 2
1 321 . 1 1 A 36 36 ASP N N 36 117.682 115.518 2.164 2
1 322 . 1 1 A 37 37 PRO HA H 37 4.940 4.718 0.222 2
1 329 . 1 1 A 37 37 PRO C C 37 178.088 176.818 1.270 2
1 330 . 1 1 A 37 37 PRO CA C 37 64.272 62.973 1.299 2
1 331 . 1 1 A 37 37 PRO CB C 37 32.155 31.446 0.709 2
1 334 . 1 1 A 38 38 GLU H H 38 7.853 8.635 -0.782 2
1 335 . 1 1 A 38 38 GLU HA H 38 4.436 4.587 -0.151 2
1 337 . 1 1 A 38 38 GLU C C 38 174.874 175.878 -1.004 2
1 338 . 1 1 A 38 38 GLU CA C 38 56.200 56.764 -0.564 2
1 339 . 1 1 A 38 38 GLU CB C 38 29.589 30.630 -1.040 2
1 340 . 1 1 A 38 38 GLU N N 38 116.933 119.904 -2.971 2
1 341 . 1 1 A 39 39 GLU H H 39 6.992 7.919 -0.927 2
1 342 . 1 1 A 39 39 GLU HA H 39 4.313 4.582 -0.269 2
1 343 . 1 1 A 39 39 GLU C C 39 176.082 176.550 -0.468 2
1 344 . 1 1 A 39 39 GLU CA C 39 54.591 55.542 -0.951 2
1 345 . 1 1 A 39 39 GLU CB C 39 29.177 29.831 -0.654 2
1 346 . 1 1 A 39 39 GLU N N 39 119.900 121.080 -1.180 2
1 347 . 1 1 A 40 40 SER H H 40 8.458 8.845 -0.387 2
1 348 . 1 1 A 40 40 SER HA H 40 4.103 4.295 -0.192 2
1 350 . 1 1 A 40 40 SER C C 40 176.323 176.913 -0.591 2
1 351 . 1 1 A 40 40 SER CA C 40 61.929 61.653 0.276 2
1 352 . 1 1 A 40 40 SER CB C 40 63.232 63.047 0.185 2
1 353 . 1 1 A 40 40 SER N N 40 125.619 121.339 4.280 2
1 354 . 1 1 A 41 41 LYS H H 41 9.248 8.150 1.098 2
1 355 . 1 1 A 41 41 LYS HA H 41 4.068 4.160 -0.093 2
1 358 . 1 1 A 41 41 LYS C C 41 177.520 178.918 -1.398 2
1 359 . 1 1 A 41 41 LYS CA C 41 59.259 59.166 0.093 2
1 360 . 1 1 A 41 41 LYS CB C 41 31.161 32.381 -1.220 2
1 361 . 1 1 A 41 41 LYS N N 41 119.120 121.450 -2.329 2
1 362 . 1 1 A 42 42 TYR H H 42 6.924 8.178 -1.254 2
1 363 . 1 1 A 42 42 TYR HA H 42 4.301 4.354 -0.053 2
1 368 . 1 1 A 42 42 TYR C C 42 177.269 178.156 -0.887 2
1 369 . 1 1 A 42 42 TYR CA C 42 57.603 60.384 -2.781 2
1 370 . 1 1 A 42 42 TYR CB C 42 37.063 38.219 -1.156 2
1 371 . 1 1 A 42 42 TYR N N 42 118.666 118.434 0.232 2
1 372 . 1 1 A 43 43 TRP H H 43 6.662 7.871 -1.209 2
1 373 . 1 1 A 43 43 TRP HA H 43 3.910 4.499 -0.589 2
1 378 . 1 1 A 43 43 TRP C C 43 178.823 178.756 0.067 2
1 379 . 1 1 A 43 43 TRP CA C 43 59.953 60.182 -0.229 2
1 380 . 1 1 A 43 43 TRP CB C 43 30.759 29.708 1.051 2
1 381 . 1 1 A 43 43 TRP N N 43 118.990 120.565 -1.575 2
1 383 . 1 1 A 44 44 LEU H H 44 8.412 8.915 -0.503 2
1 384 . 1 1 A 44 44 LEU HA H 44 4.112 4.166 -0.054 2
1 394 . 1 1 A 44 44 LEU C C 44 177.758 178.757 -0.999 2
1 395 . 1 1 A 44 44 LEU CA C 44 58.613 58.209 0.405 2
1 396 . 1 1 A 44 44 LEU CB C 44 42.004 41.441 0.563 2
1 400 . 1 1 A 44 44 LEU N N 44 118.970 121.867 -2.897 2
1 401 . 1 1 A 45 45 MET H H 45 7.403 8.202 -0.799 2
1 402 . 1 1 A 45 45 MET HA H 45 4.270 4.096 0.174 2
1 403 . 1 1 A 45 45 MET C C 45 177.749 178.241 -0.492 2
1 404 . 1 1 A 45 45 MET CA C 45 55.159 58.786 -3.627 2
