data_10151_sparta
save_entry_information
_Entry.Sf_category entry_information
_Entry.Sf_framecode entry_information
_Entry.ID 10151
_Entry.PDB_ID 2EN6
_Entry.NMR_STAR_version 3.0.9.100
save_
save_delta_chem_shifts_single
_Entity_delta_chem_shifts.Sf_category delta_chem_shifts
_Entity_delta_chem_shifts.Sf_framecode delta_chem_shifts_single
_Entity_delta_chem_shifts.Conformer_type "single"
_Entity_delta_chem_shifts.Conformer_count 20
_Entity_delta_chem_shifts.Best_conformer 1
_Entity_delta_chem_shifts.ID 1
loop_
_Delta_CS.Assigned_chem_shift_list_ID
_Delta_CS.Atom_chem_shift_ID
_Delta_CS.Assembly_atom_ID
_Delta_CS.Conformer_ID
_Delta_CS.Entity_assembly_ID
_Delta_CS.Entity_ID
_Delta_CS.PDB_asym_ID
_Delta_CS.Comp_index_ID
_Delta_CS.Seq_ID
_Delta_CS.Comp_ID
_Delta_CS.Atom_ID
_Delta_CS.Atom_type
_Delta_CS.Auth_seq_ID
_Delta_CS.Original_CS_value
_Delta_CS.Sparta_CS_value
_Delta_CS.Delta_CS_value
_Delta_CS.Entity_delta_chem_shifts_ID
1 1 . 1 1 1 A 9 9 GLY CA C 9 45.275 45.703 -0.428 1
1 2 . 1 1 1 A 9 9 GLY HA3 H 9 3.928 3.982 -0.054 1
1 3 . 1 1 1 A 9 9 GLY C C 9 174.122 175.053 -0.931 1
1 4 . 1 1 1 A 9 9 GLY HA2 H 9 3.928 3.973 -0.045 1
1 5 . 1 1 1 A 10 10 GLU N N 10 120.285 119.767 0.518 1
1 6 . 1 1 1 A 10 10 GLU H H 10 8.221 8.320 -0.099 1
1 7 . 1 1 1 A 10 10 GLU CA C 10 56.848 57.820 -0.972 1
1 8 . 1 1 1 A 10 10 GLU HA H 10 4.171 4.380 -0.209 1
1 9 . 1 1 1 A 10 10 GLU CB C 10 30.334 30.926 -0.592 1
1 13 . 1 1 1 A 10 10 GLU C C 10 176.429 176.814 -0.385 1
1 16 . 1 1 1 A 11 11 LYS N N 11 121.992 118.648 3.344 1
1 17 . 1 1 1 A 11 11 LYS H H 11 8.280 7.812 0.468 1
1 18 . 1 1 1 A 11 11 LYS CA C 11 53.934 53.873 0.061 1
1 19 . 1 1 1 A 11 11 LYS HA H 11 4.454 5.083 -0.629 1
1 20 . 1 1 1 A 11 11 LYS CB C 11 32.677 33.246 -0.569 1
1 28 . 1 1 1 A 11 11 LYS C C 11 174.147 174.798 -0.651 1
1 33 . 1 1 1 A 12 12 PRO CA C 12 63.503 64.077 -0.574 1
1 34 . 1 1 1 A 12 12 PRO HA H 12 4.262 4.435 -0.173 1
1 35 . 1 1 1 A 12 12 PRO CB C 12 32.320 31.534 0.786 1
1 41 . 1 1 1 A 12 12 PRO C C 12 176.429 175.671 0.758 1
1 45 . 1 1 1 A 13 13 TYR N N 13 118.187 119.373 -1.186 1
1 46 . 1 1 1 A 13 13 TYR H H 13 7.892 7.104 0.788 1
1 47 . 1 1 1 A 13 13 TYR CA C 13 57.274 56.273 1.001 1
1 48 . 1 1 1 A 13 13 TYR HA H 13 4.663 5.021 -0.358 1
1 49 . 1 1 1 A 13 13 TYR CB C 13 38.361 41.365 -3.004 1
1 59 . 1 1 1 A 13 13 TYR C C 13 175.189 175.891 -0.702 1
1 61 . 1 1 1 A 14 14 GLY N N 14 111.782 108.850 2.932 1
1 62 . 1 1 1 A 14 14 GLY H H 14 8.597 8.880 -0.283 1
1 63 . 1 1 1 A 14 14 GLY CA C 14 44.676 45.405 -0.729 1
1 64 . 1 1 1 A 14 14 GLY HA3 H 14 4.797 4.481 0.316 1
1 65 . 1 1 1 A 14 14 GLY C C 14 172.271 172.205 0.066 1
1 66 . 1 1 1 A 14 14 GLY HA2 H 14 3.615 4.401 -0.786 1
1 67 . 1 1 1 A 15 15 CYS N N 15 123.965 120.911 3.054 1
1 68 . 1 1 1 A 15 15 CYS H H 15 8.968 8.883 0.085 1
1 69 . 1 1 1 A 15 15 CYS CA C 15 58.757 57.884 0.873 1
1 70 . 1 1 1 A 15 15 CYS HA H 15 4.630 4.619 0.011 1
1 71 . 1 1 1 A 15 15 CYS CB C 15 30.011 26.781 3.230 1
1 73 . 1 1 1 A 15 15 CYS C C 15 176.914 174.889 2.025 1
1 75 . 1 1 1 A 16 16 ASN N N 16 129.827 125.484 4.343 1
1 76 . 1 1 1 A 16 16 ASN H H 16 9.362 7.731 1.631 1
1 77 . 1 1 1 A 16 16 ASN CA C 16 55.380 57.023 -1.643 1
1 78 . 1 1 1 A 16 16 ASN HA H 16 4.544 4.397 0.147 1
1 79 . 1 1 1 A 16 16 ASN CB C 16 38.240 38.394 -0.154 1
1 84 . 1 1 1 A 16 16 ASN C C 16 175.456 177.119 -1.663 1
1 86 . 1 1 1 A 17 17 GLU N N 17 121.083 117.674 3.409 1
1 87 . 1 1 1 A 17 17 GLU H H 17 8.748 8.359 0.389 1
1 88 . 1 1 1 A 17 17 GLU CA C 17 58.345 59.526 -1.181 1
1 89 . 1 1 1 A 17 17 GLU HA H 17 4.217 3.974 0.243 1
1 90 . 1 1 1 A 17 17 GLU CB C 17 29.773 28.964 0.809 1
1 94 . 1 1 1 A 17 17 GLU C C 17 176.975 177.914 -0.939 1
1 97 . 1 1 1 A 18 18 CYS N N 18 114.669 114.713 -0.044 1
1 98 . 1 1 1 A 18 18 CYS H H 18 7.878 8.208 -0.330 1
1 99 . 1 1 1 A 18 18 CYS CA C 18 58.313 59.478 -1.165 1
1 100 . 1 1 1 A 18 18 CYS HA H 18 5.146 4.637 0.509 1
1 101 . 1 1 1 A 18 18 CYS CB C 18 32.383 30.079 2.304 1
1 103 . 1 1 1 A 18 18 CYS C C 18 176.098 175.417 0.681 1
1 105 . 1 1 1 A 19 19 GLY N N 19 112.778 110.124 2.654 1
1 106 . 1 1 1 A 19 19 GLY H H 19 8.223 8.597 -0.374 1
1 107 . 1 1 1 A 19 19 GLY CA C 19 46.159 45.274 0.885 1
1 108 . 1 1 1 A 19 19 GLY HA3 H 19 4.206 4.048 0.158 1
1 109 . 1 1 1 A 19 19 GLY C C 19 174.359 174.012 0.347 1
1 110 . 1 1 1 A 19 19 GLY HA2 H 19 3.866 4.046 -0.180 1
1 111 . 1 1 1 A 20 20 LYS N N 20 122.671 119.156 3.515 1
1 112 . 1 1 1 A 20 20 LYS H H 20 7.991 7.901 0.090 1
1 113 . 1 1 1 A 20 20 LYS CA C 20 57.994 54.789 3.205 1
1 114 . 1 1 1 A 20 20 LYS HA H 20 4.072 4.619 -0.547 1
1 115 . 1 1 1 A 20 20 LYS CB C 20 34.147 34.383 -0.236 1
1 123 . 1 1 1 A 20 20 LYS C C 20 174.631 175.316 -0.685 1
1 128 . 1 1 1 A 21 21 THR N N 21 109.348 112.005 -2.657 1
1 129 . 1 1 1 A 21 21 THR H H 21 7.448 8.638 -1.190 1
1 130 . 1 1 1 A 21 21 THR CA C 21 59.261 59.283 -0.022 1
1 131 . 1 1 1 A 21 21 THR HA H 21 4.996 5.347 -0.351 1
1 132 . 1 1 1 A 21 21 THR CB C 21 71.388 72.021 -0.633 1
1 138 . 1 1 1 A 21 21 THR C C 21 173.342 173.209 0.133 1
1 139 . 1 1 1 A 22 22 PHE N N 22 116.768 118.143 -1.375 1
1 140 . 1 1 1 A 22 22 PHE H H 22 8.559 8.289 0.270 1
1 141 . 1 1 1 A 22 22 PHE CA C 22 57.038 56.800 0.238 1
1 142 . 1 1 1 A 22 22 PHE HA H 22 4.860 4.910 -0.050 1
1 143 . 1 1 1 A 22 22 PHE CB C 22 43.966 43.580 0.386 1
1 155 . 1 1 1 A 22 22 PHE C C 22 175.846 175.671 0.175 1
1 157 . 1 1 1 A 23 23 SER N N 23 115.194 118.013 -2.819 1
1 158 . 1 1 1 A 23 23 SER H H 23 9.413 9.018 0.395 1
1 159 . 1 1 1 A 23 23 SER CA C 23 60.308 60.950 -0.642 1
1 160 . 1 1 1 A 23 23 SER HA H 23 4.613 4.874 -0.261 1
1 161 . 1 1 1 A 23 23 SER CB C 23 64.352 63.691 0.661 1
1 163 . 1 1 1 A 23 23 SER C C 23 174.181 174.318 -0.137 1
1 165 . 1 1 1 A 24 24 GLN N N 24 115.115 115.145 -0.030 1
1 166 . 1 1 1 A 24 24 GLN H H 24 7.028 7.563 -0.535 1
1 167 . 1 1 1 A 24 24 GLN CA C 24 54.225 53.789 0.436 1
1 168 . 1 1 1 A 24 24 GLN HA H 24 4.827 4.381 0.446 1
1 169 . 1 1 1 A 24 24 GLN CB C 24 33.411 31.228 2.183 1
1 176 . 1 1 1 A 24 24 GLN C C 24 175.822 175.210 0.612 1
1 179 . 1 1 1 A 25 25 LYS N N 25 126.960 119.080 7.880 1
1 180 . 1 1 1 A 25 25 LYS H H 25 8.655 7.819 0.836 1
1 181 . 1 1 1 A 25 25 LYS CA C 25 59.663 58.654 1.009 1
1 182 . 1 1 1 A 25 25 LYS HA H 25 3.181 3.497 -0.316 1
1 183 . 1 1 1 A 25 25 LYS CB C 25 31.726 31.760 -0.034 1
1 191 . 1 1 1 A 25 25 LYS C C 25 178.371 178.205 0.166 1
1 196 . 1 1 1 A 26 26 SER CA C 26 60.933 61.292 -0.359 1
1 197 . 1 1 1 A 26 26 SER HA H 26 4.054 4.069 -0.015 1
1 198 . 1 1 1 A 26 26 SER CB C 26 61.498 62.946 -1.448 1
1 200 . 1 1 1 A 26 26 SER C C 26 176.882 176.682 0.200 1
1 202 . 1 1 1 A 27 27 ILE N N 27 123.952 121.343 2.609 1
1 203 . 1 1 1 A 27 27 ILE H H 27 6.655 7.129 -0.474 1
1 204 . 1 1 1 A 27 27 ILE CA C 27 63.774 63.848 -0.074 1
1 205 . 1 1 1 A 27 27 ILE HA H 27 3.765 3.753 0.012 1
1 206 . 1 1 1 A 27 27 ILE CB C 27 38.081 38.037 0.044 1
1 218 . 1 1 1 A 27 27 ILE C C 27 178.456 177.593 0.863 1
1 220 . 1 1 1 A 28 28 LEU N N 28 122.282 121.746 0.536 1
1 221 . 1 1 1 A 28 28 LEU H H 28 7.190 7.768 -0.578 1
1 222 . 1 1 1 A 28 28 LEU CA C 28 58.277 57.517 0.760 1
1 223 . 1 1 1 A 28 28 LEU HA H 28 3.322 2.691 0.631 1
1 224 . 1 1 1 A 28 28 LEU CB C 28 40.085 41.329 -1.244 1
1 236 . 1 1 1 A 28 28 LEU C C 28 178.134 178.060 0.074 1
1 238 . 1 1 1 A 29 29 SER N N 29 114.752 113.986 0.766 1
1 239 . 1 1 1 A 29 29 SER H H 29 8.638 8.459 0.179 1
1 240 . 1 1 1 A 29 29 SER CA C 29 61.900 61.628 0.272 1
1 241 . 1 1 1 A 29 29 SER HA H 29 4.264 4.003 0.261 1
1 242 . 1 1 1 A 29 29 SER CB C 29 62.385 62.949 -0.564 1
1 244 . 1 1 1 A 29 29 SER C C 29 176.967 177.115 -0.148 1
1 246 . 1 1 1 A 30 30 ALA N N 30 122.806 122.525 0.281 1
1 247 . 1 1 1 A 30 30 ALA H H 30 7.393 8.063 -0.670 1
1 248 . 1 1 1 A 30 30 ALA CA C 30 55.041 55.257 -0.216 1
1 249 . 1 1 1 A 30 30 ALA HA H 30 4.023 3.979 0.044 1
1 250 . 1 1 1 A 30 30 ALA CB C 30 17.887 18.307 -0.420 1
1 254 . 1 1 1 A 30 30 ALA C C 30 180.298 179.723 0.575 1
1 255 . 1 1 1 A 31 31 HIS N N 31 118.698 117.718 0.980 1
1 256 . 1 1 1 A 31 31 HIS H H 31 7.914 7.718 0.196 1
1 257 . 1 1 1 A 31 31 HIS CA C 31 59.052 59.818 -0.766 1
1 258 . 1 1 1 A 31 31 HIS HA H 31 4.208 4.159 0.049 1
1 259 . 1 1 1 A 31 31 HIS CB C 31 27.517 29.589 -2.072 1
1 265 . 1 1 1 A 31 31 HIS C C 31 178.351 177.085 1.266 1
1 267 . 1 1 1 A 32 32 GLN N N 32 120.686 118.959 1.727 1
1 268 . 1 1 1 A 32 32 GLN H H 32 8.890 7.713 1.177 1
1 269 . 1 1 1 A 32 32 GLN CA C 32 59.965 58.180 1.785 1
1 270 . 1 1 1 A 32 32 GLN HA H 32 3.709 4.278 -0.569 1
1 271 . 1 1 1 A 32 32 GLN CB C 32 28.290 28.164 0.126 1
1 278 . 1 1 1 A 32 32 GLN C C 32 178.061 178.939 -0.878 1
1 281 . 1 1 1 A 33 33 ARG N N 33 117.052 120.781 -3.729 1
1 282 . 1 1 1 A 33 33 ARG H H 33 7.224 7.946 -0.722 1
1 283 . 1 1 1 A 33 33 ARG CA C 33 58.375 59.379 -1.004 1
1 284 . 1 1 1 A 33 33 ARG HA H 33 4.174 4.059 0.115 1
1 285 . 1 1 1 A 33 33 ARG CB C 33 29.947 29.753 0.194 1
1 291 . 1 1 1 A 33 33 ARG C C 33 178.118 179.438 -1.320 1
1 295 . 1 1 1 A 34 34 THR N N 34 109.534 114.056 -4.522 1
1 296 . 1 1 1 A 34 34 THR H H 34 7.712 7.644 0.068 1
1 297 . 1 1 1 A 34 34 THR CA C 34 63.776 65.541 -1.765 1
1 298 . 1 1 1 A 34 34 THR HA H 34 4.151 3.921 0.230 1
1 299 . 1 1 1 A 34 34 THR CB C 34 69.225 68.366 0.859 1
1 305 . 1 1 1 A 34 34 THR C C 34 175.617 176.922 -1.305 1
1 306 . 1 1 1 A 35 35 HIS N N 35 118.842 118.072 0.770 1
1 307 . 1 1 1 A 35 35 HIS H H 35 7.161 7.551 -0.390 1
1 308 . 1 1 1 A 35 35 HIS CA C 35 55.580 59.336 -3.756 1
1 309 . 1 1 1 A 35 35 HIS HA H 35 4.870 4.340 0.530 1
1 310 . 1 1 1 A 35 35 HIS CB C 35 28.690 29.771 -1.081 1
1 316 . 1 1 1 A 35 35 HIS C C 35 175.646 175.754 -0.108 1
1 318 . 1 1 1 A 36 36 THR N N 36 112.395 111.336 1.059 1
1 319 . 1 1 1 A 36 36 THR H H 36 7.833 7.330 0.503 1
1 320 . 1 1 1 A 36 36 THR CA C 36 62.278 63.035 -0.757 1
1 321 . 1 1 1 A 36 36 THR HA H 36 4.358 4.089 0.269 1
1 322 . 1 1 1 A 36 36 THR CB C 36 69.765 68.751 1.014 1
1 328 . 1 1 1 A 36 36 THR C C 36 175.309 174.938 0.371 1
1 329 . 1 1 1 A 37 37 GLY N N 37 110.931 112.612 -1.681 1
1 330 . 1 1 1 A 37 37 GLY H H 37 8.319 8.888 -0.569 1
1 331 . 1 1 1 A 37 37 GLY CA C 37 45.329 46.810 -1.481 1
1 332 . 1 1 1 A 37 37 GLY HA3 H 37 3.949 3.886 0.063 1
1 333 . 1 1 1 A 37 37 GLY C C 37 174.050 174.846 -0.796 1
1 334 . 1 1 1 A 37 37 GLY HA2 H 37 4.011 3.883 0.128 1
1 335 . 1 1 1 A 38 38 GLU N N 38 120.677 120.609 0.068 1
1 336 . 1 1 1 A 38 38 GLU H H 38 8.142 7.984 0.158 1
1 337 . 1 1 1 A 38 38 GLU CA C 38 56.428 56.150 0.278 1
1 338 . 1 1 1 A 38 38 GLU HA H 38 4.236 4.401 -0.165 1
1 339 . 1 1 1 A 38 38 GLU CB C 38 30.536 30.100 0.436 1
1 343 . 1 1 1 A 38 38 GLU C C 38 176.283 175.905 0.378 1
1 346 . 1 1 1 A 39 39 LYS N N 39 123.903 126.959 -3.056 1
1 347 . 1 1 1 A 39 39 LYS H H 39 8.440 8.616 -0.176 1
1 348 . 1 1 1 A 39 39 LYS CA C 39 54.128 53.743 0.385 1
1 349 . 1 1 1 A 39 39 LYS HA H 39 4.602 4.619 -0.017 1
1 350 . 1 1 1 A 39 39 LYS CB C 39 32.498 31.933 0.565 1
1 357 . 1 1 1 A 39 39 LYS C C 39 174.462 174.950 -0.488 1
1 362 . 1 1 1 A 40 40 PRO CA C 40 63.208 62.390 0.818 1
1 363 . 1 1 1 A 40 40 PRO HA H 40 4.456 4.635 -0.179 1
1 364 . 1 1 1 A 40 40 PRO CB C 40 32.188 30.691 1.497 1
1 1 . 2 1 1 A 9 9 GLY CA C 9 45.275 47.583 -2.308 1
1 2 . 2 1 1 A 9 9 GLY HA3 H 9 3.928 3.825 0.103 1
1 3 . 2 1 1 A 9 9 GLY C C 9 174.122 175.825 -1.703 1
1 4 . 2 1 1 A 9 9 GLY HA2 H 9 3.928 3.815 0.113 1
1 5 . 2 1 1 A 10 10 GLU N N 10 120.285 120.280 0.005 1
1 6 . 2 1 1 A 10 10 GLU H H 10 8.221 7.929 0.292 1
1 7 . 2 1 1 A 10 10 GLU CA C 10 56.848 59.045 -2.197 1
1 8 . 2 1 1 A 10 10 GLU HA H 10 4.171 4.077 0.094 1
1 9 . 2 1 1 A 10 10 GLU CB C 10 30.334 29.734 0.600 1
1 13 . 2 1 1 A 10 10 GLU C C 10 176.429 176.854 -0.425 1
1 16 . 2 1 1 A 11 11 LYS N N 11 121.992 120.150 1.842 1
1 17 . 2 1 1 A 11 11 LYS H H 11 8.280 7.827 0.453 1
1 18 . 2 1 1 A 11 11 LYS CA C 11 53.934 53.878 0.056 1
1 19 . 2 1 1 A 11 11 LYS HA H 11 4.454 4.843 -0.389 1
1 20 . 2 1 1 A 11 11 LYS CB C 11 32.677 33.100 -0.423 1
1 28 . 2 1 1 A 11 11 LYS C C 11 174.147 174.819 -0.672 1
1 33 . 2 1 1 A 12 12 PRO CA C 12 63.503 64.050 -0.547 1
1 34 . 2 1 1 A 12 12 PRO HA H 12 4.262 4.413 -0.151 1
1 35 . 2 1 1 A 12 12 PRO CB C 12 32.320 31.337 0.983 1
1 41 . 2 1 1 A 12 12 PRO C C 12 176.429 175.656 0.773 1
1 45 . 2 1 1 A 13 13 TYR N N 13 118.187 119.340 -1.153 1
1 46 . 2 1 1 A 13 13 TYR H H 13 7.892 7.041 0.851 1
1 47 . 2 1 1 A 13 13 TYR CA C 13 57.274 56.504 0.770 1
1 48 . 2 1 1 A 13 13 TYR HA H 13 4.663 5.074 -0.411 1
1 49 . 2 1 1 A 13 13 TYR CB C 13 38.361 41.113 -2.752 1
1 59 . 2 1 1 A 13 13 TYR C C 13 175.189 175.470 -0.281 1
1 61 . 2 1 1 A 14 14 GLY N N 14 111.782 110.364 1.418 1
1 62 . 2 1 1 A 14 14 GLY H H 14 8.597 9.054 -0.457 1
1 63 . 2 1 1 A 14 14 GLY CA C 14 44.676 44.593 0.083 1
1 64 . 2 1 1 A 14 14 GLY HA3 H 14 4.797 4.469 0.328 1
1 65 . 2 1 1 A 14 14 GLY C C 14 172.271 172.388 -0.117 1
1 66 . 2 1 1 A 14 14 GLY HA2 H 14 3.615 4.420 -0.805 1
1 67 . 2 1 1 A 15 15 CYS N N 15 123.965 122.256 1.709 1
1 68 . 2 1 1 A 15 15 CYS H H 15 8.968 9.061 -0.093 1
1 69 . 2 1 1 A 15 15 CYS CA C 15 58.757 59.241 -0.484 1
1 70 . 2 1 1 A 15 15 CYS HA H 15 4.630 4.590 0.040 1
1 71 . 2 1 1 A 15 15 CYS CB C 15 30.011 27.598 2.413 1
1 73 . 2 1 1 A 15 15 CYS C C 15 176.914 175.474 1.440 1
1 75 . 2 1 1 A 16 16 ASN N N 16 129.827 125.424 4.403 1
1 76 . 2 1 1 A 16 16 ASN H H 16 9.362 8.578 0.784 1
1 77 . 2 1 1 A 16 16 ASN CA C 16 55.380 55.865 -0.485 1
1 78 . 2 1 1 A 16 16 ASN HA H 16 4.544 4.509 0.035 1
1 79 . 2 1 1 A 16 16 ASN CB C 16 38.240 38.146 0.094 1
1 84 . 2 1 1 A 16 16 ASN C C 16 175.456 177.541 -2.085 1
1 86 . 2 1 1 A 17 17 GLU N N 17 121.083 120.127 0.956 1
1 87 . 2 1 1 A 17 17 GLU H H 17 8.748 8.069 0.679 1
1 88 . 2 1 1 A 17 17 GLU CA C 17 58.345 58.766 -0.421 1
1 89 . 2 1 1 A 17 17 GLU HA H 17 4.217 3.965 0.252 1
1 90 . 2 1 1 A 17 17 GLU CB C 17 29.773 28.919 0.854 1
1 94 . 2 1 1 A 17 17 GLU C C 17 176.975 177.994 -1.019 1
1 97 . 2 1 1 A 18 18 CYS N N 18 114.669 114.955 -0.286 1
1 98 . 2 1 1 A 18 18 CYS H H 18 7.878 7.723 0.155 1
1 99 . 2 1 1 A 18 18 CYS CA C 18 58.313 59.670 -1.357 1
1 100 . 2 1 1 A 18 18 CYS HA H 18 5.146 4.587 0.559 1
1 101 . 2 1 1 A 18 18 CYS CB C 18 32.383 29.504 2.879 1
1 103 . 2 1 1 A 18 18 CYS C C 18 176.098 175.336 0.762 1
1 105 . 2 1 1 A 19 19 GLY N N 19 112.778 109.465 3.313 1
1 106 . 2 1 1 A 19 19 GLY H H 19 8.223 7.792 0.431 1
1 107 . 2 1 1 A 19 19 GLY CA C 19 46.159 45.425 0.734 1
1 108 . 2 1 1 A 19 19 GLY HA3 H 19 4.206 4.052 0.154 1
1 109 . 2 1 1 A 19 19 GLY C C 19 174.359 174.757 -0.398 1
1 110 . 2 1 1 A 19 19 GLY HA2 H 19 3.866 4.048 -0.182 1
1 111 . 2 1 1 A 20 20 LYS N N 20 122.671 121.357 1.314 1
1 112 . 2 1 1 A 20 20 LYS H H 20 7.991 7.493 0.498 1
1 113 . 2 1 1 A 20 20 LYS CA C 20 57.994 57.374 0.620 1
1 114 . 2 1 1 A 20 20 LYS HA H 20 4.072 4.119 -0.047 1
1 115 . 2 1 1 A 20 20 LYS CB C 20 34.147 32.945 1.202 1
1 123 . 2 1 1 A 20 20 LYS C C 20 174.631 176.125 -1.494 1
1 128 . 2 1 1 A 21 21 THR N N 21 109.348 115.513 -6.165 1
1 129 . 2 1 1 A 21 21 THR H H 21 7.448 8.373 -0.925 1
1 130 . 2 1 1 A 21 21 THR CA C 21 59.261 59.768 -0.507 1
1 131 . 2 1 1 A 21 21 THR HA H 21 4.996 5.371 -0.375 1
1 132 . 2 1 1 A 21 21 THR CB C 21 71.388 71.337 0.051 1
1 138 . 2 1 1 A 21 21 THR C C 21 173.342 173.591 -0.249 1
1 139 . 2 1 1 A 22 22 PHE N N 22 116.768 118.045 -1.277 1
1 140 . 2 1 1 A 22 22 PHE H H 22 8.559 8.680 -0.121 1
1 141 . 2 1 1 A 22 22 PHE CA C 22 57.038 56.768 0.270 1
1 142 . 2 1 1 A 22 22 PHE HA H 22 4.860 4.913 -0.053 1
1 143 . 2 1 1 A 22 22 PHE CB C 22 43.966 43.222 0.744 1
1 155 . 2 1 1 A 22 22 PHE C C 22 175.846 176.178 -0.332 1
1 157 . 2 1 1 A 23 23 SER N N 23 115.194 116.097 -0.903 1
1 158 . 2 1 1 A 23 23 SER H H 23 9.413 8.839 0.574 1
1 159 . 2 1 1 A 23 23 SER CA C 23 60.308 61.467 -1.159 1
1 160 . 2 1 1 A 23 23 SER HA H 23 4.613 4.657 -0.044 1
1 161 . 2 1 1 A 23 23 SER CB C 23 64.352 63.206 1.146 1
1 163 . 2 1 1 A 23 23 SER C C 23 174.181 174.697 -0.516 1
1 165 . 2 1 1 A 24 24 GLN N N 24 115.115 117.342 -2.227 1
1 166 . 2 1 1 A 24 24 GLN H H 24 7.028 7.586 -0.558 1
1 167 . 2 1 1 A 24 24 GLN CA C 24 54.225 53.627 0.598 1
1 168 . 2 1 1 A 24 24 GLN HA H 24 4.827 4.496 0.331 1
1 169 . 2 1 1 A 24 24 GLN CB C 24 33.411 31.268 2.143 1
1 176 . 2 1 1 A 24 24 GLN C C 24 175.822 175.582 0.240 1
1 179 . 2 1 1 A 25 25 LYS N N 25 126.960 119.917 7.043 1
1 180 . 2 1 1 A 25 25 LYS H H 25 8.655 8.098 0.557 1
1 181 . 2 1 1 A 25 25 LYS CA C 25 59.663 58.907 0.756 1
1 182 . 2 1 1 A 25 25 LYS HA H 25 3.181 3.402 -0.221 1
1 183 . 2 1 1 A 25 25 LYS CB C 25 31.726 31.941 -0.215 1
1 191 . 2 1 1 A 25 25 LYS C C 25 178.371 177.693 0.678 1
1 196 . 2 1 1 A 26 26 SER CA C 26 60.933 61.278 -0.345 1
1 197 . 2 1 1 A 26 26 SER HA H 26 4.054 4.093 -0.039 1
1 198 . 2 1 1 A 26 26 SER CB C 26 61.498 62.981 -1.483 1
1 200 . 2 1 1 A 26 26 SER C C 26 176.882 176.683 0.199 1
1 202 . 2 1 1 A 27 27 ILE N N 27 123.952 121.397 2.555 1
1 203 . 2 1 1 A 27 27 ILE H H 27 6.655 7.433 -0.778 1
1 204 . 2 1 1 A 27 27 ILE CA C 27 63.774 64.200 -0.426 1
1 205 . 2 1 1 A 27 27 ILE HA H 27 3.765 3.699 0.066 1
1 206 . 2 1 1 A 27 27 ILE CB C 27 38.081 37.863 0.218 1
1 218 . 2 1 1 A 27 27 ILE C C 27 178.456 177.375 1.081 1
1 220 . 2 1 1 A 28 28 LEU N N 28 122.282 121.346 0.936 1
1 221 . 2 1 1 A 28 28 LEU H H 28 7.190 7.360 -0.170 1
1 222 . 2 1 1 A 28 28 LEU CA C 28 58.277 57.718 0.559 1
1 223 . 2 1 1 A 28 28 LEU HA H 28 3.322 2.845 0.477 1
1 224 . 2 1 1 A 28 28 LEU CB C 28 40.085 41.118 -1.033 1
1 236 . 2 1 1 A 28 28 LEU C C 28 178.134 178.162 -0.028 1
1 238 . 2 1 1 A 29 29 SER N N 29 114.752 115.259 -0.507 1
1 239 . 2 1 1 A 29 29 SER H H 29 8.638 8.290 0.348 1
1 240 . 2 1 1 A 29 29 SER CA C 29 61.900 61.915 -0.015 1
1 241 . 2 1 1 A 29 29 SER HA H 29 4.264 4.003 0.261 1
1 242 . 2 1 1 A 29 29 SER CB C 29 62.385 62.352 0.033 1
1 244 . 2 1 1 A 29 29 SER C C 29 176.967 176.790 0.177 1
1 246 . 2 1 1 A 30 30 ALA N N 30 122.806 123.601 -0.795 1
1 247 . 2 1 1 A 30 30 ALA H H 30 7.393 7.849 -0.456 1
1 248 . 2 1 1 A 30 30 ALA CA C 30 55.041 55.267 -0.226 1
1 249 . 2 1 1 A 30 30 ALA HA H 30 4.023 4.009 0.014 1
1 250 . 2 1 1 A 30 30 ALA CB C 30 17.887 18.184 -0.297 1
1 254 . 2 1 1 A 30 30 ALA C C 30 180.298 179.736 0.562 1
1 255 . 2 1 1 A 31 31 HIS N N 31 118.698 117.559 1.139 1
1 256 . 2 1 1 A 31 31 HIS H H 31 7.914 7.623 0.291 1
1 257 . 2 1 1 A 31 31 HIS CA C 31 59.052 58.891 0.161 1
1 258 . 2 1 1 A 31 31 HIS HA H 31 4.208 4.136 0.072 1
1 259 . 2 1 1 A 31 31 HIS CB C 31 27.517 29.848 -2.331 1
1 265 . 2 1 1 A 31 31 HIS C C 31 178.351 176.780 1.571 1
1 267 . 2 1 1 A 32 32 GLN N N 32 120.686 118.373 2.313 1
1 268 . 2 1 1 A 32 32 GLN H H 32 8.890 7.695 1.195 1
1 269 . 2 1 1 A 32 32 GLN CA C 32 59.965 57.697 2.268 1
1 270 . 2 1 1 A 32 32 GLN HA H 32 3.709 4.209 -0.500 1
1 271 . 2 1 1 A 32 32 GLN CB C 32 28.290 28.710 -0.420 1
1 278 . 2 1 1 A 32 32 GLN C C 32 178.061 178.409 -0.348 1
1 281 . 2 1 1 A 33 33 ARG N N 33 117.052 119.918 -2.866 1
1 282 . 2 1 1 A 33 33 ARG H H 33 7.224 7.732 -0.508 1
1 283 . 2 1 1 A 33 33 ARG CA C 33 58.375 58.935 -0.560 1
1 284 . 2 1 1 A 33 33 ARG HA H 33 4.174 4.112 0.062 1
1 285 . 2 1 1 A 33 33 ARG CB C 33 29.947 30.184 -0.237 1
1 291 . 2 1 1 A 33 33 ARG C C 33 178.118 177.160 0.958 1
1 295 . 2 1 1 A 34 34 THR N N 34 109.534 114.953 -5.419 1
1 296 . 2 1 1 A 34 34 THR H H 34 7.712 7.758 -0.046 1
1 297 . 2 1 1 A 34 34 THR CA C 34 63.776 62.358 1.418 1
1 298 . 2 1 1 A 34 34 THR HA H 34 4.151 4.260 -0.109 1
1 299 . 2 1 1 A 34 34 THR CB C 34 69.225 68.772 0.453 1
1 305 . 2 1 1 A 34 34 THR C C 34 175.617 175.063 0.554 1
1 306 . 2 1 1 A 35 35 HIS N N 35 118.842 120.036 -1.194 1
1 307 . 2 1 1 A 35 35 HIS H H 35 7.161 7.865 -0.704 1
1 308 . 2 1 1 A 35 35 HIS CA C 35 55.580 57.184 -1.604 1
1 309 . 2 1 1 A 35 35 HIS HA H 35 4.870 4.573 0.297 1
1 310 . 2 1 1 A 35 35 HIS CB C 35 28.690 31.127 -2.437 1
1 316 . 2 1 1 A 35 35 HIS C C 35 175.646 175.716 -0.070 1
1 318 . 2 1 1 A 36 36 THR N N 36 112.395 112.220 0.175 1
1 319 . 2 1 1 A 36 36 THR H H 36 7.833 7.894 -0.061 1
1 320 . 2 1 1 A 36 36 THR CA C 36 62.278 62.059 0.219 1
1 321 . 2 1 1 A 36 36 THR HA H 36 4.358 4.386 -0.028 1
1 322 . 2 1 1 A 36 36 THR CB C 36 69.765 68.543 1.222 1
1 328 . 2 1 1 A 36 36 THR C C 36 175.309 175.649 -0.340 1
1 329 . 2 1 1 A 37 37 GLY N N 37 110.931 110.887 0.044 1
1 330 . 2 1 1 A 37 37 GLY H H 37 8.319 7.817 0.502 1
1 331 . 2 1 1 A 37 37 GLY CA C 37 45.329 45.748 -0.419 1
1 332 . 2 1 1 A 37 37 GLY HA3 H 37 3.949 4.050 -0.101 1
1 333 . 2 1 1 A 37 37 GLY C C 37 174.050 174.240 -0.190 1
1 334 . 2 1 1 A 37 37 GLY HA2 H 37 4.011 4.041 -0.030 1
1 335 . 2 1 1 A 38 38 GLU N N 38 120.677 121.611 -0.934 1
1 336 . 2 1 1 A 38 38 GLU H H 38 8.142 7.727 0.415 1
1 337 . 2 1 1 A 38 38 GLU CA C 38 56.428 56.547 -0.119 1
1 338 . 2 1 1 A 38 38 GLU HA H 38 4.236 4.179 0.057 1
1 339 . 2 1 1 A 38 38 GLU CB C 38 30.536 30.741 -0.205 1
1 343 . 2 1 1 A 38 38 GLU C C 38 176.283 176.439 -0.156 1
1 346 . 2 1 1 A 39 39 LYS N N 39 123.903 122.912 0.991 1
1 347 . 2 1 1 A 39 39 LYS H H 39 8.440 8.457 -0.017 1
1 348 . 2 1 1 A 39 39 LYS CA C 39 54.128 55.361 -1.233 1
1 349 . 2 1 1 A 39 39 LYS HA H 39 4.602 4.189 0.413 1
1 350 . 2 1 1 A 39 39 LYS CB C 39 32.498 31.788 0.710 1
1 357 . 2 1 1 A 39 39 LYS C C 39 174.462 174.966 -0.504 1
1 362 . 2 1 1 A 40 40 PRO CA C 40 63.208 62.873 0.335 1
1 363 . 2 1 1 A 40 40 PRO HA H 40 4.456 4.577 -0.121 1
1 364 . 2 1 1 A 40 40 PRO CB C 40 32.188 32.136 0.052 1
1 1 . 3 1 1 A 9 9 GLY CA C 9 45.275 45.847 -0.572 1
1 2 . 3 1 1 A 9 9 GLY HA3 H 9 3.928 4.063 -0.135 1
1 3 . 3 1 1 A 9 9 GLY C C 9 174.122 172.271 1.851 1
1 4 . 3 1 1 A 9 9 GLY HA2 H 9 3.928 4.042 -0.114 1
1 5 . 3 1 1 A 10 10 GLU N N 10 120.285 121.725 -1.440 1
1 6 . 3 1 1 A 10 10 GLU H H 10 8.221 8.381 -0.160 1
1 7 . 3 1 1 A 10 10 GLU CA C 10 56.848 54.928 1.920 1
1 8 . 3 1 1 A 10 10 GLU HA H 10 4.171 4.846 -0.675 1
1 9 . 3 1 1 A 10 10 GLU CB C 10 30.334 29.804 0.530 1
1 13 . 3 1 1 A 10 10 GLU C C 10 176.429 175.957 0.472 1
1 16 . 3 1 1 A 11 11 LYS N N 11 121.992 116.981 5.011 1
1 17 . 3 1 1 A 11 11 LYS H H 11 8.280 8.658 -0.378 1
1 18 . 3 1 1 A 11 11 LYS CA C 11 53.934 56.785 -2.851 1
1 19 . 3 1 1 A 11 11 LYS HA H 11 4.454 4.102 0.352 1
1 20 . 3 1 1 A 11 11 LYS CB C 11 32.677 30.192 2.485 1
1 28 . 3 1 1 A 11 11 LYS C C 11 174.147 176.409 -2.262 1
1 33 . 3 1 1 A 12 12 PRO CA C 12 63.503 64.878 -1.375 1
1 34 . 3 1 1 A 12 12 PRO HA H 12 4.262 4.528 -0.266 1
1 35 . 3 1 1 A 12 12 PRO CB C 12 32.320 31.651 0.669 1
1 41 . 3 1 1 A 12 12 PRO C C 12 176.429 175.910 0.519 1
1 45 . 3 1 1 A 13 13 TYR N N 13 118.187 118.974 -0.787 1
1 46 . 3 1 1 A 13 13 TYR H H 13 7.892 7.816 0.076 1
1 47 . 3 1 1 A 13 13 TYR CA C 13 57.274 57.139 0.135 1
1 48 . 3 1 1 A 13 13 TYR HA H 13 4.663 4.781 -0.118 1
1 49 . 3 1 1 A 13 13 TYR CB C 13 38.361 40.253 -1.892 1
1 59 . 3 1 1 A 13 13 TYR C C 13 175.189 176.357 -1.168 1
1 61 . 3 1 1 A 14 14 GLY N N 14 111.782 110.166 1.616 1
1 62 . 3 1 1 A 14 14 GLY H H 14 8.597 8.961 -0.364 1
1 63 . 3 1 1 A 14 14 GLY CA C 14 44.676 45.209 -0.533 1
1 64 . 3 1 1 A 14 14 GLY HA3 H 14 4.797 4.351 0.446 1
1 65 . 3 1 1 A 14 14 GLY C C 14 172.271 173.837 -1.566 1
1 66 . 3 1 1 A 14 14 GLY HA2 H 14 3.615 4.302 -0.687 1
1 67 . 3 1 1 A 15 15 CYS N N 15 123.965 125.144 -1.179 1
1 68 . 3 1 1 A 15 15 CYS H H 15 8.968 8.936 0.032 1
1 69 . 3 1 1 A 15 15 CYS CA C 15 58.757 59.969 -1.212 1
1 70 . 3 1 1 A 15 15 CYS HA H 15 4.630 4.394 0.236 1
1 71 . 3 1 1 A 15 15 CYS CB C 15 30.011 28.485 1.526 1
1 73 . 3 1 1 A 15 15 CYS C C 15 176.914 175.496 1.418 1