1 405 . 1 1 A 45 45 MET CB C 45 26.925 32.432 -5.507 2
1 406 . 1 1 A 45 45 MET N N 45 113.618 118.187 -4.569 2
1 407 . 1 1 A 46 46 LYS H H 46 7.623 7.736 -0.113 2
1 408 . 1 1 A 46 46 LYS HA H 46 3.906 3.685 0.221 2
1 409 . 1 1 A 46 46 LYS C C 46 178.056 179.311 -1.255 2
1 410 . 1 1 A 46 46 LYS CA C 46 61.394 59.590 1.804 2
1 411 . 1 1 A 46 46 LYS CB C 46 32.442 31.969 0.473 2
1 412 . 1 1 A 46 46 LYS N N 46 119.840 119.749 0.091 2
1 413 . 1 1 A 47 47 GLY H H 47 8.495 8.111 0.384 2
1 414 . 1 1 A 47 47 GLY HA2 H 47 3.730 3.397 0.334 2
1 415 . 1 1 A 47 47 GLY HA3 H 47 3.612 3.628 -0.016 2
1 416 . 1 1 A 47 47 GLY C C 47 175.340 175.722 -0.382 2
1 417 . 1 1 A 47 47 GLY CA C 47 47.689 47.286 0.403 2
1 418 . 1 1 A 47 47 GLY N N 47 105.741 107.478 -1.737 2
1 419 . 1 1 A 48 48 LYS H H 48 8.760 7.765 0.995 2
1 420 . 1 1 A 48 48 LYS HA H 48 3.969 4.171 -0.202 2
1 428 . 1 1 A 48 48 LYS C C 48 180.425 179.125 1.300 2
1 429 . 1 1 A 48 48 LYS CA C 48 60.506 59.736 0.770 2
1 430 . 1 1 A 48 48 LYS CB C 48 30.964 32.255 -1.291 2
1 433 . 1 1 A 48 48 LYS N N 48 122.568 121.864 0.704 2
1 434 . 1 1 A 49 49 ALA H H 49 8.668 7.872 0.795 2
1 435 . 1 1 A 49 49 ALA HA H 49 4.084 3.997 0.087 2
1 439 . 1 1 A 49 49 ALA C C 49 178.870 180.049 -1.179 2
1 440 . 1 1 A 49 49 ALA CA C 49 55.777 55.102 0.675 2
1 441 . 1 1 A 49 49 ALA CB C 49 17.702 18.640 -0.938 2
1 442 . 1 1 A 49 49 ALA N N 49 124.484 122.124 2.361 2
1 443 . 1 1 A 50 50 LEU H H 50 8.192 8.264 -0.072 2
1 444 . 1 1 A 50 50 LEU HA H 50 3.771 3.899 -0.128 2
1 454 . 1 1 A 50 50 LEU C C 50 179.839 178.789 1.050 2
1 455 . 1 1 A 50 50 LEU CA C 50 58.727 57.773 0.954 2
1 456 . 1 1 A 50 50 LEU CB C 50 40.549 41.981 -1.432 2
1 460 . 1 1 A 50 50 LEU N N 50 118.843 118.121 0.722 2
1 461 . 1 1 A 51 51 TYR H H 51 9.282 8.639 0.643 2
1 462 . 1 1 A 51 51 TYR HA H 51 3.557 3.841 -0.284 2
1 469 . 1 1 A 51 51 TYR C C 51 179.177 177.845 1.332 2
1 470 . 1 1 A 51 51 TYR CA C 51 61.878 62.160 -0.282 2
1 471 . 1 1 A 51 51 TYR CB C 51 38.249 38.657 -0.408 2
1 472 . 1 1 A 51 51 TYR N N 51 122.719 119.538 3.181 2
1 473 . 1 1 A 52 52 ASN H H 52 7.882 8.294 -0.412 2
1 474 . 1 1 A 52 52 ASN HA H 52 4.084 3.936 0.148 2
1 477 . 1 1 A 52 52 ASN C C 52 175.615 176.821 -1.205 2
1 478 . 1 1 A 52 52 ASN CA C 52 55.964 55.877 0.086 2
1 479 . 1 1 A 52 52 ASN CB C 52 37.219 38.535 -1.316 2
1 480 . 1 1 A 52 52 ASN N N 52 120.327 117.728 2.599 2
1 481 . 1 1 A 53 53 LEU H H 53 7.178 7.307 -0.129 2
1 482 . 1 1 A 53 53 LEU HA H 53 4.299 4.089 0.210 2
1 492 . 1 1 A 53 53 LEU C C 53 175.095 176.030 -0.935 2
1 493 . 1 1 A 53 53 LEU CA C 53 54.112 54.647 -0.535 2
1 494 . 1 1 A 53 53 LEU CB C 53 42.548 41.861 0.687 2
1 498 . 1 1 A 53 53 LEU N N 53 119.827 117.262 2.565 2
1 499 . 1 1 A 54 54 GLU H H 54 7.515 7.708 -0.193 2
1 500 . 1 1 A 54 54 GLU C C 54 175.118 175.284 -0.166 2
1 501 . 1 1 A 54 54 GLU CA C 54 56.811 57.323 -0.512 2
1 502 . 1 1 A 54 54 GLU CB C 54 25.944 27.836 -1.892 2
1 503 . 1 1 A 54 54 GLU N N 54 112.799 116.819 -4.020 2
1 504 . 1 1 A 55 55 ARG H H 55 7.719 7.837 -0.118 2
1 505 . 1 1 A 55 55 ARG HA H 55 4.407 4.483 -0.076 2
1 512 . 1 1 A 55 55 ARG C C 55 176.820 176.055 0.765 2
1 513 . 1 1 A 55 55 ARG CA C 55 54.493 53.883 0.609 2
1 514 . 1 1 A 55 55 ARG CB C 55 29.041 28.458 0.583 2
1 517 . 1 1 A 55 55 ARG N N 55 122.369 119.692 2.677 2
1 518 . 1 1 A 56 56 TYR H H 56 6.403 7.362 -0.959 2
1 519 . 1 1 A 56 56 TYR HA H 56 3.879 4.252 -0.373 2
1 526 . 1 1 A 56 56 TYR C C 56 177.879 178.234 -0.356 2
1 527 . 1 1 A 56 56 TYR CA C 56 62.080 61.027 1.053 2
1 528 . 1 1 A 56 56 TYR CB C 56 38.443 38.087 0.356 2
1 529 . 1 1 A 56 56 TYR N N 56 117.128 120.543 -3.415 2
1 530 . 1 1 A 57 57 GLU H H 57 9.032 8.440 0.592 2
1 531 . 1 1 A 57 57 GLU HA H 57 3.865 4.052 -0.187 2
1 532 . 1 1 A 57 57 GLU C C 57 179.417 179.119 0.298 2
1 533 . 1 1 A 57 57 GLU CA C 57 60.722 59.704 1.018 2
1 534 . 1 1 A 57 57 GLU CB C 57 29.124 29.317 -0.193 2
1 535 . 1 1 A 57 57 GLU N N 57 118.981 119.783 -0.802 2
1 536 . 1 1 A 58 58 GLU H H 58 8.286 8.166 0.119 2
1 537 . 1 1 A 58 58 GLU HA H 58 4.050 4.133 -0.083 2
1 538 . 1 1 A 58 58 GLU C C 58 179.476 178.685 0.791 2
1 539 . 1 1 A 58 58 GLU CA C 58 59.289 59.406 -0.117 2
1 540 . 1 1 A 58 58 GLU CB C 58 31.234 29.443 1.791 2
1 541 . 1 1 A 58 58 GLU N N 58 119.123 119.808 -0.685 2
1 542 . 1 1 A 59 59 ALA H H 59 8.131 8.496 -0.365 2
1 543 . 1 1 A 59 59 ALA HA H 59 3.786 4.011 -0.225 2
1 547 . 1 1 A 59 59 ALA C C 59 178.281 180.012 -1.731 2
1 548 . 1 1 A 59 59 ALA CA C 59 56.324 55.289 1.035 2
1 549 . 1 1 A 59 59 ALA CB C 59 17.444 18.269 -0.825 2
1 550 . 1 1 A 59 59 ALA N N 59 124.009 122.629 1.381 2
1 551 . 1 1 A 60 60 VAL H H 60 8.079 7.984 0.095 2
1 552 . 1 1 A 60 60 VAL HA H 60 3.439 3.552 -0.113 2
1 560 . 1 1 A 60 60 VAL C C 60 177.323 177.763 -0.440 2
1 561 . 1 1 A 60 60 VAL CA C 60 67.410 66.769 0.641 2
1 562 . 1 1 A 60 60 VAL CB C 60 31.259 31.479 -0.220 2
1 565 . 1 1 A 60 60 VAL N N 60 116.647 118.342 -1.695 2
1 566 . 1 1 A 61 61 ASP H H 61 7.737 8.208 -0.471 2
1 567 . 1 1 A 61 61 ASP HA H 61 4.446 4.381 0.065 2
1 570 . 1 1 A 61 61 ASP C C 61 179.986 178.694 1.292 2
1 571 . 1 1 A 61 61 ASP CA C 61 58.123 57.747 0.376 2
1 572 . 1 1 A 61 61 ASP CB C 61 40.160 41.167 -1.007 2
1 573 . 1 1 A 61 61 ASP N N 61 119.276 120.138 -0.862 2
1 574 . 1 1 A 62 62 CYS H H 62 7.387 7.933 -0.546 2
1 575 . 1 1 A 62 62 CYS HA H 62 4.337 4.033 0.304 2
1 578 . 1 1 A 62 62 CYS C C 62 176.276 176.790 -0.514 2
1 579 . 1 1 A 62 62 CYS CA C 62 63.585 63.490 0.094 2
1 580 . 1 1 A 62 62 CYS CB C 62 26.441 27.615 -1.174 2
1 581 . 1 1 A 62 62 CYS N N 62 118.794 118.411 0.383 2