1 75 . 3 1 1 A 16 16 ASN N N 16 129.827 125.875 3.952 1
1 76 . 3 1 1 A 16 16 ASN H H 16 9.362 8.822 0.540 1
1 77 . 3 1 1 A 16 16 ASN CA C 16 55.380 52.995 2.385 1
1 78 . 3 1 1 A 16 16 ASN HA H 16 4.544 4.947 -0.403 1
1 79 . 3 1 1 A 16 16 ASN CB C 16 38.240 38.806 -0.566 1
1 84 . 3 1 1 A 16 16 ASN C C 16 175.456 175.652 -0.196 1
1 86 . 3 1 1 A 17 17 GLU N N 17 121.083 118.266 2.817 1
1 87 . 3 1 1 A 17 17 GLU H H 17 8.748 7.856 0.892 1
1 88 . 3 1 1 A 17 17 GLU CA C 17 58.345 57.283 1.062 1
1 89 . 3 1 1 A 17 17 GLU HA H 17 4.217 4.481 -0.264 1
1 90 . 3 1 1 A 17 17 GLU CB C 17 29.773 31.838 -2.065 1
1 94 . 3 1 1 A 17 17 GLU C C 17 176.975 177.744 -0.769 1
1 97 . 3 1 1 A 18 18 CYS N N 18 114.669 114.741 -0.072 1
1 98 . 3 1 1 A 18 18 CYS H H 18 7.878 7.970 -0.092 1
1 99 . 3 1 1 A 18 18 CYS CA C 18 58.313 59.422 -1.109 1
1 100 . 3 1 1 A 18 18 CYS HA H 18 5.146 4.692 0.454 1
1 101 . 3 1 1 A 18 18 CYS CB C 18 32.383 30.156 2.227 1
1 103 . 3 1 1 A 18 18 CYS C C 18 176.098 175.409 0.689 1
1 105 . 3 1 1 A 19 19 GLY N N 19 112.778 110.280 2.498 1
1 106 . 3 1 1 A 19 19 GLY H H 19 8.223 8.165 0.058 1
1 107 . 3 1 1 A 19 19 GLY CA C 19 46.159 45.175 0.984 1
1 108 . 3 1 1 A 19 19 GLY HA3 H 19 4.206 4.062 0.144 1
1 109 . 3 1 1 A 19 19 GLY C C 19 174.359 173.980 0.379 1
1 110 . 3 1 1 A 19 19 GLY HA2 H 19 3.866 4.058 -0.192 1
1 111 . 3 1 1 A 20 20 LYS N N 20 122.671 119.374 3.297 1
1 112 . 3 1 1 A 20 20 LYS H H 20 7.991 7.429 0.562 1
1 113 . 3 1 1 A 20 20 LYS CA C 20 57.994 54.077 3.917 1
1 114 . 3 1 1 A 20 20 LYS HA H 20 4.072 4.583 -0.511 1
1 115 . 3 1 1 A 20 20 LYS CB C 20 34.147 33.948 0.199 1
1 123 . 3 1 1 A 20 20 LYS C C 20 174.631 175.798 -1.167 1
1 128 . 3 1 1 A 21 21 THR N N 21 109.348 111.840 -2.492 1
1 129 . 3 1 1 A 21 21 THR H H 21 7.448 8.635 -1.187 1
1 130 . 3 1 1 A 21 21 THR CA C 21 59.261 59.145 0.116 1
1 131 . 3 1 1 A 21 21 THR HA H 21 4.996 5.562 -0.566 1
1 132 . 3 1 1 A 21 21 THR CB C 21 71.388 71.987 -0.599 1
1 138 . 3 1 1 A 21 21 THR C C 21 173.342 173.236 0.106 1
1 139 . 3 1 1 A 22 22 PHE N N 22 116.768 118.589 -1.821 1
1 140 . 3 1 1 A 22 22 PHE H H 22 8.559 8.700 -0.141 1
1 141 . 3 1 1 A 22 22 PHE CA C 22 57.038 56.497 0.541 1
1 142 . 3 1 1 A 22 22 PHE HA H 22 4.860 4.889 -0.029 1
1 143 . 3 1 1 A 22 22 PHE CB C 22 43.966 42.649 1.317 1
1 155 . 3 1 1 A 22 22 PHE C C 22 175.846 175.759 0.087 1
1 157 . 3 1 1 A 23 23 SER N N 23 115.194 119.464 -4.270 1
1 158 . 3 1 1 A 23 23 SER H H 23 9.413 8.910 0.503 1
1 159 . 3 1 1 A 23 23 SER CA C 23 60.308 61.681 -1.373 1
1 160 . 3 1 1 A 23 23 SER HA H 23 4.613 4.298 0.315 1
1 161 . 3 1 1 A 23 23 SER CB C 23 64.352 63.121 1.231 1
1 163 . 3 1 1 A 23 23 SER C C 23 174.181 174.006 0.175 1
1 165 . 3 1 1 A 24 24 GLN N N 24 115.115 115.381 -0.266 1
1 166 . 3 1 1 A 24 24 GLN H H 24 7.028 7.674 -0.646 1
1 167 . 3 1 1 A 24 24 GLN CA C 24 54.225 53.862 0.363 1
1 168 . 3 1 1 A 24 24 GLN HA H 24 4.827 4.714 0.113 1
1 169 . 3 1 1 A 24 24 GLN CB C 24 33.411 31.067 2.344 1
1 176 . 3 1 1 A 24 24 GLN C C 24 175.822 176.018 -0.196 1
1 179 . 3 1 1 A 25 25 LYS N N 25 126.960 121.214 5.746 1
1 180 . 3 1 1 A 25 25 LYS H H 25 8.655 8.505 0.150 1
1 181 . 3 1 1 A 25 25 LYS CA C 25 59.663 59.183 0.480 1
1 182 . 3 1 1 A 25 25 LYS HA H 25 3.181 3.211 -0.030 1
1 183 . 3 1 1 A 25 25 LYS CB C 25 31.726 31.817 -0.091 1
1 191 . 3 1 1 A 25 25 LYS C C 25 178.371 177.962 0.409 1
1 196 . 3 1 1 A 26 26 SER CA C 26 60.933 61.805 -0.872 1
1 197 . 3 1 1 A 26 26 SER HA H 26 4.054 4.126 -0.072 1
1 198 . 3 1 1 A 26 26 SER CB C 26 61.498 62.978 -1.480 1
1 200 . 3 1 1 A 26 26 SER C C 26 176.882 177.206 -0.324 1
1 202 . 3 1 1 A 27 27 ILE N N 27 123.952 122.419 1.533 1
1 203 . 3 1 1 A 27 27 ILE H H 27 6.655 7.594 -0.939 1
1 204 . 3 1 1 A 27 27 ILE CA C 27 63.774 64.397 -0.623 1
1 205 . 3 1 1 A 27 27 ILE HA H 27 3.765 3.696 0.069 1
1 206 . 3 1 1 A 27 27 ILE CB C 27 38.081 37.725 0.356 1
1 218 . 3 1 1 A 27 27 ILE C C 27 178.456 177.646 0.810 1
1 220 . 3 1 1 A 28 28 LEU N N 28 122.282 121.488 0.794 1
1 221 . 3 1 1 A 28 28 LEU H H 28 7.190 7.358 -0.168 1
1 222 . 3 1 1 A 28 28 LEU CA C 28 58.277 57.664 0.613 1
1 223 . 3 1 1 A 28 28 LEU HA H 28 3.322 2.483 0.839 1
1 224 . 3 1 1 A 28 28 LEU CB C 28 40.085 41.083 -0.998 1
1 236 . 3 1 1 A 28 28 LEU C C 28 178.134 178.190 -0.056 1
1 238 . 3 1 1 A 29 29 SER N N 29 114.752 114.022 0.730 1
1 239 . 3 1 1 A 29 29 SER H H 29 8.638 8.357 0.281 1
1 240 . 3 1 1 A 29 29 SER CA C 29 61.900 61.659 0.241 1
1 241 . 3 1 1 A 29 29 SER HA H 29 4.264 3.995 0.269 1
1 242 . 3 1 1 A 29 29 SER CB C 29 62.385 62.906 -0.521 1
1 244 . 3 1 1 A 29 29 SER C C 29 176.967 177.089 -0.122 1
1 246 . 3 1 1 A 30 30 ALA N N 30 122.806 122.521 0.285 1
1 247 . 3 1 1 A 30 30 ALA H H 30 7.393 8.103 -0.710 1
1 248 . 3 1 1 A 30 30 ALA CA C 30 55.041 55.330 -0.289 1
1 249 . 3 1 1 A 30 30 ALA HA H 30 4.023 4.021 0.002 1
1 250 . 3 1 1 A 30 30 ALA CB C 30 17.887 18.078 -0.191 1
1 254 . 3 1 1 A 30 30 ALA C C 30 180.298 179.620 0.678 1
1 255 . 3 1 1 A 31 31 HIS N N 31 118.698 117.872 0.826 1
1 256 . 3 1 1 A 31 31 HIS H H 31 7.914 7.626 0.288 1
1 257 . 3 1 1 A 31 31 HIS CA C 31 59.052 59.212 -0.160 1
1 258 . 3 1 1 A 31 31 HIS HA H 31 4.208 4.206 0.002 1
1 259 . 3 1 1 A 31 31 HIS CB C 31 27.517 29.670 -2.153 1
1 265 . 3 1 1 A 31 31 HIS C C 31 178.351 177.106 1.245 1
1 267 . 3 1 1 A 32 32 GLN N N 32 120.686 118.842 1.844 1
1 268 . 3 1 1 A 32 32 GLN H H 32 8.890 7.748 1.142 1
1 269 . 3 1 1 A 32 32 GLN CA C 32 59.965 58.208 1.757 1
1 270 . 3 1 1 A 32 32 GLN HA H 32 3.709 4.121 -0.412 1
1 271 . 3 1 1 A 32 32 GLN CB C 32 28.290 28.117 0.173 1
1 278 . 3 1 1 A 32 32 GLN C C 32 178.061 178.806 -0.745 1
1 281 . 3 1 1 A 33 33 ARG N N 33 117.052 120.363 -3.311 1
1 282 . 3 1 1 A 33 33 ARG H H 33 7.224 7.500 -0.276 1
1 283 . 3 1 1 A 33 33 ARG CA C 33 58.375 59.257 -0.882 1
1 284 . 3 1 1 A 33 33 ARG HA H 33 4.174 4.092 0.082 1
1 285 . 3 1 1 A 33 33 ARG CB C 33 29.947 30.119 -0.172 1
1 291 . 3 1 1 A 33 33 ARG C C 33 178.118 177.340 0.778 1
1 295 . 3 1 1 A 34 34 THR N N 34 109.534 114.097 -4.563 1
1 296 . 3 1 1 A 34 34 THR H H 34 7.712 7.607 0.105 1
1 297 . 3 1 1 A 34 34 THR CA C 34 63.776 62.278 1.498 1
1 298 . 3 1 1 A 34 34 THR HA H 34 4.151 4.283 -0.132 1
1 299 . 3 1 1 A 34 34 THR CB C 34 69.225 68.762 0.463 1
1 305 . 3 1 1 A 34 34 THR C C 34 175.617 174.877 0.740 1
1 306 . 3 1 1 A 35 35 HIS N N 35 118.842 120.963 -2.121 1
1 307 . 3 1 1 A 35 35 HIS H H 35 7.161 8.081 -0.920 1
1 308 . 3 1 1 A 35 35 HIS CA C 35 55.580 54.977 0.603 1
1 309 . 3 1 1 A 35 35 HIS HA H 35 4.870 4.923 -0.053 1
1 310 . 3 1 1 A 35 35 HIS CB C 35 28.690 29.191 -0.501 1
1 316 . 3 1 1 A 35 35 HIS C C 35 175.646 175.276 0.370 1
1 318 . 3 1 1 A 36 36 THR N N 36 112.395 110.784 1.611 1
1 319 . 3 1 1 A 36 36 THR H H 36 7.833 7.842 -0.009 1
1 320 . 3 1 1 A 36 36 THR CA C 36 62.278 62.107 0.171 1
1 321 . 3 1 1 A 36 36 THR HA H 36 4.358 4.508 -0.150 1
1 322 . 3 1 1 A 36 36 THR CB C 36 69.765 71.246 -1.481 1
1 328 . 3 1 1 A 36 36 THR C C 36 175.309 175.006 0.303 1
1 329 . 3 1 1 A 37 37 GLY N N 37 110.931 111.753 -0.822 1
1 330 . 3 1 1 A 37 37 GLY H H 37 8.319 7.989 0.330 1
1 331 . 3 1 1 A 37 37 GLY CA C 37 45.329 46.585 -1.256 1
1 332 . 3 1 1 A 37 37 GLY HA3 H 37 3.949 3.879 0.070 1
1 333 . 3 1 1 A 37 37 GLY C C 37 174.050 173.406 0.644 1
1 334 . 3 1 1 A 37 37 GLY HA2 H 37 4.011 3.868 0.143 1
1 335 . 3 1 1 A 38 38 GLU N N 38 120.677 117.704 2.973 1
1 336 . 3 1 1 A 38 38 GLU H H 38 8.142 8.303 -0.161 1
1 337 . 3 1 1 A 38 38 GLU CA C 38 56.428 54.843 1.585 1
1 338 . 3 1 1 A 38 38 GLU HA H 38 4.236 4.976 -0.740 1
1 339 . 3 1 1 A 38 38 GLU CB C 38 30.536 32.952 -2.416 1
1 343 . 3 1 1 A 38 38 GLU C C 38 176.283 174.604 1.679 1
1 346 . 3 1 1 A 39 39 LYS N N 39 123.903 122.126 1.777 1
1 347 . 3 1 1 A 39 39 LYS H H 39 8.440 8.753 -0.313 1
1 348 . 3 1 1 A 39 39 LYS CA C 39 54.128 53.502 0.626 1
1 349 . 3 1 1 A 39 39 LYS HA H 39 4.602 4.678 -0.076 1
1 350 . 3 1 1 A 39 39 LYS CB C 39 32.498 32.385 0.113 1
1 357 . 3 1 1 A 39 39 LYS C C 39 174.462 176.529 -2.067 1
1 362 . 3 1 1 A 40 40 PRO CA C 40 63.208 64.799 -1.591 1
1 363 . 3 1 1 A 40 40 PRO HA H 40 4.456 4.465 -0.009 1
1 364 . 3 1 1 A 40 40 PRO CB C 40 32.188 32.159 0.029 1
1 1 . 4 1 1 A 9 9 GLY CA C 9 45.275 44.697 0.578 1
1 2 . 4 1 1 A 9 9 GLY HA3 H 9 3.928 4.110 -0.182 1
1 3 . 4 1 1 A 9 9 GLY C C 9 174.122 172.041 2.081 1
1 4 . 4 1 1 A 9 9 GLY HA2 H 9 3.928 4.099 -0.171 1
1 5 . 4 1 1 A 10 10 GLU N N 10 120.285 121.479 -1.194 1
1 6 . 4 1 1 A 10 10 GLU H H 10 8.221 8.480 -0.259 1
1 7 . 4 1 1 A 10 10 GLU CA C 10 56.848 55.193 1.655 1
1 8 . 4 1 1 A 10 10 GLU HA H 10 4.171 4.656 -0.485 1
1 9 . 4 1 1 A 10 10 GLU CB C 10 30.334 31.348 -1.014 1
1 13 . 4 1 1 A 10 10 GLU C C 10 176.429 175.906 0.523 1
1 16 . 4 1 1 A 11 11 LYS N N 11 121.992 125.497 -3.505 1
1 17 . 4 1 1 A 11 11 LYS H H 11 8.280 8.948 -0.668 1
1 18 . 4 1 1 A 11 11 LYS CA C 11 53.934 56.925 -2.991 1
1 19 . 4 1 1 A 11 11 LYS HA H 11 4.454 4.110 0.344 1
1 20 . 4 1 1 A 11 11 LYS CB C 11 32.677 30.455 2.222 1
1 28 . 4 1 1 A 11 11 LYS C C 11 174.147 176.807 -2.660 1
1 33 . 4 1 1 A 12 12 PRO CA C 12 63.503 64.238 -0.735 1
1 34 . 4 1 1 A 12 12 PRO HA H 12 4.262 4.418 -0.156 1
1 35 . 4 1 1 A 12 12 PRO CB C 12 32.320 31.548 0.772 1
1 41 . 4 1 1 A 12 12 PRO C C 12 176.429 175.672 0.757 1
1 45 . 4 1 1 A 13 13 TYR N N 13 118.187 119.268 -1.081 1
1 46 . 4 1 1 A 13 13 TYR H H 13 7.892 7.588 0.304 1
1 47 . 4 1 1 A 13 13 TYR CA C 13 57.274 56.213 1.061 1
1 48 . 4 1 1 A 13 13 TYR HA H 13 4.663 5.054 -0.391 1
1 49 . 4 1 1 A 13 13 TYR CB C 13 38.361 41.334 -2.973 1
1 59 . 4 1 1 A 13 13 TYR C C 13 175.189 175.695 -0.506 1
1 61 . 4 1 1 A 14 14 GLY N N 14 111.782 108.961 2.821 1
1 62 . 4 1 1 A 14 14 GLY H H 14 8.597 8.964 -0.367 1
1 63 . 4 1 1 A 14 14 GLY CA C 14 44.676 45.173 -0.497 1
1 64 . 4 1 1 A 14 14 GLY HA3 H 14 4.797 4.485 0.312 1
1 65 . 4 1 1 A 14 14 GLY C C 14 172.271 172.540 -0.269 1
1 66 . 4 1 1 A 14 14 GLY HA2 H 14 3.615 4.434 -0.819 1
1 67 . 4 1 1 A 15 15 CYS N N 15 123.965 122.577 1.388 1
1 68 . 4 1 1 A 15 15 CYS H H 15 8.968 9.112 -0.144 1
1 69 . 4 1 1 A 15 15 CYS CA C 15 58.757 58.843 -0.086 1
1 70 . 4 1 1 A 15 15 CYS HA H 15 4.630 4.622 0.008 1
1 71 . 4 1 1 A 15 15 CYS CB C 15 30.011 27.504 2.507 1
1 73 . 4 1 1 A 15 15 CYS C C 15 176.914 175.354 1.560 1
1 75 . 4 1 1 A 16 16 ASN N N 16 129.827 124.996 4.831 1
1 76 . 4 1 1 A 16 16 ASN H H 16 9.362 8.496 0.866 1
1 77 . 4 1 1 A 16 16 ASN CA C 16 55.380 55.973 -0.593 1
1 78 . 4 1 1 A 16 16 ASN HA H 16 4.544 4.428 0.116 1
1 79 . 4 1 1 A 16 16 ASN CB C 16 38.240 38.015 0.225 1
1 84 . 4 1 1 A 16 16 ASN C C 16 175.456 177.232 -1.776 1
1 86 . 4 1 1 A 17 17 GLU N N 17 121.083 120.086 0.997 1
1 87 . 4 1 1 A 17 17 GLU H H 17 8.748 8.327 0.421 1
1 88 . 4 1 1 A 17 17 GLU CA C 17 58.345 58.877 -0.532 1
1 89 . 4 1 1 A 17 17 GLU HA H 17 4.217 4.024 0.193 1
1 90 . 4 1 1 A 17 17 GLU CB C 17 29.773 29.013 0.760 1
1 94 . 4 1 1 A 17 17 GLU C C 17 176.975 178.470 -1.495 1
1 97 . 4 1 1 A 18 18 CYS N N 18 114.669 114.772 -0.103 1
1 98 . 4 1 1 A 18 18 CYS H H 18 7.878 7.609 0.269 1
1 99 . 4 1 1 A 18 18 CYS CA C 18 58.313 59.724 -1.411 1
1 100 . 4 1 1 A 18 18 CYS HA H 18 5.146 4.432 0.714 1
1 101 . 4 1 1 A 18 18 CYS CB C 18 32.383 29.195 3.188 1
1 103 . 4 1 1 A 18 18 CYS C C 18 176.098 175.095 1.003 1
1 105 . 4 1 1 A 19 19 GLY N N 19 112.778 110.175 2.603 1
1 106 . 4 1 1 A 19 19 GLY H H 19 8.223 8.328 -0.105 1
1 107 . 4 1 1 A 19 19 GLY CA C 19 46.159 45.143 1.016 1
1 108 . 4 1 1 A 19 19 GLY HA3 H 19 4.206 4.064 0.142 1
1 109 . 4 1 1 A 19 19 GLY C C 19 174.359 174.287 0.072 1
1 110 . 4 1 1 A 19 19 GLY HA2 H 19 3.866 4.057 -0.191 1
1 111 . 4 1 1 A 20 20 LYS N N 20 122.671 119.406 3.265 1
1 112 . 4 1 1 A 20 20 LYS H H 20 7.991 7.463 0.528 1
1 113 . 4 1 1 A 20 20 LYS CA C 20 57.994 55.466 2.528 1
1 114 . 4 1 1 A 20 20 LYS HA H 20 4.072 4.555 -0.483 1
1 115 . 4 1 1 A 20 20 LYS CB C 20 34.147 34.308 -0.161 1
1 123 . 4 1 1 A 20 20 LYS C C 20 174.631 175.122 -0.491 1
1 128 . 4 1 1 A 21 21 THR N N 21 109.348 111.166 -1.818 1
1 129 . 4 1 1 A 21 21 THR H H 21 7.448 8.401 -0.953 1
1 130 . 4 1 1 A 21 21 THR CA C 21 59.261 59.612 -0.351 1
1 131 . 4 1 1 A 21 21 THR HA H 21 4.996 5.213 -0.217 1
1 132 . 4 1 1 A 21 21 THR CB C 21 71.388 72.188 -0.800 1
1 138 . 4 1 1 A 21 21 THR C C 21 173.342 173.240 0.102 1
1 139 . 4 1 1 A 22 22 PHE N N 22 116.768 118.776 -2.008 1
1 140 . 4 1 1 A 22 22 PHE H H 22 8.559 8.296 0.263 1
1 141 . 4 1 1 A 22 22 PHE CA C 22 57.038 56.799 0.239 1
1 142 . 4 1 1 A 22 22 PHE HA H 22 4.860 4.892 -0.032 1
1 143 . 4 1 1 A 22 22 PHE CB C 22 43.966 42.766 1.200 1
1 155 . 4 1 1 A 22 22 PHE C C 22 175.846 175.809 0.037 1
1 157 . 4 1 1 A 23 23 SER N N 23 115.194 118.829 -3.635 1
1 158 . 4 1 1 A 23 23 SER H H 23 9.413 8.801 0.612 1
1 159 . 4 1 1 A 23 23 SER CA C 23 60.308 61.504 -1.196 1
1 160 . 4 1 1 A 23 23 SER HA H 23 4.613 4.339 0.274 1
1 161 . 4 1 1 A 23 23 SER CB C 23 64.352 63.129 1.223 1
1 163 . 4 1 1 A 23 23 SER C C 23 174.181 174.166 0.015 1
1 165 . 4 1 1 A 24 24 GLN N N 24 115.115 115.754 -0.639 1
1 166 . 4 1 1 A 24 24 GLN H H 24 7.028 7.633 -0.605 1
1 167 . 4 1 1 A 24 24 GLN CA C 24 54.225 54.258 -0.033 1
1 168 . 4 1 1 A 24 24 GLN HA H 24 4.827 4.772 0.055 1
1 169 . 4 1 1 A 24 24 GLN CB C 24 33.411 30.798 2.613 1
1 176 . 4 1 1 A 24 24 GLN C C 24 175.822 175.753 0.069 1
1 179 . 4 1 1 A 25 25 LYS N N 25 126.960 122.103 4.857 1
1 180 . 4 1 1 A 25 25 LYS H H 25 8.655 8.506 0.149 1
1 181 . 4 1 1 A 25 25 LYS CA C 25 59.663 59.597 0.066 1
1 182 . 4 1 1 A 25 25 LYS HA H 25 3.181 3.379 -0.198 1
1 183 . 4 1 1 A 25 25 LYS CB C 25 31.726 31.343 0.383 1
1 191 . 4 1 1 A 25 25 LYS C C 25 178.371 177.632 0.739 1
1 196 . 4 1 1 A 26 26 SER CA C 26 60.933 61.335 -0.402 1
1 197 . 4 1 1 A 26 26 SER HA H 26 4.054 4.030 0.024 1
1 198 . 4 1 1 A 26 26 SER CB C 26 61.498 62.985 -1.487 1
1 200 . 4 1 1 A 26 26 SER C C 26 176.882 176.804 0.078 1
1 202 . 4 1 1 A 27 27 ILE N N 27 123.952 121.583 2.369 1
1 203 . 4 1 1 A 27 27 ILE H H 27 6.655 7.402 -0.747 1
1 204 . 4 1 1 A 27 27 ILE CA C 27 63.774 64.324 -0.550 1
1 205 . 4 1 1 A 27 27 ILE HA H 27 3.765 3.647 0.118 1
1 206 . 4 1 1 A 27 27 ILE CB C 27 38.081 37.732 0.349 1
1 218 . 4 1 1 A 27 27 ILE C C 27 178.456 177.539 0.917 1
1 220 . 4 1 1 A 28 28 LEU N N 28 122.282 121.431 0.851 1
1 221 . 4 1 1 A 28 28 LEU H H 28 7.190 7.261 -0.071 1
1 222 . 4 1 1 A 28 28 LEU CA C 28 58.277 57.881 0.396 1
1 223 . 4 1 1 A 28 28 LEU HA H 28 3.322 2.972 0.350 1
1 224 . 4 1 1 A 28 28 LEU CB C 28 40.085 41.312 -1.227 1
1 236 . 4 1 1 A 28 28 LEU C C 28 178.134 178.283 -0.149 1
1 238 . 4 1 1 A 29 29 SER N N 29 114.752 114.194 0.558 1
1 239 . 4 1 1 A 29 29 SER H H 29 8.638 8.284 0.354 1
1 240 . 4 1 1 A 29 29 SER CA C 29 61.900 61.623 0.277 1
1 241 . 4 1 1 A 29 29 SER HA H 29 4.264 4.009 0.255 1
1 242 . 4 1 1 A 29 29 SER CB C 29 62.385 62.938 -0.553 1
1 244 . 4 1 1 A 29 29 SER C C 29 176.967 177.036 -0.069 1
1 246 . 4 1 1 A 30 30 ALA N N 30 122.806 122.680 0.126 1
1 247 . 4 1 1 A 30 30 ALA H H 30 7.393 7.787 -0.394 1
1 248 . 4 1 1 A 30 30 ALA CA C 30 55.041 54.894 0.147 1
1 249 . 4 1 1 A 30 30 ALA HA H 30 4.023 4.012 0.011 1
1 250 . 4 1 1 A 30 30 ALA CB C 30 17.887 18.204 -0.317 1
1 254 . 4 1 1 A 30 30 ALA C C 30 180.298 179.450 0.848 1
1 255 . 4 1 1 A 31 31 HIS N N 31 118.698 117.975 0.723 1
1 256 . 4 1 1 A 31 31 HIS H H 31 7.914 7.913 0.001 1
1 257 . 4 1 1 A 31 31 HIS CA C 31 59.052 59.251 -0.199 1
1 258 . 4 1 1 A 31 31 HIS HA H 31 4.208 4.107 0.101 1
1 259 . 4 1 1 A 31 31 HIS CB C 31 27.517 29.926 -2.409 1
1 265 . 4 1 1 A 31 31 HIS C C 31 178.351 176.802 1.549 1
1 267 . 4 1 1 A 32 32 GLN N N 32 120.686 118.534 2.152 1
1 268 . 4 1 1 A 32 32 GLN H H 32 8.890 7.898 0.992 1
1 269 . 4 1 1 A 32 32 GLN CA C 32 59.965 58.388 1.577 1
1 270 . 4 1 1 A 32 32 GLN HA H 32 3.709 4.192 -0.483 1
1 271 . 4 1 1 A 32 32 GLN CB C 32 28.290 28.733 -0.443 1
1 278 . 4 1 1 A 32 32 GLN C C 32 178.061 178.387 -0.326 1
1 281 . 4 1 1 A 33 33 ARG N N 33 117.052 120.368 -3.316 1
1 282 . 4 1 1 A 33 33 ARG H H 33 7.224 7.906 -0.682 1
1 283 . 4 1 1 A 33 33 ARG CA C 33 58.375 59.517 -1.142 1
1 284 . 4 1 1 A 33 33 ARG HA H 33 4.174 3.962 0.212 1
1 285 . 4 1 1 A 33 33 ARG CB C 33 29.947 29.990 -0.043 1
1 291 . 4 1 1 A 33 33 ARG C C 33 178.118 178.943 -0.825 1
1 295 . 4 1 1 A 34 34 THR N N 34 109.534 114.414 -4.880 1
1 296 . 4 1 1 A 34 34 THR H H 34 7.712 8.056 -0.344 1
1 297 . 4 1 1 A 34 34 THR CA C 34 63.776 64.418 -0.642 1
1 298 . 4 1 1 A 34 34 THR HA H 34 4.151 3.914 0.237 1
1 299 . 4 1 1 A 34 34 THR CB C 34 69.225 68.537 0.688 1
1 305 . 4 1 1 A 34 34 THR C C 34 175.617 175.586 0.031 1
1 306 . 4 1 1 A 35 35 HIS N N 35 118.842 118.039 0.803 1
1 307 . 4 1 1 A 35 35 HIS H H 35 7.161 8.043 -0.882 1
1 308 . 4 1 1 A 35 35 HIS CA C 35 55.580 54.379 1.201 1
1 309 . 4 1 1 A 35 35 HIS HA H 35 4.870 4.707 0.163 1
1 310 . 4 1 1 A 35 35 HIS CB C 35 28.690 27.311 1.379 1
1 316 . 4 1 1 A 35 35 HIS C C 35 175.646 175.343 0.303 1
1 318 . 4 1 1 A 36 36 THR N N 36 112.395 110.932 1.463 1
1 319 . 4 1 1 A 36 36 THR H H 36 7.833 7.618 0.215 1
1 320 . 4 1 1 A 36 36 THR CA C 36 62.278 62.189 0.089 1
1 321 . 4 1 1 A 36 36 THR HA H 36 4.358 4.554 -0.196 1
1 322 . 4 1 1 A 36 36 THR CB C 36 69.765 70.354 -0.589 1
1 328 . 4 1 1 A 36 36 THR C C 36 175.309 175.464 -0.155 1
1 329 . 4 1 1 A 37 37 GLY N N 37 110.931 109.528 1.403 1
1 330 . 4 1 1 A 37 37 GLY H H 37 8.319 7.897 0.422 1
1 331 . 4 1 1 A 37 37 GLY CA C 37 45.329 46.340 -1.011 1
1 332 . 4 1 1 A 37 37 GLY HA3 H 37 3.949 3.929 0.020 1
1 333 . 4 1 1 A 37 37 GLY C C 37 174.050 173.398 0.652 1
1 334 . 4 1 1 A 37 37 GLY HA2 H 37 4.011 3.921 0.090 1
1 335 . 4 1 1 A 38 38 GLU N N 38 120.677 117.872 2.805 1
1 336 . 4 1 1 A 38 38 GLU H H 38 8.142 7.752 0.390 1
1 337 . 4 1 1 A 38 38 GLU CA C 38 56.428 54.539 1.889 1
1 338 . 4 1 1 A 38 38 GLU HA H 38 4.236 4.930 -0.694 1
1 339 . 4 1 1 A 38 38 GLU CB C 38 30.536 33.584 -3.048 1
1 343 . 4 1 1 A 38 38 GLU C C 38 176.283 175.068 1.215 1
1 346 . 4 1 1 A 39 39 LYS N N 39 123.903 120.799 3.104 1
1 347 . 4 1 1 A 39 39 LYS H H 39 8.440 8.585 -0.145 1
1 348 . 4 1 1 A 39 39 LYS CA C 39 54.128 52.760 1.368 1
1 349 . 4 1 1 A 39 39 LYS HA H 39 4.602 4.760 -0.158 1
1 350 . 4 1 1 A 39 39 LYS CB C 39 32.498 34.491 -1.993 1
1 357 . 4 1 1 A 39 39 LYS C C 39 174.462 174.235 0.227 1
1 362 . 4 1 1 A 40 40 PRO CA C 40 63.208 62.618 0.590 1
1 363 . 4 1 1 A 40 40 PRO HA H 40 4.456 4.737 -0.281 1
1 364 . 4 1 1 A 40 40 PRO CB C 40 32.188 31.422 0.766 1
1 1 . 5 1 1 A 9 9 GLY CA C 9 45.275 45.099 0.176 1
1 2 . 5 1 1 A 9 9 GLY HA3 H 9 3.928 3.978 -0.050 1
1 3 . 5 1 1 A 9 9 GLY C C 9 174.122 174.273 -0.151 1
1 4 . 5 1 1 A 9 9 GLY HA2 H 9 3.928 3.963 -0.035 1
1 5 . 5 1 1 A 10 10 GLU N N 10 120.285 121.954 -1.669 1
1 6 . 5 1 1 A 10 10 GLU H H 10 8.221 7.899 0.322 1
1 7 . 5 1 1 A 10 10 GLU CA C 10 56.848 56.285 0.563 1
1 8 . 5 1 1 A 10 10 GLU HA H 10 4.171 4.241 -0.070 1
1 9 . 5 1 1 A 10 10 GLU CB C 10 30.334 29.869 0.465 1
1 13 . 5 1 1 A 10 10 GLU C C 10 176.429 177.034 -0.605 1
1 16 . 5 1 1 A 11 11 LYS N N 11 121.992 123.343 -1.351 1
1 17 . 5 1 1 A 11 11 LYS H H 11 8.280 9.023 -0.743 1
1 18 . 5 1 1 A 11 11 LYS CA C 11 53.934 56.891 -2.957 1
1 19 . 5 1 1 A 11 11 LYS HA H 11 4.454 4.263 0.191 1
1 20 . 5 1 1 A 11 11 LYS CB C 11 32.677 30.374 2.303 1
1 28 . 5 1 1 A 11 11 LYS C C 11 174.147 176.813 -2.666 1
1 33 . 5 1 1 A 12 12 PRO CA C 12 63.503 64.170 -0.667 1
1 34 . 5 1 1 A 12 12 PRO HA H 12 4.262 4.382 -0.120 1
1 35 . 5 1 1 A 12 12 PRO CB C 12 32.320 31.341 0.979 1
1 41 . 5 1 1 A 12 12 PRO C C 12 176.429 175.583 0.846 1
1 45 . 5 1 1 A 13 13 TYR N N 13 118.187 119.374 -1.187 1
1 46 . 5 1 1 A 13 13 TYR H H 13 7.892 7.533 0.359 1
1 47 . 5 1 1 A 13 13 TYR CA C 13 57.274 56.286 0.988 1
1 48 . 5 1 1 A 13 13 TYR HA H 13 4.663 5.005 -0.342 1
1 49 . 5 1 1 A 13 13 TYR CB C 13 38.361 41.233 -2.872 1
1 59 . 5 1 1 A 13 13 TYR C C 13 175.189 175.494 -0.305 1
1 61 . 5 1 1 A 14 14 GLY N N 14 111.782 109.062 2.720 1
1 62 . 5 1 1 A 14 14 GLY H H 14 8.597 8.949 -0.352 1
1 63 . 5 1 1 A 14 14 GLY CA C 14 44.676 45.190 -0.514 1
1 64 . 5 1 1 A 14 14 GLY HA3 H 14 4.797 4.444 0.353 1
1 65 . 5 1 1 A 14 14 GLY C C 14 172.271 173.328 -1.057 1
1 66 . 5 1 1 A 14 14 GLY HA2 H 14 3.615 4.379 -0.764 1
1 67 . 5 1 1 A 15 15 CYS N N 15 123.965 124.700 -0.735 1
1 68 . 5 1 1 A 15 15 CYS H H 15 8.968 8.792 0.176 1
1 69 . 5 1 1 A 15 15 CYS CA C 15 58.757 60.113 -1.356 1
1 70 . 5 1 1 A 15 15 CYS HA H 15 4.630 4.486 0.144 1
1 71 . 5 1 1 A 15 15 CYS CB C 15 30.011 28.857 1.154 1
1 73 . 5 1 1 A 15 15 CYS C C 15 176.914 175.655 1.259 1
1 75 . 5 1 1 A 16 16 ASN N N 16 129.827 125.903 3.924 1
1 76 . 5 1 1 A 16 16 ASN H H 16 9.362 8.857 0.505 1
1 77 . 5 1 1 A 16 16 ASN CA C 16 55.380 53.162 2.218 1
1 78 . 5 1 1 A 16 16 ASN HA H 16 4.544 4.934 -0.390 1
1 79 . 5 1 1 A 16 16 ASN CB C 16 38.240 38.664 -0.424 1
1 84 . 5 1 1 A 16 16 ASN C C 16 175.456 175.615 -0.159 1
1 86 . 5 1 1 A 17 17 GLU N N 17 121.083 118.197 2.886 1
1 87 . 5 1 1 A 17 17 GLU H H 17 8.748 7.937 0.811 1
1 88 . 5 1 1 A 17 17 GLU CA C 17 58.345 57.170 1.175 1
1 89 . 5 1 1 A 17 17 GLU HA H 17 4.217 4.450 -0.233 1
1 90 . 5 1 1 A 17 17 GLU CB C 17 29.773 31.887 -2.114 1
1 94 . 5 1 1 A 17 17 GLU C C 17 176.975 177.691 -0.716 1
1 97 . 5 1 1 A 18 18 CYS N N 18 114.669 114.812 -0.143 1
1 98 . 5 1 1 A 18 18 CYS H H 18 7.878 7.945 -0.067 1
1 99 . 5 1 1 A 18 18 CYS CA C 18 58.313 59.462 -1.149 1
1 100 . 5 1 1 A 18 18 CYS HA H 18 5.146 4.640 0.506 1
1 101 . 5 1 1 A 18 18 CYS CB C 18 32.383 29.964 2.419 1
1 103 . 5 1 1 A 18 18 CYS C C 18 176.098 175.343 0.755 1
1 105 . 5 1 1 A 19 19 GLY N N 19 112.778 110.259 2.519 1
1 106 . 5 1 1 A 19 19 GLY H H 19 8.223 7.623 0.600 1
1 107 . 5 1 1 A 19 19 GLY CA C 19 46.159 45.156 1.003 1
1 108 . 5 1 1 A 19 19 GLY HA3 H 19 4.206 4.057 0.149 1
1 109 . 5 1 1 A 19 19 GLY C C 19 174.359 174.285 0.074 1
1 110 . 5 1 1 A 19 19 GLY HA2 H 19 3.866 4.053 -0.187 1
1 111 . 5 1 1 A 20 20 LYS N N 20 122.671 119.392 3.279 1
1 112 . 5 1 1 A 20 20 LYS H H 20 7.991 7.333 0.658 1
1 113 . 5 1 1 A 20 20 LYS CA C 20 57.994 55.126 2.868 1
1 114 . 5 1 1 A 20 20 LYS HA H 20 4.072 4.575 -0.503 1
1 115 . 5 1 1 A 20 20 LYS CB C 20 34.147 34.336 -0.189 1
1 123 . 5 1 1 A 20 20 LYS C C 20 174.631 175.543 -0.912 1
1 128 . 5 1 1 A 21 21 THR N N 21 109.348 111.685 -2.337 1
1 129 . 5 1 1 A 21 21 THR H H 21 7.448 8.577 -1.129 1
1 130 . 5 1 1 A 21 21 THR CA C 21 59.261 59.178 0.083 1
1 131 . 5 1 1 A 21 21 THR HA H 21 4.996 5.449 -0.453 1
1 132 . 5 1 1 A 21 21 THR CB C 21 71.388 72.045 -0.657 1
1 138 . 5 1 1 A 21 21 THR C C 21 173.342 173.305 0.037 1
1 139 . 5 1 1 A 22 22 PHE N N 22 116.768 118.294 -1.526 1
1 140 . 5 1 1 A 22 22 PHE H H 22 8.559 8.262 0.297 1
1 141 . 5 1 1 A 22 22 PHE CA C 22 57.038 56.949 0.089 1
1 142 . 5 1 1 A 22 22 PHE HA H 22 4.860 4.913 -0.053 1
1 143 . 5 1 1 A 22 22 PHE CB C 22 43.966 42.515 1.451 1
1 155 . 5 1 1 A 22 22 PHE C C 22 175.846 175.917 -0.071 1
1 157 . 5 1 1 A 23 23 SER N N 23 115.194 117.040 -1.846 1
1 158 . 5 1 1 A 23 23 SER H H 23 9.413 8.809 0.604 1
1 159 . 5 1 1 A 23 23 SER CA C 23 60.308 61.946 -1.638 1
1 160 . 5 1 1 A 23 23 SER HA H 23 4.613 4.374 0.239 1
1 161 . 5 1 1 A 23 23 SER CB C 23 64.352 63.113 1.239 1
1 163 . 5 1 1 A 23 23 SER C C 23 174.181 174.888 -0.707 1
1 165 . 5 1 1 A 24 24 GLN N N 24 115.115 116.749 -1.634 1
1 166 . 5 1 1 A 24 24 GLN H H 24 7.028 7.614 -0.586 1
1 167 . 5 1 1 A 24 24 GLN CA C 24 54.225 53.637 0.588 1
1 168 . 5 1 1 A 24 24 GLN HA H 24 4.827 4.578 0.249 1
1 169 . 5 1 1 A 24 24 GLN CB C 24 33.411 31.534 1.877 1