1 582 . 1 1 A 63 63 TYR H H 63 7.391 8.013 -0.622 2
1 583 . 1 1 A 63 63 TYR HA H 63 4.249 4.213 0.036 2
1 588 . 1 1 A 63 63 TYR C C 63 178.113 178.177 -0.063 2
1 589 . 1 1 A 63 63 TYR CA C 63 57.994 61.830 -3.836 2
1 590 . 1 1 A 63 63 TYR CB C 63 36.288 38.157 -1.869 2
1 591 . 1 1 A 63 63 TYR N N 63 119.775 120.299 -0.524 2
1 592 . 1 1 A 64 64 ASN H H 64 9.121 8.650 0.471 2
1 593 . 1 1 A 64 64 ASN HA H 64 4.328 4.327 0.001 2
1 596 . 1 1 A 64 64 ASN C C 64 177.346 177.221 0.125 2
1 597 . 1 1 A 64 64 ASN CA C 64 54.809 56.161 -1.352 2
1 598 . 1 1 A 64 64 ASN CB C 64 36.904 38.381 -1.477 2
1 599 . 1 1 A 64 64 ASN N N 64 117.343 117.789 -0.446 2
1 600 . 1 1 A 65 65 TYR H H 65 7.635 8.036 -0.401 2
1 601 . 1 1 A 65 65 TYR HA H 65 3.660 3.974 -0.315 2
1 608 . 1 1 A 65 65 TYR C C 65 178.599 176.810 1.789 2
1 609 . 1 1 A 65 65 TYR CA C 65 62.267 61.349 0.918 2
1 610 . 1 1 A 65 65 TYR CB C 65 37.886 38.422 -0.536 2
1 611 . 1 1 A 65 65 TYR N N 65 124.181 121.546 2.635 2
1 612 . 1 1 A 66 66 VAL H H 66 7.093 8.053 -0.960 2
1 613 . 1 1 A 66 66 VAL HA H 66 3.316 3.559 -0.243 2
1 621 . 1 1 A 66 66 VAL C C 66 177.070 178.200 -1.130 2
1 622 . 1 1 A 66 66 VAL CA C 66 65.944 66.625 -0.681 2
1 623 . 1 1 A 66 66 VAL CB C 66 31.613 31.593 0.020 2
1 626 . 1 1 A 66 66 VAL N N 66 119.247 119.237 0.010 2
1 627 . 1 1 A 67 67 ILE H H 67 7.640 7.931 -0.291 2
1 628 . 1 1 A 67 67 ILE HA H 67 3.056 3.715 -0.659 2
1 638 . 1 1 A 67 67 ILE C C 67 176.822 178.451 -1.629 2
1 639 . 1 1 A 67 67 ILE CA C 67 64.902 64.292 0.610 2
1 640 . 1 1 A 67 67 ILE CB C 67 39.444 37.389 2.055 2
1 644 . 1 1 A 67 67 ILE N N 67 117.814 120.017 -2.203 2
1 645 . 1 1 A 68 68 ASN H H 68 8.587 8.413 0.174 2
1 646 . 1 1 A 68 68 ASN HA H 68 4.564 4.431 0.133 2
1 649 . 1 1 A 68 68 ASN C C 68 176.007 177.385 -1.378 2
1 650 . 1 1 A 68 68 ASN CA C 68 54.569 55.625 -1.056 2
1 651 . 1 1 A 68 68 ASN CB C 68 39.424 38.747 0.677 2
1 652 . 1 1 A 68 68 ASN N N 68 112.692 119.925 -7.233 2
1 653 . 1 1 A 69 69 VAL H H 69 7.607 7.641 -0.034 2
1 654 . 1 1 A 69 69 VAL HA H 69 3.813 3.542 0.271 2
1 661 . 1 1 A 69 69 VAL C C 69 177.490 175.774 1.716 2
1 662 . 1 1 A 69 69 VAL CA C 69 64.763 65.928 -1.165 2
1 663 . 1 1 A 69 69 VAL CB C 69 30.804 31.389 -0.585 2
1 666 . 1 1 A 69 69 VAL N N 69 119.569 117.714 1.855 2
1 667 . 1 1 A 70 70 ILE H H 70 7.489 7.799 -0.310 2
1 668 . 1 1 A 70 70 ILE HA H 70 3.635 4.363 -0.728 2
1 678 . 1 1 A 70 70 ILE C C 70 176.523 176.077 0.446 2
1 679 . 1 1 A 70 70 ILE CA C 70 64.090 60.265 3.825 2
1 680 . 1 1 A 70 70 ILE CB C 70 37.026 39.051 -2.025 2
1 684 . 1 1 A 70 70 ILE N N 70 119.276 119.965 -0.689 2
1 685 . 1 1 A 71 71 GLU H H 71 6.641 8.888 -2.247 2
1 686 . 1 1 A 71 71 GLU HA H 71 3.865 4.298 -0.433 2
1 690 . 1 1 A 71 71 GLU C C 71 176.415 176.701 -0.286 2
1 691 . 1 1 A 71 71 GLU CA C 71 57.229 57.088 0.141 2
1 692 . 1 1 A 71 71 GLU CB C 71 26.142 29.170 -3.028 2
1 694 . 1 1 A 71 71 GLU N N 71 110.179 126.632 -16.453 2
1 695 . 1 1 A 72 72 ASP H H 72 7.744 8.120 -0.376 2
1 696 . 1 1 A 72 72 ASP HA H 72 4.813 4.599 0.214 2
1 699 . 1 1 A 72 72 ASP C C 72 176.230 176.271 -0.041 2
1 700 . 1 1 A 72 72 ASP CA C 72 52.203 54.631 -2.428 2
1 701 . 1 1 A 72 72 ASP CB C 72 39.256 40.045 -0.790 2
1 702 . 1 1 A 72 72 ASP N N 72 121.733 121.054 0.679 2
1 703 . 1 1 A 73 73 GLU H H 73 7.510 8.200 -0.690 2
1 704 . 1 1 A 73 73 GLU HA H 73 3.946 4.444 -0.498 2
1 709 . 1 1 A 73 73 GLU C C 73 176.745 176.198 0.547 2
1 710 . 1 1 A 73 73 GLU CA C 73 58.303 57.005 1.298 2
1 711 . 1 1 A 73 73 GLU CB C 73 30.664 28.921 1.743 2
1 713 . 1 1 A 73 73 GLU N N 73 116.724 120.550 -3.826 2
1 714 . 1 1 A 74 74 TYR H H 74 8.794 8.258 0.536 2
1 715 . 1 1 A 74 74 TYR HA H 74 4.875 4.676 0.200 2
1 722 . 1 1 A 74 74 TYR C C 74 174.879 175.187 -0.308 2
1 723 . 1 1 A 74 74 TYR CA C 74 56.732 58.219 -1.488 2
1 724 . 1 1 A 74 74 TYR CB C 74 37.069 39.820 -2.751 2
1 725 . 1 1 A 74 74 TYR N N 74 120.080 122.817 -2.737 2
1 726 . 1 1 A 75 75 ASN H H 75 7.237 7.694 -0.457 2
1 727 . 1 1 A 75 75 ASN HA H 75 4.601 4.715 -0.114 2
1 730 . 1 1 A 75 75 ASN C C 75 175.146 175.732 -0.586 2
1 731 . 1 1 A 75 75 ASN CA C 75 53.124 52.977 0.147 2
1 732 . 1 1 A 75 75 ASN CB C 75 37.755 38.967 -1.212 2
1 733 . 1 1 A 75 75 ASN N N 75 118.665 119.197 -0.532 2
1 734 . 1 1 A 76 76 LYS H H 76 8.672 8.523 0.149 2
1 735 . 1 1 A 76 76 LYS HA H 76 4.077 3.910 0.167 2
1 742 . 1 1 A 76 76 LYS C C 76 177.773 178.275 -0.502 2
1 743 . 1 1 A 76 76 LYS CA C 76 60.060 59.463 0.597 2
1 744 . 1 1 A 76 76 LYS CB C 76 37.827 32.148 5.679 2
1 748 . 1 1 A 76 76 LYS N N 76 127.868 125.399 2.469 2
1 749 . 1 1 A 77 77 ASP H H 77 7.946 8.072 -0.126 2
1 750 . 1 1 A 77 77 ASP HA H 77 4.414 4.446 -0.032 2
1 753 . 1 1 A 77 77 ASP C C 77 179.265 178.790 0.475 2
1 754 . 1 1 A 77 77 ASP CA C 77 57.127 57.314 -0.187 2
1 755 . 1 1 A 77 77 ASP CB C 77 40.634 41.023 -0.389 2
1 756 . 1 1 A 77 77 ASP N N 77 117.883 119.806 -1.923 2
1 757 . 1 1 A 78 78 VAL H H 78 7.653 8.148 -0.495 2
1 758 . 1 1 A 78 78 VAL HA H 78 3.282 3.580 -0.298 2
1 766 . 1 1 A 78 78 VAL C C 78 176.624 178.184 -1.559 2
1 767 . 1 1 A 78 78 VAL CA C 78 65.531 66.480 -0.949 2
1 768 . 1 1 A 78 78 VAL CB C 78 31.290 31.662 -0.372 2
1 771 . 1 1 A 78 78 VAL N N 78 121.259 119.613 1.646 2
1 772 . 1 1 A 79 79 TRP H H 79 7.626 8.194 -0.568 2
1 773 . 1 1 A 79 79 TRP HA H 79 4.107 4.469 -0.362 2
1 778 . 1 1 A 79 79 TRP C C 79 177.932 178.770 -0.838 2
1 779 . 1 1 A 79 79 TRP CA C 79 61.491 60.030 1.461 2
1 780 . 1 1 A 79 79 TRP CB C 79 28.665 28.849 -0.184 2
1 781 . 1 1 A 79 79 TRP N N 79 120.388 120.100 0.288 2
1 783 . 1 1 A 80 80 ALA H H 80 8.296 8.674 -0.378 2