1 176 . 5 1 1 A 24 24 GLN C C 24 175.822 175.404 0.418 1
1 179 . 5 1 1 A 25 25 LYS N N 25 126.960 120.422 6.538 1
1 180 . 5 1 1 A 25 25 LYS H H 25 8.655 8.162 0.493 1
1 181 . 5 1 1 A 25 25 LYS CA C 25 59.663 59.242 0.421 1
1 182 . 5 1 1 A 25 25 LYS HA H 25 3.181 3.331 -0.150 1
1 183 . 5 1 1 A 25 25 LYS CB C 25 31.726 31.877 -0.151 1
1 191 . 5 1 1 A 25 25 LYS C C 25 178.371 178.199 0.172 1
1 196 . 5 1 1 A 26 26 SER CA C 26 60.933 62.285 -1.352 1
1 197 . 5 1 1 A 26 26 SER HA H 26 4.054 4.025 0.029 1
1 198 . 5 1 1 A 26 26 SER CB C 26 61.498 62.894 -1.396 1
1 200 . 5 1 1 A 26 26 SER C C 26 176.882 176.121 0.761 1
1 202 . 5 1 1 A 27 27 ILE N N 27 123.952 120.747 3.205 1
1 203 . 5 1 1 A 27 27 ILE H H 27 6.655 7.485 -0.830 1
1 204 . 5 1 1 A 27 27 ILE CA C 27 63.774 63.976 -0.202 1
1 205 . 5 1 1 A 27 27 ILE HA H 27 3.765 3.792 -0.027 1
1 206 . 5 1 1 A 27 27 ILE CB C 27 38.081 38.084 -0.003 1
1 218 . 5 1 1 A 27 27 ILE C C 27 178.456 177.435 1.021 1
1 220 . 5 1 1 A 28 28 LEU N N 28 122.282 121.257 1.025 1
1 221 . 5 1 1 A 28 28 LEU H H 28 7.190 7.341 -0.151 1
1 222 . 5 1 1 A 28 28 LEU CA C 28 58.277 57.627 0.650 1
1 223 . 5 1 1 A 28 28 LEU HA H 28 3.322 2.694 0.628 1
1 224 . 5 1 1 A 28 28 LEU CB C 28 40.085 40.936 -0.851 1
1 236 . 5 1 1 A 28 28 LEU C C 28 178.134 178.078 0.056 1
1 238 . 5 1 1 A 29 29 SER N N 29 114.752 114.015 0.737 1
1 239 . 5 1 1 A 29 29 SER H H 29 8.638 8.368 0.270 1
1 240 . 5 1 1 A 29 29 SER CA C 29 61.900 61.554 0.346 1
1 241 . 5 1 1 A 29 29 SER HA H 29 4.264 3.975 0.289 1
1 242 . 5 1 1 A 29 29 SER CB C 29 62.385 62.853 -0.468 1
1 244 . 5 1 1 A 29 29 SER C C 29 176.967 177.180 -0.213 1
1 246 . 5 1 1 A 30 30 ALA N N 30 122.806 122.720 0.086 1
1 247 . 5 1 1 A 30 30 ALA H H 30 7.393 7.975 -0.582 1
1 248 . 5 1 1 A 30 30 ALA CA C 30 55.041 55.266 -0.225 1
1 249 . 5 1 1 A 30 30 ALA HA H 30 4.023 4.015 0.008 1
1 250 . 5 1 1 A 30 30 ALA CB C 30 17.887 18.131 -0.244 1
1 254 . 5 1 1 A 30 30 ALA C C 30 180.298 179.743 0.555 1
1 255 . 5 1 1 A 31 31 HIS N N 31 118.698 117.508 1.190 1
1 256 . 5 1 1 A 31 31 HIS H H 31 7.914 7.606 0.308 1
1 257 . 5 1 1 A 31 31 HIS CA C 31 59.052 59.403 -0.351 1
1 258 . 5 1 1 A 31 31 HIS HA H 31 4.208 4.208 0.000 1
1 259 . 5 1 1 A 31 31 HIS CB C 31 27.517 29.630 -2.113 1
1 265 . 5 1 1 A 31 31 HIS C C 31 178.351 177.578 0.773 1
1 267 . 5 1 1 A 32 32 GLN N N 32 120.686 118.706 1.980 1
1 268 . 5 1 1 A 32 32 GLN H H 32 8.890 7.854 1.036 1
1 269 . 5 1 1 A 32 32 GLN CA C 32 59.965 59.548 0.417 1
1 270 . 5 1 1 A 32 32 GLN HA H 32 3.709 4.114 -0.405 1
1 271 . 5 1 1 A 32 32 GLN CB C 32 28.290 28.133 0.157 1
1 278 . 5 1 1 A 32 32 GLN C C 32 178.061 178.959 -0.898 1
1 281 . 5 1 1 A 33 33 ARG N N 33 117.052 120.805 -3.753 1
1 282 . 5 1 1 A 33 33 ARG H H 33 7.224 7.671 -0.447 1
1 283 . 5 1 1 A 33 33 ARG CA C 33 58.375 59.195 -0.820 1
1 284 . 5 1 1 A 33 33 ARG HA H 33 4.174 4.081 0.093 1
1 285 . 5 1 1 A 33 33 ARG CB C 33 29.947 30.192 -0.245 1
1 291 . 5 1 1 A 33 33 ARG C C 33 178.118 177.202 0.916 1
1 295 . 5 1 1 A 34 34 THR N N 34 109.534 114.273 -4.739 1
1 296 . 5 1 1 A 34 34 THR H H 34 7.712 7.759 -0.047 1
1 297 . 5 1 1 A 34 34 THR CA C 34 63.776 62.350 1.426 1
1 298 . 5 1 1 A 34 34 THR HA H 34 4.151 4.264 -0.113 1
1 299 . 5 1 1 A 34 34 THR CB C 34 69.225 68.874 0.351 1
1 305 . 5 1 1 A 34 34 THR C C 34 175.617 174.956 0.661 1
1 306 . 5 1 1 A 35 35 HIS N N 35 118.842 120.363 -1.521 1
1 307 . 5 1 1 A 35 35 HIS H H 35 7.161 8.107 -0.946 1
1 308 . 5 1 1 A 35 35 HIS CA C 35 55.580 56.953 -1.373 1
1 309 . 5 1 1 A 35 35 HIS HA H 35 4.870 4.601 0.269 1
1 310 . 5 1 1 A 35 35 HIS CB C 35 28.690 31.547 -2.857 1
1 316 . 5 1 1 A 35 35 HIS C C 35 175.646 174.938 0.708 1
1 318 . 5 1 1 A 36 36 THR N N 36 112.395 112.330 0.065 1
1 319 . 5 1 1 A 36 36 THR H H 36 7.833 7.643 0.190 1
1 320 . 5 1 1 A 36 36 THR CA C 36 62.278 62.311 -0.033 1
1 321 . 5 1 1 A 36 36 THR HA H 36 4.358 4.167 0.191 1
1 322 . 5 1 1 A 36 36 THR CB C 36 69.765 68.646 1.119 1
1 328 . 5 1 1 A 36 36 THR C C 36 175.309 174.284 1.025 1
1 329 . 5 1 1 A 37 37 GLY N N 37 110.931 112.715 -1.784 1
1 330 . 5 1 1 A 37 37 GLY H H 37 8.319 8.607 -0.288 1
1 331 . 5 1 1 A 37 37 GLY CA C 37 45.329 46.261 -0.932 1
1 332 . 5 1 1 A 37 37 GLY HA3 H 37 3.949 3.969 -0.020 1
1 333 . 5 1 1 A 37 37 GLY C C 37 174.050 174.306 -0.256 1
1 334 . 5 1 1 A 37 37 GLY HA2 H 37 4.011 3.961 0.050 1
1 335 . 5 1 1 A 38 38 GLU N N 38 120.677 120.848 -0.171 1
1 336 . 5 1 1 A 38 38 GLU H H 38 8.142 7.740 0.402 1
1 337 . 5 1 1 A 38 38 GLU CA C 38 56.428 55.925 0.503 1
1 338 . 5 1 1 A 38 38 GLU HA H 38 4.236 4.492 -0.256 1
1 339 . 5 1 1 A 38 38 GLU CB C 38 30.536 29.192 1.344 1
1 343 . 5 1 1 A 38 38 GLU C C 38 176.283 175.210 1.073 1
1 346 . 5 1 1 A 39 39 LYS N N 39 123.903 124.159 -0.256 1
1 347 . 5 1 1 A 39 39 LYS H H 39 8.440 7.802 0.638 1
1 348 . 5 1 1 A 39 39 LYS CA C 39 54.128 54.102 0.026 1
1 349 . 5 1 1 A 39 39 LYS HA H 39 4.602 4.884 -0.282 1
1 350 . 5 1 1 A 39 39 LYS CB C 39 32.498 35.384 -2.886 1
1 357 . 5 1 1 A 39 39 LYS C C 39 174.462 175.844 -1.382 1
1 362 . 5 1 1 A 40 40 PRO CA C 40 63.208 63.649 -0.441 1
1 363 . 5 1 1 A 40 40 PRO HA H 40 4.456 4.554 -0.098 1
1 364 . 5 1 1 A 40 40 PRO CB C 40 32.188 32.043 0.145 1
1 1 . 6 1 1 A 9 9 GLY CA C 9 45.275 46.477 -1.202 1
1 2 . 6 1 1 A 9 9 GLY HA3 H 9 3.928 3.838 0.090 1
1 3 . 6 1 1 A 9 9 GLY C C 9 174.122 174.371 -0.249 1
1 4 . 6 1 1 A 9 9 GLY HA2 H 9 3.928 3.837 0.091 1
1 5 . 6 1 1 A 10 10 GLU N N 10 120.285 121.072 -0.787 1
1 6 . 6 1 1 A 10 10 GLU H H 10 8.221 9.090 -0.869 1
1 7 . 6 1 1 A 10 10 GLU CA C 10 56.848 57.370 -0.522 1
1 8 . 6 1 1 A 10 10 GLU HA H 10 4.171 3.998 0.173 1
1 9 . 6 1 1 A 10 10 GLU CB C 10 30.334 28.397 1.937 1
1 13 . 6 1 1 A 10 10 GLU C C 10 176.429 175.495 0.934 1
1 16 . 6 1 1 A 11 11 LYS N N 11 121.992 112.286 9.706 1
1 17 . 6 1 1 A 11 11 LYS H H 11 8.280 8.409 -0.129 1
1 18 . 6 1 1 A 11 11 LYS CA C 11 53.934 56.863 -2.929 1
1 19 . 6 1 1 A 11 11 LYS HA H 11 4.454 4.116 0.338 1
1 20 . 6 1 1 A 11 11 LYS CB C 11 32.677 29.826 2.851 1
1 28 . 6 1 1 A 11 11 LYS C C 11 174.147 176.885 -2.738 1
1 33 . 6 1 1 A 12 12 PRO CA C 12 63.503 64.300 -0.797 1
1 34 . 6 1 1 A 12 12 PRO HA H 12 4.262 4.478 -0.216 1
1 35 . 6 1 1 A 12 12 PRO CB C 12 32.320 31.456 0.864 1
1 41 . 6 1 1 A 12 12 PRO C C 12 176.429 175.763 0.666 1
1 45 . 6 1 1 A 13 13 TYR N N 13 118.187 119.423 -1.236 1
1 46 . 6 1 1 A 13 13 TYR H H 13 7.892 7.583 0.309 1
1 47 . 6 1 1 A 13 13 TYR CA C 13 57.274 56.167 1.107 1
1 48 . 6 1 1 A 13 13 TYR HA H 13 4.663 5.164 -0.501 1
1 49 . 6 1 1 A 13 13 TYR CB C 13 38.361 40.542 -2.181 1
1 59 . 6 1 1 A 13 13 TYR C C 13 175.189 175.115 0.074 1
1 61 . 6 1 1 A 14 14 GLY N N 14 111.782 111.634 0.148 1
1 62 . 6 1 1 A 14 14 GLY H H 14 8.597 9.061 -0.464 1
1 63 . 6 1 1 A 14 14 GLY CA C 14 44.676 44.565 0.111 1
1 64 . 6 1 1 A 14 14 GLY HA3 H 14 4.797 4.400 0.397 1
1 65 . 6 1 1 A 14 14 GLY C C 14 172.271 172.729 -0.458 1
1 66 . 6 1 1 A 14 14 GLY HA2 H 14 3.615 4.334 -0.719 1
1 67 . 6 1 1 A 15 15 CYS N N 15 123.965 122.715 1.250 1
1 68 . 6 1 1 A 15 15 CYS H H 15 8.968 9.216 -0.248 1
1 69 . 6 1 1 A 15 15 CYS CA C 15 58.757 59.925 -1.168 1
1 70 . 6 1 1 A 15 15 CYS HA H 15 4.630 4.472 0.158 1
1 71 . 6 1 1 A 15 15 CYS CB C 15 30.011 29.121 0.890 1
1 73 . 6 1 1 A 15 15 CYS C C 15 176.914 175.762 1.152 1
1 75 . 6 1 1 A 16 16 ASN N N 16 129.827 126.398 3.429 1
1 76 . 6 1 1 A 16 16 ASN H H 16 9.362 8.995 0.367 1
1 77 . 6 1 1 A 16 16 ASN CA C 16 55.380 54.840 0.540 1
1 78 . 6 1 1 A 16 16 ASN HA H 16 4.544 4.669 -0.125 1
1 79 . 6 1 1 A 16 16 ASN CB C 16 38.240 38.703 -0.463 1
1 84 . 6 1 1 A 16 16 ASN C C 16 175.456 177.090 -1.634 1
1 86 . 6 1 1 A 17 17 GLU N N 17 121.083 119.416 1.667 1
1 87 . 6 1 1 A 17 17 GLU H H 17 8.748 7.859 0.889 1
1 88 . 6 1 1 A 17 17 GLU CA C 17 58.345 58.947 -0.602 1
1 89 . 6 1 1 A 17 17 GLU HA H 17 4.217 4.002 0.215 1
1 90 . 6 1 1 A 17 17 GLU CB C 17 29.773 29.788 -0.015 1
1 94 . 6 1 1 A 17 17 GLU C C 17 176.975 178.156 -1.181 1
1 97 . 6 1 1 A 18 18 CYS N N 18 114.669 114.683 -0.014 1
1 98 . 6 1 1 A 18 18 CYS H H 18 7.878 7.771 0.107 1
1 99 . 6 1 1 A 18 18 CYS CA C 18 58.313 59.672 -1.359 1
1 100 . 6 1 1 A 18 18 CYS HA H 18 5.146 4.580 0.566 1
1 101 . 6 1 1 A 18 18 CYS CB C 18 32.383 29.492 2.891 1
1 103 . 6 1 1 A 18 18 CYS C C 18 176.098 175.338 0.760 1
1 105 . 6 1 1 A 19 19 GLY N N 19 112.778 109.498 3.280 1
1 106 . 6 1 1 A 19 19 GLY H H 19 8.223 7.937 0.286 1
1 107 . 6 1 1 A 19 19 GLY CA C 19 46.159 45.354 0.805 1
1 108 . 6 1 1 A 19 19 GLY HA3 H 19 4.206 4.055 0.151 1
1 109 . 6 1 1 A 19 19 GLY C C 19 174.359 174.662 -0.303 1
1 110 . 6 1 1 A 19 19 GLY HA2 H 19 3.866 4.048 -0.182 1
1 111 . 6 1 1 A 20 20 LYS N N 20 122.671 121.344 1.327 1
1 112 . 6 1 1 A 20 20 LYS H H 20 7.991 7.502 0.489 1
1 113 . 6 1 1 A 20 20 LYS CA C 20 57.994 57.297 0.697 1
1 114 . 6 1 1 A 20 20 LYS HA H 20 4.072 4.170 -0.098 1
1 115 . 6 1 1 A 20 20 LYS CB C 20 34.147 33.228 0.919 1
1 123 . 6 1 1 A 20 20 LYS C C 20 174.631 176.612 -1.981 1
1 128 . 6 1 1 A 21 21 THR N N 21 109.348 115.000 -5.652 1
1 129 . 6 1 1 A 21 21 THR H H 21 7.448 8.252 -0.804 1
1 130 . 6 1 1 A 21 21 THR CA C 21 59.261 59.845 -0.584 1
1 131 . 6 1 1 A 21 21 THR HA H 21 4.996 5.264 -0.268 1
1 132 . 6 1 1 A 21 21 THR CB C 21 71.388 71.606 -0.218 1
1 138 . 6 1 1 A 21 21 THR C C 21 173.342 173.464 -0.122 1
1 139 . 6 1 1 A 22 22 PHE N N 22 116.768 118.810 -2.042 1
1 140 . 6 1 1 A 22 22 PHE H H 22 8.559 8.673 -0.114 1
1 141 . 6 1 1 A 22 22 PHE CA C 22 57.038 56.579 0.459 1
1 142 . 6 1 1 A 22 22 PHE HA H 22 4.860 4.877 -0.017 1
1 143 . 6 1 1 A 22 22 PHE CB C 22 43.966 42.834 1.132 1
1 155 . 6 1 1 A 22 22 PHE C C 22 175.846 175.942 -0.096 1
1 157 . 6 1 1 A 23 23 SER N N 23 115.194 118.410 -3.216 1
1 158 . 6 1 1 A 23 23 SER H H 23 9.413 8.870 0.543 1
1 159 . 6 1 1 A 23 23 SER CA C 23 60.308 62.074 -1.766 1
1 160 . 6 1 1 A 23 23 SER HA H 23 4.613 4.272 0.341 1
1 161 . 6 1 1 A 23 23 SER CB C 23 64.352 63.193 1.159 1
1 163 . 6 1 1 A 23 23 SER C C 23 174.181 174.744 -0.563 1
1 165 . 6 1 1 A 24 24 GLN N N 24 115.115 117.732 -2.617 1
1 166 . 6 1 1 A 24 24 GLN H H 24 7.028 7.701 -0.673 1
1 167 . 6 1 1 A 24 24 GLN CA C 24 54.225 54.235 -0.010 1
1 168 . 6 1 1 A 24 24 GLN HA H 24 4.827 4.791 0.036 1
1 169 . 6 1 1 A 24 24 GLN CB C 24 33.411 31.070 2.341 1
1 176 . 6 1 1 A 24 24 GLN C C 24 175.822 176.005 -0.183 1
1 179 . 6 1 1 A 25 25 LYS N N 25 126.960 120.870 6.090 1
1 180 . 6 1 1 A 25 25 LYS H H 25 8.655 8.004 0.651 1
1 181 . 6 1 1 A 25 25 LYS CA C 25 59.663 58.724 0.939 1
1 182 . 6 1 1 A 25 25 LYS HA H 25 3.181 3.632 -0.451 1
1 183 . 6 1 1 A 25 25 LYS CB C 25 31.726 31.417 0.309 1
1 191 . 6 1 1 A 25 25 LYS C C 25 178.371 178.218 0.153 1
1 196 . 6 1 1 A 26 26 SER CA C 26 60.933 61.486 -0.553 1
1 197 . 6 1 1 A 26 26 SER HA H 26 4.054 4.022 0.032 1
1 198 . 6 1 1 A 26 26 SER CB C 26 61.498 63.093 -1.595 1
1 200 . 6 1 1 A 26 26 SER C C 26 176.882 176.879 0.003 1
1 202 . 6 1 1 A 27 27 ILE N N 27 123.952 121.547 2.405 1
1 203 . 6 1 1 A 27 27 ILE H H 27 6.655 7.250 -0.595 1
1 204 . 6 1 1 A 27 27 ILE CA C 27 63.774 64.251 -0.477 1
1 205 . 6 1 1 A 27 27 ILE HA H 27 3.765 3.713 0.052 1
1 206 . 6 1 1 A 27 27 ILE CB C 27 38.081 37.858 0.223 1
1 218 . 6 1 1 A 27 27 ILE C C 27 178.456 177.533 0.923 1
1 220 . 6 1 1 A 28 28 LEU N N 28 122.282 121.785 0.497 1
1 221 . 6 1 1 A 28 28 LEU H H 28 7.190 7.424 -0.234 1
1 222 . 6 1 1 A 28 28 LEU CA C 28 58.277 57.815 0.462 1
1 223 . 6 1 1 A 28 28 LEU HA H 28 3.322 2.944 0.378 1
1 224 . 6 1 1 A 28 28 LEU CB C 28 40.085 41.204 -1.119 1
1 236 . 6 1 1 A 28 28 LEU C C 28 178.134 177.935 0.199 1
1 238 . 6 1 1 A 29 29 SER N N 29 114.752 113.169 1.583 1
1 239 . 6 1 1 A 29 29 SER H H 29 8.638 8.509 0.129 1
1 240 . 6 1 1 A 29 29 SER CA C 29 61.900 61.261 0.639 1
1 241 . 6 1 1 A 29 29 SER HA H 29 4.264 4.095 0.169 1
1 242 . 6 1 1 A 29 29 SER CB C 29 62.385 62.651 -0.266 1
1 244 . 6 1 1 A 29 29 SER C C 29 176.967 176.850 0.117 1
1 246 . 6 1 1 A 30 30 ALA N N 30 122.806 123.446 -0.640 1
1 247 . 6 1 1 A 30 30 ALA H H 30 7.393 7.763 -0.370 1
1 248 . 6 1 1 A 30 30 ALA CA C 30 55.041 54.891 0.150 1
1 249 . 6 1 1 A 30 30 ALA HA H 30 4.023 4.052 -0.029 1
1 250 . 6 1 1 A 30 30 ALA CB C 30 17.887 18.288 -0.401 1
1 254 . 6 1 1 A 30 30 ALA C C 30 180.298 179.378 0.920 1
1 255 . 6 1 1 A 31 31 HIS N N 31 118.698 117.872 0.826 1
1 256 . 6 1 1 A 31 31 HIS H H 31 7.914 7.687 0.227 1
1 257 . 6 1 1 A 31 31 HIS CA C 31 59.052 59.768 -0.716 1
1 258 . 6 1 1 A 31 31 HIS HA H 31 4.208 4.093 0.115 1
1 259 . 6 1 1 A 31 31 HIS CB C 31 27.517 29.890 -2.373 1
1 265 . 6 1 1 A 31 31 HIS C C 31 178.351 177.259 1.092 1
1 267 . 6 1 1 A 32 32 GLN N N 32 120.686 118.788 1.898 1
1 268 . 6 1 1 A 32 32 GLN H H 32 8.890 7.627 1.263 1
1 269 . 6 1 1 A 32 32 GLN CA C 32 59.965 58.608 1.357 1
1 270 . 6 1 1 A 32 32 GLN HA H 32 3.709 4.146 -0.437 1
1 271 . 6 1 1 A 32 32 GLN CB C 32 28.290 28.182 0.108 1
1 278 . 6 1 1 A 32 32 GLN C C 32 178.061 178.668 -0.607 1
1 281 . 6 1 1 A 33 33 ARG N N 33 117.052 120.479 -3.427 1
1 282 . 6 1 1 A 33 33 ARG H H 33 7.224 7.830 -0.606 1
1 283 . 6 1 1 A 33 33 ARG CA C 33 58.375 59.483 -1.108 1
1 284 . 6 1 1 A 33 33 ARG HA H 33 4.174 3.971 0.203 1
1 285 . 6 1 1 A 33 33 ARG CB C 33 29.947 29.953 -0.006 1
1 291 . 6 1 1 A 33 33 ARG C C 33 178.118 179.092 -0.974 1
1 295 . 6 1 1 A 34 34 THR N N 34 109.534 114.330 -4.796 1
1 296 . 6 1 1 A 34 34 THR H H 34 7.712 8.024 -0.312 1
1 297 . 6 1 1 A 34 34 THR CA C 34 63.776 64.838 -1.062 1
1 298 . 6 1 1 A 34 34 THR HA H 34 4.151 3.922 0.229 1
1 299 . 6 1 1 A 34 34 THR CB C 34 69.225 68.613 0.612 1
1 305 . 6 1 1 A 34 34 THR C C 34 175.617 175.420 0.197 1
1 306 . 6 1 1 A 35 35 HIS N N 35 118.842 117.499 1.343 1
1 307 . 6 1 1 A 35 35 HIS H H 35 7.161 7.678 -0.517 1
1 308 . 6 1 1 A 35 35 HIS CA C 35 55.580 54.873 0.707 1
1 309 . 6 1 1 A 35 35 HIS HA H 35 4.870 4.535 0.335 1
1 310 . 6 1 1 A 35 35 HIS CB C 35 28.690 27.539 1.151 1
1 316 . 6 1 1 A 35 35 HIS C C 35 175.646 173.769 1.877 1
1 318 . 6 1 1 A 36 36 THR N N 36 112.395 111.861 0.534 1
1 319 . 6 1 1 A 36 36 THR H H 36 7.833 8.488 -0.655 1
1 320 . 6 1 1 A 36 36 THR CA C 36 62.278 60.443 1.835 1
1 321 . 6 1 1 A 36 36 THR HA H 36 4.358 4.725 -0.367 1
1 322 . 6 1 1 A 36 36 THR CB C 36 69.765 71.473 -1.708 1
1 328 . 6 1 1 A 36 36 THR C C 36 175.309 173.328 1.981 1
1 329 . 6 1 1 A 37 37 GLY N N 37 110.931 109.370 1.561 1
1 330 . 6 1 1 A 37 37 GLY H H 37 8.319 8.511 -0.192 1
1 331 . 6 1 1 A 37 37 GLY CA C 37 45.329 44.519 0.810 1
1 332 . 6 1 1 A 37 37 GLY HA3 H 37 3.949 4.157 -0.208 1
1 333 . 6 1 1 A 37 37 GLY C C 37 174.050 174.171 -0.121 1
1 334 . 6 1 1 A 37 37 GLY HA2 H 37 4.011 4.157 -0.146 1
1 335 . 6 1 1 A 38 38 GLU N N 38 120.677 123.732 -3.055 1
1 336 . 6 1 1 A 38 38 GLU H H 38 8.142 8.654 -0.512 1
1 337 . 6 1 1 A 38 38 GLU CA C 38 56.428 57.530 -1.102 1
1 338 . 6 1 1 A 38 38 GLU HA H 38 4.236 3.820 0.416 1
1 339 . 6 1 1 A 38 38 GLU CB C 38 30.536 28.057 2.479 1
1 343 . 6 1 1 A 38 38 GLU C C 38 176.283 175.503 0.780 1
1 346 . 6 1 1 A 39 39 LYS N N 39 123.903 117.446 6.457 1
1 347 . 6 1 1 A 39 39 LYS H H 39 8.440 7.594 0.846 1
1 348 . 6 1 1 A 39 39 LYS CA C 39 54.128 55.314 -1.186 1
1 349 . 6 1 1 A 39 39 LYS HA H 39 4.602 4.472 0.130 1
1 350 . 6 1 1 A 39 39 LYS CB C 39 32.498 32.333 0.165 1
1 357 . 6 1 1 A 39 39 LYS C C 39 174.462 175.786 -1.324 1
1 362 . 6 1 1 A 40 40 PRO CA C 40 63.208 62.922 0.286 1
1 363 . 6 1 1 A 40 40 PRO HA H 40 4.456 4.410 0.046 1
1 364 . 6 1 1 A 40 40 PRO CB C 40 32.188 32.121 0.067 1
1 1 . 7 1 1 A 9 9 GLY CA C 9 45.275 45.275 0.000 1
1 2 . 7 1 1 A 9 9 GLY HA3 H 9 3.928 4.150 -0.222 1
1 3 . 7 1 1 A 9 9 GLY C C 9 174.122 174.188 -0.066 1
1 4 . 7 1 1 A 9 9 GLY HA2 H 9 3.928 4.139 -0.211 1
1 5 . 7 1 1 A 10 10 GLU N N 10 120.285 119.539 0.746 1
1 6 . 7 1 1 A 10 10 GLU H H 10 8.221 8.242 -0.021 1
1 7 . 7 1 1 A 10 10 GLU CA C 10 56.848 54.943 1.905 1
1 8 . 7 1 1 A 10 10 GLU HA H 10 4.171 4.682 -0.511 1
1 9 . 7 1 1 A 10 10 GLU CB C 10 30.334 30.328 0.006 1
1 13 . 7 1 1 A 10 10 GLU C C 10 176.429 176.257 0.172 1
1 16 . 7 1 1 A 11 11 LYS N N 11 121.992 123.193 -1.201 1
1 17 . 7 1 1 A 11 11 LYS H H 11 8.280 8.651 -0.371 1
1 18 . 7 1 1 A 11 11 LYS CA C 11 53.934 56.767 -2.833 1
1 19 . 7 1 1 A 11 11 LYS HA H 11 4.454 4.085 0.369 1
1 20 . 7 1 1 A 11 11 LYS CB C 11 32.677 30.106 2.571 1
1 28 . 7 1 1 A 11 11 LYS C C 11 174.147 176.466 -2.319 1
1 33 . 7 1 1 A 12 12 PRO CA C 12 63.503 64.668 -1.165 1
1 34 . 7 1 1 A 12 12 PRO HA H 12 4.262 4.508 -0.246 1
1 35 . 7 1 1 A 12 12 PRO CB C 12 32.320 31.478 0.842 1
1 41 . 7 1 1 A 12 12 PRO C C 12 176.429 175.853 0.576 1
1 45 . 7 1 1 A 13 13 TYR N N 13 118.187 118.933 -0.746 1
1 46 . 7 1 1 A 13 13 TYR H H 13 7.892 7.129 0.763 1
1 47 . 7 1 1 A 13 13 TYR CA C 13 57.274 56.545 0.729 1
1 48 . 7 1 1 A 13 13 TYR HA H 13 4.663 4.953 -0.290 1
1 49 . 7 1 1 A 13 13 TYR CB C 13 38.361 40.920 -2.559 1
1 59 . 7 1 1 A 13 13 TYR C C 13 175.189 175.528 -0.339 1
1 61 . 7 1 1 A 14 14 GLY N N 14 111.782 109.790 1.992 1
1 62 . 7 1 1 A 14 14 GLY H H 14 8.597 9.003 -0.406 1
1 63 . 7 1 1 A 14 14 GLY CA C 14 44.676 44.669 0.007 1
1 64 . 7 1 1 A 14 14 GLY HA3 H 14 4.797 4.465 0.332 1
1 65 . 7 1 1 A 14 14 GLY C C 14 172.271 172.300 -0.029 1
1 66 . 7 1 1 A 14 14 GLY HA2 H 14 3.615 4.416 -0.801 1
1 67 . 7 1 1 A 15 15 CYS N N 15 123.965 121.728 2.237 1
1 68 . 7 1 1 A 15 15 CYS H H 15 8.968 8.945 0.023 1
1 69 . 7 1 1 A 15 15 CYS CA C 15 58.757 58.545 0.212 1
1 70 . 7 1 1 A 15 15 CYS HA H 15 4.630 4.709 -0.079 1
1 71 . 7 1 1 A 15 15 CYS CB C 15 30.011 28.015 1.996 1
1 73 . 7 1 1 A 15 15 CYS C C 15 176.914 175.775 1.139 1
1 75 . 7 1 1 A 16 16 ASN N N 16 129.827 126.748 3.079 1
1 76 . 7 1 1 A 16 16 ASN H H 16 9.362 9.144 0.218 1
1 77 . 7 1 1 A 16 16 ASN CA C 16 55.380 52.222 3.158 1
1 78 . 7 1 1 A 16 16 ASN HA H 16 4.544 4.940 -0.396 1
1 79 . 7 1 1 A 16 16 ASN CB C 16 38.240 37.994 0.246 1
1 84 . 7 1 1 A 16 16 ASN C C 16 175.456 176.110 -0.654 1
1 86 . 7 1 1 A 17 17 GLU N N 17 121.083 120.495 0.588 1
1 87 . 7 1 1 A 17 17 GLU H H 17 8.748 7.936 0.812 1
1 88 . 7 1 1 A 17 17 GLU CA C 17 58.345 56.846 1.499 1
1 89 . 7 1 1 A 17 17 GLU HA H 17 4.217 4.433 -0.216 1
1 90 . 7 1 1 A 17 17 GLU CB C 17 29.773 31.770 -1.997 1
1 94 . 7 1 1 A 17 17 GLU C C 17 176.975 177.843 -0.868 1
1 97 . 7 1 1 A 18 18 CYS N N 18 114.669 114.663 0.006 1
1 98 . 7 1 1 A 18 18 CYS H H 18 7.878 7.959 -0.081 1
1 99 . 7 1 1 A 18 18 CYS CA C 18 58.313 59.314 -1.001 1
1 100 . 7 1 1 A 18 18 CYS HA H 18 5.146 4.727 0.419 1
1 101 . 7 1 1 A 18 18 CYS CB C 18 32.383 30.405 1.978 1
1 103 . 7 1 1 A 18 18 CYS C C 18 176.098 175.709 0.389 1
1 105 . 7 1 1 A 19 19 GLY N N 19 112.778 110.131 2.647 1
1 106 . 7 1 1 A 19 19 GLY H H 19 8.223 7.830 0.393 1
1 107 . 7 1 1 A 19 19 GLY CA C 19 46.159 45.174 0.985 1
1 108 . 7 1 1 A 19 19 GLY HA3 H 19 4.206 4.060 0.146 1
1 109 . 7 1 1 A 19 19 GLY C C 19 174.359 174.128 0.231 1
1 110 . 7 1 1 A 19 19 GLY HA2 H 19 3.866 4.057 -0.191 1
1 111 . 7 1 1 A 20 20 LYS N N 20 122.671 119.382 3.289 1
1 112 . 7 1 1 A 20 20 LYS H H 20 7.991 7.944 0.047 1
1 113 . 7 1 1 A 20 20 LYS CA C 20 57.994 54.918 3.076 1
1 114 . 7 1 1 A 20 20 LYS HA H 20 4.072 4.583 -0.511 1
1 115 . 7 1 1 A 20 20 LYS CB C 20 34.147 34.274 -0.127 1
1 123 . 7 1 1 A 20 20 LYS C C 20 174.631 175.371 -0.740 1
1 128 . 7 1 1 A 21 21 THR N N 21 109.348 111.367 -2.019 1
1 129 . 7 1 1 A 21 21 THR H H 21 7.448 8.472 -1.024 1
1 130 . 7 1 1 A 21 21 THR CA C 21 59.261 59.167 0.094 1
1 131 . 7 1 1 A 21 21 THR HA H 21 4.996 5.161 -0.165 1
1 132 . 7 1 1 A 21 21 THR CB C 21 71.388 72.414 -1.026 1
1 138 . 7 1 1 A 21 21 THR C C 21 173.342 173.103 0.239 1
1 139 . 7 1 1 A 22 22 PHE N N 22 116.768 118.625 -1.857 1
1 140 . 7 1 1 A 22 22 PHE H H 22 8.559 8.378 0.181 1
1 141 . 7 1 1 A 22 22 PHE CA C 22 57.038 56.596 0.442 1
1 142 . 7 1 1 A 22 22 PHE HA H 22 4.860 4.949 -0.089 1
1 143 . 7 1 1 A 22 22 PHE CB C 22 43.966 42.822 1.144 1
1 155 . 7 1 1 A 22 22 PHE C C 22 175.846 175.819 0.027 1
1 157 . 7 1 1 A 23 23 SER N N 23 115.194 117.789 -2.595 1
1 158 . 7 1 1 A 23 23 SER H H 23 9.413 8.819 0.594 1
1 159 . 7 1 1 A 23 23 SER CA C 23 60.308 61.815 -1.507 1
1 160 . 7 1 1 A 23 23 SER HA H 23 4.613 4.452 0.161 1
1 161 . 7 1 1 A 23 23 SER CB C 23 64.352 63.255 1.097 1
1 163 . 7 1 1 A 23 23 SER C C 23 174.181 174.680 -0.499 1
1 165 . 7 1 1 A 24 24 GLN N N 24 115.115 117.782 -2.667 1
1 166 . 7 1 1 A 24 24 GLN H H 24 7.028 7.624 -0.596 1
1 167 . 7 1 1 A 24 24 GLN CA C 24 54.225 54.152 0.073 1
1 168 . 7 1 1 A 24 24 GLN HA H 24 4.827 4.859 -0.032 1
1 169 . 7 1 1 A 24 24 GLN CB C 24 33.411 31.556 1.855 1
1 176 . 7 1 1 A 24 24 GLN C C 24 175.822 175.653 0.169 1
1 179 . 7 1 1 A 25 25 LYS N N 25 126.960 121.073 5.887 1
1 180 . 7 1 1 A 25 25 LYS H H 25 8.655 8.330 0.325 1
1 181 . 7 1 1 A 25 25 LYS CA C 25 59.663 58.879 0.784 1
1 182 . 7 1 1 A 25 25 LYS HA H 25 3.181 3.260 -0.079 1
1 183 . 7 1 1 A 25 25 LYS CB C 25 31.726 31.641 0.085 1
1 191 . 7 1 1 A 25 25 LYS C C 25 178.371 177.694 0.677 1
1 196 . 7 1 1 A 26 26 SER CA C 26 60.933 61.347 -0.414 1
1 197 . 7 1 1 A 26 26 SER HA H 26 4.054 4.032 0.022 1
1 198 . 7 1 1 A 26 26 SER CB C 26 61.498 63.000 -1.502 1
1 200 . 7 1 1 A 26 26 SER C C 26 176.882 176.875 0.007 1
1 202 . 7 1 1 A 27 27 ILE N N 27 123.952 121.198 2.754 1
1 203 . 7 1 1 A 27 27 ILE H H 27 6.655 7.544 -0.889 1
1 204 . 7 1 1 A 27 27 ILE CA C 27 63.774 64.084 -0.310 1
1 205 . 7 1 1 A 27 27 ILE HA H 27 3.765 3.748 0.017 1
1 206 . 7 1 1 A 27 27 ILE CB C 27 38.081 38.101 -0.020 1
1 218 . 7 1 1 A 27 27 ILE C C 27 178.456 177.454 1.002 1
1 220 . 7 1 1 A 28 28 LEU N N 28 122.282 121.394 0.888 1
1 221 . 7 1 1 A 28 28 LEU H H 28 7.190 7.434 -0.244 1
1 222 . 7 1 1 A 28 28 LEU CA C 28 58.277 57.730 0.547 1
1 223 . 7 1 1 A 28 28 LEU HA H 28 3.322 2.707 0.615 1
1 224 . 7 1 1 A 28 28 LEU CB C 28 40.085 41.203 -1.118 1
1 236 . 7 1 1 A 28 28 LEU C C 28 178.134 178.107 0.027 1
1 238 . 7 1 1 A 29 29 SER N N 29 114.752 114.021 0.731 1
1 239 . 7 1 1 A 29 29 SER H H 29 8.638 8.412 0.226 1
1 240 . 7 1 1 A 29 29 SER CA C 29 61.900 61.683 0.217 1
1 241 . 7 1 1 A 29 29 SER HA H 29 4.264 3.987 0.277 1
1 242 . 7 1 1 A 29 29 SER CB C 29 62.385 62.960 -0.575 1
1 244 . 7 1 1 A 29 29 SER C C 29 176.967 176.891 0.076 1
1 246 . 7 1 1 A 30 30 ALA N N 30 122.806 122.564 0.242 1
1 247 . 7 1 1 A 30 30 ALA H H 30 7.393 8.001 -0.608 1
1 248 . 7 1 1 A 30 30 ALA CA C 30 55.041 55.355 -0.314 1
1 249 . 7 1 1 A 30 30 ALA HA H 30 4.023 3.985 0.038 1
1 250 . 7 1 1 A 30 30 ALA CB C 30 17.887 18.319 -0.432 1
1 254 . 7 1 1 A 30 30 ALA C C 30 180.298 179.820 0.478 1
1 255 . 7 1 1 A 31 31 HIS N N 31 118.698 117.375 1.323 1
1 256 . 7 1 1 A 31 31 HIS H H 31 7.914 7.721 0.193 1
1 257 . 7 1 1 A 31 31 HIS CA C 31 59.052 59.885 -0.833 1
1 258 . 7 1 1 A 31 31 HIS HA H 31 4.208 4.119 0.089 1
1 259 . 7 1 1 A 31 31 HIS CB C 31 27.517 29.334 -1.817 1
1 265 . 7 1 1 A 31 31 HIS C C 31 178.351 177.439 0.912 1
1 267 . 7 1 1 A 32 32 GLN N N 32 120.686 118.877 1.809 1
1 268 . 7 1 1 A 32 32 GLN H H 32 8.890 7.963 0.927 1
1 269 . 7 1 1 A 32 32 GLN CA C 32 59.965 59.108 0.857 1
1 270 . 7 1 1 A 32 32 GLN HA H 32 3.709 4.091 -0.382 1
1 271 . 7 1 1 A 32 32 GLN CB C 32 28.290 28.294 -0.004 1
1 278 . 7 1 1 A 32 32 GLN C C 32 178.061 178.922 -0.861 1
1 281 . 7 1 1 A 33 33 ARG N N 33 117.052 120.266 -3.214 1
1 282 . 7 1 1 A 33 33 ARG H H 33 7.224 8.081 -0.857 1
1 283 . 7 1 1 A 33 33 ARG CA C 33 58.375 59.315 -0.940 1
1 284 . 7 1 1 A 33 33 ARG HA H 33 4.174 4.016 0.158 1
1 285 . 7 1 1 A 33 33 ARG CB C 33 29.947 30.069 -0.122 1
1 291 . 7 1 1 A 33 33 ARG C C 33 178.118 179.016 -0.898 1
1 295 . 7 1 1 A 34 34 THR N N 34 109.534 114.612 -5.078 1
1 296 . 7 1 1 A 34 34 THR H H 34 7.712 7.666 0.046 1
1 297 . 7 1 1 A 34 34 THR CA C 34 63.776 64.725 -0.949 1
1 298 . 7 1 1 A 34 34 THR HA H 34 4.151 3.963 0.188 1
1 299 . 7 1 1 A 34 34 THR CB C 34 69.225 68.699 0.526 1
1 305 . 7 1 1 A 34 34 THR C C 34 175.617 176.159 -0.542 1
1 306 . 7 1 1 A 35 35 HIS N N 35 118.842 118.394 0.448 1
1 307 . 7 1 1 A 35 35 HIS H H 35 7.161 7.969 -0.808 1
1 308 . 7 1 1 A 35 35 HIS CA C 35 55.580 59.217 -3.637 1
1 309 . 7 1 1 A 35 35 HIS HA H 35 4.870 4.282 0.588 1
1 310 . 7 1 1 A 35 35 HIS CB C 35 28.690 30.909 -2.219 1
1 316 . 7 1 1 A 35 35 HIS C C 35 175.646 176.371 -0.725 1
1 318 . 7 1 1 A 36 36 THR N N 36 112.395 110.891 1.504 1
1 319 . 7 1 1 A 36 36 THR H H 36 7.833 7.687 0.146 1
1 320 . 7 1 1 A 36 36 THR CA C 36 62.278 61.112 1.166 1
1 321 . 7 1 1 A 36 36 THR HA H 36 4.358 4.460 -0.102 1
1 322 . 7 1 1 A 36 36 THR CB C 36 69.765 68.758 1.007 1
1 328 . 7 1 1 A 36 36 THR C C 36 175.309 173.889 1.420 1
1 329 . 7 1 1 A 37 37 GLY N N 37 110.931 111.166 -0.235 1
1 330 . 7 1 1 A 37 37 GLY H H 37 8.319 7.915 0.404 1
1 331 . 7 1 1 A 37 37 GLY CA C 37 45.329 45.048 0.281 1
1 332 . 7 1 1 A 37 37 GLY HA3 H 37 3.949 4.123 -0.174 1
1 333 . 7 1 1 A 37 37 GLY C C 37 174.050 172.110 1.940 1
1 334 . 7 1 1 A 37 37 GLY HA2 H 37 4.011 4.113 -0.102 1
1 335 . 7 1 1 A 38 38 GLU N N 38 120.677 125.624 -4.947 1
1 336 . 7 1 1 A 38 38 GLU H H 38 8.142 8.813 -0.671 1
1 337 . 7 1 1 A 38 38 GLU CA C 38 56.428 55.860 0.568 1
1 338 . 7 1 1 A 38 38 GLU HA H 38 4.236 4.663 -0.427 1
1 339 . 7 1 1 A 38 38 GLU CB C 38 30.536 30.730 -0.194 1
1 343 . 7 1 1 A 38 38 GLU C C 38 176.283 176.418 -0.135 1
1 346 . 7 1 1 A 39 39 LYS N N 39 123.903 123.975 -0.072 1
1 347 . 7 1 1 A 39 39 LYS H H 39 8.440 8.669 -0.229 1
1 348 . 7 1 1 A 39 39 LYS CA C 39 54.128 54.461 -0.333 1
1 349 . 7 1 1 A 39 39 LYS HA H 39 4.602 4.721 -0.119 1
1 350 . 7 1 1 A 39 39 LYS CB C 39 32.498 32.894 -0.396 1
1 357 . 7 1 1 A 39 39 LYS C C 39 174.462 176.303 -1.841 1
1 362 . 7 1 1 A 40 40 PRO CA C 40 63.208 65.170 -1.962 1
1 363 . 7 1 1 A 40 40 PRO HA H 40 4.456 4.371 0.085 1
1 364 . 7 1 1 A 40 40 PRO CB C 40 32.188 31.870 0.318 1
1 1 . 8 1 1 A 9 9 GLY CA C 9 45.275 45.410 -0.135 1
1 2 . 8 1 1 A 9 9 GLY HA3 H 9 3.928 4.086 -0.158 1
1 3 . 8 1 1 A 9 9 GLY C C 9 174.122 174.345 -0.223 1
1 4 . 8 1 1 A 9 9 GLY HA2 H 9 3.928 4.083 -0.155 1
1 5 . 8 1 1 A 10 10 GLU N N 10 120.285 119.525 0.760 1
1 6 . 8 1 1 A 10 10 GLU H H 10 8.221 8.217 0.004 1
1 7 . 8 1 1 A 10 10 GLU CA C 10 56.848 54.703 2.145 1
1 8 . 8 1 1 A 10 10 GLU HA H 10 4.171 4.623 -0.452 1
1 9 . 8 1 1 A 10 10 GLU CB C 10 30.334 29.833 0.501 1
1 13 . 8 1 1 A 10 10 GLU C C 10 176.429 176.139 0.290 1
1 16 . 8 1 1 A 11 11 LYS N N 11 121.992 123.861 -1.869 1
1 17 . 8 1 1 A 11 11 LYS H H 11 8.280 8.754 -0.474 1
1 18 . 8 1 1 A 11 11 LYS CA C 11 53.934 56.926 -2.992 1
1 19 . 8 1 1 A 11 11 LYS HA H 11 4.454 4.199 0.255 1
1 20 . 8 1 1 A 11 11 LYS CB C 11 32.677 30.426 2.251 1
1 28 . 8 1 1 A 11 11 LYS C C 11 174.147 176.773 -2.626 1
1 33 . 8 1 1 A 12 12 PRO CA C 12 63.503 64.592 -1.089 1
1 34 . 8 1 1 A 12 12 PRO HA H 12 4.262 4.519 -0.257 1
1 35 . 8 1 1 A 12 12 PRO CB C 12 32.320 31.353 0.967 1
1 41 . 8 1 1 A 12 12 PRO C C 12 176.429 175.824 0.605 1
1 45 . 8 1 1 A 13 13 TYR N N 13 118.187 119.147 -0.960 1
1 46 . 8 1 1 A 13 13 TYR H H 13 7.892 7.755 0.137 1
1 47 . 8 1 1 A 13 13 TYR CA C 13 57.274 56.820 0.454 1
1 48 . 8 1 1 A 13 13 TYR HA H 13 4.663 4.893 -0.230 1
1 49 . 8 1 1 A 13 13 TYR CB C 13 38.361 40.559 -2.198 1
1 59 . 8 1 1 A 13 13 TYR C C 13 175.189 175.914 -0.725 1
1 61 . 8 1 1 A 14 14 GLY N N 14 111.782 110.091 1.691 1
1 62 . 8 1 1 A 14 14 GLY H H 14 8.597 8.995 -0.398 1
1 63 . 8 1 1 A 14 14 GLY CA C 14 44.676 45.046 -0.370 1
1 64 . 8 1 1 A 14 14 GLY HA3 H 14 4.797 4.341 0.456 1
1 65 . 8 1 1 A 14 14 GLY C C 14 172.271 173.627 -1.356 1
1 66 . 8 1 1 A 14 14 GLY HA2 H 14 3.615 4.313 -0.698 1
1 67 . 8 1 1 A 15 15 CYS N N 15 123.965 125.368 -1.403 1
1 68 . 8 1 1 A 15 15 CYS H H 15 8.968 9.225 -0.257 1
1 69 . 8 1 1 A 15 15 CYS CA C 15 58.757 60.122 -1.365 1
1 70 . 8 1 1 A 15 15 CYS HA H 15 4.630 4.448 0.182 1
1 71 . 8 1 1 A 15 15 CYS CB C 15 30.011 28.753 1.258 1
1 73 . 8 1 1 A 15 15 CYS C C 15 176.914 176.155 0.759 1
1 75 . 8 1 1 A 16 16 ASN N N 16 129.827 126.840 2.987 1
1 76 . 8 1 1 A 16 16 ASN H H 16 9.362 9.148 0.214 1
1 77 . 8 1 1 A 16 16 ASN CA C 16 55.380 52.310 3.070 1
1 78 . 8 1 1 A 16 16 ASN HA H 16 4.544 4.895 -0.351 1
1 79 . 8 1 1 A 16 16 ASN CB C 16 38.240 37.571 0.669 1
1 84 . 8 1 1 A 16 16 ASN C C 16 175.456 176.141 -0.685 1
1 86 . 8 1 1 A 17 17 GLU N N 17 121.083 120.459 0.624 1
1 87 . 8 1 1 A 17 17 GLU H H 17 8.748 7.930 0.818 1
1 88 . 8 1 1 A 17 17 GLU CA C 17 58.345 57.057 1.288 1
1 89 . 8 1 1 A 17 17 GLU HA H 17 4.217 4.498 -0.281 1
1 90 . 8 1 1 A 17 17 GLU CB C 17 29.773 32.142 -2.369 1
1 94 . 8 1 1 A 17 17 GLU C C 17 176.975 177.710 -0.735 1
1 97 . 8 1 1 A 18 18 CYS N N 18 114.669 114.328 0.341 1
1 98 . 8 1 1 A 18 18 CYS H H 18 7.878 7.873 0.005 1
1 99 . 8 1 1 A 18 18 CYS CA C 18 58.313 59.443 -1.130 1
1 100 . 8 1 1 A 18 18 CYS HA H 18 5.146 4.675 0.471 1
1 101 . 8 1 1 A 18 18 CYS CB C 18 32.383 30.335 2.048 1
1 103 . 8 1 1 A 18 18 CYS C C 18 176.098 175.589 0.509 1
1 105 . 8 1 1 A 19 19 GLY N N 19 112.778 110.046 2.732 1
1 106 . 8 1 1 A 19 19 GLY H H 19 8.223 8.081 0.142 1
1 107 . 8 1 1 A 19 19 GLY CA C 19 46.159 45.138 1.021 1
1 108 . 8 1 1 A 19 19 GLY HA3 H 19 4.206 4.053 0.153 1
1 109 . 8 1 1 A 19 19 GLY C C 19 174.359 174.053 0.306 1
1 110 . 8 1 1 A 19 19 GLY HA2 H 19 3.866 4.051 -0.185 1
1 111 . 8 1 1 A 20 20 LYS N N 20 122.671 119.505 3.166 1
1 112 . 8 1 1 A 20 20 LYS H H 20 7.991 7.318 0.673 1
1 113 . 8 1 1 A 20 20 LYS CA C 20 57.994 54.924 3.070 1
1 114 . 8 1 1 A 20 20 LYS HA H 20 4.072 4.346 -0.274 1
1 115 . 8 1 1 A 20 20 LYS CB C 20 34.147 33.342 0.805 1
1 123 . 8 1 1 A 20 20 LYS C C 20 174.631 176.180 -1.549 1
1 128 . 8 1 1 A 21 21 THR N N 21 109.348 114.347 -4.999 1
1 129 . 8 1 1 A 21 21 THR H H 21 7.448 8.292 -0.844 1
1 130 . 8 1 1 A 21 21 THR CA C 21 59.261 59.701 -0.440 1
1 131 . 8 1 1 A 21 21 THR HA H 21 4.996 5.342 -0.346 1
1 132 . 8 1 1 A 21 21 THR CB C 21 71.388 71.411 -0.023 1
1 138 . 8 1 1 A 21 21 THR C C 21 173.342 173.275 0.067 1
1 139 . 8 1 1 A 22 22 PHE N N 22 116.768 118.815 -2.047 1
1 140 . 8 1 1 A 22 22 PHE H H 22 8.559 8.306 0.253 1
1 141 . 8 1 1 A 22 22 PHE CA C 22 57.038 56.755 0.283 1
1 142 . 8 1 1 A 22 22 PHE HA H 22 4.860 4.863 -0.003 1
1 143 . 8 1 1 A 22 22 PHE CB C 22 43.966 42.902 1.064 1
1 155 . 8 1 1 A 22 22 PHE C C 22 175.846 175.827 0.019 1
1 157 . 8 1 1 A 23 23 SER N N 23 115.194 117.679 -2.485 1
1 158 . 8 1 1 A 23 23 SER H H 23 9.413 8.869 0.544 1
1 159 . 8 1 1 A 23 23 SER CA C 23 60.308 62.159 -1.851 1
1 160 . 8 1 1 A 23 23 SER HA H 23 4.613 4.372 0.241 1
1 161 . 8 1 1 A 23 23 SER CB C 23 64.352 63.019 1.333 1
1 163 . 8 1 1 A 23 23 SER C C 23 174.181 174.775 -0.594 1
1 165 . 8 1 1 A 24 24 GLN N N 24 115.115 117.151 -2.036 1
1 166 . 8 1 1 A 24 24 GLN H H 24 7.028 7.594 -0.566 1
1 167 . 8 1 1 A 24 24 GLN CA C 24 54.225 54.193 0.032 1
1 168 . 8 1 1 A 24 24 GLN HA H 24 4.827 4.704 0.123 1
1 169 . 8 1 1 A 24 24 GLN CB C 24 33.411 30.765 2.646 1
1 176 . 8 1 1 A 24 24 GLN C C 24 175.822 175.677 0.145 1
1 179 . 8 1 1 A 25 25 LYS N N 25 126.960 122.303 4.657 1
1 180 . 8 1 1 A 25 25 LYS H H 25 8.655 8.486 0.169 1
1 181 . 8 1 1 A 25 25 LYS CA C 25 59.663 59.834 -0.171 1
1 182 . 8 1 1 A 25 25 LYS HA H 25 3.181 3.380 -0.199 1
1 183 . 8 1 1 A 25 25 LYS CB C 25 31.726 31.511 0.215 1
1 191 . 8 1 1 A 25 25 LYS C C 25 178.371 177.925 0.446 1
1 196 . 8 1 1 A 26 26 SER CA C 26 60.933 61.877 -0.944 1
1 197 . 8 1 1 A 26 26 SER HA H 26 4.054 4.159 -0.105 1
1 198 . 8 1 1 A 26 26 SER CB C 26 61.498 62.859 -1.361 1
1 200 . 8 1 1 A 26 26 SER C C 26 176.882 177.237 -0.355 1
1 202 . 8 1 1 A 27 27 ILE N N 27 123.952 122.266 1.686 1
1 203 . 8 1 1 A 27 27 ILE H H 27 6.655 7.346 -0.691 1
1 204 . 8 1 1 A 27 27 ILE CA C 27 63.774 64.201 -0.427 1
1 205 . 8 1 1 A 27 27 ILE HA H 27 3.765 3.661 0.104 1
1 206 . 8 1 1 A 27 27 ILE CB C 27 38.081 37.719 0.362 1
1 218 . 8 1 1 A 27 27 ILE C C 27 178.456 177.346 1.110 1
1 220 . 8 1 1 A 28 28 LEU N N 28 122.282 121.369 0.913 1
1 221 . 8 1 1 A 28 28 LEU H H 28 7.190 7.261 -0.071 1
1 222 . 8 1 1 A 28 28 LEU CA C 28 58.277 57.741 0.536 1
1 223 . 8 1 1 A 28 28 LEU HA H 28 3.322 3.019 0.303 1
1 224 . 8 1 1 A 28 28 LEU CB C 28 40.085 41.220 -1.135 1
1 236 . 8 1 1 A 28 28 LEU C C 28 178.134 178.360 -0.226 1
1 238 . 8 1 1 A 29 29 SER N N 29 114.752 114.147 0.605 1
1 239 . 8 1 1 A 29 29 SER H H 29 8.638 8.281 0.357 1
1 240 . 8 1 1 A 29 29 SER CA C 29 61.900 61.712 0.188 1
1 241 . 8 1 1 A 29 29 SER HA H 29 4.264 4.023 0.241 1
1 242 . 8 1 1 A 29 29 SER CB C 29 62.385 62.911 -0.526 1
1 244 . 8 1 1 A 29 29 SER C C 29 176.967 177.092 -0.125 1
1 246 . 8 1 1 A 30 30 ALA N N 30 122.806 122.342 0.464 1
1 247 . 8 1 1 A 30 30 ALA H H 30 7.393 7.926 -0.533 1
1 248 . 8 1 1 A 30 30 ALA CA C 30 55.041 55.141 -0.100 1
1 249 . 8 1 1 A 30 30 ALA HA H 30 4.023 3.999 0.024 1
1 250 . 8 1 1 A 30 30 ALA CB C 30 17.887 18.665 -0.778 1
1 254 . 8 1 1 A 30 30 ALA C C 30 180.298 179.432 0.866 1
1 255 . 8 1 1 A 31 31 HIS N N 31 118.698 118.021 0.677 1
1 256 . 8 1 1 A 31 31 HIS H H 31 7.914 7.887 0.027 1
1 257 . 8 1 1 A 31 31 HIS CA C 31 59.052 60.063 -1.011 1
1 258 . 8 1 1 A 31 31 HIS HA H 31 4.208 4.108 0.100 1
1 259 . 8 1 1 A 31 31 HIS CB C 31 27.517 29.860 -2.343 1
1 265 . 8 1 1 A 31 31 HIS C C 31 178.351 177.510 0.841 1
1 267 . 8 1 1 A 32 32 GLN N N 32 120.686 119.012 1.674 1
1 268 . 8 1 1 A 32 32 GLN H H 32 8.890 8.272 0.618 1
1 269 . 8 1 1 A 32 32 GLN CA C 32 59.965 59.324 0.641 1
1 270 . 8 1 1 A 32 32 GLN HA H 32 3.709 4.097 -0.388 1
1 271 . 8 1 1 A 32 32 GLN CB C 32 28.290 28.331 -0.041 1
1 278 . 8 1 1 A 32 32 GLN C C 32 178.061 179.080 -1.019 1
1 281 . 8 1 1 A 33 33 ARG N N 33 117.052 121.052 -4.000 1
1 282 . 8 1 1 A 33 33 ARG H H 33 7.224 7.856 -0.632 1
1 283 . 8 1 1 A 33 33 ARG CA C 33 58.375 59.179 -0.804 1
1 284 . 8 1 1 A 33 33 ARG HA H 33 4.174 4.051 0.123 1
1 285 . 8 1 1 A 33 33 ARG CB C 33 29.947 30.223 -0.276 1
1 291 . 8 1 1 A 33 33 ARG C C 33 178.118 177.281 0.837 1
1 295 . 8 1 1 A 34 34 THR N N 34 109.534 113.633 -4.099 1
1 296 . 8 1 1 A 34 34 THR H H 34 7.712 7.544 0.168 1
1 297 . 8 1 1 A 34 34 THR CA C 34 63.776 62.321 1.455 1
1 298 . 8 1 1 A 34 34 THR HA H 34 4.151 4.301 -0.150 1
1 299 . 8 1 1 A 34 34 THR CB C 34 69.225 68.666 0.559 1
1 305 . 8 1 1 A 34 34 THR C C 34 175.617 174.863 0.754 1
1 306 . 8 1 1 A 35 35 HIS N N 35 118.842 121.185 -2.343 1
1 307 . 8 1 1 A 35 35 HIS H H 35 7.161 7.912 -0.751 1
1 308 . 8 1 1 A 35 35 HIS CA C 35 55.580 55.443 0.137 1
1 309 . 8 1 1 A 35 35 HIS HA H 35 4.870 4.807 0.063 1
1 310 . 8 1 1 A 35 35 HIS CB C 35 28.690 29.494 -0.804 1
1 316 . 8 1 1 A 35 35 HIS C C 35 175.646 174.143 1.503 1
1 318 . 8 1 1 A 36 36 THR N N 36 112.395 110.154 2.241 1
1 319 . 8 1 1 A 36 36 THR H H 36 7.833 7.916 -0.083 1
1 320 . 8 1 1 A 36 36 THR CA C 36 62.278 59.862 2.416 1
1 321 . 8 1 1 A 36 36 THR HA H 36 4.358 4.975 -0.617 1
1 322 . 8 1 1 A 36 36 THR CB C 36 69.765 71.518 -1.753 1
1 328 . 8 1 1 A 36 36 THR C C 36 175.309 173.955 1.354 1
1 329 . 8 1 1 A 37 37 GLY N N 37 110.931 113.830 -2.899 1
1 330 . 8 1 1 A 37 37 GLY H H 37 8.319 8.745 -0.426 1
1 331 . 8 1 1 A 37 37 GLY CA C 37 45.329 46.411 -1.082 1
1 332 . 8 1 1 A 37 37 GLY HA3 H 37 3.949 3.959 -0.010 1
1 333 . 8 1 1 A 37 37 GLY C C 37 174.050 174.259 -0.209 1
1 334 . 8 1 1 A 37 37 GLY HA2 H 37 4.011 3.954 0.057 1
1 335 . 8 1 1 A 38 38 GLU N N 38 120.677 120.325 0.352 1
1 336 . 8 1 1 A 38 38 GLU H H 38 8.142 7.753 0.389 1
1 337 . 8 1 1 A 38 38 GLU CA C 38 56.428 55.395 1.033 1
1 338 . 8 1 1 A 38 38 GLU HA H 38 4.236 4.704 -0.468 1
1 339 . 8 1 1 A 38 38 GLU CB C 38 30.536 29.857 0.679 1
1 343 . 8 1 1 A 38 38 GLU C C 38 176.283 174.678 1.605 1
1 346 . 8 1 1 A 39 39 LYS N N 39 123.903 121.504 2.399 1
1 347 . 8 1 1 A 39 39 LYS H H 39 8.440 8.355 0.085 1
1 348 . 8 1 1 A 39 39 LYS CA C 39 54.128 54.999 -0.871 1
1 349 . 8 1 1 A 39 39 LYS HA H 39 4.602 4.755 -0.153 1
1 350 . 8 1 1 A 39 39 LYS CB C 39 32.498 34.816 -2.318 1
1 357 . 8 1 1 A 39 39 LYS C C 39 174.462 173.333 1.129 1
1 362 . 8 1 1 A 40 40 PRO CA C 40 63.208 62.267 0.941 1
1 363 . 8 1 1 A 40 40 PRO HA H 40 4.456 4.779 -0.323 1
1 364 . 8 1 1 A 40 40 PRO CB C 40 32.188 29.989 2.199 1
1 1 . 9 1 1 A 9 9 GLY CA C 9 45.275 45.759 -0.484 1
1 2 . 9 1 1 A 9 9 GLY HA3 H 9 3.928 4.124 -0.196 1
1 3 . 9 1 1 A 9 9 GLY C C 9 174.122 175.344 -1.222 1
1 4 . 9 1 1 A 9 9 GLY HA2 H 9 3.928 4.124 -0.196 1
1 5 . 9 1 1 A 10 10 GLU N N 10 120.285 118.276 2.009 1
1 6 . 9 1 1 A 10 10 GLU H H 10 8.221 8.462 -0.241 1
1 7 . 9 1 1 A 10 10 GLU CA C 10 56.848 59.389 -2.541 1
1 8 . 9 1 1 A 10 10 GLU HA H 10 4.171 4.172 -0.001 1
1 9 . 9 1 1 A 10 10 GLU CB C 10 30.334 30.048 0.286 1
1 13 . 9 1 1 A 10 10 GLU C C 10 176.429 177.073 -0.644 1
1 16 . 9 1 1 A 11 11 LYS N N 11 121.992 120.178 1.814 1
1 17 . 9 1 1 A 11 11 LYS H H 11 8.280 8.008 0.272 1
1 18 . 9 1 1 A 11 11 LYS CA C 11 53.934 53.901 0.033 1
1 19 . 9 1 1 A 11 11 LYS HA H 11 4.454 4.850 -0.396 1
1 20 . 9 1 1 A 11 11 LYS CB C 11 32.677 33.129 -0.452 1
1 28 . 9 1 1 A 11 11 LYS C C 11 174.147 174.745 -0.598 1
1 33 . 9 1 1 A 12 12 PRO CA C 12 63.503 63.954 -0.451 1
1 34 . 9 1 1 A 12 12 PRO HA H 12 4.262 4.427 -0.165 1
1 35 . 9 1 1 A 12 12 PRO CB C 12 32.320 31.497 0.823 1
1 41 . 9 1 1 A 12 12 PRO C C 12 176.429 175.615 0.814 1
1 45 . 9 1 1 A 13 13 TYR N N 13 118.187 119.832 -1.645 1
1 46 . 9 1 1 A 13 13 TYR H H 13 7.892 7.054 0.838 1
1 47 . 9 1 1 A 13 13 TYR CA C 13 57.274 56.591 0.683 1
1 48 . 9 1 1 A 13 13 TYR HA H 13 4.663 5.095 -0.432 1
1 49 . 9 1 1 A 13 13 TYR CB C 13 38.361 40.489 -2.128 1
1 59 . 9 1 1 A 13 13 TYR C C 13 175.189 175.170 0.019 1
1 61 . 9 1 1 A 14 14 GLY N N 14 111.782 111.398 0.384 1
1 62 . 9 1 1 A 14 14 GLY H H 14 8.597 9.053 -0.456 1
1 63 . 9 1 1 A 14 14 GLY CA C 14 44.676 44.391 0.285 1
1 64 . 9 1 1 A 14 14 GLY HA3 H 14 4.797 4.401 0.396 1
1 65 . 9 1 1 A 14 14 GLY C C 14 172.271 172.307 -0.036 1
1 66 . 9 1 1 A 14 14 GLY HA2 H 14 3.615 4.353 -0.738 1
1 67 . 9 1 1 A 15 15 CYS N N 15 123.965 121.807 2.158 1
1 68 . 9 1 1 A 15 15 CYS H H 15 8.968 8.801 0.167 1
1 69 . 9 1 1 A 15 15 CYS CA C 15 58.757 58.789 -0.032 1
1 70 . 9 1 1 A 15 15 CYS HA H 15 4.630 4.542 0.088 1
1 71 . 9 1 1 A 15 15 CYS CB C 15 30.011 27.443 2.568 1
1 73 . 9 1 1 A 15 15 CYS C C 15 176.914 175.206 1.708 1
1 75 . 9 1 1 A 16 16 ASN N N 16 129.827 125.979 3.848 1
1 76 . 9 1 1 A 16 16 ASN H H 16 9.362 8.691 0.671 1
1 77 . 9 1 1 A 16 16 ASN CA C 16 55.380 56.565 -1.185 1
1 78 . 9 1 1 A 16 16 ASN HA H 16 4.544 4.325 0.219 1
1 79 . 9 1 1 A 16 16 ASN CB C 16 38.240 38.078 0.162 1
1 84 . 9 1 1 A 16 16 ASN C C 16 175.456 176.948 -1.492 1
1 86 . 9 1 1 A 17 17 GLU N N 17 121.083 118.498 2.585 1
1 87 . 9 1 1 A 17 17 GLU H H 17 8.748 8.301 0.447 1
1 88 . 9 1 1 A 17 17 GLU CA C 17 58.345 58.903 -0.558 1
1 89 . 9 1 1 A 17 17 GLU HA H 17 4.217 3.984 0.233 1
1 90 . 9 1 1 A 17 17 GLU CB C 17 29.773 28.810 0.963 1
1 94 . 9 1 1 A 17 17 GLU C C 17 176.975 177.975 -1.000 1
1 97 . 9 1 1 A 18 18 CYS N N 18 114.669 114.911 -0.242 1
1 98 . 9 1 1 A 18 18 CYS H H 18 7.878 7.732 0.146 1
1 99 . 9 1 1 A 18 18 CYS CA C 18 58.313 59.652 -1.339 1
1 100 . 9 1 1 A 18 18 CYS HA H 18 5.146 4.595 0.551 1
1 101 . 9 1 1 A 18 18 CYS CB C 18 32.383 29.529 2.854 1
1 103 . 9 1 1 A 18 18 CYS C C 18 176.098 175.335 0.763 1
1 105 . 9 1 1 A 19 19 GLY N N 19 112.778 109.476 3.302 1
1 106 . 9 1 1 A 19 19 GLY H H 19 8.223 7.837 0.386 1
1 107 . 9 1 1 A 19 19 GLY CA C 19 46.159 45.392 0.767 1
1 108 . 9 1 1 A 19 19 GLY HA3 H 19 4.206 4.049 0.157 1
1 109 . 9 1 1 A 19 19 GLY C C 19 174.359 174.744 -0.385 1
1 110 . 9 1 1 A 19 19 GLY HA2 H 19 3.866 4.047 -0.181 1
1 111 . 9 1 1 A 20 20 LYS N N 20 122.671 121.363 1.308 1
1 112 . 9 1 1 A 20 20 LYS H H 20 7.991 7.502 0.489 1
1 113 . 9 1 1 A 20 20 LYS CA C 20 57.994 57.308 0.686 1
1 114 . 9 1 1 A 20 20 LYS HA H 20 4.072 4.158 -0.086 1
1 115 . 9 1 1 A 20 20 LYS CB C 20 34.147 33.151 0.996 1
1 123 . 9 1 1 A 20 20 LYS C C 20 174.631 176.424 -1.793 1
1 128 . 9 1 1 A 21 21 THR N N 21 109.348 115.597 -6.249 1
1 129 . 9 1 1 A 21 21 THR H H 21 7.448 8.362 -0.914 1
1 130 . 9 1 1 A 21 21 THR CA C 21 59.261 59.693 -0.432 1
1 131 . 9 1 1 A 21 21 THR HA H 21 4.996 5.598 -0.602 1
1 132 . 9 1 1 A 21 21 THR CB C 21 71.388 71.751 -0.363 1
1 138 . 9 1 1 A 21 21 THR C C 21 173.342 173.674 -0.332 1
1 139 . 9 1 1 A 22 22 PHE N N 22 116.768 117.688 -0.920 1
1 140 . 9 1 1 A 22 22 PHE H H 22 8.559 8.640 -0.081 1
1 141 . 9 1 1 A 22 22 PHE CA C 22 57.038 56.638 0.400 1
1 142 . 9 1 1 A 22 22 PHE HA H 22 4.860 4.930 -0.070 1
1 143 . 9 1 1 A 22 22 PHE CB C 22 43.966 43.447 0.519 1
1 155 . 9 1 1 A 22 22 PHE C C 22 175.846 175.916 -0.070 1
1 157 . 9 1 1 A 23 23 SER N N 23 115.194 115.504 -0.310 1
1 158 . 9 1 1 A 23 23 SER H H 23 9.413 8.931 0.482 1
1 159 . 9 1 1 A 23 23 SER CA C 23 60.308 60.779 -0.471 1
1 160 . 9 1 1 A 23 23 SER HA H 23 4.613 4.493 0.120 1
1 161 . 9 1 1 A 23 23 SER CB C 23 64.352 63.480 0.872 1
1 163 . 9 1 1 A 23 23 SER C C 23 174.181 174.738 -0.557 1
1 165 . 9 1 1 A 24 24 GLN N N 24 115.115 117.286 -2.171 1
1 166 . 9 1 1 A 24 24 GLN H H 24 7.028 7.572 -0.544 1
1 167 . 9 1 1 A 24 24 GLN CA C 24 54.225 53.512 0.713 1
1 168 . 9 1 1 A 24 24 GLN HA H 24 4.827 4.300 0.527 1
1 169 . 9 1 1 A 24 24 GLN CB C 24 33.411 31.419 1.992 1
1 176 . 9 1 1 A 24 24 GLN C C 24 175.822 175.437 0.385 1
1 179 . 9 1 1 A 25 25 LYS N N 25 126.960 120.348 6.612 1
1 180 . 9 1 1 A 25 25 LYS H H 25 8.655 8.145 0.510 1
1 181 . 9 1 1 A 25 25 LYS CA C 25 59.663 58.587 1.076 1
1 182 . 9 1 1 A 25 25 LYS HA H 25 3.181 3.527 -0.346 1
1 183 . 9 1 1 A 25 25 LYS CB C 25 31.726 31.741 -0.015 1
1 191 . 9 1 1 A 25 25 LYS C C 25 178.371 178.211 0.160 1
1 196 . 9 1 1 A 26 26 SER CA C 26 60.933 62.513 -1.580 1
1 197 . 9 1 1 A 26 26 SER HA H 26 4.054 4.000 0.054 1
1 198 . 9 1 1 A 26 26 SER CB C 26 61.498 62.961 -1.463 1
1 200 . 9 1 1 A 26 26 SER C C 26 176.882 176.243 0.639 1
1 202 . 9 1 1 A 27 27 ILE N N 27 123.952 120.677 3.275 1
1 203 . 9 1 1 A 27 27 ILE H H 27 6.655 7.421 -0.766 1
1 204 . 9 1 1 A 27 27 ILE CA C 27 63.774 63.926 -0.152 1
1 205 . 9 1 1 A 27 27 ILE HA H 27 3.765 3.748 0.017 1
1 206 . 9 1 1 A 27 27 ILE CB C 27 38.081 37.775 0.306 1
1 218 . 9 1 1 A 27 27 ILE C C 27 178.456 177.624 0.832 1
1 220 . 9 1 1 A 28 28 LEU N N 28 122.282 121.161 1.121 1
1 221 . 9 1 1 A 28 28 LEU H H 28 7.190 7.290 -0.100 1
1 222 . 9 1 1 A 28 28 LEU CA C 28 58.277 57.262 1.015 1
1 223 . 9 1 1 A 28 28 LEU HA H 28 3.322 2.670 0.652 1
1 224 . 9 1 1 A 28 28 LEU CB C 28 40.085 41.440 -1.355 1
1 236 . 9 1 1 A 28 28 LEU C C 28 178.134 178.491 -0.357 1
1 238 . 9 1 1 A 29 29 SER N N 29 114.752 114.202 0.550 1
1 239 . 9 1 1 A 29 29 SER H H 29 8.638 8.398 0.240 1
1 240 . 9 1 1 A 29 29 SER CA C 29 61.900 61.541 0.359 1
1 241 . 9 1 1 A 29 29 SER HA H 29 4.264 3.978 0.286 1
1 242 . 9 1 1 A 29 29 SER CB C 29 62.385 62.915 -0.530 1
1 244 . 9 1 1 A 29 29 SER C C 29 176.967 177.131 -0.164 1
1 246 . 9 1 1 A 30 30 ALA N N 30 122.806 122.809 -0.003 1
1 247 . 9 1 1 A 30 30 ALA H H 30 7.393 7.709 -0.316 1
1 248 . 9 1 1 A 30 30 ALA CA C 30 55.041 55.143 -0.102 1
1 249 . 9 1 1 A 30 30 ALA HA H 30 4.023 4.054 -0.031 1
1 250 . 9 1 1 A 30 30 ALA CB C 30 17.887 18.288 -0.401 1
1 254 . 9 1 1 A 30 30 ALA C C 30 180.298 179.616 0.682 1
1 255 . 9 1 1 A 31 31 HIS N N 31 118.698 117.780 0.918 1
1 256 . 9 1 1 A 31 31 HIS H H 31 7.914 7.454 0.460 1
1 257 . 9 1 1 A 31 31 HIS CA C 31 59.052 59.147 -0.095 1
1 258 . 9 1 1 A 31 31 HIS HA H 31 4.208 4.184 0.024 1
1 259 . 9 1 1 A 31 31 HIS CB C 31 27.517 29.776 -2.259 1
1 265 . 9 1 1 A 31 31 HIS C C 31 178.351 177.008 1.343 1
1 267 . 9 1 1 A 32 32 GLN N N 32 120.686 118.772 1.914 1
1 268 . 9 1 1 A 32 32 GLN H H 32 8.890 7.597 1.293 1
1 269 . 9 1 1 A 32 32 GLN CA C 32 59.965 57.940 2.025 1
1 270 . 9 1 1 A 32 32 GLN HA H 32 3.709 4.200 -0.491 1
1 271 . 9 1 1 A 32 32 GLN CB C 32 28.290 28.655 -0.365 1
1 278 . 9 1 1 A 32 32 GLN C C 32 178.061 178.577 -0.516 1
1 281 . 9 1 1 A 33 33 ARG N N 33 117.052 119.908 -2.856 1
1 282 . 9 1 1 A 33 33 ARG H H 33 7.224 7.470 -0.246 1
1 283 . 9 1 1 A 33 33 ARG CA C 33 58.375 58.855 -0.480 1
1 284 . 9 1 1 A 33 33 ARG HA H 33 4.174 4.117 0.057 1
1 285 . 9 1 1 A 33 33 ARG CB C 33 29.947 30.176 -0.229 1
1 291 . 9 1 1 A 33 33 ARG C C 33 178.118 177.090 1.028 1
1 295 . 9 1 1 A 34 34 THR N N 34 109.534 114.748 -5.214 1
1 296 . 9 1 1 A 34 34 THR H H 34 7.712 7.769 -0.057 1
1 297 . 9 1 1 A 34 34 THR CA C 34 63.776 62.393 1.383 1
1 298 . 9 1 1 A 34 34 THR HA H 34 4.151 4.332 -0.181 1
1 299 . 9 1 1 A 34 34 THR CB C 34 69.225 68.860 0.365 1
1 305 . 9 1 1 A 34 34 THR C C 34 175.617 175.055 0.562 1
1 306 . 9 1 1 A 35 35 HIS N N 35 118.842 120.224 -1.382 1
1 307 . 9 1 1 A 35 35 HIS H H 35 7.161 7.764 -0.603 1
1 308 . 9 1 1 A 35 35 HIS CA C 35 55.580 57.181 -1.601 1
1 309 . 9 1 1 A 35 35 HIS HA H 35 4.870 4.576 0.294 1
1 310 . 9 1 1 A 35 35 HIS CB C 35 28.690 31.692 -3.002 1
1 316 . 9 1 1 A 35 35 HIS C C 35 175.646 174.791 0.855 1
1 318 . 9 1 1 A 36 36 THR N N 36 112.395 112.733 -0.338 1
1 319 . 9 1 1 A 36 36 THR H H 36 7.833 7.828 0.005 1
1 320 . 9 1 1 A 36 36 THR CA C 36 62.278 60.883 1.395 1
1 321 . 9 1 1 A 36 36 THR HA H 36 4.358 4.544 -0.186 1
1 322 . 9 1 1 A 36 36 THR CB C 36 69.765 71.264 -1.499 1
1 328 . 9 1 1 A 36 36 THR C C 36 175.309 175.423 -0.114 1
1 329 . 9 1 1 A 37 37 GLY N N 37 110.931 115.574 -4.643 1
1 330 . 9 1 1 A 37 37 GLY H H 37 8.319 8.417 -0.098 1
1 331 . 9 1 1 A 37 37 GLY CA C 37 45.329 45.399 -0.070 1
1 332 . 9 1 1 A 37 37 GLY HA3 H 37 3.949 4.007 -0.058 1
1 333 . 9 1 1 A 37 37 GLY C C 37 174.050 173.205 0.845 1
1 334 . 9 1 1 A 37 37 GLY HA2 H 37 4.011 4.003 0.008 1
1 335 . 9 1 1 A 38 38 GLU N N 38 120.677 120.760 -0.083 1
1 336 . 9 1 1 A 38 38 GLU H H 38 8.142 8.052 0.090 1
1 337 . 9 1 1 A 38 38 GLU CA C 38 56.428 55.812 0.616 1
1 338 . 9 1 1 A 38 38 GLU HA H 38 4.236 4.648 -0.412 1
1 339 . 9 1 1 A 38 38 GLU CB C 38 30.536 32.772 -2.236 1
1 343 . 9 1 1 A 38 38 GLU C C 38 176.283 174.627 1.656 1
1 346 . 9 1 1 A 39 39 LYS N N 39 123.903 126.777 -2.874 1
1 347 . 9 1 1 A 39 39 LYS H H 39 8.440 8.406 0.034 1
1 348 . 9 1 1 A 39 39 LYS CA C 39 54.128 55.437 -1.309 1
1 349 . 9 1 1 A 39 39 LYS HA H 39 4.602 4.262 0.340 1
1 350 . 9 1 1 A 39 39 LYS CB C 39 32.498 32.029 0.469 1
1 357 . 9 1 1 A 39 39 LYS C C 39 174.462 175.010 -0.548 1
1 362 . 9 1 1 A 40 40 PRO CA C 40 63.208 62.611 0.597 1
1 363 . 9 1 1 A 40 40 PRO HA H 40 4.456 4.600 -0.144 1
1 364 . 9 1 1 A 40 40 PRO CB C 40 32.188 31.354 0.834 1
1 1 . 10 1 1 A 9 9 GLY CA C 9 45.275 44.633 0.642 1
1 2 . 10 1 1 A 9 9 GLY HA3 H 9 3.928 4.107 -0.179 1
1 3 . 10 1 1 A 9 9 GLY C C 9 174.122 174.816 -0.694 1
1 4 . 10 1 1 A 9 9 GLY HA2 H 9 3.928 4.079 -0.151 1
1 5 . 10 1 1 A 10 10 GLU N N 10 120.285 120.875 -0.590 1
1 6 . 10 1 1 A 10 10 GLU H H 10 8.221 8.691 -0.470 1
1 7 . 10 1 1 A 10 10 GLU CA C 10 56.848 57.444 -0.596 1
1 8 . 10 1 1 A 10 10 GLU HA H 10 4.171 4.000 0.171 1
1 9 . 10 1 1 A 10 10 GLU CB C 10 30.334 28.465 1.869 1
1 13 . 10 1 1 A 10 10 GLU C C 10 176.429 175.482 0.947 1
1 16 . 10 1 1 A 11 11 LYS N N 11 121.992 112.579 9.413 1
1 17 . 10 1 1 A 11 11 LYS H H 11 8.280 8.424 -0.144 1
1 18 . 10 1 1 A 11 11 LYS CA C 11 53.934 56.833 -2.899 1
1 19 . 10 1 1 A 11 11 LYS HA H 11 4.454 4.532 -0.078 1
1 20 . 10 1 1 A 11 11 LYS CB C 11 32.677 29.903 2.774 1