1 784 . 1 1 A 80 80 ALA HA H 80 3.898 3.908 -0.010 2
1 788 . 1 1 A 80 80 ALA C C 80 176.556 179.623 -3.067 2
1 789 . 1 1 A 80 80 ALA CA C 80 55.158 55.328 -0.169 2
1 790 . 1 1 A 80 80 ALA CB C 80 18.155 18.171 -0.016 2
1 791 . 1 1 A 80 80 ALA N N 80 120.453 121.356 -0.903 2
1 792 . 1 1 A 81 81 ALA H H 81 7.405 8.079 -0.674 2
1 793 . 1 1 A 81 81 ALA HA H 81 3.837 3.918 -0.081 2
1 797 . 1 1 A 81 81 ALA C C 81 180.646 178.888 1.757 2
1 798 . 1 1 A 81 81 ALA CA C 81 55.028 55.210 -0.182 2
1 799 . 1 1 A 81 81 ALA CB C 81 15.649 18.146 -2.497 2
1 800 . 1 1 A 81 81 ALA N N 81 120.915 120.227 0.688 2
1 801 . 1 1 A 82 82 LYS H H 82 8.244 7.744 0.500 2
1 802 . 1 1 A 82 82 LYS HA H 82 3.853 3.637 0.216 2
1 811 . 1 1 A 82 82 LYS C C 82 177.176 178.340 -1.164 2
1 812 . 1 1 A 82 82 LYS CA C 82 60.577 58.912 1.665 2
1 813 . 1 1 A 82 82 LYS CB C 82 32.243 31.987 0.256 2
1 816 . 1 1 A 82 82 LYS N N 82 121.979 118.283 3.696 2
1 817 . 1 1 A 83 83 ALA H H 83 8.422 7.989 0.433 2
1 818 . 1 1 A 83 83 ALA HA H 83 3.894 4.038 -0.144 2
1 822 . 1 1 A 83 83 ALA C C 83 178.746 179.691 -0.945 2
1 823 . 1 1 A 83 83 ALA CA C 83 56.268 55.179 1.089 2
1 824 . 1 1 A 83 83 ALA CB C 83 17.700 18.198 -0.498 2
1 825 . 1 1 A 83 83 ALA N N 83 121.419 121.681 -0.262 2
1 826 . 1 1 A 84 84 ASP H H 84 7.481 7.999 -0.518 2
1 827 . 1 1 A 84 84 ASP HA H 84 4.377 4.328 0.049 2
1 828 . 1 1 A 84 84 ASP C C 84 178.394 178.247 0.147 2
1 829 . 1 1 A 84 84 ASP CA C 84 56.946 56.971 -0.025 2
1 830 . 1 1 A 84 84 ASP CB C 84 40.351 40.383 -0.032 2
1 831 . 1 1 A 84 84 ASP N N 84 114.693 119.144 -4.451 2
1 832 . 1 1 A 85 85 ALA H H 85 7.680 7.201 0.479 2
1 833 . 1 1 A 85 85 ALA HA H 85 4.521 4.176 0.345 2
1 837 . 1 1 A 85 85 ALA C C 85 179.100 180.530 -1.431 2
1 838 . 1 1 A 85 85 ALA CA C 85 55.819 54.946 0.873 2
1 839 . 1 1 A 85 85 ALA CB C 85 19.257 18.398 0.860 2
1 840 . 1 1 A 85 85 ALA N N 85 119.105 122.422 -3.317 2
1 841 . 1 1 A 86 86 LEU H H 86 8.516 8.212 0.304 2
1 842 . 1 1 A 86 86 LEU HA H 86 3.919 4.022 -0.103 2
1 852 . 1 1 A 86 86 LEU C C 86 178.767 178.855 -0.088 2
1 853 . 1 1 A 86 86 LEU CA C 86 48.892 57.463 -8.571 2
1 854 . 1 1 A 86 86 LEU CB C 86 43.011 41.368 1.643 2
1 858 . 1 1 A 86 86 LEU N N 86 115.208 119.440 -4.232 2
1 859 . 1 1 A 87 87 ARG H H 87 7.329 8.063 -0.734 2
1 860 . 1 1 A 87 87 ARG HA H 87 3.851 3.972 -0.121 2
1 867 . 1 1 A 87 87 ARG C C 87 176.800 175.965 0.835 2
1 868 . 1 1 A 87 87 ARG CA C 87 58.315 58.178 0.137 2
1 869 . 1 1 A 87 87 ARG CB C 87 27.514 30.014 -2.500 2
1 872 . 1 1 A 87 87 ARG N N 87 115.227 118.964 -3.737 2
1 873 . 1 1 A 88 88 TYR H H 88 7.201 7.620 -0.419 2
1 874 . 1 1 A 88 88 TYR HA H 88 4.193 4.701 -0.508 2
1 881 . 1 1 A 88 88 TYR C C 88 174.958 173.678 1.280 2
1 882 . 1 1 A 88 88 TYR CA C 88 58.463 56.666 1.797 2