1 28 . 10 1 1 A 11 11 LYS C C 11 174.147 176.894 -2.747 1
1 33 . 10 1 1 A 12 12 PRO CA C 12 63.503 64.529 -1.026 1
1 34 . 10 1 1 A 12 12 PRO HA H 12 4.262 4.525 -0.263 1
1 35 . 10 1 1 A 12 12 PRO CB C 12 32.320 31.424 0.896 1
1 41 . 10 1 1 A 12 12 PRO C C 12 176.429 175.820 0.609 1
1 45 . 10 1 1 A 13 13 TYR N N 13 118.187 119.170 -0.983 1
1 46 . 10 1 1 A 13 13 TYR H H 13 7.892 7.719 0.173 1
1 47 . 10 1 1 A 13 13 TYR CA C 13 57.274 56.809 0.465 1
1 48 . 10 1 1 A 13 13 TYR HA H 13 4.663 4.934 -0.271 1
1 49 . 10 1 1 A 13 13 TYR CB C 13 38.361 40.397 -2.036 1
1 59 . 10 1 1 A 13 13 TYR C C 13 175.189 176.101 -0.912 1
1 61 . 10 1 1 A 14 14 GLY N N 14 111.782 110.394 1.388 1
1 62 . 10 1 1 A 14 14 GLY H H 14 8.597 9.001 -0.404 1
1 63 . 10 1 1 A 14 14 GLY CA C 14 44.676 44.928 -0.252 1
1 64 . 10 1 1 A 14 14 GLY HA3 H 14 4.797 4.375 0.422 1
1 65 . 10 1 1 A 14 14 GLY C C 14 172.271 173.443 -1.172 1
1 66 . 10 1 1 A 14 14 GLY HA2 H 14 3.615 4.342 -0.727 1
1 67 . 10 1 1 A 15 15 CYS N N 15 123.965 125.226 -1.261 1
1 68 . 10 1 1 A 15 15 CYS H H 15 8.968 9.122 -0.154 1
1 69 . 10 1 1 A 15 15 CYS CA C 15 58.757 60.016 -1.259 1
1 70 . 10 1 1 A 15 15 CYS HA H 15 4.630 4.484 0.146 1
1 71 . 10 1 1 A 15 15 CYS CB C 15 30.011 28.983 1.028 1
1 73 . 10 1 1 A 15 15 CYS C C 15 176.914 175.557 1.357 1
1 75 . 10 1 1 A 16 16 ASN N N 16 129.827 126.071 3.756 1
1 76 . 10 1 1 A 16 16 ASN H H 16 9.362 8.805 0.557 1
1 77 . 10 1 1 A 16 16 ASN CA C 16 55.380 53.028 2.352 1
1 78 . 10 1 1 A 16 16 ASN HA H 16 4.544 4.892 -0.348 1
1 79 . 10 1 1 A 16 16 ASN CB C 16 38.240 37.776 0.464 1
1 84 . 10 1 1 A 16 16 ASN C C 16 175.456 175.548 -0.092 1
1 86 . 10 1 1 A 17 17 GLU N N 17 121.083 118.478 2.605 1
1 87 . 10 1 1 A 17 17 GLU H H 17 8.748 7.979 0.769 1
1 88 . 10 1 1 A 17 17 GLU CA C 17 58.345 57.159 1.186 1
1 89 . 10 1 1 A 17 17 GLU HA H 17 4.217 4.494 -0.277 1
1 90 . 10 1 1 A 17 17 GLU CB C 17 29.773 31.959 -2.186 1
1 94 . 10 1 1 A 17 17 GLU C C 17 176.975 177.728 -0.753 1
1 97 . 10 1 1 A 18 18 CYS N N 18 114.669 114.603 0.066 1
1 98 . 10 1 1 A 18 18 CYS H H 18 7.878 7.948 -0.070 1
1 99 . 10 1 1 A 18 18 CYS CA C 18 58.313 59.278 -0.965 1
1 100 . 10 1 1 A 18 18 CYS HA H 18 5.146 4.701 0.445 1
1 101 . 10 1 1 A 18 18 CYS CB C 18 32.383 30.144 2.239 1
1 103 . 10 1 1 A 18 18 CYS C C 18 176.098 175.574 0.524 1
1 105 . 10 1 1 A 19 19 GLY N N 19 112.778 110.222 2.556 1
1 106 . 10 1 1 A 19 19 GLY H H 19 8.223 7.629 0.594 1
1 107 . 10 1 1 A 19 19 GLY CA C 19 46.159 45.147 1.012 1
1 108 . 10 1 1 A 19 19 GLY HA3 H 19 4.206 4.056 0.150 1
1 109 . 10 1 1 A 19 19 GLY C C 19 174.359 174.056 0.303 1
1 110 . 10 1 1 A 19 19 GLY HA2 H 19 3.866 4.055 -0.189 1
1 111 . 10 1 1 A 20 20 LYS N N 20 122.671 119.370 3.301 1
1 112 . 10 1 1 A 20 20 LYS H H 20 7.991 7.888 0.103 1
1 113 . 10 1 1 A 20 20 LYS CA C 20 57.994 54.935 3.059 1
1 114 . 10 1 1 A 20 20 LYS HA H 20 4.072 4.565 -0.493 1
1 115 . 10 1 1 A 20 20 LYS CB C 20 34.147 34.283 -0.136 1
1 123 . 10 1 1 A 20 20 LYS C C 20 174.631 175.385 -0.754 1
1 128 . 10 1 1 A 21 21 THR N N 21 109.348 111.374 -2.026 1
1 129 . 10 1 1 A 21 21 THR H H 21 7.448 8.476 -1.028 1
1 130 . 10 1 1 A 21 21 THR CA C 21 59.261 59.169 0.092 1
1 131 . 10 1 1 A 21 21 THR HA H 21 4.996 5.340 -0.344 1
1 132 . 10 1 1 A 21 21 THR CB C 21 71.388 72.317 -0.929 1
1 138 . 10 1 1 A 21 21 THR C C 21 173.342 173.095 0.247 1
1 139 . 10 1 1 A 22 22 PHE N N 22 116.768 118.531 -1.763 1
1 140 . 10 1 1 A 22 22 PHE H H 22 8.559 8.336 0.223 1
1 141 . 10 1 1 A 22 22 PHE CA C 22 57.038 56.889 0.149 1
1 142 . 10 1 1 A 22 22 PHE HA H 22 4.860 4.858 0.002 1
1 143 . 10 1 1 A 22 22 PHE CB C 22 43.966 42.841 1.125 1
1 155 . 10 1 1 A 22 22 PHE C C 22 175.846 175.657 0.189 1
1 157 . 10 1 1 A 23 23 SER N N 23 115.194 118.832 -3.638 1
1 158 . 10 1 1 A 23 23 SER H H 23 9.413 8.772 0.641 1
1 159 . 10 1 1 A 23 23 SER CA C 23 60.308 61.666 -1.358 1
1 160 . 10 1 1 A 23 23 SER HA H 23 4.613 4.377 0.236 1
1 161 . 10 1 1 A 23 23 SER CB C 23 64.352 63.120 1.232 1
1 163 . 10 1 1 A 23 23 SER C C 23 174.181 174.182 -0.001 1
1 165 . 10 1 1 A 24 24 GLN N N 24 115.115 115.710 -0.595 1
1 166 . 10 1 1 A 24 24 GLN H H 24 7.028 7.677 -0.649 1
1 167 . 10 1 1 A 24 24 GLN CA C 24 54.225 54.259 -0.034 1
1 168 . 10 1 1 A 24 24 GLN HA H 24 4.827 4.752 0.075 1
1 169 . 10 1 1 A 24 24 GLN CB C 24 33.411 30.983 2.428 1
1 176 . 10 1 1 A 24 24 GLN C C 24 175.822 176.245 -0.423 1
1 179 . 10 1 1 A 25 25 LYS N N 25 126.960 120.341 6.619 1
1 180 . 10 1 1 A 25 25 LYS H H 25 8.655 8.335 0.320 1
1 181 . 10 1 1 A 25 25 LYS CA C 25 59.663 58.709 0.954 1
1 182 . 10 1 1 A 25 25 LYS HA H 25 3.181 3.436 -0.255 1
1 183 . 10 1 1 A 25 25 LYS CB C 25 31.726 31.553 0.173 1
1 191 . 10 1 1 A 25 25 LYS C C 25 178.371 178.179 0.192 1
1 196 . 10 1 1 A 26 26 SER CA C 26 60.933 61.648 -0.715 1
1 197 . 10 1 1 A 26 26 SER HA H 26 4.054 4.029 0.025 1
1 198 . 10 1 1 A 26 26 SER CB C 26 61.498 62.977 -1.479 1
1 200 . 10 1 1 A 26 26 SER C C 26 176.882 177.069 -0.187 1
1 202 . 10 1 1 A 27 27 ILE N N 27 123.952 120.747 3.205 1
1 203 . 10 1 1 A 27 27 ILE H H 27 6.655 7.735 -1.080 1
1 204 . 10 1 1 A 27 27 ILE CA C 27 63.774 64.592 -0.818 1
1 205 . 10 1 1 A 27 27 ILE HA H 27 3.765 3.616 0.149 1
1 206 . 10 1 1 A 27 27 ILE CB C 27 38.081 37.774 0.307 1
1 218 . 10 1 1 A 27 27 ILE C C 27 178.456 177.590 0.866 1
1 220 . 10 1 1 A 28 28 LEU N N 28 122.282 121.348 0.934 1
1 221 . 10 1 1 A 28 28 LEU H H 28 7.190 7.350 -0.160 1
1 222 . 10 1 1 A 28 28 LEU CA C 28 58.277 57.655 0.622 1
1 223 . 10 1 1 A 28 28 LEU HA H 28 3.322 2.860 0.462 1
1 224 . 10 1 1 A 28 28 LEU CB C 28 40.085 41.080 -0.995 1
1 236 . 10 1 1 A 28 28 LEU C C 28 178.134 178.134 0.000 1
1 238 . 10 1 1 A 29 29 SER N N 29 114.752 114.207 0.545 1
1 239 . 10 1 1 A 29 29 SER H H 29 8.638 8.369 0.269 1
1 240 . 10 1 1 A 29 29 SER CA C 29 61.900 61.671 0.229 1
1 241 . 10 1 1 A 29 29 SER HA H 29 4.264 3.991 0.273 1
1 242 . 10 1 1 A 29 29 SER CB C 29 62.385 62.877 -0.492 1
1 244 . 10 1 1 A 29 29 SER C C 29 176.967 177.060 -0.093 1
1 246 . 10 1 1 A 30 30 ALA N N 30 122.806 122.546 0.260 1
1 247 . 10 1 1 A 30 30 ALA H H 30 7.393 7.424 -0.031 1
1 248 . 10 1 1 A 30 30 ALA CA C 30 55.041 55.265 -0.224 1
1 249 . 10 1 1 A 30 30 ALA HA H 30 4.023 4.001 0.022 1
1 250 . 10 1 1 A 30 30 ALA CB C 30 17.887 18.105 -0.218 1
1 254 . 10 1 1 A 30 30 ALA C C 30 180.298 179.756 0.542 1
1 255 . 10 1 1 A 31 31 HIS N N 31 118.698 117.402 1.296 1
1 256 . 10 1 1 A 31 31 HIS H H 31 7.914 7.594 0.320 1
1 257 . 10 1 1 A 31 31 HIS CA C 31 59.052 59.643 -0.591 1
1 258 . 10 1 1 A 31 31 HIS HA H 31 4.208 4.139 0.069 1
1 259 . 10 1 1 A 31 31 HIS CB C 31 27.517 29.536 -2.019 1
1 265 . 10 1 1 A 31 31 HIS C C 31 178.351 177.336 1.015 1
1 267 . 10 1 1 A 32 32 GLN N N 32 120.686 118.870 1.816 1
1 268 . 10 1 1 A 32 32 GLN H H 32 8.890 7.765 1.125 1
1 269 . 10 1 1 A 32 32 GLN CA C 32 59.965 58.879 1.086 1
1 270 . 10 1 1 A 32 32 GLN HA H 32 3.709 4.170 -0.461 1
1 271 . 10 1 1 A 32 32 GLN CB C 32 28.290 28.190 0.100 1
1 278 . 10 1 1 A 32 32 GLN C C 32 178.061 178.811 -0.750 1
1 281 . 10 1 1 A 33 33 ARG N N 33 117.052 121.018 -3.966 1
1 282 . 10 1 1 A 33 33 ARG H H 33 7.224 7.652 -0.428 1
1 283 . 10 1 1 A 33 33 ARG CA C 33 58.375 59.410 -1.035 1
1 284 . 10 1 1 A 33 33 ARG HA H 33 4.174 4.080 0.094 1
1 285 . 10 1 1 A 33 33 ARG CB C 33 29.947 29.960 -0.013 1
1 291 . 10 1 1 A 33 33 ARG C C 33 178.118 177.370 0.748 1
1 295 . 10 1 1 A 34 34 THR N N 34 109.534 114.498 -4.964 1
1 296 . 10 1 1 A 34 34 THR H H 34 7.712 7.733 -0.021 1
1 297 . 10 1 1 A 34 34 THR CA C 34 63.776 62.503 1.273 1
1 298 . 10 1 1 A 34 34 THR HA H 34 4.151 4.234 -0.083 1
1 299 . 10 1 1 A 34 34 THR CB C 34 69.225 68.653 0.572 1
1 305 . 10 1 1 A 34 34 THR C C 34 175.617 175.016 0.601 1
1 306 . 10 1 1 A 35 35 HIS N N 35 118.842 120.473 -1.631 1
1 307 . 10 1 1 A 35 35 HIS H H 35 7.161 8.001 -0.840 1
1 308 . 10 1 1 A 35 35 HIS CA C 35 55.580 57.224 -1.644 1
1 309 . 10 1 1 A 35 35 HIS HA H 35 4.870 4.580 0.290 1
1 310 . 10 1 1 A 35 35 HIS CB C 35 28.690 31.698 -3.008 1
1 316 . 10 1 1 A 35 35 HIS C C 35 175.646 175.171 0.475 1
1 318 . 10 1 1 A 36 36 THR N N 36 112.395 114.030 -1.635 1
1 319 . 10 1 1 A 36 36 THR H H 36 7.833 7.599 0.234 1
1 320 . 10 1 1 A 36 36 THR CA C 36 62.278 63.370 -1.092 1
1 321 . 10 1 1 A 36 36 THR HA H 36 4.358 3.996 0.362 1
1 322 . 10 1 1 A 36 36 THR CB C 36 69.765 68.525 1.240 1
1 328 . 10 1 1 A 36 36 THR C C 36 175.309 173.935 1.374 1
1 329 . 10 1 1 A 37 37 GLY N N 37 110.931 113.745 -2.814 1
1 330 . 10 1 1 A 37 37 GLY H H 37 8.319 8.391 -0.072 1
1 331 . 10 1 1 A 37 37 GLY CA C 37 45.329 45.841 -0.512 1
1 332 . 10 1 1 A 37 37 GLY HA3 H 37 3.949 4.178 -0.229 1
1 333 . 10 1 1 A 37 37 GLY C C 37 174.050 173.918 0.132 1
1 334 . 10 1 1 A 37 37 GLY HA2 H 37 4.011 4.174 -0.163 1
1 335 . 10 1 1 A 38 38 GLU N N 38 120.677 124.243 -3.566 1
1 336 . 10 1 1 A 38 38 GLU H H 38 8.142 9.172 -1.030 1
1 337 . 10 1 1 A 38 38 GLU CA C 38 56.428 57.423 -0.995 1
1 338 . 10 1 1 A 38 38 GLU HA H 38 4.236 3.991 0.245 1
1 339 . 10 1 1 A 38 38 GLU CB C 38 30.536 28.625 1.911 1
1 343 . 10 1 1 A 38 38 GLU C C 38 176.283 176.015 0.268 1
1 346 . 10 1 1 A 39 39 LYS N N 39 123.903 120.883 3.020 1
1 347 . 10 1 1 A 39 39 LYS H H 39 8.440 7.810 0.630 1
1 348 . 10 1 1 A 39 39 LYS CA C 39 54.128 54.068 0.060 1
1 349 . 10 1 1 A 39 39 LYS HA H 39 4.602 4.627 -0.025 1
1 350 . 10 1 1 A 39 39 LYS CB C 39 32.498 33.847 -1.349 1
1 357 . 10 1 1 A 39 39 LYS C C 39 174.462 175.224 -0.762 1
1 362 . 10 1 1 A 40 40 PRO CA C 40 63.208 62.290 0.918 1
1 363 . 10 1 1 A 40 40 PRO HA H 40 4.456 4.652 -0.196 1
1 364 . 10 1 1 A 40 40 PRO CB C 40 32.188 32.950 -0.762 1
1 1 . 11 1 1 A 9 9 GLY CA C 9 45.275 45.481 -0.206 1
1 2 . 11 1 1 A 9 9 GLY HA3 H 9 3.928 3.977 -0.049 1
1 3 . 11 1 1 A 9 9 GLY C C 9 174.122 176.022 -1.900 1
1 4 . 11 1 1 A 9 9 GLY HA2 H 9 3.928 3.968 -0.040 1
1 5 . 11 1 1 A 10 10 GLU N N 10 120.285 121.490 -1.205 1
1 6 . 11 1 1 A 10 10 GLU H H 10 8.221 8.552 -0.331 1
1 7 . 11 1 1 A 10 10 GLU CA C 10 56.848 59.273 -2.425 1
1 8 . 11 1 1 A 10 10 GLU HA H 10 4.171 4.136 0.035 1
1 9 . 11 1 1 A 10 10 GLU CB C 10 30.334 29.851 0.483 1
1 13 . 11 1 1 A 10 10 GLU C C 10 176.429 177.082 -0.653 1
1 16 . 11 1 1 A 11 11 LYS N N 11 121.992 119.688 2.304 1
1 17 . 11 1 1 A 11 11 LYS H H 11 8.280 8.035 0.245 1
1 18 . 11 1 1 A 11 11 LYS CA C 11 53.934 53.864 0.070 1
1 19 . 11 1 1 A 11 11 LYS HA H 11 4.454 4.889 -0.435 1
1 20 . 11 1 1 A 11 11 LYS CB C 11 32.677 33.183 -0.506 1
1 28 . 11 1 1 A 11 11 LYS C C 11 174.147 174.766 -0.619 1
1 33 . 11 1 1 A 12 12 PRO CA C 12 63.503 64.029 -0.526 1
1 34 . 11 1 1 A 12 12 PRO HA H 12 4.262 4.439 -0.177 1
1 35 . 11 1 1 A 12 12 PRO CB C 12 32.320 31.390 0.930 1
1 41 . 11 1 1 A 12 12 PRO C C 12 176.429 175.676 0.753 1
1 45 . 11 1 1 A 13 13 TYR N N 13 118.187 119.513 -1.326 1
1 46 . 11 1 1 A 13 13 TYR H H 13 7.892 7.540 0.352 1
1 47 . 11 1 1 A 13 13 TYR CA C 13 57.274 56.527 0.747 1
1 48 . 11 1 1 A 13 13 TYR HA H 13 4.663 5.085 -0.422 1
1 49 . 11 1 1 A 13 13 TYR CB C 13 38.361 41.055 -2.694 1
1 59 . 11 1 1 A 13 13 TYR C C 13 175.189 175.444 -0.255 1
1 61 . 11 1 1 A 14 14 GLY N N 14 111.782 110.161 1.621 1
1 62 . 11 1 1 A 14 14 GLY H H 14 8.597 9.017 -0.420 1
1 63 . 11 1 1 A 14 14 GLY CA C 14 44.676 44.754 -0.078 1
1 64 . 11 1 1 A 14 14 GLY HA3 H 14 4.797 4.476 0.321 1
1 65 . 11 1 1 A 14 14 GLY C C 14 172.271 172.582 -0.311 1
1 66 . 11 1 1 A 14 14 GLY HA2 H 14 3.615 4.419 -0.804 1
1 67 . 11 1 1 A 15 15 CYS N N 15 123.965 123.134 0.831 1
1 68 . 11 1 1 A 15 15 CYS H H 15 8.968 8.644 0.324 1
1 69 . 11 1 1 A 15 15 CYS CA C 15 58.757 57.943 0.814 1
1 70 . 11 1 1 A 15 15 CYS HA H 15 4.630 4.591 0.039 1
1 71 . 11 1 1 A 15 15 CYS CB C 15 30.011 26.519 3.492 1
1 73 . 11 1 1 A 15 15 CYS C C 15 176.914 174.780 2.134 1
1 75 . 11 1 1 A 16 16 ASN N N 16 129.827 125.711 4.116 1
1 76 . 11 1 1 A 16 16 ASN H H 16 9.362 8.129 1.233 1
1 77 . 11 1 1 A 16 16 ASN CA C 16 55.380 56.930 -1.550 1
1 78 . 11 1 1 A 16 16 ASN HA H 16 4.544 4.383 0.161 1
1 79 . 11 1 1 A 16 16 ASN CB C 16 38.240 38.416 -0.176 1
1 84 . 11 1 1 A 16 16 ASN C C 16 175.456 177.196 -1.740 1
1 86 . 11 1 1 A 17 17 GLU N N 17 121.083 118.100 2.983 1
1 87 . 11 1 1 A 17 17 GLU H H 17 8.748 8.385 0.363 1
1 88 . 11 1 1 A 17 17 GLU CA C 17 58.345 59.453 -1.108 1
1 89 . 11 1 1 A 17 17 GLU HA H 17 4.217 3.966 0.251 1
1 90 . 11 1 1 A 17 17 GLU CB C 17 29.773 28.912 0.861 1
1 94 . 11 1 1 A 17 17 GLU C C 17 176.975 178.075 -1.100 1
1 97 . 11 1 1 A 18 18 CYS N N 18 114.669 114.468 0.201 1
1 98 . 11 1 1 A 18 18 CYS H H 18 7.878 8.055 -0.177 1
1 99 . 11 1 1 A 18 18 CYS CA C 18 58.313 59.387 -1.074 1
1 100 . 11 1 1 A 18 18 CYS HA H 18 5.146 4.639 0.507 1
1 101 . 11 1 1 A 18 18 CYS CB C 18 32.383 30.020 2.363 1
1 103 . 11 1 1 A 18 18 CYS C C 18 176.098 175.383 0.715 1
1 105 . 11 1 1 A 19 19 GLY N N 19 112.778 110.096 2.682 1
1 106 . 11 1 1 A 19 19 GLY H H 19 8.223 8.413 -0.190 1
1 107 . 11 1 1 A 19 19 GLY CA C 19 46.159 45.157 1.002 1
1 108 . 11 1 1 A 19 19 GLY HA3 H 19 4.206 4.043 0.163 1
1 109 . 11 1 1 A 19 19 GLY C C 19 174.359 174.279 0.080 1
1 110 . 11 1 1 A 19 19 GLY HA2 H 19 3.866 4.042 -0.176 1
1 111 . 11 1 1 A 20 20 LYS N N 20 122.671 119.389 3.282 1
1 112 . 11 1 1 A 20 20 LYS H H 20 7.991 7.890 0.101 1
1 113 . 11 1 1 A 20 20 LYS CA C 20 57.994 55.393 2.601 1
1 114 . 11 1 1 A 20 20 LYS HA H 20 4.072 4.525 -0.453 1
1 115 . 11 1 1 A 20 20 LYS CB C 20 34.147 34.452 -0.305 1
1 123 . 11 1 1 A 20 20 LYS C C 20 174.631 175.343 -0.712 1
1 128 . 11 1 1 A 21 21 THR N N 21 109.348 111.488 -2.140 1
1 129 . 11 1 1 A 21 21 THR H H 21 7.448 8.414 -0.966 1
1 130 . 11 1 1 A 21 21 THR CA C 21 59.261 59.280 -0.019 1
1 131 . 11 1 1 A 21 21 THR HA H 21 4.996 5.329 -0.333 1
1 132 . 11 1 1 A 21 21 THR CB C 21 71.388 72.209 -0.821 1
1 138 . 11 1 1 A 21 21 THR C C 21 173.342 173.141 0.201 1
1 139 . 11 1 1 A 22 22 PHE N N 22 116.768 119.008 -2.240 1
1 140 . 11 1 1 A 22 22 PHE H H 22 8.559 8.716 -0.157 1
1 141 . 11 1 1 A 22 22 PHE CA C 22 57.038 56.580 0.458 1
1 142 . 11 1 1 A 22 22 PHE HA H 22 4.860 4.909 -0.049 1
1 143 . 11 1 1 A 22 22 PHE CB C 22 43.966 42.785 1.181 1
1 155 . 11 1 1 A 22 22 PHE C C 22 175.846 175.827 0.019 1
1 157 . 11 1 1 A 23 23 SER N N 23 115.194 117.931 -2.737 1
1 158 . 11 1 1 A 23 23 SER H H 23 9.413 8.849 0.564 1
1 159 . 11 1 1 A 23 23 SER CA C 23 60.308 62.023 -1.715 1
1 160 . 11 1 1 A 23 23 SER HA H 23 4.613 4.705 -0.092 1
1 161 . 11 1 1 A 23 23 SER CB C 23 64.352 62.926 1.426 1
1 163 . 11 1 1 A 23 23 SER C C 23 174.181 174.747 -0.566 1
1 165 . 11 1 1 A 24 24 GLN N N 24 115.115 116.958 -1.843 1
1 166 . 11 1 1 A 24 24 GLN H H 24 7.028 7.636 -0.608 1
1 167 . 11 1 1 A 24 24 GLN CA C 24 54.225 53.823 0.402 1
1 168 . 11 1 1 A 24 24 GLN HA H 24 4.827 4.485 0.342 1
1 169 . 11 1 1 A 24 24 GLN CB C 24 33.411 31.327 2.084 1
1 176 . 11 1 1 A 24 24 GLN C C 24 175.822 175.400 0.422 1
1 179 . 11 1 1 A 25 25 LYS N N 25 126.960 120.760 6.200 1
1 180 . 11 1 1 A 25 25 LYS H H 25 8.655 8.001 0.654 1
1 181 . 11 1 1 A 25 25 LYS CA C 25 59.663 58.915 0.748 1
1 182 . 11 1 1 A 25 25 LYS HA H 25 3.181 3.439 -0.258 1
1 183 . 11 1 1 A 25 25 LYS CB C 25 31.726 31.766 -0.040 1
1 191 . 11 1 1 A 25 25 LYS C C 25 178.371 177.713 0.658 1
1 196 . 11 1 1 A 26 26 SER CA C 26 60.933 61.328 -0.395 1
1 197 . 11 1 1 A 26 26 SER HA H 26 4.054 4.068 -0.014 1
1 198 . 11 1 1 A 26 26 SER CB C 26 61.498 63.061 -1.563 1
1 200 . 11 1 1 A 26 26 SER C C 26 176.882 176.770 0.112 1
1 202 . 11 1 1 A 27 27 ILE N N 27 123.952 121.532 2.420 1
1 203 . 11 1 1 A 27 27 ILE H H 27 6.655 7.533 -0.878 1
1 204 . 11 1 1 A 27 27 ILE CA C 27 63.774 64.145 -0.371 1
1 205 . 11 1 1 A 27 27 ILE HA H 27 3.765 3.690 0.075 1
1 206 . 11 1 1 A 27 27 ILE CB C 27 38.081 37.849 0.232 1
1 218 . 11 1 1 A 27 27 ILE C C 27 178.456 177.312 1.144 1
1 220 . 11 1 1 A 28 28 LEU N N 28 122.282 121.312 0.970 1
1 221 . 11 1 1 A 28 28 LEU H H 28 7.190 7.350 -0.160 1
1 222 . 11 1 1 A 28 28 LEU CA C 28 58.277 57.786 0.491 1
1 223 . 11 1 1 A 28 28 LEU HA H 28 3.322 2.838 0.484 1
1 224 . 11 1 1 A 28 28 LEU CB C 28 40.085 41.373 -1.288 1
1 236 . 11 1 1 A 28 28 LEU C C 28 178.134 178.277 -0.143 1
1 238 . 11 1 1 A 29 29 SER N N 29 114.752 113.964 0.788 1
1 239 . 11 1 1 A 29 29 SER H H 29 8.638 8.505 0.133 1
1 240 . 11 1 1 A 29 29 SER CA C 29 61.900 61.612 0.288 1
1 241 . 11 1 1 A 29 29 SER HA H 29 4.264 3.993 0.271 1
1 242 . 11 1 1 A 29 29 SER CB C 29 62.385 62.967 -0.582 1
1 244 . 11 1 1 A 29 29 SER C C 29 176.967 177.013 -0.046 1
1 246 . 11 1 1 A 30 30 ALA N N 30 122.806 123.505 -0.699 1
1 247 . 11 1 1 A 30 30 ALA H H 30 7.393 7.846 -0.453 1
1 248 . 11 1 1 A 30 30 ALA CA C 30 55.041 54.877 0.164 1
1 249 . 11 1 1 A 30 30 ALA HA H 30 4.023 4.103 -0.080 1
1 250 . 11 1 1 A 30 30 ALA CB C 30 17.887 18.296 -0.409 1
1 254 . 11 1 1 A 30 30 ALA C C 30 180.298 180.089 0.209 1
1 255 . 11 1 1 A 31 31 HIS N N 31 118.698 117.772 0.926 1
1 256 . 11 1 1 A 31 31 HIS H H 31 7.914 7.835 0.079 1
1 257 . 11 1 1 A 31 31 HIS CA C 31 59.052 58.963 0.089 1
1 258 . 11 1 1 A 31 31 HIS HA H 31 4.208 4.189 0.019 1
1 259 . 11 1 1 A 31 31 HIS CB C 31 27.517 29.888 -2.371 1
1 265 . 11 1 1 A 31 31 HIS C C 31 178.351 177.043 1.308 1
1 267 . 11 1 1 A 32 32 GLN N N 32 120.686 118.694 1.992 1
1 268 . 11 1 1 A 32 32 GLN H H 32 8.890 7.916 0.974 1
1 269 . 11 1 1 A 32 32 GLN CA C 32 59.965 58.003 1.962 1
1 270 . 11 1 1 A 32 32 GLN HA H 32 3.709 4.253 -0.544 1
1 271 . 11 1 1 A 32 32 GLN CB C 32 28.290 28.236 0.054 1
1 278 . 11 1 1 A 32 32 GLN C C 32 178.061 179.030 -0.969 1
1 281 . 11 1 1 A 33 33 ARG N N 33 117.052 120.282 -3.230 1
1 282 . 11 1 1 A 33 33 ARG H H 33 7.224 7.908 -0.684 1
1 283 . 11 1 1 A 33 33 ARG CA C 33 58.375 59.309 -0.934 1
1 284 . 11 1 1 A 33 33 ARG HA H 33 4.174 4.087 0.087 1
1 285 . 11 1 1 A 33 33 ARG CB C 33 29.947 29.860 0.087 1
1 291 . 11 1 1 A 33 33 ARG C C 33 178.118 177.579 0.539 1
1 295 . 11 1 1 A 34 34 THR N N 34 109.534 114.237 -4.703 1
1 296 . 11 1 1 A 34 34 THR H H 34 7.712 7.933 -0.221 1
1 297 . 11 1 1 A 34 34 THR CA C 34 63.776 62.937 0.839 1
1 298 . 11 1 1 A 34 34 THR HA H 34 4.151 4.220 -0.069 1
1 299 . 11 1 1 A 34 34 THR CB C 34 69.225 68.573 0.652 1
1 305 . 11 1 1 A 34 34 THR C C 34 175.617 174.954 0.663 1
1 306 . 11 1 1 A 35 35 HIS N N 35 118.842 120.319 -1.477 1
1 307 . 11 1 1 A 35 35 HIS H H 35 7.161 7.912 -0.751 1
1 308 . 11 1 1 A 35 35 HIS CA C 35 55.580 54.984 0.596 1
1 309 . 11 1 1 A 35 35 HIS HA H 35 4.870 4.914 -0.044 1
1 310 . 11 1 1 A 35 35 HIS CB C 35 28.690 29.194 -0.504 1
1 316 . 11 1 1 A 35 35 HIS C C 35 175.646 175.198 0.448 1
1 318 . 11 1 1 A 36 36 THR N N 36 112.395 110.405 1.990 1
1 319 . 11 1 1 A 36 36 THR H H 36 7.833 7.832 0.001 1
1 320 . 11 1 1 A 36 36 THR CA C 36 62.278 62.217 0.061 1
1 321 . 11 1 1 A 36 36 THR HA H 36 4.358 4.522 -0.164 1
1 322 . 11 1 1 A 36 36 THR CB C 36 69.765 70.154 -0.389 1
1 328 . 11 1 1 A 36 36 THR C C 36 175.309 175.191 0.118 1
1 329 . 11 1 1 A 37 37 GLY N N 37 110.931 108.580 2.351 1
1 330 . 11 1 1 A 37 37 GLY H H 37 8.319 7.387 0.932 1
1 331 . 11 1 1 A 37 37 GLY CA C 37 45.329 45.881 -0.552 1
1 332 . 11 1 1 A 37 37 GLY HA3 H 37 3.949 4.025 -0.076 1
1 333 . 11 1 1 A 37 37 GLY C C 37 174.050 171.581 2.469 1
1 334 . 11 1 1 A 37 37 GLY HA2 H 37 4.011 4.022 -0.011 1
1 335 . 11 1 1 A 38 38 GLU N N 38 120.677 120.747 -0.070 1
1 336 . 11 1 1 A 38 38 GLU H H 38 8.142 8.531 -0.389 1
1 337 . 11 1 1 A 38 38 GLU CA C 38 56.428 55.143 1.285 1
1 338 . 11 1 1 A 38 38 GLU HA H 38 4.236 4.971 -0.735 1
1 339 . 11 1 1 A 38 38 GLU CB C 38 30.536 31.562 -1.026 1
1 343 . 11 1 1 A 38 38 GLU C C 38 176.283 176.075 0.208 1
1 346 . 11 1 1 A 39 39 LYS N N 39 123.903 125.201 -1.298 1
1 347 . 11 1 1 A 39 39 LYS H H 39 8.440 8.559 -0.119 1
1 348 . 11 1 1 A 39 39 LYS CA C 39 54.128 55.057 -0.929 1
1 349 . 11 1 1 A 39 39 LYS HA H 39 4.602 4.247 0.355 1
1 350 . 11 1 1 A 39 39 LYS CB C 39 32.498 31.814 0.684 1
1 357 . 11 1 1 A 39 39 LYS C C 39 174.462 176.273 -1.811 1
1 362 . 11 1 1 A 40 40 PRO CA C 40 63.208 63.891 -0.683 1
1 363 . 11 1 1 A 40 40 PRO HA H 40 4.456 4.535 -0.079 1
1 364 . 11 1 1 A 40 40 PRO CB C 40 32.188 32.258 -0.070 1
1 1 . 12 1 1 A 9 9 GLY CA C 9 45.275 45.545 -0.270 1
1 2 . 12 1 1 A 9 9 GLY HA3 H 9 3.928 4.010 -0.082 1
1 3 . 12 1 1 A 9 9 GLY C C 9 174.122 172.779 1.343 1
1 4 . 12 1 1 A 9 9 GLY HA2 H 9 3.928 3.997 -0.069 1
1 5 . 12 1 1 A 10 10 GLU N N 10 120.285 124.947 -4.662 1
1 6 . 12 1 1 A 10 10 GLU H H 10 8.221 8.840 -0.619 1
1 7 . 12 1 1 A 10 10 GLU CA C 10 56.848 55.111 1.737 1
1 8 . 12 1 1 A 10 10 GLU HA H 10 4.171 4.516 -0.345 1
1 9 . 12 1 1 A 10 10 GLU CB C 10 30.334 30.125 0.209 1
1 13 . 12 1 1 A 10 10 GLU C C 10 176.429 175.932 0.497 1
1 16 . 12 1 1 A 11 11 LYS N N 11 121.992 124.527 -2.535 1
1 17 . 12 1 1 A 11 11 LYS H H 11 8.280 8.473 -0.193 1
1 18 . 12 1 1 A 11 11 LYS CA C 11 53.934 56.787 -2.853 1
1 19 . 12 1 1 A 11 11 LYS HA H 11 4.454 4.403 0.051 1
1 20 . 12 1 1 A 11 11 LYS CB C 11 32.677 30.272 2.405 1
1 28 . 12 1 1 A 11 11 LYS C C 11 174.147 176.345 -2.198 1
1 33 . 12 1 1 A 12 12 PRO CA C 12 63.503 64.897 -1.394 1
1 34 . 12 1 1 A 12 12 PRO HA H 12 4.262 4.529 -0.267 1
1 35 . 12 1 1 A 12 12 PRO CB C 12 32.320 31.649 0.671 1
1 41 . 12 1 1 A 12 12 PRO C C 12 176.429 175.888 0.541 1
1 45 . 12 1 1 A 13 13 TYR N N 13 118.187 118.726 -0.539 1
1 46 . 12 1 1 A 13 13 TYR H H 13 7.892 7.450 0.442 1
1 47 . 12 1 1 A 13 13 TYR CA C 13 57.274 56.990 0.284 1
1 48 . 12 1 1 A 13 13 TYR HA H 13 4.663 4.869 -0.206 1
1 49 . 12 1 1 A 13 13 TYR CB C 13 38.361 40.372 -2.011 1
1 59 . 12 1 1 A 13 13 TYR C C 13 175.189 176.123 -0.934 1
1 61 . 12 1 1 A 14 14 GLY N N 14 111.782 109.725 2.057 1
1 62 . 12 1 1 A 14 14 GLY H H 14 8.597 8.984 -0.387 1
1 63 . 12 1 1 A 14 14 GLY CA C 14 44.676 44.891 -0.215 1
1 64 . 12 1 1 A 14 14 GLY HA3 H 14 4.797 4.488 0.309 1
1 65 . 12 1 1 A 14 14 GLY C C 14 172.271 173.018 -0.747 1
1 66 . 12 1 1 A 14 14 GLY HA2 H 14 3.615 4.412 -0.797 1
1 67 . 12 1 1 A 15 15 CYS N N 15 123.965 123.836 0.129 1
1 68 . 12 1 1 A 15 15 CYS H H 15 8.968 9.127 -0.159 1
1 69 . 12 1 1 A 15 15 CYS CA C 15 58.757 59.985 -1.228 1
1 70 . 12 1 1 A 15 15 CYS HA H 15 4.630 4.548 0.082 1
1 71 . 12 1 1 A 15 15 CYS CB C 15 30.011 28.963 1.048 1
1 73 . 12 1 1 A 15 15 CYS C C 15 176.914 175.558 1.356 1
1 75 . 12 1 1 A 16 16 ASN N N 16 129.827 126.621 3.206 1
1 76 . 12 1 1 A 16 16 ASN H H 16 9.362 8.947 0.415 1
1 77 . 12 1 1 A 16 16 ASN CA C 16 55.380 55.184 0.196 1
1 78 . 12 1 1 A 16 16 ASN HA H 16 4.544 4.581 -0.037 1
1 79 . 12 1 1 A 16 16 ASN CB C 16 38.240 38.419 -0.179 1
1 84 . 12 1 1 A 16 16 ASN C C 16 175.456 177.570 -2.114 1
1 86 . 12 1 1 A 17 17 GLU N N 17 121.083 120.328 0.755 1
1 87 . 12 1 1 A 17 17 GLU H H 17 8.748 8.118 0.630 1
1 88 . 12 1 1 A 17 17 GLU CA C 17 58.345 58.807 -0.462 1
1 89 . 12 1 1 A 17 17 GLU HA H 17 4.217 3.953 0.264 1
1 90 . 12 1 1 A 17 17 GLU CB C 17 29.773 28.552 1.221 1
1 94 . 12 1 1 A 17 17 GLU C C 17 176.975 178.142 -1.167 1
1 97 . 12 1 1 A 18 18 CYS N N 18 114.669 114.919 -0.250 1
1 98 . 12 1 1 A 18 18 CYS H H 18 7.878 7.736 0.142 1
1 99 . 12 1 1 A 18 18 CYS CA C 18 58.313 59.765 -1.452 1
1 100 . 12 1 1 A 18 18 CYS HA H 18 5.146 4.595 0.551 1
1 101 . 12 1 1 A 18 18 CYS CB C 18 32.383 29.552 2.831 1
1 103 . 12 1 1 A 18 18 CYS C C 18 176.098 175.162 0.936 1
1 105 . 12 1 1 A 19 19 GLY N N 19 112.778 110.035 2.743 1
1 106 . 12 1 1 A 19 19 GLY H H 19 8.223 7.987 0.236 1
1 107 . 12 1 1 A 19 19 GLY CA C 19 46.159 45.044 1.115 1
1 108 . 12 1 1 A 19 19 GLY HA3 H 19 4.206 4.093 0.113 1
1 109 . 12 1 1 A 19 19 GLY C C 19 174.359 174.414 -0.055 1
1 110 . 12 1 1 A 19 19 GLY HA2 H 19 3.866 4.087 -0.221 1
1 111 . 12 1 1 A 20 20 LYS N N 20 122.671 119.684 2.987 1
1 112 . 12 1 1 A 20 20 LYS H H 20 7.991 7.365 0.626 1
1 113 . 12 1 1 A 20 20 LYS CA C 20 57.994 55.979 2.015 1
1 114 . 12 1 1 A 20 20 LYS HA H 20 4.072 4.568 -0.496 1
1 115 . 12 1 1 A 20 20 LYS CB C 20 34.147 34.623 -0.476 1
1 123 . 12 1 1 A 20 20 LYS C C 20 174.631 175.624 -0.993 1
1 128 . 12 1 1 A 21 21 THR N N 21 109.348 111.842 -2.494 1
1 129 . 12 1 1 A 21 21 THR H H 21 7.448 8.671 -1.223 1
1 130 . 12 1 1 A 21 21 THR CA C 21 59.261 59.590 -0.329 1
1 131 . 12 1 1 A 21 21 THR HA H 21 4.996 5.618 -0.622 1
1 132 . 12 1 1 A 21 21 THR CB C 21 71.388 71.897 -0.509 1
1 138 . 12 1 1 A 21 21 THR C C 21 173.342 173.372 -0.030 1
1 139 . 12 1 1 A 22 22 PHE N N 22 116.768 118.720 -1.952 1
1 140 . 12 1 1 A 22 22 PHE H H 22 8.559 8.816 -0.257 1
1 141 . 12 1 1 A 22 22 PHE CA C 22 57.038 56.772 0.266 1
1 142 . 12 1 1 A 22 22 PHE HA H 22 4.860 4.919 -0.059 1
1 143 . 12 1 1 A 22 22 PHE CB C 22 43.966 43.267 0.699 1
1 155 . 12 1 1 A 22 22 PHE C C 22 175.846 175.738 0.108 1
1 157 . 12 1 1 A 23 23 SER N N 23 115.194 118.155 -2.961 1
1 158 . 12 1 1 A 23 23 SER H H 23 9.413 8.977 0.436 1
1 159 . 12 1 1 A 23 23 SER CA C 23 60.308 61.379 -1.071 1
1 160 . 12 1 1 A 23 23 SER HA H 23 4.613 4.451 0.162 1
1 161 . 12 1 1 A 23 23 SER CB C 23 64.352 63.564 0.788 1
1 163 . 12 1 1 A 23 23 SER C C 23 174.181 174.146 0.035 1
1 165 . 12 1 1 A 24 24 GLN N N 24 115.115 114.622 0.493 1
1 166 . 12 1 1 A 24 24 GLN H H 24 7.028 7.594 -0.566 1
1 167 . 12 1 1 A 24 24 GLN CA C 24 54.225 53.824 0.401 1
1 168 . 12 1 1 A 24 24 GLN HA H 24 4.827 4.277 0.550 1
1 169 . 12 1 1 A 24 24 GLN CB C 24 33.411 30.716 2.695 1
1 176 . 12 1 1 A 24 24 GLN C C 24 175.822 175.610 0.212 1
1 179 . 12 1 1 A 25 25 LYS N N 25 126.960 119.749 7.211 1
1 180 . 12 1 1 A 25 25 LYS H H 25 8.655 8.098 0.557 1
1 181 . 12 1 1 A 25 25 LYS CA C 25 59.663 58.916 0.747 1
1 182 . 12 1 1 A 25 25 LYS HA H 25 3.181 3.441 -0.260 1
1 183 . 12 1 1 A 25 25 LYS CB C 25 31.726 32.168 -0.442 1
1 191 . 12 1 1 A 25 25 LYS C C 25 178.371 177.611 0.760 1
1 196 . 12 1 1 A 26 26 SER CA C 26 60.933 61.338 -0.405 1
1 197 . 12 1 1 A 26 26 SER HA H 26 4.054 4.109 -0.055 1
1 198 . 12 1 1 A 26 26 SER CB C 26 61.498 63.090 -1.592 1
1 200 . 12 1 1 A 26 26 SER C C 26 176.882 176.821 0.061 1
1 202 . 12 1 1 A 27 27 ILE N N 27 123.952 121.392 2.560 1
1 203 . 12 1 1 A 27 27 ILE H H 27 6.655 7.624 -0.969 1
1 204 . 12 1 1 A 27 27 ILE CA C 27 63.774 64.415 -0.641 1
1 205 . 12 1 1 A 27 27 ILE HA H 27 3.765 3.750 0.015 1
1 206 . 12 1 1 A 27 27 ILE CB C 27 38.081 37.974 0.107 1
1 218 . 12 1 1 A 27 27 ILE C C 27 178.456 177.628 0.828 1
1 220 . 12 1 1 A 28 28 LEU N N 28 122.282 121.567 0.715 1
1 221 . 12 1 1 A 28 28 LEU H H 28 7.190 7.482 -0.292 1
1 222 . 12 1 1 A 28 28 LEU CA C 28 58.277 57.630 0.647 1
1 223 . 12 1 1 A 28 28 LEU HA H 28 3.322 2.448 0.874 1
1 224 . 12 1 1 A 28 28 LEU CB C 28 40.085 41.176 -1.091 1
1 236 . 12 1 1 A 28 28 LEU C C 28 178.134 178.272 -0.138 1
1 238 . 12 1 1 A 29 29 SER N N 29 114.752 114.050 0.702 1
1 239 . 12 1 1 A 29 29 SER H H 29 8.638 8.427 0.211 1
1 240 . 12 1 1 A 29 29 SER CA C 29 61.900 61.671 0.229 1
1 241 . 12 1 1 A 29 29 SER HA H 29 4.264 3.983 0.281 1
1 242 . 12 1 1 A 29 29 SER CB C 29 62.385 62.947 -0.562 1
1 244 . 12 1 1 A 29 29 SER C C 29 176.967 177.051 -0.084 1
1 246 . 12 1 1 A 30 30 ALA N N 30 122.806 122.501 0.305 1
1 247 . 12 1 1 A 30 30 ALA H H 30 7.393 8.102 -0.709 1
1 248 . 12 1 1 A 30 30 ALA CA C 30 55.041 55.361 -0.320 1
1 249 . 12 1 1 A 30 30 ALA HA H 30 4.023 3.995 0.028 1
1 250 . 12 1 1 A 30 30 ALA CB C 30 17.887 18.400 -0.513 1
1 254 . 12 1 1 A 30 30 ALA C C 30 180.298 179.651 0.647 1
1 255 . 12 1 1 A 31 31 HIS N N 31 118.698 117.672 1.026 1
1 256 . 12 1 1 A 31 31 HIS H H 31 7.914 7.751 0.163 1
1 257 . 12 1 1 A 31 31 HIS CA C 31 59.052 60.040 -0.988 1
1 258 . 12 1 1 A 31 31 HIS HA H 31 4.208 4.198 0.010 1
1 259 . 12 1 1 A 31 31 HIS CB C 31 27.517 29.508 -1.991 1
1 265 . 12 1 1 A 31 31 HIS C C 31 178.351 177.569 0.782 1
1 267 . 12 1 1 A 32 32 GLN N N 32 120.686 118.964 1.722 1
1 268 . 12 1 1 A 32 32 GLN H H 32 8.890 8.110 0.780 1
1 269 . 12 1 1 A 32 32 GLN CA C 32 59.965 59.170 0.795 1
1 270 . 12 1 1 A 32 32 GLN HA H 32 3.709 3.948 -0.239 1
1 271 . 12 1 1 A 32 32 GLN CB C 32 28.290 28.174 0.116 1
1 278 . 12 1 1 A 32 32 GLN C C 32 178.061 178.600 -0.539 1
1 281 . 12 1 1 A 33 33 ARG N N 33 117.052 119.361 -2.309 1
1 282 . 12 1 1 A 33 33 ARG H H 33 7.224 7.680 -0.456 1
1 283 . 12 1 1 A 33 33 ARG CA C 33 58.375 58.722 -0.347 1
1 284 . 12 1 1 A 33 33 ARG HA H 33 4.174 4.095 0.079 1
1 285 . 12 1 1 A 33 33 ARG CB C 33 29.947 30.037 -0.090 1
1 291 . 12 1 1 A 33 33 ARG C C 33 178.118 177.031 1.087 1
1 295 . 12 1 1 A 34 34 THR N N 34 109.534 113.683 -4.149 1
1 296 . 12 1 1 A 34 34 THR H H 34 7.712 7.455 0.257 1
1 297 . 12 1 1 A 34 34 THR CA C 34 63.776 62.226 1.550 1
1 298 . 12 1 1 A 34 34 THR HA H 34 4.151 4.340 -0.189 1
1 299 . 12 1 1 A 34 34 THR CB C 34 69.225 68.875 0.350 1
1 305 . 12 1 1 A 34 34 THR C C 34 175.617 174.899 0.718 1
1 306 . 12 1 1 A 35 35 HIS N N 35 118.842 121.068 -2.226 1
1 307 . 12 1 1 A 35 35 HIS H H 35 7.161 7.716 -0.555 1
1 308 . 12 1 1 A 35 35 HIS CA C 35 55.580 55.114 0.466 1
1 309 . 12 1 1 A 35 35 HIS HA H 35 4.870 4.748 0.122 1
1 310 . 12 1 1 A 35 35 HIS CB C 35 28.690 29.130 -0.440 1
1 316 . 12 1 1 A 35 35 HIS C C 35 175.646 173.707 1.939 1
1 318 . 12 1 1 A 36 36 THR N N 36 112.395 114.515 -2.120 1
1 319 . 12 1 1 A 36 36 THR H H 36 7.833 7.623 0.210 1
1 320 . 12 1 1 A 36 36 THR CA C 36 62.278 60.017 2.261 1
1 321 . 12 1 1 A 36 36 THR HA H 36 4.358 4.699 -0.341 1
1 322 . 12 1 1 A 36 36 THR CB C 36 69.765 71.232 -1.467 1
1 328 . 12 1 1 A 36 36 THR C C 36 175.309 174.179 1.130 1
1 329 . 12 1 1 A 37 37 GLY N N 37 110.931 115.570 -4.639 1
1 330 . 12 1 1 A 37 37 GLY H H 37 8.319 8.748 -0.429 1
1 331 . 12 1 1 A 37 37 GLY CA C 37 45.329 46.745 -1.416 1
1 332 . 12 1 1 A 37 37 GLY HA3 H 37 3.949 3.844 0.105 1
1 333 . 12 1 1 A 37 37 GLY C C 37 174.050 174.700 -0.650 1
1 334 . 12 1 1 A 37 37 GLY HA2 H 37 4.011 3.839 0.172 1
1 335 . 12 1 1 A 38 38 GLU N N 38 120.677 120.087 0.590 1
1 336 . 12 1 1 A 38 38 GLU H H 38 8.142 7.740 0.402 1
1 337 . 12 1 1 A 38 38 GLU CA C 38 56.428 56.959 -0.531 1
1 338 . 12 1 1 A 38 38 GLU HA H 38 4.236 4.230 0.006 1
1 339 . 12 1 1 A 38 38 GLU CB C 38 30.536 30.107 0.429 1
1 343 . 12 1 1 A 38 38 GLU C C 38 176.283 175.961 0.322 1
1 346 . 12 1 1 A 39 39 LYS N N 39 123.903 124.398 -0.495 1
1 347 . 12 1 1 A 39 39 LYS H H 39 8.440 8.135 0.305 1
1 348 . 12 1 1 A 39 39 LYS CA C 39 54.128 53.242 0.886 1
1 349 . 12 1 1 A 39 39 LYS HA H 39 4.602 4.835 -0.233 1
1 350 . 12 1 1 A 39 39 LYS CB C 39 32.498 35.176 -2.678 1
1 357 . 12 1 1 A 39 39 LYS C C 39 174.462 175.901 -1.439 1
1 362 . 12 1 1 A 40 40 PRO CA C 40 63.208 64.705 -1.497 1
1 363 . 12 1 1 A 40 40 PRO HA H 40 4.456 4.378 0.078 1
1 364 . 12 1 1 A 40 40 PRO CB C 40 32.188 32.126 0.062 1
1 1 . 13 1 1 A 9 9 GLY CA C 9 45.275 44.867 0.408 1
1 2 . 13 1 1 A 9 9 GLY HA3 H 9 3.928 4.074 -0.146 1
1 3 . 13 1 1 A 9 9 GLY C C 9 174.122 173.453 0.669 1
1 4 . 13 1 1 A 9 9 GLY HA2 H 9 3.928 4.051 -0.123 1
1 5 . 13 1 1 A 10 10 GLU N N 10 120.285 123.027 -2.742 1
1 6 . 13 1 1 A 10 10 GLU H H 10 8.221 8.804 -0.583 1
1 7 . 13 1 1 A 10 10 GLU CA C 10 56.848 54.987 1.861 1
1 8 . 13 1 1 A 10 10 GLU HA H 10 4.171 4.696 -0.525 1
1 9 . 13 1 1 A 10 10 GLU CB C 10 30.334 31.223 -0.889 1
1 13 . 13 1 1 A 10 10 GLU C C 10 176.429 176.364 0.065 1
1 16 . 13 1 1 A 11 11 LYS N N 11 121.992 124.884 -2.892 1
1 17 . 13 1 1 A 11 11 LYS H H 11 8.280 8.761 -0.481 1
1 18 . 13 1 1 A 11 11 LYS CA C 11 53.934 56.916 -2.982 1
1 19 . 13 1 1 A 11 11 LYS HA H 11 4.454 4.388 0.066 1
1 20 . 13 1 1 A 11 11 LYS CB C 11 32.677 30.398 2.279 1
1 28 . 13 1 1 A 11 11 LYS C C 11 174.147 176.615 -2.468 1
1 33 . 13 1 1 A 12 12 PRO CA C 12 63.503 64.628 -1.125 1
1 34 . 13 1 1 A 12 12 PRO HA H 12 4.262 4.529 -0.267 1
1 35 . 13 1 1 A 12 12 PRO CB C 12 32.320 31.378 0.942 1
1 41 . 13 1 1 A 12 12 PRO C C 12 176.429 175.800 0.629 1
1 45 . 13 1 1 A 13 13 TYR N N 13 118.187 119.218 -1.031 1
1 46 . 13 1 1 A 13 13 TYR H H 13 7.892 7.719 0.173 1
1 47 . 13 1 1 A 13 13 TYR CA C 13 57.274 56.560 0.714 1
1 48 . 13 1 1 A 13 13 TYR HA H 13 4.663 4.975 -0.312 1
1 49 . 13 1 1 A 13 13 TYR CB C 13 38.361 40.274 -1.913 1
1 59 . 13 1 1 A 13 13 TYR C C 13 175.189 175.504 -0.315 1
1 61 . 13 1 1 A 14 14 GLY N N 14 111.782 111.458 0.324 1
1 62 . 13 1 1 A 14 14 GLY H H 14 8.597 8.990 -0.393 1
1 63 . 13 1 1 A 14 14 GLY CA C 14 44.676 44.578 0.098 1
1 64 . 13 1 1 A 14 14 GLY HA3 H 14 4.797 4.392 0.405 1
1 65 . 13 1 1 A 14 14 GLY C C 14 172.271 172.749 -0.478 1
1 66 . 13 1 1 A 14 14 GLY HA2 H 14 3.615 4.353 -0.738 1
1 67 . 13 1 1 A 15 15 CYS N N 15 123.965 122.441 1.524 1
1 68 . 13 1 1 A 15 15 CYS H H 15 8.968 9.087 -0.119 1
1 69 . 13 1 1 A 15 15 CYS CA C 15 58.757 58.786 -0.029 1
1 70 . 13 1 1 A 15 15 CYS HA H 15 4.630 4.691 -0.061 1
1 71 . 13 1 1 A 15 15 CYS CB C 15 30.011 28.839 1.172 1
1 73 . 13 1 1 A 15 15 CYS C C 15 176.914 175.057 1.857 1
1 75 . 13 1 1 A 16 16 ASN N N 16 129.827 123.391 6.436 1
1 76 . 13 1 1 A 16 16 ASN H H 16 9.362 8.957 0.405 1
1 77 . 13 1 1 A 16 16 ASN CA C 16 55.380 54.154 1.226 1
1 78 . 13 1 1 A 16 16 ASN HA H 16 4.544 4.782 -0.238 1
1 79 . 13 1 1 A 16 16 ASN CB C 16 38.240 40.039 -1.799 1
1 84 . 13 1 1 A 16 16 ASN C C 16 175.456 177.283 -1.827 1
1 86 . 13 1 1 A 17 17 GLU N N 17 121.083 118.717 2.366 1
1 87 . 13 1 1 A 17 17 GLU H H 17 8.748 7.806 0.942 1
1 88 . 13 1 1 A 17 17 GLU CA C 17 58.345 58.937 -0.592 1
1 89 . 13 1 1 A 17 17 GLU HA H 17 4.217 3.930 0.287 1
1 90 . 13 1 1 A 17 17 GLU CB C 17 29.773 28.782 0.991 1
1 94 . 13 1 1 A 17 17 GLU C C 17 176.975 177.834 -0.859 1
1 97 . 13 1 1 A 18 18 CYS N N 18 114.669 114.797 -0.128 1
1 98 . 13 1 1 A 18 18 CYS H H 18 7.878 7.366 0.512 1
1 99 . 13 1 1 A 18 18 CYS CA C 18 58.313 59.691 -1.378 1
1 100 . 13 1 1 A 18 18 CYS HA H 18 5.146 4.699 0.447 1
1 101 . 13 1 1 A 18 18 CYS CB C 18 32.383 30.059 2.324 1
1 103 . 13 1 1 A 18 18 CYS C C 18 176.098 175.477 0.621 1
1 105 . 13 1 1 A 19 19 GLY N N 19 112.778 110.418 2.360 1
1 106 . 13 1 1 A 19 19 GLY H H 19 8.223 8.209 0.014 1
1 107 . 13 1 1 A 19 19 GLY CA C 19 46.159 45.171 0.988 1
1 108 . 13 1 1 A 19 19 GLY HA3 H 19 4.206 4.060 0.146 1
1 109 . 13 1 1 A 19 19 GLY C C 19 174.359 174.045 0.314 1
1 110 . 13 1 1 A 19 19 GLY HA2 H 19 3.866 4.054 -0.188 1
1 111 . 13 1 1 A 20 20 LYS N N 20 122.671 119.335 3.336 1
1 112 . 13 1 1 A 20 20 LYS H H 20 7.991 7.400 0.591 1
1 113 . 13 1 1 A 20 20 LYS CA C 20 57.994 54.699 3.295 1
1 114 . 13 1 1 A 20 20 LYS HA H 20 4.072 4.419 -0.347 1
1 115 . 13 1 1 A 20 20 LYS CB C 20 34.147 33.666 0.481 1
1 123 . 13 1 1 A 20 20 LYS C C 20 174.631 176.158 -1.527 1
1 128 . 13 1 1 A 21 21 THR N N 21 109.348 113.961 -4.613 1
1 129 . 13 1 1 A 21 21 THR H H 21 7.448 8.494 -1.046 1
1 130 . 13 1 1 A 21 21 THR CA C 21 59.261 60.101 -0.840 1
1 131 . 13 1 1 A 21 21 THR HA H 21 4.996 5.354 -0.358 1
1 132 . 13 1 1 A 21 21 THR CB C 21 71.388 71.013 0.375 1
1 138 . 13 1 1 A 21 21 THR C C 21 173.342 173.453 -0.111 1
1 139 . 13 1 1 A 22 22 PHE N N 22 116.768 118.704 -1.936 1
1 140 . 13 1 1 A 22 22 PHE H H 22 8.559 8.773 -0.214 1
1 141 . 13 1 1 A 22 22 PHE CA C 22 57.038 56.946 0.092 1
1 142 . 13 1 1 A 22 22 PHE HA H 22 4.860 4.902 -0.042 1
1 143 . 13 1 1 A 22 22 PHE CB C 22 43.966 42.495 1.471 1
1 155 . 13 1 1 A 22 22 PHE C C 22 175.846 176.125 -0.279 1
1 157 . 13 1 1 A 23 23 SER N N 23 115.194 117.026 -1.832 1
1 158 . 13 1 1 A 23 23 SER H H 23 9.413 8.844 0.569 1
1 159 . 13 1 1 A 23 23 SER CA C 23 60.308 61.902 -1.594 1
1 160 . 13 1 1 A 23 23 SER HA H 23 4.613 4.340 0.273 1
1 161 . 13 1 1 A 23 23 SER CB C 23 64.352 63.077 1.275 1
1 163 . 13 1 1 A 23 23 SER C C 23 174.181 174.792 -0.611 1
1 165 . 13 1 1 A 24 24 GLN N N 24 115.115 117.655 -2.540 1
1 166 . 13 1 1 A 24 24 GLN H H 24 7.028 7.645 -0.617 1
1 167 . 13 1 1 A 24 24 GLN CA C 24 54.225 54.054 0.171 1
1 168 . 13 1 1 A 24 24 GLN HA H 24 4.827 4.676 0.151 1
1 169 . 13 1 1 A 24 24 GLN CB C 24 33.411 31.547 1.864 1
1 176 . 13 1 1 A 24 24 GLN C C 24 175.822 176.064 -0.242 1
1 179 . 13 1 1 A 25 25 LYS N N 25 126.960 119.600 7.360 1
1 180 . 13 1 1 A 25 25 LYS H H 25 8.655 8.129 0.526 1
1 181 . 13 1 1 A 25 25 LYS CA C 25 59.663 58.420 1.243 1
1 182 . 13 1 1 A 25 25 LYS HA H 25 3.181 3.606 -0.425 1
1 183 . 13 1 1 A 25 25 LYS CB C 25 31.726 31.417 0.309 1
1 191 . 13 1 1 A 25 25 LYS C C 25 178.371 178.449 -0.078 1
1 196 . 13 1 1 A 26 26 SER CA C 26 60.933 61.286 -0.353 1
1 197 . 13 1 1 A 26 26 SER HA H 26 4.054 4.058 -0.004 1
1 198 . 13 1 1 A 26 26 SER CB C 26 61.498 62.929 -1.431 1
1 200 . 13 1 1 A 26 26 SER C C 26 176.882 176.860 0.022 1
1 202 . 13 1 1 A 27 27 ILE N N 27 123.952 121.953 1.999 1
1 203 . 13 1 1 A 27 27 ILE H H 27 6.655 7.282 -0.627 1
1 204 . 13 1 1 A 27 27 ILE CA C 27 63.774 64.188 -0.414 1
1 205 . 13 1 1 A 27 27 ILE HA H 27 3.765 3.681 0.084 1
1 206 . 13 1 1 A 27 27 ILE CB C 27 38.081 37.685 0.396 1
1 218 . 13 1 1 A 27 27 ILE C C 27 178.456 177.484 0.972 1
1 220 . 13 1 1 A 28 28 LEU N N 28 122.282 121.843 0.439 1
1 221 . 13 1 1 A 28 28 LEU H H 28 7.190 7.358 -0.168 1
1 222 . 13 1 1 A 28 28 LEU CA C 28 58.277 57.664 0.613 1
1 223 . 13 1 1 A 28 28 LEU HA H 28 3.322 3.041 0.281 1
1 224 . 13 1 1 A 28 28 LEU CB C 28 40.085 41.029 -0.944 1
1 236 . 13 1 1 A 28 28 LEU C C 28 178.134 178.202 -0.068 1
1 238 . 13 1 1 A 29 29 SER N N 29 114.752 115.119 -0.367 1
1 239 . 13 1 1 A 29 29 SER H H 29 8.638 8.263 0.375 1
1 240 . 13 1 1 A 29 29 SER CA C 29 61.900 61.894 0.006 1
1 241 . 13 1 1 A 29 29 SER HA H 29 4.264 4.029 0.235 1
1 242 . 13 1 1 A 29 29 SER CB C 29 62.385 62.428 -0.043 1
1 244 . 13 1 1 A 29 29 SER C C 29 176.967 176.935 0.032 1
1 246 . 13 1 1 A 30 30 ALA N N 30 122.806 123.707 -0.901 1
1 247 . 13 1 1 A 30 30 ALA H H 30 7.393 7.945 -0.552 1
1 248 . 13 1 1 A 30 30 ALA CA C 30 55.041 55.294 -0.253 1
1 249 . 13 1 1 A 30 30 ALA HA H 30 4.023 4.004 0.019 1
1 250 . 13 1 1 A 30 30 ALA CB C 30 17.887 18.153 -0.266 1
1 254 . 13 1 1 A 30 30 ALA C C 30 180.298 179.765 0.533 1
1 255 . 13 1 1 A 31 31 HIS N N 31 118.698 117.757 0.941 1
1 256 . 13 1 1 A 31 31 HIS H H 31 7.914 7.607 0.307 1
1 257 . 13 1 1 A 31 31 HIS CA C 31 59.052 58.781 0.271 1
1 258 . 13 1 1 A 31 31 HIS HA H 31 4.208 4.103 0.105 1
1 259 . 13 1 1 A 31 31 HIS CB C 31 27.517 29.917 -2.400 1
1 265 . 13 1 1 A 31 31 HIS C C 31 178.351 176.600 1.751 1
1 267 . 13 1 1 A 32 32 GLN N N 32 120.686 118.102 2.584 1
1 268 . 13 1 1 A 32 32 GLN H H 32 8.890 7.855 1.035 1
1 269 . 13 1 1 A 32 32 GLN CA C 32 59.965 57.608 2.357 1
1 270 . 13 1 1 A 32 32 GLN HA H 32 3.709 4.248 -0.539 1
1 271 . 13 1 1 A 32 32 GLN CB C 32 28.290 28.877 -0.587 1
1 278 . 13 1 1 A 32 32 GLN C C 32 178.061 178.027 0.034 1
1 281 . 13 1 1 A 33 33 ARG N N 33 117.052 119.671 -2.619 1
1 282 . 13 1 1 A 33 33 ARG H H 33 7.224 7.728 -0.504 1
1 283 . 13 1 1 A 33 33 ARG CA C 33 58.375 58.615 -0.240 1
1 284 . 13 1 1 A 33 33 ARG HA H 33 4.174 4.090 0.084 1
1 285 . 13 1 1 A 33 33 ARG CB C 33 29.947 29.860 0.087 1
1 291 . 13 1 1 A 33 33 ARG C C 33 178.118 177.341 0.777 1
1 295 . 13 1 1 A 34 34 THR N N 34 109.534 114.042 -4.508 1
1 296 . 13 1 1 A 34 34 THR H H 34 7.712 7.594 0.118 1
1 297 . 13 1 1 A 34 34 THR CA C 34 63.776 62.761 1.015 1
1 298 . 13 1 1 A 34 34 THR HA H 34 4.151 4.291 -0.140 1
1 299 . 13 1 1 A 34 34 THR CB C 34 69.225 68.924 0.301 1
1 305 . 13 1 1 A 34 34 THR C C 34 175.617 174.350 1.267 1
1 306 . 13 1 1 A 35 35 HIS N N 35 118.842 120.917 -2.075 1
1 307 . 13 1 1 A 35 35 HIS H H 35 7.161 7.340 -0.179 1
1 308 . 13 1 1 A 35 35 HIS CA C 35 55.580 54.615 0.965 1
1 309 . 13 1 1 A 35 35 HIS HA H 35 4.870 4.843 0.027 1
1 310 . 13 1 1 A 35 35 HIS CB C 35 28.690 28.304 0.386 1
1 316 . 13 1 1 A 35 35 HIS C C 35 175.646 173.665 1.981 1
1 318 . 13 1 1 A 36 36 THR N N 36 112.395 112.404 -0.009 1
1 319 . 13 1 1 A 36 36 THR H H 36 7.833 8.632 -0.799 1
1 320 . 13 1 1 A 36 36 THR CA C 36 62.278 60.155 2.123 1
1 321 . 13 1 1 A 36 36 THR HA H 36 4.358 5.007 -0.649 1
1 322 . 13 1 1 A 36 36 THR CB C 36 69.765 70.869 -1.104 1
1 328 . 13 1 1 A 36 36 THR C C 36 175.309 173.980 1.329 1
1 329 . 13 1 1 A 37 37 GLY N N 37 110.931 114.718 -3.787 1
1 330 . 13 1 1 A 37 37 GLY H H 37 8.319 8.764 -0.445 1
1 331 . 13 1 1 A 37 37 GLY CA C 37 45.329 46.558 -1.229 1
1 332 . 13 1 1 A 37 37 GLY HA3 H 37 3.949 3.966 -0.017 1
1 333 . 13 1 1 A 37 37 GLY C C 37 174.050 174.017 0.033 1
1 334 . 13 1 1 A 37 37 GLY HA2 H 37 4.011 3.963 0.048 1
1 335 . 13 1 1 A 38 38 GLU N N 38 120.677 119.335 1.342 1
1 336 . 13 1 1 A 38 38 GLU H H 38 8.142 7.721 0.421 1
1 337 . 13 1 1 A 38 38 GLU CA C 38 56.428 55.233 1.195 1
1 338 . 13 1 1 A 38 38 GLU HA H 38 4.236 4.893 -0.657 1
1 339 . 13 1 1 A 38 38 GLU CB C 38 30.536 32.616 -2.080 1
1 343 . 13 1 1 A 38 38 GLU C C 38 176.283 175.242 1.041 1
1 346 . 13 1 1 A 39 39 LYS N N 39 123.903 125.609 -1.706 1
1 347 . 13 1 1 A 39 39 LYS H H 39 8.440 8.497 -0.057 1
1 348 . 13 1 1 A 39 39 LYS CA C 39 54.128 54.578 -0.450 1
1 349 . 13 1 1 A 39 39 LYS HA H 39 4.602 4.742 -0.140 1
1 350 . 13 1 1 A 39 39 LYS CB C 39 32.498 32.728 -0.230 1
1 357 . 13 1 1 A 39 39 LYS C C 39 174.462 175.196 -0.734 1
1 362 . 13 1 1 A 40 40 PRO CA C 40 63.208 62.990 0.218 1
1 363 . 13 1 1 A 40 40 PRO HA H 40 4.456 4.571 -0.115 1
1 364 . 13 1 1 A 40 40 PRO CB C 40 32.188 31.660 0.528 1
1 1 . 14 1 1 A 9 9 GLY CA C 9 45.275 44.933 0.342 1
1 2 . 14 1 1 A 9 9 GLY HA3 H 9 3.928 4.043 -0.115 1
1 3 . 14 1 1 A 9 9 GLY C C 9 174.122 173.756 0.366 1
1 4 . 14 1 1 A 9 9 GLY HA2 H 9 3.928 4.019 -0.091 1
1 5 . 14 1 1 A 10 10 GLU N N 10 120.285 121.905 -1.620 1
1 6 . 14 1 1 A 10 10 GLU H H 10 8.221 8.357 -0.136 1
1 7 . 14 1 1 A 10 10 GLU CA C 10 56.848 55.099 1.749 1
1 8 . 14 1 1 A 10 10 GLU HA H 10 4.171 4.916 -0.745 1
1 9 . 14 1 1 A 10 10 GLU CB C 10 30.334 30.470 -0.136 1
1 13 . 14 1 1 A 10 10 GLU C C 10 176.429 175.793 0.636 1
1 16 . 14 1 1 A 11 11 LYS N N 11 121.992 118.705 3.287 1
1 17 . 14 1 1 A 11 11 LYS H H 11 8.280 8.980 -0.700 1
1 18 . 14 1 1 A 11 11 LYS CA C 11 53.934 56.980 -3.046 1
1 19 . 14 1 1 A 11 11 LYS HA H 11 4.454 3.955 0.499 1
1 20 . 14 1 1 A 11 11 LYS CB C 11 32.677 30.618 2.059 1
1 28 . 14 1 1 A 11 11 LYS C C 11 174.147 176.874 -2.727 1
1 33 . 14 1 1 A 12 12 PRO CA C 12 63.503 64.330 -0.827 1
1 34 . 14 1 1 A 12 12 PRO HA H 12 4.262 4.441 -0.179 1
1 35 . 14 1 1 A 12 12 PRO CB C 12 32.320 31.582 0.738 1
1 41 . 14 1 1 A 12 12 PRO C C 12 176.429 175.705 0.724 1
1 45 . 14 1 1 A 13 13 TYR N N 13 118.187 119.386 -1.199 1
1 46 . 14 1 1 A 13 13 TYR H H 13 7.892 7.564 0.328 1
1 47 . 14 1 1 A 13 13 TYR CA C 13 57.274 56.530 0.744 1
1 48 . 14 1 1 A 13 13 TYR HA H 13 4.663 5.135 -0.472 1
1 49 . 14 1 1 A 13 13 TYR CB C 13 38.361 40.814 -2.453 1
1 59 . 14 1 1 A 13 13 TYR C C 13 175.189 175.501 -0.312 1
1 61 . 14 1 1 A 14 14 GLY N N 14 111.782 110.512 1.270 1
1 62 . 14 1 1 A 14 14 GLY H H 14 8.597 8.996 -0.399 1
1 63 . 14 1 1 A 14 14 GLY CA C 14 44.676 44.700 -0.024 1
1 64 . 14 1 1 A 14 14 GLY HA3 H 14 4.797 4.519 0.278 1
1 65 . 14 1 1 A 14 14 GLY C C 14 172.271 172.373 -0.102 1
1 66 . 14 1 1 A 14 14 GLY HA2 H 14 3.615 4.425 -0.810 1
1 67 . 14 1 1 A 15 15 CYS N N 15 123.965 121.522 2.443 1
1 68 . 14 1 1 A 15 15 CYS H H 15 8.968 9.120 -0.152 1
1 69 . 14 1 1 A 15 15 CYS CA C 15 58.757 59.182 -0.425 1
1 70 . 14 1 1 A 15 15 CYS HA H 15 4.630 4.666 -0.036 1
1 71 . 14 1 1 A 15 15 CYS CB C 15 30.011 28.380 1.631 1
1 73 . 14 1 1 A 15 15 CYS C C 15 176.914 175.928 0.986 1
1 75 . 14 1 1 A 16 16 ASN N N 16 129.827 126.689 3.138 1
1 76 . 14 1 1 A 16 16 ASN H H 16 9.362 9.119 0.243 1
1 77 . 14 1 1 A 16 16 ASN CA C 16 55.380 52.259 3.121 1
1 78 . 14 1 1 A 16 16 ASN HA H 16 4.544 4.935 -0.391 1
1 79 . 14 1 1 A 16 16 ASN CB C 16 38.240 37.146 1.094 1
1 84 . 14 1 1 A 16 16 ASN C C 16 175.456 176.302 -0.846 1
1 86 . 14 1 1 A 17 17 GLU N N 17 121.083 120.793 0.290 1
1 87 . 14 1 1 A 17 17 GLU H H 17 8.748 7.979 0.769 1
1 88 . 14 1 1 A 17 17 GLU CA C 17 58.345 57.160 1.185 1
1 89 . 14 1 1 A 17 17 GLU HA H 17 4.217 4.446 -0.229 1
1 90 . 14 1 1 A 17 17 GLU CB C 17 29.773 31.756 -1.983 1
1 94 . 14 1 1 A 17 17 GLU C C 17 176.975 177.701 -0.726 1
1 97 . 14 1 1 A 18 18 CYS N N 18 114.669 114.692 -0.023 1
1 98 . 14 1 1 A 18 18 CYS H H 18 7.878 8.115 -0.237 1
1 99 . 14 1 1 A 18 18 CYS CA C 18 58.313 59.600 -1.287 1
1 100 . 14 1 1 A 18 18 CYS HA H 18 5.146 4.687 0.459 1
1 101 . 14 1 1 A 18 18 CYS CB C 18 32.383 30.109 2.274 1
1 103 . 14 1 1 A 18 18 CYS C C 18 176.098 175.474 0.624 1
1 105 . 14 1 1 A 19 19 GLY N N 19 112.778 110.309 2.469 1
1 106 . 14 1 1 A 19 19 GLY H H 19 8.223 8.154 0.069 1
1 107 . 14 1 1 A 19 19 GLY CA C 19 46.159 45.179 0.980 1
1 108 . 14 1 1 A 19 19 GLY HA3 H 19 4.206 4.076 0.130 1
1 109 . 14 1 1 A 19 19 GLY C C 19 174.359 174.036 0.323 1
1 110 . 14 1 1 A 19 19 GLY HA2 H 19 3.866 4.072 -0.206 1
1 111 . 14 1 1 A 20 20 LYS N N 20 122.671 119.398 3.273 1
1 112 . 14 1 1 A 20 20 LYS H H 20 7.991 7.441 0.550 1
1 113 . 14 1 1 A 20 20 LYS CA C 20 57.994 54.364 3.630 1
1 114 . 14 1 1 A 20 20 LYS HA H 20 4.072 4.609 -0.537 1
1 115 . 14 1 1 A 20 20 LYS CB C 20 34.147 34.254 -0.107 1
1 123 . 14 1 1 A 20 20 LYS C C 20 174.631 175.620 -0.989 1
1 128 . 14 1 1 A 21 21 THR N N 21 109.348 111.134 -1.786 1
1 129 . 14 1 1 A 21 21 THR H H 21 7.448 8.534 -1.086 1
1 130 . 14 1 1 A 21 21 THR CA C 21 59.261 58.874 0.387 1
1 131 . 14 1 1 A 21 21 THR HA H 21 4.996 5.438 -0.442 1
1 132 . 14 1 1 A 21 21 THR CB C 21 71.388 72.107 -0.719 1
1 138 . 14 1 1 A 21 21 THR C C 21 173.342 173.152 0.190 1
1 139 . 14 1 1 A 22 22 PHE N N 22 116.768 118.527 -1.759 1
1 140 . 14 1 1 A 22 22 PHE H H 22 8.559 8.774 -0.215 1
1 141 . 14 1 1 A 22 22 PHE CA C 22 57.038 56.557 0.481 1
1 142 . 14 1 1 A 22 22 PHE HA H 22 4.860 4.933 -0.073 1
1 143 . 14 1 1 A 22 22 PHE CB C 22 43.966 42.694 1.272 1
1 155 . 14 1 1 A 22 22 PHE C C 22 175.846 175.785 0.061 1
1 157 . 14 1 1 A 23 23 SER N N 23 115.194 119.753 -4.559 1
1 158 . 14 1 1 A 23 23 SER H H 23 9.413 8.866 0.547 1
1 159 . 14 1 1 A 23 23 SER CA C 23 60.308 61.575 -1.267 1
1 160 . 14 1 1 A 23 23 SER HA H 23 4.613 4.366 0.247 1
1 161 . 14 1 1 A 23 23 SER CB C 23 64.352 63.123 1.229 1
1 163 . 14 1 1 A 23 23 SER C C 23 174.181 174.073 0.108 1
1 165 . 14 1 1 A 24 24 GLN N N 24 115.115 115.430 -0.315 1
1 166 . 14 1 1 A 24 24 GLN H H 24 7.028 7.633 -0.605 1
1 167 . 14 1 1 A 24 24 GLN CA C 24 54.225 53.981 0.244 1
1 168 . 14 1 1 A 24 24 GLN HA H 24 4.827 4.543 0.284 1
1 169 . 14 1 1 A 24 24 GLN CB C 24 33.411 31.262 2.149 1
1 176 . 14 1 1 A 24 24 GLN C C 24 175.822 175.510 0.312 1
1 179 . 14 1 1 A 25 25 LYS N N 25 126.960 120.804 6.156 1
1 180 . 14 1 1 A 25 25 LYS H H 25 8.655 8.046 0.609 1
1 181 . 14 1 1 A 25 25 LYS CA C 25 59.663 59.295 0.368 1
1 182 . 14 1 1 A 25 25 LYS HA H 25 3.181 3.466 -0.285 1
1 183 . 14 1 1 A 25 25 LYS CB C 25 31.726 31.830 -0.104 1
1 191 . 14 1 1 A 25 25 LYS C C 25 178.371 178.244 0.127 1
1 196 . 14 1 1 A 26 26 SER CA C 26 60.933 62.430 -1.497 1
1 197 . 14 1 1 A 26 26 SER HA H 26 4.054 4.039 0.015 1
1 198 . 14 1 1 A 26 26 SER CB C 26 61.498 62.853 -1.355 1
1 200 . 14 1 1 A 26 26 SER C C 26 176.882 176.078 0.804 1
1 202 . 14 1 1 A 27 27 ILE N N 27 123.952 120.567 3.385 1
1 203 . 14 1 1 A 27 27 ILE H H 27 6.655 7.563 -0.908 1
1 204 . 14 1 1 A 27 27 ILE CA C 27 63.774 64.246 -0.472 1
1 205 . 14 1 1 A 27 27 ILE HA H 27 3.765 3.765 0.000 1
1 206 . 14 1 1 A 27 27 ILE CB C 27 38.081 37.908 0.173 1
1 218 . 14 1 1 A 27 27 ILE C C 27 178.456 177.520 0.936 1