1 883 . 1 1 A 88 88 TYR CB C 88 38.457 38.140 0.317 2
1 884 . 1 1 A 88 88 TYR N N 88 115.558 116.831 -1.273 2
1 885 . 1 1 A 89 89 ILE H H 89 7.374 7.885 -0.511 2
1 886 . 1 1 A 89 89 ILE HA H 89 4.175 4.676 -0.501 2
1 895 . 1 1 A 89 89 ILE C C 89 174.900 174.653 0.247 2
1 896 . 1 1 A 89 89 ILE CA C 89 60.978 59.507 1.471 2
1 897 . 1 1 A 89 89 ILE CB C 89 38.945 41.609 -2.664 2
1 901 . 1 1 A 89 89 ILE N N 89 122.120 123.183 -1.063 2
1 902 . 1 1 A 90 90 GLU H H 90 8.655 8.618 0.037 2
1 903 . 1 1 A 90 90 GLU HA H 90 4.159 4.242 -0.083 2
1 905 . 1 1 A 90 90 GLU CA C 90 57.914 57.472 0.442 2
1 906 . 1 1 A 90 90 GLU CB C 90 29.894 29.686 0.208 2
1 907 . 1 1 A 90 90 GLU N N 90 128.417 127.460 0.957 2
1 908 . 1 1 A 91 91 GLY H H 91 9.089 8.200 0.889 2
1 909 . 1 1 A 91 91 GLY HA2 H 91 4.293 4.064 0.229 2
1 910 . 1 1 A 91 91 GLY HA3 H 91 4.039 4.075 -0.036 2
1 911 . 1 1 A 91 91 GLY CA C 91 45.756 45.742 0.014 2
1 912 . 1 1 A 91 91 GLY N N 91 112.760 109.612 3.148 2
1 913 . 1 1 A 93 93 GLU C C 93 176.315 176.659 -0.344 2
1 914 . 1 1 A 94 94 VAL H H 94 8.288 8.195 0.093 2
1 915 . 1 1 A 94 94 VAL HA H 94 3.800 4.004 -0.204 2
1 920 . 1 1 A 94 94 VAL C C 94 178.292 176.837 1.455 2
1 921 . 1 1 A 94 94 VAL CA C 94 56.374 63.431 -7.057 2
1 922 . 1 1 A 94 94 VAL CB C 94 31.630 31.608 0.022 2
1 923 . 1 1 A 94 94 VAL N N 94 119.837 120.515 -0.678 2
1 924 . 1 1 A 95 95 GLU H H 95 8.207 8.176 0.031 2
1 925 . 1 1 A 95 95 GLU HA H 95 3.931 3.998 -0.067 2
1 927 . 1 1 A 95 95 GLU C C 95 179.514 178.884 0.630 2
1 928 . 1 1 A 95 95 GLU CA C 95 60.215 59.397 0.818 2
1 929 . 1 1 A 95 95 GLU CB C 95 29.419 29.437 -0.018 2
1 930 . 1 1 A 95 95 GLU N N 95 120.805 122.878 -2.073 2
1 931 . 1 1 A 96 96 ALA H H 96 8.839 8.102 0.737 2
1 932 . 1 1 A 96 96 ALA HA H 96 4.029 4.025 0.004 2
1 936 . 1 1 A 96 96 ALA C C 96 179.047 179.734 -0.688 2
1 937 . 1 1 A 96 96 ALA CA C 96 54.866 54.841 0.025 2
1 938 . 1 1 A 96 96 ALA CB C 96 17.667 18.349 -0.681 2
1 939 . 1 1 A 96 96 ALA N N 96 123.226 122.035 1.191 2
1 940 . 1 1 A 97 97 GLU H H 97 7.763 7.823 -0.060 2
1 941 . 1 1 A 97 97 GLU HA H 97 4.055 4.029 0.025 2
1 943 . 1 1 A 97 97 GLU C C 97 178.015 179.178 -1.163 2
1 944 . 1 1 A 97 97 GLU CA C 97 59.138 59.289 -0.151 2
1 945 . 1 1 A 97 97 GLU CB C 97 29.588 29.533 0.055 2
1 946 . 1 1 A 97 97 GLU N N 97 118.606 118.054 0.552 2
1 947 . 1 1 A 98 98 ILE H H 98 8.118 8.016 0.102 2
1 948 . 1 1 A 98 98 ILE HA H 98 3.657 3.733 -0.076 2
1 958 . 1 1 A 98 98 ILE C C 98 178.015 177.932 0.083 2
1 959 . 1 1 A 98 98 ILE CA C 98 64.831 65.541 -0.710 2
1 960 . 1 1 A 98 98 ILE CB C 98 38.402 37.972 0.430 2
1 964 . 1 1 A 98 98 ILE N N 98 122.339 120.243 2.096 2
1 965 . 1 1 A 99 99 ALA H H 99 8.117 8.312 -0.195 2
1 966 . 1 1 A 99 99 ALA HA H 99 4.210 4.033 0.177 2
1 970 . 1 1 A 99 99 ALA C C 99 178.762 179.207 -0.445 2
1 971 . 1 1 A 99 99 ALA CA C 99 55.360 55.584 -0.224 2
1 972 . 1 1 A 99 99 ALA CB C 99 17.499 18.163 -0.664 2
1 973 . 1 1 A 99 99 ALA N N 99 122.357 122.548 -0.191 2
1 974 . 1 1 A 100 100 GLU H H 100 8.345 8.398 -0.053 2
1 975 . 1 1 A 100 100 GLU HA H 100 3.787 4.005 -0.218 2
1 978 . 1 1 A 100 100 GLU C C 100 178.463 178.540 -0.077 2
1 979 . 1 1 A 100 100 GLU CA C 100 59.063 59.254 -0.191 2
1 980 . 1 1 A 100 100 GLU CB C 100 29.670 29.396 0.274 2
1 981 . 1 1 A 100 100 GLU N N 100 118.391 118.025 0.366 2
1 982 . 1 1 A 101 101 ALA H H 101 7.693 8.393 -0.700 2
1 983 . 1 1 A 101 101 ALA HA H 101 4.111 4.015 0.096 2
1 987 . 1 1 A 101 101 ALA C C 101 180.967 179.522 1.445 2
1 988 . 1 1 A 101 101 ALA CA C 101 54.383 55.270 -0.888 2
1 989 . 1 1 A 101 101 ALA CB C 101 18.097 18.158 -0.061 2
1 990 . 1 1 A 101 101 ALA N N 101 120.699 121.372 -0.673 2
1 991 . 1 1 A 102 102 ARG H H 102 7.959 8.574 -0.615 2
1 992 . 1 1 A 102 102 ARG HA H 102 3.705 3.928 -0.223 2
1 993 . 1 1 A 102 102 ARG C C 102 178.310 178.243 0.067 2
1 994 . 1 1 A 102 102 ARG CA C 102 57.696 59.201 -1.505 2
1 995 . 1 1 A 102 102 ARG CB C 102 28.404 29.884 -1.480 2
1 996 . 1 1 A 102 102 ARG N N 102 118.386 118.417 -0.031 2
1 997 . 1 1 A 103 103 ALA H H 103 7.896 8.494 -0.598 2
1 998 . 1 1 A 103 103 ALA HA H 103 4.108 4.117 -0.009 2
1 1002 . 1 1 A 103 103 ALA C C 103 178.184 179.422 -1.238 2
1 1003 . 1 1 A 103 103 ALA CA C 103 54.210 54.941 -0.731 2
1 1004 . 1 1 A 103 103 ALA CB C 103 18.430 18.404 0.026 2
1 1005 . 1 1 A 103 103 ALA N N 103 120.630 121.649 -1.019 2
1 1006 . 1 1 A 104 104 LYS H H 104 7.337 7.624 -0.287 2
1 1007 . 1 1 A 104 104 LYS HA H 104 4.150 4.210 -0.060 2
1 1013 . 1 1 A 104 104 LYS C C 104 177.211 176.845 0.366 2
1 1014 . 1 1 A 104 104 LYS CA C 104 56.429 57.920 -1.491 2
1 1015 . 1 1 A 104 104 LYS CB C 104 32.810 32.520 0.291 2
1 1018 . 1 1 A 104 104 LYS N N 104 115.288 117.284 -1.996 2
1 1019 . 1 1 A 105 105 LEU H H 105 7.511 7.664 -0.153 2
1 1020 . 1 1 A 105 105 LEU HA H 105 4.162 4.261 -0.099 2
1 1030 . 1 1 A 105 105 LEU C C 105 177.260 176.039 1.221 2
1 1031 . 1 1 A 105 105 LEU CA C 105 56.227 55.429 0.798 2
1 1032 . 1 1 A 105 105 LEU CB C 105 42.365 42.206 0.159 2
1 1036 . 1 1 A 105 105 LEU N N 105 120.938 120.864 0.074 2
1 1037 . 1 1 A 106 106 GLU H H 106 8.283 8.555 -0.272 2
1 1038 . 1 1 A 106 106 GLU HA H 106 4.167 4.355 -0.188 2
1 1041 . 1 1 A 106 106 GLU C C 106 173.877 176.060 -2.183 2
1 1042 . 1 1 A 106 106 GLU CA C 106 55.862 57.105 -1.243 2
1 1043 . 1 1 A 106 106 GLU CB C 106 30.289 30.854 -0.565 2
1 1044 . 1 1 A 106 106 GLU N N 106 121.004 125.238 -4.234 2
1 1045 . 1 1 A 107 107 HIS H H 107 8.128 8.116 0.012 2
1 1046 . 1 1 A 107 107 HIS CA C 107 57.258 56.045 1.213 2
1 1047 . 1 1 A 107 107 HIS CB C 107 30.252 31.303 -1.051 2
stop_
save_