1 220 . 14 1 1 A 28 28 LEU N N 28 122.282 121.529 0.753 1
1 221 . 14 1 1 A 28 28 LEU H H 28 7.190 7.457 -0.267 1
1 222 . 14 1 1 A 28 28 LEU CA C 28 58.277 57.704 0.573 1
1 223 . 14 1 1 A 28 28 LEU HA H 28 3.322 2.730 0.592 1
1 224 . 14 1 1 A 28 28 LEU CB C 28 40.085 41.145 -1.060 1
1 236 . 14 1 1 A 28 28 LEU C C 28 178.134 178.267 -0.133 1
1 238 . 14 1 1 A 29 29 SER N N 29 114.752 114.049 0.703 1
1 239 . 14 1 1 A 29 29 SER H H 29 8.638 8.414 0.224 1
1 240 . 14 1 1 A 29 29 SER CA C 29 61.900 61.636 0.264 1
1 241 . 14 1 1 A 29 29 SER HA H 29 4.264 4.004 0.260 1
1 242 . 14 1 1 A 29 29 SER CB C 29 62.385 63.001 -0.616 1
1 244 . 14 1 1 A 29 29 SER C C 29 176.967 177.171 -0.204 1
1 246 . 14 1 1 A 30 30 ALA N N 30 122.806 122.714 0.092 1
1 247 . 14 1 1 A 30 30 ALA H H 30 7.393 7.932 -0.539 1
1 248 . 14 1 1 A 30 30 ALA CA C 30 55.041 55.267 -0.226 1
1 249 . 14 1 1 A 30 30 ALA HA H 30 4.023 4.013 0.010 1
1 250 . 14 1 1 A 30 30 ALA CB C 30 17.887 18.157 -0.270 1
1 254 . 14 1 1 A 30 30 ALA C C 30 180.298 179.710 0.588 1
1 255 . 14 1 1 A 31 31 HIS N N 31 118.698 117.767 0.931 1
1 256 . 14 1 1 A 31 31 HIS H H 31 7.914 7.877 0.037 1
1 257 . 14 1 1 A 31 31 HIS CA C 31 59.052 58.783 0.269 1
1 258 . 14 1 1 A 31 31 HIS HA H 31 4.208 4.145 0.063 1
1 259 . 14 1 1 A 31 31 HIS CB C 31 27.517 29.876 -2.359 1
1 265 . 14 1 1 A 31 31 HIS C C 31 178.351 176.614 1.737 1
1 267 . 14 1 1 A 32 32 GLN N N 32 120.686 118.339 2.347 1
1 268 . 14 1 1 A 32 32 GLN H H 32 8.890 7.863 1.027 1
1 269 . 14 1 1 A 32 32 GLN CA C 32 59.965 57.740 2.225 1
1 270 . 14 1 1 A 32 32 GLN HA H 32 3.709 4.215 -0.506 1
1 271 . 14 1 1 A 32 32 GLN CB C 32 28.290 28.686 -0.396 1
1 278 . 14 1 1 A 32 32 GLN C C 32 178.061 178.392 -0.331 1
1 281 . 14 1 1 A 33 33 ARG N N 33 117.052 120.504 -3.452 1
1 282 . 14 1 1 A 33 33 ARG H H 33 7.224 7.814 -0.590 1
1 283 . 14 1 1 A 33 33 ARG CA C 33 58.375 59.256 -0.881 1
1 284 . 14 1 1 A 33 33 ARG HA H 33 4.174 4.077 0.097 1
1 285 . 14 1 1 A 33 33 ARG CB C 33 29.947 30.069 -0.122 1
1 291 . 14 1 1 A 33 33 ARG C C 33 178.118 179.318 -1.200 1
1 295 . 14 1 1 A 34 34 THR N N 34 109.534 114.819 -5.285 1
1 296 . 14 1 1 A 34 34 THR H H 34 7.712 7.681 0.031 1
1 297 . 14 1 1 A 34 34 THR CA C 34 63.776 65.489 -1.713 1
1 298 . 14 1 1 A 34 34 THR HA H 34 4.151 3.914 0.237 1
1 299 . 14 1 1 A 34 34 THR CB C 34 69.225 68.305 0.920 1
1 305 . 14 1 1 A 34 34 THR C C 34 175.617 177.083 -1.466 1
1 306 . 14 1 1 A 35 35 HIS N N 35 118.842 118.319 0.523 1
1 307 . 14 1 1 A 35 35 HIS H H 35 7.161 7.499 -0.338 1
1 308 . 14 1 1 A 35 35 HIS CA C 35 55.580 59.305 -3.725 1
1 309 . 14 1 1 A 35 35 HIS HA H 35 4.870 4.341 0.529 1
1 310 . 14 1 1 A 35 35 HIS CB C 35 28.690 29.872 -1.182 1
1 316 . 14 1 1 A 35 35 HIS C C 35 175.646 175.847 -0.201 1
1 318 . 14 1 1 A 36 36 THR N N 36 112.395 107.632 4.763 1
1 319 . 14 1 1 A 36 36 THR H H 36 7.833 7.381 0.452 1
1 320 . 14 1 1 A 36 36 THR CA C 36 62.278 60.788 1.490 1
1 321 . 14 1 1 A 36 36 THR HA H 36 4.358 4.356 0.002 1
1 322 . 14 1 1 A 36 36 THR CB C 36 69.765 68.116 1.649 1
1 328 . 14 1 1 A 36 36 THR C C 36 175.309 174.468 0.841 1
1 329 . 14 1 1 A 37 37 GLY N N 37 110.931 111.512 -0.581 1
1 330 . 14 1 1 A 37 37 GLY H H 37 8.319 8.249 0.070 1
1 331 . 14 1 1 A 37 37 GLY CA C 37 45.329 44.333 0.996 1
1 332 . 14 1 1 A 37 37 GLY HA3 H 37 3.949 4.073 -0.124 1
1 333 . 14 1 1 A 37 37 GLY C C 37 174.050 174.556 -0.506 1
1 334 . 14 1 1 A 37 37 GLY HA2 H 37 4.011 4.069 -0.058 1
1 335 . 14 1 1 A 38 38 GLU N N 38 120.677 116.745 3.932 1
1 336 . 14 1 1 A 38 38 GLU H H 38 8.142 8.403 -0.261 1
1 337 . 14 1 1 A 38 38 GLU CA C 38 56.428 55.676 0.752 1
1 338 . 14 1 1 A 38 38 GLU HA H 38 4.236 4.633 -0.397 1
1 339 . 14 1 1 A 38 38 GLU CB C 38 30.536 30.545 -0.009 1
1 343 . 14 1 1 A 38 38 GLU C C 38 176.283 175.715 0.568 1
1 346 . 14 1 1 A 39 39 LYS N N 39 123.903 120.987 2.916 1
1 347 . 14 1 1 A 39 39 LYS H H 39 8.440 7.438 1.002 1
1 348 . 14 1 1 A 39 39 LYS CA C 39 54.128 53.211 0.917 1
1 349 . 14 1 1 A 39 39 LYS HA H 39 4.602 4.857 -0.255 1
1 350 . 14 1 1 A 39 39 LYS CB C 39 32.498 35.981 -3.483 1
1 357 . 14 1 1 A 39 39 LYS C C 39 174.462 173.803 0.659 1
1 362 . 14 1 1 A 40 40 PRO CA C 40 63.208 62.449 0.759 1
1 363 . 14 1 1 A 40 40 PRO HA H 40 4.456 4.747 -0.291 1
1 364 . 14 1 1 A 40 40 PRO CB C 40 32.188 29.490 2.698 1
1 1 . 15 1 1 A 9 9 GLY CA C 9 45.275 45.813 -0.538 1
1 2 . 15 1 1 A 9 9 GLY HA3 H 9 3.928 3.985 -0.057 1
1 3 . 15 1 1 A 9 9 GLY C C 9 174.122 175.454 -1.332 1
1 4 . 15 1 1 A 9 9 GLY HA2 H 9 3.928 3.985 -0.057 1
1 5 . 15 1 1 A 10 10 GLU N N 10 120.285 120.137 0.148 1
1 6 . 15 1 1 A 10 10 GLU H H 10 8.221 8.231 -0.010 1
1 7 . 15 1 1 A 10 10 GLU CA C 10 56.848 59.272 -2.424 1
1 8 . 15 1 1 A 10 10 GLU HA H 10 4.171 4.080 0.091 1
1 9 . 15 1 1 A 10 10 GLU CB C 10 30.334 29.001 1.333 1
1 13 . 15 1 1 A 10 10 GLU C C 10 176.429 176.992 -0.563 1
1 16 . 15 1 1 A 11 11 LYS N N 11 121.992 118.576 3.416 1
1 17 . 15 1 1 A 11 11 LYS H H 11 8.280 7.797 0.483 1
1 18 . 15 1 1 A 11 11 LYS CA C 11 53.934 53.843 0.091 1
1 19 . 15 1 1 A 11 11 LYS HA H 11 4.454 4.900 -0.446 1
1 20 . 15 1 1 A 11 11 LYS CB C 11 32.677 33.214 -0.537 1
1 28 . 15 1 1 A 11 11 LYS C C 11 174.147 174.783 -0.636 1
1 33 . 15 1 1 A 12 12 PRO CA C 12 63.503 64.037 -0.534 1
1 34 . 15 1 1 A 12 12 PRO HA H 12 4.262 4.512 -0.250 1
1 35 . 15 1 1 A 12 12 PRO CB C 12 32.320 31.615 0.705 1
1 41 . 15 1 1 A 12 12 PRO C C 12 176.429 175.841 0.588 1
1 45 . 15 1 1 A 13 13 TYR N N 13 118.187 119.658 -1.471 1
1 46 . 15 1 1 A 13 13 TYR H H 13 7.892 7.748 0.144 1
1 47 . 15 1 1 A 13 13 TYR CA C 13 57.274 56.563 0.711 1
1 48 . 15 1 1 A 13 13 TYR HA H 13 4.663 4.975 -0.312 1
1 49 . 15 1 1 A 13 13 TYR CB C 13 38.361 40.286 -1.925 1
1 59 . 15 1 1 A 13 13 TYR C C 13 175.189 175.540 -0.351 1
1 61 . 15 1 1 A 14 14 GLY N N 14 111.782 111.537 0.245 1
1 62 . 15 1 1 A 14 14 GLY H H 14 8.597 9.008 -0.411 1
1 63 . 15 1 1 A 14 14 GLY CA C 14 44.676 44.623 0.053 1
1 64 . 15 1 1 A 14 14 GLY HA3 H 14 4.797 4.349 0.448 1
1 65 . 15 1 1 A 14 14 GLY C C 14 172.271 172.433 -0.162 1
1 66 . 15 1 1 A 14 14 GLY HA2 H 14 3.615 4.309 -0.694 1
1 67 . 15 1 1 A 15 15 CYS N N 15 123.965 122.056 1.909 1
1 68 . 15 1 1 A 15 15 CYS H H 15 8.968 9.249 -0.281 1
1 69 . 15 1 1 A 15 15 CYS CA C 15 58.757 59.759 -1.002 1
1 70 . 15 1 1 A 15 15 CYS HA H 15 4.630 4.651 -0.021 1
1 71 . 15 1 1 A 15 15 CYS CB C 15 30.011 28.364 1.647 1
1 73 . 15 1 1 A 15 15 CYS C C 15 176.914 175.675 1.239 1
1 75 . 15 1 1 A 16 16 ASN N N 16 129.827 126.464 3.363 1
1 76 . 15 1 1 A 16 16 ASN H H 16 9.362 9.028 0.334 1
1 77 . 15 1 1 A 16 16 ASN CA C 16 55.380 53.345 2.035 1
1 78 . 15 1 1 A 16 16 ASN HA H 16 4.544 4.889 -0.345 1
1 79 . 15 1 1 A 16 16 ASN CB C 16 38.240 38.879 -0.639 1
1 84 . 15 1 1 A 16 16 ASN C C 16 175.456 175.603 -0.147 1
1 86 . 15 1 1 A 17 17 GLU N N 17 121.083 117.849 3.234 1
1 87 . 15 1 1 A 17 17 GLU H H 17 8.748 7.870 0.878 1
1 88 . 15 1 1 A 17 17 GLU CA C 17 58.345 56.816 1.529 1
1 89 . 15 1 1 A 17 17 GLU HA H 17 4.217 4.427 -0.210 1
1 90 . 15 1 1 A 17 17 GLU CB C 17 29.773 32.031 -2.258 1
1 94 . 15 1 1 A 17 17 GLU C C 17 176.975 177.611 -0.636 1
1 97 . 15 1 1 A 18 18 CYS N N 18 114.669 114.378 0.291 1
1 98 . 15 1 1 A 18 18 CYS H H 18 7.878 7.824 0.054 1
1 99 . 15 1 1 A 18 18 CYS CA C 18 58.313 59.487 -1.174 1
1 100 . 15 1 1 A 18 18 CYS HA H 18 5.146 4.685 0.461 1
1 101 . 15 1 1 A 18 18 CYS CB C 18 32.383 30.163 2.220 1
1 103 . 15 1 1 A 18 18 CYS C C 18 176.098 175.463 0.635 1
1 105 . 15 1 1 A 19 19 GLY N N 19 112.778 109.295 3.483 1
1 106 . 15 1 1 A 19 19 GLY H H 19 8.223 7.904 0.319 1
1 107 . 15 1 1 A 19 19 GLY CA C 19 46.159 45.394 0.765 1
1 108 . 15 1 1 A 19 19 GLY HA3 H 19 4.206 4.038 0.168 1
1 109 . 15 1 1 A 19 19 GLY C C 19 174.359 174.774 -0.415 1
1 110 . 15 1 1 A 19 19 GLY HA2 H 19 3.866 4.033 -0.167 1
1 111 . 15 1 1 A 20 20 LYS N N 20 122.671 121.376 1.295 1
1 112 . 15 1 1 A 20 20 LYS H H 20 7.991 7.505 0.486 1
1 113 . 15 1 1 A 20 20 LYS CA C 20 57.994 57.210 0.784 1
1 114 . 15 1 1 A 20 20 LYS HA H 20 4.072 4.127 -0.055 1
1 115 . 15 1 1 A 20 20 LYS CB C 20 34.147 33.290 0.857 1
1 123 . 15 1 1 A 20 20 LYS C C 20 174.631 175.655 -1.024 1
1 128 . 15 1 1 A 21 21 THR N N 21 109.348 113.406 -4.058 1
1 129 . 15 1 1 A 21 21 THR H H 21 7.448 8.246 -0.798 1
1 130 . 15 1 1 A 21 21 THR CA C 21 59.261 59.171 0.090 1
1 131 . 15 1 1 A 21 21 THR HA H 21 4.996 5.621 -0.625 1
1 132 . 15 1 1 A 21 21 THR CB C 21 71.388 72.032 -0.644 1
1 138 . 15 1 1 A 21 21 THR C C 21 173.342 173.268 0.074 1
1 139 . 15 1 1 A 22 22 PHE N N 22 116.768 118.515 -1.747 1
1 140 . 15 1 1 A 22 22 PHE H H 22 8.559 8.415 0.144 1
1 141 . 15 1 1 A 22 22 PHE CA C 22 57.038 56.903 0.135 1
1 142 . 15 1 1 A 22 22 PHE HA H 22 4.860 4.900 -0.040 1
1 143 . 15 1 1 A 22 22 PHE CB C 22 43.966 42.718 1.248 1
1 155 . 15 1 1 A 22 22 PHE C C 22 175.846 175.748 0.098 1
1 157 . 15 1 1 A 23 23 SER N N 23 115.194 118.760 -3.566 1
1 158 . 15 1 1 A 23 23 SER H H 23 9.413 8.758 0.655 1
1 159 . 15 1 1 A 23 23 SER CA C 23 60.308 61.554 -1.246 1
1 160 . 15 1 1 A 23 23 SER HA H 23 4.613 4.561 0.052 1
1 161 . 15 1 1 A 23 23 SER CB C 23 64.352 63.101 1.251 1
1 163 . 15 1 1 A 23 23 SER C C 23 174.181 173.949 0.232 1
1 165 . 15 1 1 A 24 24 GLN N N 24 115.115 115.494 -0.379 1
1 166 . 15 1 1 A 24 24 GLN H H 24 7.028 7.537 -0.509 1
1 167 . 15 1 1 A 24 24 GLN CA C 24 54.225 53.891 0.334 1
1 168 . 15 1 1 A 24 24 GLN HA H 24 4.827 4.222 0.605 1
1 169 . 15 1 1 A 24 24 GLN CB C 24 33.411 30.771 2.640 1
1 176 . 15 1 1 A 24 24 GLN C C 24 175.822 175.450 0.372 1
1 179 . 15 1 1 A 25 25 LYS N N 25 126.960 121.707 5.253 1
1 180 . 15 1 1 A 25 25 LYS H H 25 8.655 8.036 0.619 1
1 181 . 15 1 1 A 25 25 LYS CA C 25 59.663 59.831 -0.168 1
1 182 . 15 1 1 A 25 25 LYS HA H 25 3.181 3.621 -0.440 1
1 183 . 15 1 1 A 25 25 LYS CB C 25 31.726 31.910 -0.184 1
1 191 . 15 1 1 A 25 25 LYS C C 25 178.371 177.834 0.537 1
1 196 . 15 1 1 A 26 26 SER CA C 26 60.933 61.365 -0.432 1
1 197 . 15 1 1 A 26 26 SER HA H 26 4.054 4.081 -0.027 1
1 198 . 15 1 1 A 26 26 SER CB C 26 61.498 62.964 -1.466 1
1 200 . 15 1 1 A 26 26 SER C C 26 176.882 176.875 0.007 1
1 202 . 15 1 1 A 27 27 ILE N N 27 123.952 121.563 2.389 1
1 203 . 15 1 1 A 27 27 ILE H H 27 6.655 7.378 -0.723 1
1 204 . 15 1 1 A 27 27 ILE CA C 27 63.774 64.308 -0.534 1
1 205 . 15 1 1 A 27 27 ILE HA H 27 3.765 3.663 0.102 1
1 206 . 15 1 1 A 27 27 ILE CB C 27 38.081 37.759 0.322 1
1 218 . 15 1 1 A 27 27 ILE C C 27 178.456 177.582 0.874 1
1 220 . 15 1 1 A 28 28 LEU N N 28 122.282 121.485 0.797 1
1 221 . 15 1 1 A 28 28 LEU H H 28 7.190 7.319 -0.129 1
1 222 . 15 1 1 A 28 28 LEU CA C 28 58.277 57.737 0.540 1
1 223 . 15 1 1 A 28 28 LEU HA H 28 3.322 2.608 0.714 1
1 224 . 15 1 1 A 28 28 LEU CB C 28 40.085 41.355 -1.270 1
1 236 . 15 1 1 A 28 28 LEU C C 28 178.134 178.317 -0.183 1
1 238 . 15 1 1 A 29 29 SER N N 29 114.752 114.242 0.510 1
1 239 . 15 1 1 A 29 29 SER H H 29 8.638 8.446 0.192 1
1 240 . 15 1 1 A 29 29 SER CA C 29 61.900 61.720 0.180 1
1 241 . 15 1 1 A 29 29 SER HA H 29 4.264 4.032 0.232 1
1 242 . 15 1 1 A 29 29 SER CB C 29 62.385 62.997 -0.612 1
1 244 . 15 1 1 A 29 29 SER C C 29 176.967 176.939 0.028 1
1 246 . 15 1 1 A 30 30 ALA N N 30 122.806 122.548 0.258 1
1 247 . 15 1 1 A 30 30 ALA H H 30 7.393 7.604 -0.211 1
1 248 . 15 1 1 A 30 30 ALA CA C 30 55.041 55.033 0.008 1
1 249 . 15 1 1 A 30 30 ALA HA H 30 4.023 3.993 0.030 1
1 250 . 15 1 1 A 30 30 ALA CB C 30 17.887 18.846 -0.959 1
1 254 . 15 1 1 A 30 30 ALA C C 30 180.298 179.405 0.893 1
1 255 . 15 1 1 A 31 31 HIS N N 31 118.698 118.003 0.695 1
1 256 . 15 1 1 A 31 31 HIS H H 31 7.914 7.749 0.165 1
1 257 . 15 1 1 A 31 31 HIS CA C 31 59.052 59.827 -0.775 1
1 258 . 15 1 1 A 31 31 HIS HA H 31 4.208 4.051 0.157 1
1 259 . 15 1 1 A 31 31 HIS CB C 31 27.517 30.029 -2.512 1
1 265 . 15 1 1 A 31 31 HIS C C 31 178.351 177.088 1.263 1
1 267 . 15 1 1 A 32 32 GLN N N 32 120.686 118.816 1.870 1
1 268 . 15 1 1 A 32 32 GLN H H 32 8.890 7.642 1.248 1
1 269 . 15 1 1 A 32 32 GLN CA C 32 59.965 59.041 0.924 1
1 270 . 15 1 1 A 32 32 GLN HA H 32 3.709 4.127 -0.418 1
1 271 . 15 1 1 A 32 32 GLN CB C 32 28.290 28.410 -0.120 1
1 278 . 15 1 1 A 32 32 GLN C C 32 178.061 178.644 -0.583 1
1 281 . 15 1 1 A 33 33 ARG N N 33 117.052 120.542 -3.490 1
1 282 . 15 1 1 A 33 33 ARG H H 33 7.224 8.011 -0.787 1
1 283 . 15 1 1 A 33 33 ARG CA C 33 58.375 59.406 -1.031 1
1 284 . 15 1 1 A 33 33 ARG HA H 33 4.174 3.954 0.220 1
1 285 . 15 1 1 A 33 33 ARG CB C 33 29.947 30.045 -0.098 1
1 291 . 15 1 1 A 33 33 ARG C C 33 178.118 179.062 -0.944 1
1 295 . 15 1 1 A 34 34 THR N N 34 109.534 113.836 -4.302 1
1 296 . 15 1 1 A 34 34 THR H H 34 7.712 7.693 0.019 1
1 297 . 15 1 1 A 34 34 THR CA C 34 63.776 65.208 -1.432 1
1 298 . 15 1 1 A 34 34 THR HA H 34 4.151 3.983 0.168 1
1 299 . 15 1 1 A 34 34 THR CB C 34 69.225 68.367 0.858 1
1 305 . 15 1 1 A 34 34 THR C C 34 175.617 176.693 -1.076 1
1 306 . 15 1 1 A 35 35 HIS N N 35 118.842 117.117 1.725 1
1 307 . 15 1 1 A 35 35 HIS H H 35 7.161 7.577 -0.416 1
1 308 . 15 1 1 A 35 35 HIS CA C 35 55.580 59.152 -3.572 1
1 309 . 15 1 1 A 35 35 HIS HA H 35 4.870 4.312 0.558 1
1 310 . 15 1 1 A 35 35 HIS CB C 35 28.690 29.795 -1.105 1
1 316 . 15 1 1 A 35 35 HIS C C 35 175.646 176.464 -0.818 1
1 318 . 15 1 1 A 36 36 THR N N 36 112.395 111.297 1.098 1
1 319 . 15 1 1 A 36 36 THR H H 36 7.833 8.005 -0.172 1
1 320 . 15 1 1 A 36 36 THR CA C 36 62.278 61.398 0.880 1
1 321 . 15 1 1 A 36 36 THR HA H 36 4.358 4.301 0.057 1
1 322 . 15 1 1 A 36 36 THR CB C 36 69.765 69.541 0.224 1
1 328 . 15 1 1 A 36 36 THR C C 36 175.309 174.490 0.819 1
1 329 . 15 1 1 A 37 37 GLY N N 37 110.931 115.377 -4.446 1
1 330 . 15 1 1 A 37 37 GLY H H 37 8.319 8.813 -0.494 1
1 331 . 15 1 1 A 37 37 GLY CA C 37 45.329 47.519 -2.190 1
1 332 . 15 1 1 A 37 37 GLY HA3 H 37 3.949 3.830 0.119 1
1 333 . 15 1 1 A 37 37 GLY C C 37 174.050 172.953 1.097 1
1 334 . 15 1 1 A 37 37 GLY HA2 H 37 4.011 3.825 0.186 1
1 335 . 15 1 1 A 38 38 GLU N N 38 120.677 124.495 -3.818 1
1 336 . 15 1 1 A 38 38 GLU H H 38 8.142 8.883 -0.741 1
1 337 . 15 1 1 A 38 38 GLU CA C 38 56.428 55.169 1.259 1
1 338 . 15 1 1 A 38 38 GLU HA H 38 4.236 4.850 -0.614 1
1 339 . 15 1 1 A 38 38 GLU CB C 38 30.536 30.657 -0.121 1
1 343 . 15 1 1 A 38 38 GLU C C 38 176.283 174.753 1.530 1
1 346 . 15 1 1 A 39 39 LYS N N 39 123.903 125.287 -1.384 1
1 347 . 15 1 1 A 39 39 LYS H H 39 8.440 8.284 0.156 1
1 348 . 15 1 1 A 39 39 LYS CA C 39 54.128 52.964 1.164 1
1 349 . 15 1 1 A 39 39 LYS HA H 39 4.602 4.823 -0.221 1
1 350 . 15 1 1 A 39 39 LYS CB C 39 32.498 34.923 -2.425 1
1 357 . 15 1 1 A 39 39 LYS C C 39 174.462 174.106 0.356 1
1 362 . 15 1 1 A 40 40 PRO CA C 40 63.208 62.648 0.560 1
1 363 . 15 1 1 A 40 40 PRO HA H 40 4.456 4.731 -0.275 1
1 364 . 15 1 1 A 40 40 PRO CB C 40 32.188 31.539 0.649 1
1 1 . 16 1 1 A 9 9 GLY CA C 9 45.275 45.249 0.026 1
1 2 . 16 1 1 A 9 9 GLY HA3 H 9 3.928 4.026 -0.098 1
1 3 . 16 1 1 A 9 9 GLY C C 9 174.122 175.179 -1.057 1
1 4 . 16 1 1 A 9 9 GLY HA2 H 9 3.928 4.009 -0.081 1
1 5 . 16 1 1 A 10 10 GLU N N 10 120.285 121.792 -1.507 1
1 6 . 16 1 1 A 10 10 GLU H H 10 8.221 8.052 0.169 1
1 7 . 16 1 1 A 10 10 GLU CA C 10 56.848 59.660 -2.812 1
1 8 . 16 1 1 A 10 10 GLU HA H 10 4.171 4.100 0.071 1
1 9 . 16 1 1 A 10 10 GLU CB C 10 30.334 29.824 0.510 1
1 13 . 16 1 1 A 10 10 GLU C C 10 176.429 176.794 -0.365 1
1 16 . 16 1 1 A 11 11 LYS N N 11 121.992 117.980 4.012 1
1 17 . 16 1 1 A 11 11 LYS H H 11 8.280 8.170 0.110 1
1 18 . 16 1 1 A 11 11 LYS CA C 11 53.934 53.927 0.007 1
1 19 . 16 1 1 A 11 11 LYS HA H 11 4.454 4.821 -0.367 1
1 20 . 16 1 1 A 11 11 LYS CB C 11 32.677 32.820 -0.143 1
1 28 . 16 1 1 A 11 11 LYS C C 11 174.147 174.779 -0.632 1
1 33 . 16 1 1 A 12 12 PRO CA C 12 63.503 63.952 -0.449 1
1 34 . 16 1 1 A 12 12 PRO HA H 12 4.262 4.405 -0.143 1
1 35 . 16 1 1 A 12 12 PRO CB C 12 32.320 31.428 0.892 1
1 41 . 16 1 1 A 12 12 PRO C C 12 176.429 175.570 0.859 1
1 45 . 16 1 1 A 13 13 TYR N N 13 118.187 119.434 -1.247 1
1 46 . 16 1 1 A 13 13 TYR H H 13 7.892 7.469 0.423 1
1 47 . 16 1 1 A 13 13 TYR CA C 13 57.274 56.285 0.989 1
1 48 . 16 1 1 A 13 13 TYR HA H 13 4.663 5.044 -0.381 1
1 49 . 16 1 1 A 13 13 TYR CB C 13 38.361 41.278 -2.917 1
1 59 . 16 1 1 A 13 13 TYR C C 13 175.189 175.464 -0.275 1
1 61 . 16 1 1 A 14 14 GLY N N 14 111.782 109.019 2.763 1
1 62 . 16 1 1 A 14 14 GLY H H 14 8.597 8.869 -0.272 1
1 63 . 16 1 1 A 14 14 GLY CA C 14 44.676 45.193 -0.517 1
1 64 . 16 1 1 A 14 14 GLY HA3 H 14 4.797 4.318 0.479 1
1 65 . 16 1 1 A 14 14 GLY C C 14 172.271 173.293 -1.022 1
1 66 . 16 1 1 A 14 14 GLY HA2 H 14 3.615 4.269 -0.654 1
1 67 . 16 1 1 A 15 15 CYS N N 15 123.965 125.158 -1.193 1
1 68 . 16 1 1 A 15 15 CYS H H 15 8.968 8.963 0.005 1
1 69 . 16 1 1 A 15 15 CYS CA C 15 58.757 59.965 -1.208 1
1 70 . 16 1 1 A 15 15 CYS HA H 15 4.630 4.428 0.202 1
1 71 . 16 1 1 A 15 15 CYS CB C 15 30.011 28.837 1.174 1
1 73 . 16 1 1 A 15 15 CYS C C 15 176.914 175.504 1.410 1
1 75 . 16 1 1 A 16 16 ASN N N 16 129.827 126.012 3.815 1
1 76 . 16 1 1 A 16 16 ASN H H 16 9.362 8.767 0.595 1
1 77 . 16 1 1 A 16 16 ASN CA C 16 55.380 53.020 2.360 1
1 78 . 16 1 1 A 16 16 ASN HA H 16 4.544 4.909 -0.365 1
1 79 . 16 1 1 A 16 16 ASN CB C 16 38.240 37.772 0.468 1
1 84 . 16 1 1 A 16 16 ASN C C 16 175.456 175.590 -0.134 1
1 86 . 16 1 1 A 17 17 GLU N N 17 121.083 118.561 2.522 1
1 87 . 16 1 1 A 17 17 GLU H H 17 8.748 7.953 0.795 1
1 88 . 16 1 1 A 17 17 GLU CA C 17 58.345 57.276 1.069 1
1 89 . 16 1 1 A 17 17 GLU HA H 17 4.217 4.486 -0.269 1
1 90 . 16 1 1 A 17 17 GLU CB C 17 29.773 31.888 -2.115 1
1 94 . 16 1 1 A 17 17 GLU C C 17 176.975 177.796 -0.821 1
1 97 . 16 1 1 A 18 18 CYS N N 18 114.669 114.949 -0.280 1
1 98 . 16 1 1 A 18 18 CYS H H 18 7.878 8.040 -0.162 1
1 99 . 16 1 1 A 18 18 CYS CA C 18 58.313 59.458 -1.145 1
1 100 . 16 1 1 A 18 18 CYS HA H 18 5.146 4.721 0.425 1
1 101 . 16 1 1 A 18 18 CYS CB C 18 32.383 30.237 2.146 1
1 103 . 16 1 1 A 18 18 CYS C C 18 176.098 175.409 0.689 1
1 105 . 16 1 1 A 19 19 GLY N N 19 112.778 110.210 2.568 1
1 106 . 16 1 1 A 19 19 GLY H H 19 8.223 7.741 0.482 1
1 107 . 16 1 1 A 19 19 GLY CA C 19 46.159 45.164 0.995 1
1 108 . 16 1 1 A 19 19 GLY HA3 H 19 4.206 4.054 0.152 1
1 109 . 16 1 1 A 19 19 GLY C C 19 174.359 174.053 0.306 1
1 110 . 16 1 1 A 19 19 GLY HA2 H 19 3.866 4.053 -0.187 1
1 111 . 16 1 1 A 20 20 LYS N N 20 122.671 119.508 3.163 1
1 112 . 16 1 1 A 20 20 LYS H H 20 7.991 7.852 0.139 1
1 113 . 16 1 1 A 20 20 LYS CA C 20 57.994 54.809 3.185 1
1 114 . 16 1 1 A 20 20 LYS HA H 20 4.072 4.409 -0.337 1
1 115 . 16 1 1 A 20 20 LYS CB C 20 34.147 33.864 0.283 1
1 123 . 16 1 1 A 20 20 LYS C C 20 174.631 176.239 -1.608 1
1 128 . 16 1 1 A 21 21 THR N N 21 109.348 114.966 -5.618 1
1 129 . 16 1 1 A 21 21 THR H H 21 7.448 8.415 -0.967 1
1 130 . 16 1 1 A 21 21 THR CA C 21 59.261 59.864 -0.603 1
1 131 . 16 1 1 A 21 21 THR HA H 21 4.996 5.131 -0.135 1
1 132 . 16 1 1 A 21 21 THR CB C 21 71.388 71.370 0.018 1
1 138 . 16 1 1 A 21 21 THR C C 21 173.342 173.388 -0.046 1
1 139 . 16 1 1 A 22 22 PHE N N 22 116.768 118.695 -1.927 1
1 140 . 16 1 1 A 22 22 PHE H H 22 8.559 8.297 0.262 1
1 141 . 16 1 1 A 22 22 PHE CA C 22 57.038 56.661 0.377 1
1 142 . 16 1 1 A 22 22 PHE HA H 22 4.860 4.902 -0.042 1
1 143 . 16 1 1 A 22 22 PHE CB C 22 43.966 42.845 1.121 1
1 155 . 16 1 1 A 22 22 PHE C C 22 175.846 175.965 -0.119 1
1 157 . 16 1 1 A 23 23 SER N N 23 115.194 118.415 -3.221 1
1 158 . 16 1 1 A 23 23 SER H H 23 9.413 8.801 0.612 1
1 159 . 16 1 1 A 23 23 SER CA C 23 60.308 61.387 -1.079 1
1 160 . 16 1 1 A 23 23 SER HA H 23 4.613 4.588 0.025 1
1 161 . 16 1 1 A 23 23 SER CB C 23 64.352 63.057 1.295 1
1 163 . 16 1 1 A 23 23 SER C C 23 174.181 174.810 -0.629 1
1 165 . 16 1 1 A 24 24 GLN N N 24 115.115 117.736 -2.621 1
1 166 . 16 1 1 A 24 24 GLN H H 24 7.028 7.664 -0.636 1
1 167 . 16 1 1 A 24 24 GLN CA C 24 54.225 53.994 0.231 1
1 168 . 16 1 1 A 24 24 GLN HA H 24 4.827 4.926 -0.099 1
1 169 . 16 1 1 A 24 24 GLN CB C 24 33.411 31.426 1.985 1
1 176 . 16 1 1 A 24 24 GLN C C 24 175.822 175.731 0.091 1
1 179 . 16 1 1 A 25 25 LYS N N 25 126.960 120.882 6.078 1
1 180 . 16 1 1 A 25 25 LYS H H 25 8.655 8.278 0.377 1
1 181 . 16 1 1 A 25 25 LYS CA C 25 59.663 59.585 0.078 1
1 182 . 16 1 1 A 25 25 LYS HA H 25 3.181 3.156 0.025 1
1 183 . 16 1 1 A 25 25 LYS CB C 25 31.726 31.457 0.269 1
1 191 . 16 1 1 A 25 25 LYS C C 25 178.371 177.595 0.776 1
1 196 . 16 1 1 A 26 26 SER CA C 26 60.933 61.354 -0.421 1
1 197 . 16 1 1 A 26 26 SER HA H 26 4.054 4.056 -0.002 1
1 198 . 16 1 1 A 26 26 SER CB C 26 61.498 63.056 -1.558 1
1 200 . 16 1 1 A 26 26 SER C C 26 176.882 176.870 0.012 1
1 202 . 16 1 1 A 27 27 ILE N N 27 123.952 121.562 2.390 1
1 203 . 16 1 1 A 27 27 ILE H H 27 6.655 7.396 -0.741 1
1 204 . 16 1 1 A 27 27 ILE CA C 27 63.774 64.222 -0.448 1
1 205 . 16 1 1 A 27 27 ILE HA H 27 3.765 3.688 0.077 1
1 206 . 16 1 1 A 27 27 ILE CB C 27 38.081 37.941 0.140 1
1 218 . 16 1 1 A 27 27 ILE C C 27 178.456 177.466 0.990 1
1 220 . 16 1 1 A 28 28 LEU N N 28 122.282 121.241 1.041 1
1 221 . 16 1 1 A 28 28 LEU H H 28 7.190 7.146 0.044 1
1 222 . 16 1 1 A 28 28 LEU CA C 28 58.277 57.221 1.056 1
1 223 . 16 1 1 A 28 28 LEU HA H 28 3.322 2.685 0.637 1
1 224 . 16 1 1 A 28 28 LEU CB C 28 40.085 41.356 -1.271 1
1 236 . 16 1 1 A 28 28 LEU C C 28 178.134 178.508 -0.374 1
1 238 . 16 1 1 A 29 29 SER N N 29 114.752 114.265 0.487 1
1 239 . 16 1 1 A 29 29 SER H H 29 8.638 8.209 0.429 1
1 240 . 16 1 1 A 29 29 SER CA C 29 61.900 61.500 0.400 1
1 241 . 16 1 1 A 29 29 SER HA H 29 4.264 3.959 0.305 1
1 242 . 16 1 1 A 29 29 SER CB C 29 62.385 62.910 -0.525 1
1 244 . 16 1 1 A 29 29 SER C C 29 176.967 177.222 -0.255 1
1 246 . 16 1 1 A 30 30 ALA N N 30 122.806 122.723 0.083 1
1 247 . 16 1 1 A 30 30 ALA H H 30 7.393 7.726 -0.333 1
1 248 . 16 1 1 A 30 30 ALA CA C 30 55.041 55.185 -0.144 1
1 249 . 16 1 1 A 30 30 ALA HA H 30 4.023 4.003 0.020 1
1 250 . 16 1 1 A 30 30 ALA CB C 30 17.887 18.227 -0.340 1
1 254 . 16 1 1 A 30 30 ALA C C 30 180.298 179.750 0.548 1
1 255 . 16 1 1 A 31 31 HIS N N 31 118.698 117.516 1.182 1
1 256 . 16 1 1 A 31 31 HIS H H 31 7.914 7.387 0.527 1
1 257 . 16 1 1 A 31 31 HIS CA C 31 59.052 59.203 -0.151 1
1 258 . 16 1 1 A 31 31 HIS HA H 31 4.208 4.236 -0.028 1
1 259 . 16 1 1 A 31 31 HIS CB C 31 27.517 29.497 -1.980 1
1 265 . 16 1 1 A 31 31 HIS C C 31 178.351 177.044 1.307 1
1 267 . 16 1 1 A 32 32 GLN N N 32 120.686 117.616 3.070 1
1 268 . 16 1 1 A 32 32 GLN H H 32 8.890 8.630 0.260 1
1 269 . 16 1 1 A 32 32 GLN CA C 32 59.965 59.087 0.878 1
1 270 . 16 1 1 A 32 32 GLN HA H 32 3.709 4.031 -0.322 1
1 271 . 16 1 1 A 32 32 GLN CB C 32 28.290 28.360 -0.070 1
1 278 . 16 1 1 A 32 32 GLN C C 32 178.061 178.694 -0.633 1
1 281 . 16 1 1 A 33 33 ARG N N 33 117.052 120.723 -3.671 1
1 282 . 16 1 1 A 33 33 ARG H H 33 7.224 7.569 -0.345 1
1 283 . 16 1 1 A 33 33 ARG CA C 33 58.375 59.229 -0.854 1
1 284 . 16 1 1 A 33 33 ARG HA H 33 4.174 4.024 0.150 1
1 285 . 16 1 1 A 33 33 ARG CB C 33 29.947 29.970 -0.023 1
1 291 . 16 1 1 A 33 33 ARG C C 33 178.118 177.271 0.847 1
1 295 . 16 1 1 A 34 34 THR N N 34 109.534 114.470 -4.936 1
1 296 . 16 1 1 A 34 34 THR H H 34 7.712 7.897 -0.185 1
1 297 . 16 1 1 A 34 34 THR CA C 34 63.776 62.453 1.323 1
1 298 . 16 1 1 A 34 34 THR HA H 34 4.151 4.201 -0.050 1
1 299 . 16 1 1 A 34 34 THR CB C 34 69.225 68.807 0.418 1
1 305 . 16 1 1 A 34 34 THR C C 34 175.617 175.035 0.582 1
1 306 . 16 1 1 A 35 35 HIS N N 35 118.842 120.425 -1.583 1
1 307 . 16 1 1 A 35 35 HIS H H 35 7.161 7.945 -0.784 1
1 308 . 16 1 1 A 35 35 HIS CA C 35 55.580 57.151 -1.571 1
1 309 . 16 1 1 A 35 35 HIS HA H 35 4.870 4.610 0.260 1
1 310 . 16 1 1 A 35 35 HIS CB C 35 28.690 31.920 -3.230 1
1 316 . 16 1 1 A 35 35 HIS C C 35 175.646 174.880 0.766 1
1 318 . 16 1 1 A 36 36 THR N N 36 112.395 113.143 -0.748 1
1 319 . 16 1 1 A 36 36 THR H H 36 7.833 7.942 -0.109 1
1 320 . 16 1 1 A 36 36 THR CA C 36 62.278 63.218 -0.940 1
1 321 . 16 1 1 A 36 36 THR HA H 36 4.358 4.211 0.147 1
1 322 . 16 1 1 A 36 36 THR CB C 36 69.765 69.400 0.365 1
1 328 . 16 1 1 A 36 36 THR C C 36 175.309 174.556 0.753 1
1 329 . 16 1 1 A 37 37 GLY N N 37 110.931 113.965 -3.034 1
1 330 . 16 1 1 A 37 37 GLY H H 37 8.319 8.382 -0.063 1
1 331 . 16 1 1 A 37 37 GLY CA C 37 45.329 44.687 0.642 1
1 332 . 16 1 1 A 37 37 GLY HA3 H 37 3.949 4.052 -0.103 1
1 333 . 16 1 1 A 37 37 GLY C C 37 174.050 173.923 0.127 1
1 334 . 16 1 1 A 37 37 GLY HA2 H 37 4.011 4.049 -0.038 1
1 335 . 16 1 1 A 38 38 GLU N N 38 120.677 125.006 -4.329 1
1 336 . 16 1 1 A 38 38 GLU H H 38 8.142 8.470 -0.328 1
1 337 . 16 1 1 A 38 38 GLU CA C 38 56.428 55.861 0.567 1
1 338 . 16 1 1 A 38 38 GLU HA H 38 4.236 4.560 -0.324 1
1 339 . 16 1 1 A 38 38 GLU CB C 38 30.536 28.459 2.077 1
1 343 . 16 1 1 A 38 38 GLU C C 38 176.283 175.513 0.770 1
1 346 . 16 1 1 A 39 39 LYS N N 39 123.903 125.341 -1.438 1
1 347 . 16 1 1 A 39 39 LYS H H 39 8.440 7.956 0.484 1
1 348 . 16 1 1 A 39 39 LYS CA C 39 54.128 53.113 1.015 1
1 349 . 16 1 1 A 39 39 LYS HA H 39 4.602 4.719 -0.117 1
1 350 . 16 1 1 A 39 39 LYS CB C 39 32.498 36.586 -4.088 1
1 357 . 16 1 1 A 39 39 LYS C C 39 174.462 173.961 0.501 1
1 362 . 16 1 1 A 40 40 PRO CA C 40 63.208 62.874 0.334 1
1 363 . 16 1 1 A 40 40 PRO HA H 40 4.456 4.795 -0.339 1
1 364 . 16 1 1 A 40 40 PRO CB C 40 32.188 31.658 0.530 1
1 1 . 17 1 1 A 9 9 GLY CA C 9 45.275 47.328 -2.053 1
1 2 . 17 1 1 A 9 9 GLY HA3 H 9 3.928 3.831 0.097 1
1 3 . 17 1 1 A 9 9 GLY C C 9 174.122 175.755 -1.633 1
1 4 . 17 1 1 A 9 9 GLY HA2 H 9 3.928 3.827 0.101 1
1 5 . 17 1 1 A 10 10 GLU N N 10 120.285 120.633 -0.348 1
1 6 . 17 1 1 A 10 10 GLU H H 10 8.221 7.876 0.345 1
1 7 . 17 1 1 A 10 10 GLU CA C 10 56.848 59.024 -2.176 1
1 8 . 17 1 1 A 10 10 GLU HA H 10 4.171 4.054 0.117 1
1 9 . 17 1 1 A 10 10 GLU CB C 10 30.334 29.660 0.674 1
1 13 . 17 1 1 A 10 10 GLU C C 10 176.429 176.851 -0.422 1
1 16 . 17 1 1 A 11 11 LYS N N 11 121.992 120.011 1.981 1
1 17 . 17 1 1 A 11 11 LYS H H 11 8.280 7.973 0.307 1
1 18 . 17 1 1 A 11 11 LYS CA C 11 53.934 53.914 0.020 1
1 19 . 17 1 1 A 11 11 LYS HA H 11 4.454 4.844 -0.390 1
1 20 . 17 1 1 A 11 11 LYS CB C 11 32.677 33.080 -0.403 1
1 28 . 17 1 1 A 11 11 LYS C C 11 174.147 174.872 -0.725 1
1 33 . 17 1 1 A 12 12 PRO CA C 12 63.503 63.998 -0.495 1
1 34 . 17 1 1 A 12 12 PRO HA H 12 4.262 4.472 -0.210 1
1 35 . 17 1 1 A 12 12 PRO CB C 12 32.320 31.599 0.721 1
1 41 . 17 1 1 A 12 12 PRO C C 12 176.429 175.700 0.729 1
1 45 . 17 1 1 A 13 13 TYR N N 13 118.187 119.420 -1.233 1
1 46 . 17 1 1 A 13 13 TYR H H 13 7.892 7.655 0.237 1
1 47 . 17 1 1 A 13 13 TYR CA C 13 57.274 56.167 1.107 1
1 48 . 17 1 1 A 13 13 TYR HA H 13 4.663 5.054 -0.391 1
1 49 . 17 1 1 A 13 13 TYR CB C 13 38.361 41.451 -3.090 1
1 59 . 17 1 1 A 13 13 TYR C C 13 175.189 175.687 -0.498 1
1 61 . 17 1 1 A 14 14 GLY N N 14 111.782 108.873 2.909 1
1 62 . 17 1 1 A 14 14 GLY H H 14 8.597 8.898 -0.301 1
1 63 . 17 1 1 A 14 14 GLY CA C 14 44.676 45.211 -0.535 1
1 64 . 17 1 1 A 14 14 GLY HA3 H 14 4.797 4.488 0.309 1
1 65 . 17 1 1 A 14 14 GLY C C 14 172.271 172.584 -0.313 1
1 66 . 17 1 1 A 14 14 GLY HA2 H 14 3.615 4.434 -0.819 1
1 67 . 17 1 1 A 15 15 CYS N N 15 123.965 121.022 2.943 1
1 68 . 17 1 1 A 15 15 CYS H H 15 8.968 9.176 -0.208 1
1 69 . 17 1 1 A 15 15 CYS CA C 15 58.757 59.521 -0.764 1
1 70 . 17 1 1 A 15 15 CYS HA H 15 4.630 4.623 0.007 1
1 71 . 17 1 1 A 15 15 CYS CB C 15 30.011 28.379 1.632 1
1 73 . 17 1 1 A 15 15 CYS C C 15 176.914 176.317 0.597 1
1 75 . 17 1 1 A 16 16 ASN N N 16 129.827 126.720 3.107 1
1 76 . 17 1 1 A 16 16 ASN H H 16 9.362 9.224 0.138 1
1 77 . 17 1 1 A 16 16 ASN CA C 16 55.380 52.535 2.845 1
1 78 . 17 1 1 A 16 16 ASN HA H 16 4.544 4.966 -0.422 1
1 79 . 17 1 1 A 16 16 ASN CB C 16 38.240 38.372 -0.132 1
1 84 . 17 1 1 A 16 16 ASN C C 16 175.456 176.165 -0.709 1
1 86 . 17 1 1 A 17 17 GLU N N 17 121.083 120.258 0.825 1
1 87 . 17 1 1 A 17 17 GLU H H 17 8.748 7.937 0.811 1
1 88 . 17 1 1 A 17 17 GLU CA C 17 58.345 56.999 1.346 1
1 89 . 17 1 1 A 17 17 GLU HA H 17 4.217 4.448 -0.231 1
1 90 . 17 1 1 A 17 17 GLU CB C 17 29.773 32.139 -2.366 1
1 94 . 17 1 1 A 17 17 GLU C C 17 176.975 177.669 -0.694 1
1 97 . 17 1 1 A 18 18 CYS N N 18 114.669 114.469 0.200 1
1 98 . 17 1 1 A 18 18 CYS H H 18 7.878 7.926 -0.048 1
1 99 . 17 1 1 A 18 18 CYS CA C 18 58.313 59.510 -1.197 1
1 100 . 17 1 1 A 18 18 CYS HA H 18 5.146 4.709 0.437 1
1 101 . 17 1 1 A 18 18 CYS CB C 18 32.383 29.877 2.506 1
1 103 . 17 1 1 A 18 18 CYS C C 18 176.098 175.470 0.628 1
1 105 . 17 1 1 A 19 19 GLY N N 19 112.778 109.318 3.460 1
1 106 . 17 1 1 A 19 19 GLY H H 19 8.223 7.914 0.309 1
1 107 . 17 1 1 A 19 19 GLY CA C 19 46.159 45.404 0.755 1
1 108 . 17 1 1 A 19 19 GLY HA3 H 19 4.206 4.048 0.158 1
1 109 . 17 1 1 A 19 19 GLY C C 19 174.359 174.802 -0.443 1
1 110 . 17 1 1 A 19 19 GLY HA2 H 19 3.866 4.042 -0.176 1
1 111 . 17 1 1 A 20 20 LYS N N 20 122.671 121.471 1.200 1
1 112 . 17 1 1 A 20 20 LYS H H 20 7.991 7.510 0.481 1
1 113 . 17 1 1 A 20 20 LYS CA C 20 57.994 57.469 0.525 1
1 114 . 17 1 1 A 20 20 LYS HA H 20 4.072 4.114 -0.042 1
1 115 . 17 1 1 A 20 20 LYS CB C 20 34.147 32.893 1.254 1
1 123 . 17 1 1 A 20 20 LYS C C 20 174.631 176.418 -1.787 1
1 128 . 17 1 1 A 21 21 THR N N 21 109.348 115.250 -5.902 1
1 129 . 17 1 1 A 21 21 THR H H 21 7.448 8.228 -0.780 1
1 130 . 17 1 1 A 21 21 THR CA C 21 59.261 59.593 -0.332 1
1 131 . 17 1 1 A 21 21 THR HA H 21 4.996 5.359 -0.363 1
1 132 . 17 1 1 A 21 21 THR CB C 21 71.388 71.818 -0.430 1
1 138 . 17 1 1 A 21 21 THR C C 21 173.342 173.195 0.147 1
1 139 . 17 1 1 A 22 22 PHE N N 22 116.768 118.500 -1.732 1
1 140 . 17 1 1 A 22 22 PHE H H 22 8.559 8.112 0.447 1
1 141 . 17 1 1 A 22 22 PHE CA C 22 57.038 56.802 0.236 1
1 142 . 17 1 1 A 22 22 PHE HA H 22 4.860 4.909 -0.049 1
1 143 . 17 1 1 A 22 22 PHE CB C 22 43.966 43.038 0.928 1
1 155 . 17 1 1 A 22 22 PHE C C 22 175.846 175.575 0.271 1
1 157 . 17 1 1 A 23 23 SER N N 23 115.194 117.914 -2.720 1
1 158 . 17 1 1 A 23 23 SER H H 23 9.413 8.927 0.486 1
1 159 . 17 1 1 A 23 23 SER CA C 23 60.308 61.534 -1.226 1
1 160 . 17 1 1 A 23 23 SER HA H 23 4.613 4.629 -0.016 1
1 161 . 17 1 1 A 23 23 SER CB C 23 64.352 63.244 1.108 1
1 163 . 17 1 1 A 23 23 SER C C 23 174.181 174.082 0.099 1
1 165 . 17 1 1 A 24 24 GLN N N 24 115.115 114.896 0.219 1
1 166 . 17 1 1 A 24 24 GLN H H 24 7.028 7.537 -0.509 1
1 167 . 17 1 1 A 24 24 GLN CA C 24 54.225 53.672 0.553 1
1 168 . 17 1 1 A 24 24 GLN HA H 24 4.827 4.382 0.445 1
1 169 . 17 1 1 A 24 24 GLN CB C 24 33.411 30.788 2.623 1
1 176 . 17 1 1 A 24 24 GLN C C 24 175.822 175.651 0.171 1
1 179 . 17 1 1 A 25 25 LYS N N 25 126.960 120.280 6.680 1
1 180 . 17 1 1 A 25 25 LYS H H 25 8.655 8.255 0.400 1
1 181 . 17 1 1 A 25 25 LYS CA C 25 59.663 58.907 0.756 1
1 182 . 17 1 1 A 25 25 LYS HA H 25 3.181 3.520 -0.339 1
1 183 . 17 1 1 A 25 25 LYS CB C 25 31.726 32.049 -0.323 1
1 191 . 17 1 1 A 25 25 LYS C C 25 178.371 177.781 0.590 1
1 196 . 17 1 1 A 26 26 SER CA C 26 60.933 61.301 -0.368 1
1 197 . 17 1 1 A 26 26 SER HA H 26 4.054 4.098 -0.044 1
1 198 . 17 1 1 A 26 26 SER CB C 26 61.498 62.921 -1.423 1
1 200 . 17 1 1 A 26 26 SER C C 26 176.882 176.775 0.107 1
1 202 . 17 1 1 A 27 27 ILE N N 27 123.952 121.257 2.695 1
1 203 . 17 1 1 A 27 27 ILE H H 27 6.655 7.550 -0.895 1
1 204 . 17 1 1 A 27 27 ILE CA C 27 63.774 64.271 -0.497 1
1 205 . 17 1 1 A 27 27 ILE HA H 27 3.765 3.700 0.065 1
1 206 . 17 1 1 A 27 27 ILE CB C 27 38.081 37.855 0.226 1
1 218 . 17 1 1 A 27 27 ILE C C 27 178.456 177.357 1.099 1
1 220 . 17 1 1 A 28 28 LEU N N 28 122.282 121.486 0.796 1
1 221 . 17 1 1 A 28 28 LEU H H 28 7.190 7.330 -0.140 1
1 222 . 17 1 1 A 28 28 LEU CA C 28 58.277 57.743 0.534 1
1 223 . 17 1 1 A 28 28 LEU HA H 28 3.322 2.725 0.597 1
1 224 . 17 1 1 A 28 28 LEU CB C 28 40.085 41.305 -1.220 1
1 236 . 17 1 1 A 28 28 LEU C C 28 178.134 178.225 -0.091 1
1 238 . 17 1 1 A 29 29 SER N N 29 114.752 114.075 0.677 1
1 239 . 17 1 1 A 29 29 SER H H 29 8.638 8.468 0.170 1
1 240 . 17 1 1 A 29 29 SER CA C 29 61.900 61.729 0.171 1
1 241 . 17 1 1 A 29 29 SER HA H 29 4.264 4.026 0.238 1
1 242 . 17 1 1 A 29 29 SER CB C 29 62.385 63.068 -0.683 1
1 244 . 17 1 1 A 29 29 SER C C 29 176.967 176.901 0.066 1
1 246 . 17 1 1 A 30 30 ALA N N 30 122.806 122.543 0.263 1
1 247 . 17 1 1 A 30 30 ALA H H 30 7.393 7.989 -0.596 1
1 248 . 17 1 1 A 30 30 ALA CA C 30 55.041 55.030 0.011 1
1 249 . 17 1 1 A 30 30 ALA HA H 30 4.023 3.971 0.052 1
1 250 . 17 1 1 A 30 30 ALA CB C 30 17.887 18.815 -0.928 1
1 254 . 17 1 1 A 30 30 ALA C C 30 180.298 179.543 0.755 1
1 255 . 17 1 1 A 31 31 HIS N N 31 118.698 118.226 0.472 1
1 256 . 17 1 1 A 31 31 HIS H H 31 7.914 7.758 0.156 1
1 257 . 17 1 1 A 31 31 HIS CA C 31 59.052 59.861 -0.809 1
1 258 . 17 1 1 A 31 31 HIS HA H 31 4.208 4.039 0.169 1
1 259 . 17 1 1 A 31 31 HIS CB C 31 27.517 30.028 -2.511 1
1 265 . 17 1 1 A 31 31 HIS C C 31 178.351 177.061 1.290 1
1 267 . 17 1 1 A 32 32 GLN N N 32 120.686 118.855 1.831 1
1 268 . 17 1 1 A 32 32 GLN H H 32 8.890 7.735 1.155 1
1 269 . 17 1 1 A 32 32 GLN CA C 32 59.965 58.590 1.375 1
1 270 . 17 1 1 A 32 32 GLN HA H 32 3.709 4.201 -0.492 1
1 271 . 17 1 1 A 32 32 GLN CB C 32 28.290 28.868 -0.578 1
1 278 . 17 1 1 A 32 32 GLN C C 32 178.061 178.492 -0.431 1
1 281 . 17 1 1 A 33 33 ARG N N 33 117.052 120.300 -3.248 1
1 282 . 17 1 1 A 33 33 ARG H H 33 7.224 7.894 -0.670 1
1 283 . 17 1 1 A 33 33 ARG CA C 33 58.375 59.259 -0.884 1
1 284 . 17 1 1 A 33 33 ARG HA H 33 4.174 4.094 0.080 1
1 285 . 17 1 1 A 33 33 ARG CB C 33 29.947 30.092 -0.145 1
1 291 . 17 1 1 A 33 33 ARG C C 33 178.118 178.634 -0.516 1
1 295 . 17 1 1 A 34 34 THR N N 34 109.534 115.032 -5.498 1
1 296 . 17 1 1 A 34 34 THR H H 34 7.712 7.374 0.338 1
1 297 . 17 1 1 A 34 34 THR CA C 34 63.776 65.019 -1.243 1
1 298 . 17 1 1 A 34 34 THR HA H 34 4.151 3.979 0.172 1
1 299 . 17 1 1 A 34 34 THR CB C 34 69.225 68.739 0.486 1
1 305 . 17 1 1 A 34 34 THR C C 34 175.617 176.418 -0.801 1
1 306 . 17 1 1 A 35 35 HIS N N 35 118.842 119.578 -0.736 1
1 307 . 17 1 1 A 35 35 HIS H H 35 7.161 7.884 -0.723 1
1 308 . 17 1 1 A 35 35 HIS CA C 35 55.580 59.457 -3.877 1
1 309 . 17 1 1 A 35 35 HIS HA H 35 4.870 4.296 0.574 1
1 310 . 17 1 1 A 35 35 HIS CB C 35 28.690 30.093 -1.403 1
1 316 . 17 1 1 A 35 35 HIS C C 35 175.646 177.702 -2.056 1
1 318 . 17 1 1 A 36 36 THR N N 36 112.395 113.529 -1.134 1
1 319 . 17 1 1 A 36 36 THR H H 36 7.833 7.784 0.049 1
1 320 . 17 1 1 A 36 36 THR CA C 36 62.278 64.860 -2.582 1
1 321 . 17 1 1 A 36 36 THR HA H 36 4.358 4.125 0.233 1
1 322 . 17 1 1 A 36 36 THR CB C 36 69.765 69.615 0.150 1
1 328 . 17 1 1 A 36 36 THR C C 36 175.309 174.708 0.601 1
1 329 . 17 1 1 A 37 37 GLY N N 37 110.931 108.861 2.070 1
1 330 . 17 1 1 A 37 37 GLY H H 37 8.319 7.877 0.442 1
1 331 . 17 1 1 A 37 37 GLY CA C 37 45.329 45.316 0.013 1
1 332 . 17 1 1 A 37 37 GLY HA3 H 37 3.949 3.915 0.034 1
1 333 . 17 1 1 A 37 37 GLY C C 37 174.050 173.489 0.561 1
1 334 . 17 1 1 A 37 37 GLY HA2 H 37 4.011 3.912 0.099 1
1 335 . 17 1 1 A 38 38 GLU N N 38 120.677 120.343 0.334 1
1 336 . 17 1 1 A 38 38 GLU H H 38 8.142 8.567 -0.425 1
1 337 . 17 1 1 A 38 38 GLU CA C 38 56.428 55.519 0.909 1
1 338 . 17 1 1 A 38 38 GLU HA H 38 4.236 4.784 -0.548 1
1 339 . 17 1 1 A 38 38 GLU CB C 38 30.536 30.519 0.017 1
1 343 . 17 1 1 A 38 38 GLU C C 38 176.283 174.564 1.719 1
1 346 . 17 1 1 A 39 39 LYS N N 39 123.903 125.564 -1.661 1
1 347 . 17 1 1 A 39 39 LYS H H 39 8.440 8.489 -0.049 1
1 348 . 17 1 1 A 39 39 LYS CA C 39 54.128 52.776 1.352 1
1 349 . 17 1 1 A 39 39 LYS HA H 39 4.602 4.757 -0.155 1
1 350 . 17 1 1 A 39 39 LYS CB C 39 32.498 35.838 -3.340 1
1 357 . 17 1 1 A 39 39 LYS C C 39 174.462 175.703 -1.241 1
1 362 . 17 1 1 A 40 40 PRO CA C 40 63.208 63.963 -0.755 1
1 363 . 17 1 1 A 40 40 PRO HA H 40 4.456 4.545 -0.089 1
1 364 . 17 1 1 A 40 40 PRO CB C 40 32.188 31.968 0.220 1
1 1 . 18 1 1 A 9 9 GLY CA C 9 45.275 45.946 -0.671 1
1 2 . 18 1 1 A 9 9 GLY HA3 H 9 3.928 3.994 -0.066 1
1 3 . 18 1 1 A 9 9 GLY C C 9 174.122 173.299 0.823 1
1 4 . 18 1 1 A 9 9 GLY HA2 H 9 3.928 3.976 -0.048 1
1 5 . 18 1 1 A 10 10 GLU N N 10 120.285 121.809 -1.524 1
1 6 . 18 1 1 A 10 10 GLU H H 10 8.221 8.436 -0.215 1
1 7 . 18 1 1 A 10 10 GLU CA C 10 56.848 54.902 1.946 1
1 8 . 18 1 1 A 10 10 GLU HA H 10 4.171 5.001 -0.830 1
1 9 . 18 1 1 A 10 10 GLU CB C 10 30.334 31.703 -1.369 1
1 13 . 18 1 1 A 10 10 GLU C C 10 176.429 175.446 0.983 1
1 16 . 18 1 1 A 11 11 LYS N N 11 121.992 119.017 2.975 1
1 17 . 18 1 1 A 11 11 LYS H H 11 8.280 8.899 -0.619 1
1 18 . 18 1 1 A 11 11 LYS CA C 11 53.934 56.908 -2.974 1
1 19 . 18 1 1 A 11 11 LYS HA H 11 4.454 3.950 0.504 1
1 20 . 18 1 1 A 11 11 LYS CB C 11 32.677 30.566 2.111 1
1 28 . 18 1 1 A 11 11 LYS C C 11 174.147 176.876 -2.729 1
1 33 . 18 1 1 A 12 12 PRO CA C 12 63.503 64.713 -1.210 1
1 34 . 18 1 1 A 12 12 PRO HA H 12 4.262 4.536 -0.274 1
1 35 . 18 1 1 A 12 12 PRO CB C 12 32.320 31.447 0.873 1
1 41 . 18 1 1 A 12 12 PRO C C 12 176.429 175.830 0.599 1
1 45 . 18 1 1 A 13 13 TYR N N 13 118.187 118.994 -0.807 1
1 46 . 18 1 1 A 13 13 TYR H H 13 7.892 7.741 0.151 1
1 47 . 18 1 1 A 13 13 TYR CA C 13 57.274 57.046 0.228 1
1 48 . 18 1 1 A 13 13 TYR HA H 13 4.663 4.853 -0.190 1
1 49 . 18 1 1 A 13 13 TYR CB C 13 38.361 40.040 -1.679 1
1 59 . 18 1 1 A 13 13 TYR C C 13 175.189 176.125 -0.936 1
1 61 . 18 1 1 A 14 14 GLY N N 14 111.782 110.565 1.217 1
1 62 . 18 1 1 A 14 14 GLY H H 14 8.597 8.951 -0.354 1
1 63 . 18 1 1 A 14 14 GLY CA C 14 44.676 44.997 -0.321 1
1 64 . 18 1 1 A 14 14 GLY HA3 H 14 4.797 4.326 0.471 1
1 65 . 18 1 1 A 14 14 GLY C C 14 172.271 173.464 -1.193 1
1 66 . 18 1 1 A 14 14 GLY HA2 H 14 3.615 4.305 -0.690 1
1 67 . 18 1 1 A 15 15 CYS N N 15 123.965 125.369 -1.404 1
1 68 . 18 1 1 A 15 15 CYS H H 15 8.968 8.801 0.167 1
1 69 . 18 1 1 A 15 15 CYS CA C 15 58.757 60.088 -1.331 1
1 70 . 18 1 1 A 15 15 CYS HA H 15 4.630 4.508 0.122 1
1 71 . 18 1 1 A 15 15 CYS CB C 15 30.011 29.000 1.011 1
1 73 . 18 1 1 A 15 15 CYS C C 15 176.914 176.380 0.534 1
1 75 . 18 1 1 A 16 16 ASN N N 16 129.827 126.634 3.193 1
1 76 . 18 1 1 A 16 16 ASN H H 16 9.362 9.199 0.163 1
1 77 . 18 1 1 A 16 16 ASN CA C 16 55.380 52.310 3.070 1
1 78 . 18 1 1 A 16 16 ASN HA H 16 4.544 4.893 -0.349 1
1 79 . 18 1 1 A 16 16 ASN CB C 16 38.240 37.479 0.761 1
1 84 . 18 1 1 A 16 16 ASN C C 16 175.456 176.304 -0.848 1
1 86 . 18 1 1 A 17 17 GLU N N 17 121.083 120.366 0.717 1
1 87 . 18 1 1 A 17 17 GLU H H 17 8.748 7.956 0.792 1
1 88 . 18 1 1 A 17 17 GLU CA C 17 58.345 57.243 1.102 1
1 89 . 18 1 1 A 17 17 GLU HA H 17 4.217 4.429 -0.212 1
1 90 . 18 1 1 A 17 17 GLU CB C 17 29.773 31.933 -2.160 1
1 94 . 18 1 1 A 17 17 GLU C C 17 176.975 177.652 -0.677 1
1 97 . 18 1 1 A 18 18 CYS N N 18 114.669 114.786 -0.117 1
1 98 . 18 1 1 A 18 18 CYS H H 18 7.878 7.938 -0.060 1
1 99 . 18 1 1 A 18 18 CYS CA C 18 58.313 59.483 -1.170 1
1 100 . 18 1 1 A 18 18 CYS HA H 18 5.146 4.636 0.510 1
1 101 . 18 1 1 A 18 18 CYS CB C 18 32.383 29.929 2.454 1
1 103 . 18 1 1 A 18 18 CYS C C 18 176.098 175.420 0.678 1
1 105 . 18 1 1 A 19 19 GLY N N 19 112.778 110.045 2.733 1
1 106 . 18 1 1 A 19 19 GLY H H 19 8.223 8.024 0.199 1
1 107 . 18 1 1 A 19 19 GLY CA C 19 46.159 45.142 1.017 1
1 108 . 18 1 1 A 19 19 GLY HA3 H 19 4.206 4.052 0.154 1
1 109 . 18 1 1 A 19 19 GLY C C 19 174.359 174.113 0.246 1
1 110 . 18 1 1 A 19 19 GLY HA2 H 19 3.866 4.051 -0.185 1
1 111 . 18 1 1 A 20 20 LYS N N 20 122.671 119.363 3.308 1
1 112 . 18 1 1 A 20 20 LYS H H 20 7.991 7.371 0.620 1
1 113 . 18 1 1 A 20 20 LYS CA C 20 57.994 55.010 2.984 1
1 114 . 18 1 1 A 20 20 LYS HA H 20 4.072 4.506 -0.434 1
1 115 . 18 1 1 A 20 20 LYS CB C 20 34.147 34.297 -0.150 1
1 123 . 18 1 1 A 20 20 LYS C C 20 174.631 175.305 -0.674 1
1 128 . 18 1 1 A 21 21 THR N N 21 109.348 111.293 -1.945 1
1 129 . 18 1 1 A 21 21 THR H H 21 7.448 8.389 -0.941 1
1 130 . 18 1 1 A 21 21 THR CA C 21 59.261 59.210 0.051 1
1 131 . 18 1 1 A 21 21 THR HA H 21 4.996 5.341 -0.345 1
1 132 . 18 1 1 A 21 21 THR CB C 21 71.388 72.103 -0.715 1
1 138 . 18 1 1 A 21 21 THR C C 21 173.342 173.223 0.119 1
1 139 . 18 1 1 A 22 22 PHE N N 22 116.768 118.644 -1.876 1
1 140 . 18 1 1 A 22 22 PHE H H 22 8.559 8.445 0.114 1
1 141 . 18 1 1 A 22 22 PHE CA C 22 57.038 56.781 0.257 1
1 142 . 18 1 1 A 22 22 PHE HA H 22 4.860 4.900 -0.040 1
1 143 . 18 1 1 A 22 22 PHE CB C 22 43.966 42.766 1.200 1
1 155 . 18 1 1 A 22 22 PHE C C 22 175.846 175.790 0.056 1
1 157 . 18 1 1 A 23 23 SER N N 23 115.194 119.241 -4.047 1
1 158 . 18 1 1 A 23 23 SER H H 23 9.413 8.804 0.609 1
1 159 . 18 1 1 A 23 23 SER CA C 23 60.308 61.425 -1.117 1
1 160 . 18 1 1 A 23 23 SER HA H 23 4.613 4.439 0.174 1
1 161 . 18 1 1 A 23 23 SER CB C 23 64.352 63.129 1.223 1
1 163 . 18 1 1 A 23 23 SER C C 23 174.181 174.181 0.000 1
1 165 . 18 1 1 A 24 24 GLN N N 24 115.115 115.550 -0.435 1
1 166 . 18 1 1 A 24 24 GLN H H 24 7.028 7.558 -0.530 1
1 167 . 18 1 1 A 24 24 GLN CA C 24 54.225 54.082 0.143 1
1 168 . 18 1 1 A 24 24 GLN HA H 24 4.827 4.629 0.198 1
1 169 . 18 1 1 A 24 24 GLN CB C 24 33.411 30.835 2.576 1
1 176 . 18 1 1 A 24 24 GLN C C 24 175.822 175.583 0.239 1
1 179 . 18 1 1 A 25 25 LYS N N 25 126.960 121.681 5.279 1
1 180 . 18 1 1 A 25 25 LYS H H 25 8.655 8.372 0.283 1
1 181 . 18 1 1 A 25 25 LYS CA C 25 59.663 59.079 0.584 1
1 182 . 18 1 1 A 25 25 LYS HA H 25 3.181 3.355 -0.174 1
1 183 . 18 1 1 A 25 25 LYS CB C 25 31.726 31.803 -0.077 1
1 191 . 18 1 1 A 25 25 LYS C C 25 178.371 177.736 0.635 1
1 196 . 18 1 1 A 26 26 SER CA C 26 60.933 61.291 -0.358 1
1 197 . 18 1 1 A 26 26 SER HA H 26 4.054 4.077 -0.023 1
1 198 . 18 1 1 A 26 26 SER CB C 26 61.498 62.994 -1.496 1
1 200 . 18 1 1 A 26 26 SER C C 26 176.882 176.562 0.320 1
1 202 . 18 1 1 A 27 27 ILE N N 27 123.952 121.387 2.565 1
1 203 . 18 1 1 A 27 27 ILE H H 27 6.655 7.071 -0.416 1
1 204 . 18 1 1 A 27 27 ILE CA C 27 63.774 64.097 -0.323 1
1 205 . 18 1 1 A 27 27 ILE HA H 27 3.765 3.701 0.064 1
1 206 . 18 1 1 A 27 27 ILE CB C 27 38.081 37.936 0.145 1
1 218 . 18 1 1 A 27 27 ILE C C 27 178.456 177.327 1.129 1
1 220 . 18 1 1 A 28 28 LEU N N 28 122.282 121.378 0.904 1
1 221 . 18 1 1 A 28 28 LEU H H 28 7.190 7.331 -0.141 1
1 222 . 18 1 1 A 28 28 LEU CA C 28 58.277 57.719 0.558 1
1 223 . 18 1 1 A 28 28 LEU HA H 28 3.322 2.725 0.597 1
1 224 . 18 1 1 A 28 28 LEU CB C 28 40.085 41.233 -1.148 1
1 236 . 18 1 1 A 28 28 LEU C C 28 178.134 178.177 -0.043 1
1 238 . 18 1 1 A 29 29 SER N N 29 114.752 114.096 0.656 1
1 239 . 18 1 1 A 29 29 SER H H 29 8.638 8.417 0.221 1
1 240 . 18 1 1 A 29 29 SER CA C 29 61.900 61.726 0.174 1
1 241 . 18 1 1 A 29 29 SER HA H 29 4.264 4.039 0.225 1
1 242 . 18 1 1 A 29 29 SER CB C 29 62.385 63.008 -0.623 1
1 244 . 18 1 1 A 29 29 SER C C 29 176.967 176.970 -0.003 1
1 246 . 18 1 1 A 30 30 ALA N N 30 122.806 122.333 0.473 1
1 247 . 18 1 1 A 30 30 ALA H H 30 7.393 8.022 -0.629 1
1 248 . 18 1 1 A 30 30 ALA CA C 30 55.041 55.276 -0.235 1
1 249 . 18 1 1 A 30 30 ALA HA H 30 4.023 3.940 0.083 1
1 250 . 18 1 1 A 30 30 ALA CB C 30 17.887 18.705 -0.818 1
1 254 . 18 1 1 A 30 30 ALA C C 30 180.298 179.568 0.730 1
1 255 . 18 1 1 A 31 31 HIS N N 31 118.698 117.915 0.783 1
1 256 . 18 1 1 A 31 31 HIS H H 31 7.914 7.703 0.211 1
1 257 . 18 1 1 A 31 31 HIS CA C 31 59.052 59.713 -0.661 1
1 258 . 18 1 1 A 31 31 HIS HA H 31 4.208 4.068 0.140 1
1 259 . 18 1 1 A 31 31 HIS CB C 31 27.517 29.860 -2.343 1
1 265 . 18 1 1 A 31 31 HIS C C 31 178.351 176.961 1.390 1
1 267 . 18 1 1 A 32 32 GLN N N 32 120.686 118.884 1.802 1
1 268 . 18 1 1 A 32 32 GLN H H 32 8.890 7.941 0.949 1
1 269 . 18 1 1 A 32 32 GLN CA C 32 59.965 58.369 1.596 1
1 270 . 18 1 1 A 32 32 GLN HA H 32 3.709 4.281 -0.572 1
1 271 . 18 1 1 A 32 32 GLN CB C 32 28.290 28.378 -0.088 1
1 278 . 18 1 1 A 32 32 GLN C C 32 178.061 178.342 -0.281 1
1 281 . 18 1 1 A 33 33 ARG N N 33 117.052 120.513 -3.461 1
1 282 . 18 1 1 A 33 33 ARG H H 33 7.224 8.033 -0.809 1
1 283 . 18 1 1 A 33 33 ARG CA C 33 58.375 59.498 -1.123 1
1 284 . 18 1 1 A 33 33 ARG HA H 33 4.174 3.988 0.186 1
1 285 . 18 1 1 A 33 33 ARG CB C 33 29.947 29.803 0.144 1
1 291 . 18 1 1 A 33 33 ARG C C 33 178.118 179.249 -1.131 1
1 295 . 18 1 1 A 34 34 THR N N 34 109.534 113.919 -4.385 1
1 296 . 18 1 1 A 34 34 THR H H 34 7.712 7.149 0.563 1
1 297 . 18 1 1 A 34 34 THR CA C 34 63.776 65.173 -1.397 1
1 298 . 18 1 1 A 34 34 THR HA H 34 4.151 3.942 0.209 1
1 299 . 18 1 1 A 34 34 THR CB C 34 69.225 68.523 0.702 1
1 305 . 18 1 1 A 34 34 THR C C 34 175.617 176.518 -0.901 1
1 306 . 18 1 1 A 35 35 HIS N N 35 118.842 117.481 1.361 1
1 307 . 18 1 1 A 35 35 HIS H H 35 7.161 7.391 -0.230 1
1 308 . 18 1 1 A 35 35 HIS CA C 35 55.580 58.738 -3.158 1
1 309 . 18 1 1 A 35 35 HIS HA H 35 4.870 4.368 0.502 1
1 310 . 18 1 1 A 35 35 HIS CB C 35 28.690 30.142 -1.452 1
1 316 . 18 1 1 A 35 35 HIS C C 35 175.646 176.383 -0.737 1
1 318 . 18 1 1 A 36 36 THR N N 36 112.395 112.329 0.066 1
1 319 . 18 1 1 A 36 36 THR H H 36 7.833 7.809 0.024 1
1 320 . 18 1 1 A 36 36 THR CA C 36 62.278 62.484 -0.206 1
1 321 . 18 1 1 A 36 36 THR HA H 36 4.358 4.160 0.198 1
1 322 . 18 1 1 A 36 36 THR CB C 36 69.765 69.680 0.085 1
1 328 . 18 1 1 A 36 36 THR C C 36 175.309 174.670 0.639 1
1 329 . 18 1 1 A 37 37 GLY N N 37 110.931 114.410 -3.479 1
1 330 . 18 1 1 A 37 37 GLY H H 37 8.319 8.529 -0.210 1
1 331 . 18 1 1 A 37 37 GLY CA C 37 45.329 45.048 0.281 1
1 332 . 18 1 1 A 37 37 GLY HA3 H 37 3.949 4.080 -0.131 1
1 333 . 18 1 1 A 37 37 GLY C C 37 174.050 174.964 -0.914 1
1 334 . 18 1 1 A 37 37 GLY HA2 H 37 4.011 4.077 -0.066 1
1 335 . 18 1 1 A 38 38 GLU N N 38 120.677 120.670 0.007 1
1 336 . 18 1 1 A 38 38 GLU H H 38 8.142 8.629 -0.487 1
1 337 . 18 1 1 A 38 38 GLU CA C 38 56.428 55.666 0.762 1
1 338 . 18 1 1 A 38 38 GLU HA H 38 4.236 4.581 -0.345 1
1 339 . 18 1 1 A 38 38 GLU CB C 38 30.536 29.436 1.100 1
1 343 . 18 1 1 A 38 38 GLU C C 38 176.283 175.454 0.829 1
1 346 . 18 1 1 A 39 39 LYS N N 39 123.903 120.538 3.365 1
1 347 . 18 1 1 A 39 39 LYS H H 39 8.440 7.444 0.996 1
1 348 . 18 1 1 A 39 39 LYS CA C 39 54.128 53.454 0.674 1
1 349 . 18 1 1 A 39 39 LYS HA H 39 4.602 4.635 -0.033 1
1 350 . 18 1 1 A 39 39 LYS CB C 39 32.498 36.153 -3.655 1
1 357 . 18 1 1 A 39 39 LYS C C 39 174.462 175.203 -0.741 1
1 362 . 18 1 1 A 40 40 PRO CA C 40 63.208 65.069 -1.861 1
1 363 . 18 1 1 A 40 40 PRO HA H 40 4.456 4.338 0.118 1
1 364 . 18 1 1 A 40 40 PRO CB C 40 32.188 32.071 0.117 1
1 1 . 19 1 1 A 9 9 GLY CA C 9 45.275 45.586 -0.311 1
1 2 . 19 1 1 A 9 9 GLY HA3 H 9 3.928 4.033 -0.105 1
1 3 . 19 1 1 A 9 9 GLY C C 9 174.122 172.962 1.160 1
1 4 . 19 1 1 A 9 9 GLY HA2 H 9 3.928 4.023 -0.095 1
1 5 . 19 1 1 A 10 10 GLU N N 10 120.285 122.307 -2.022 1
1 6 . 19 1 1 A 10 10 GLU H H 10 8.221 8.750 -0.529 1
1 7 . 19 1 1 A 10 10 GLU CA C 10 56.848 54.748 2.100 1
1 8 . 19 1 1 A 10 10 GLU HA H 10 4.171 4.580 -0.409 1
1 9 . 19 1 1 A 10 10 GLU CB C 10 30.334 28.567 1.767 1
1 13 . 19 1 1 A 10 10 GLU C C 10 176.429 176.409 0.020 1
1 16 . 19 1 1 A 11 11 LYS N N 11 121.992 122.589 -0.597 1
1 17 . 19 1 1 A 11 11 LYS H H 11 8.280 8.862 -0.582 1
1 18 . 19 1 1 A 11 11 LYS CA C 11 53.934 56.762 -2.828 1
1 19 . 19 1 1 A 11 11 LYS HA H 11 4.454 4.212 0.242 1
1 20 . 19 1 1 A 11 11 LYS CB C 11 32.677 30.318 2.359 1
1 28 . 19 1 1 A 11 11 LYS C C 11 174.147 176.504 -2.357 1
1 33 . 19 1 1 A 12 12 PRO CA C 12 63.503 64.577 -1.074 1
1 34 . 19 1 1 A 12 12 PRO HA H 12 4.262 4.506 -0.244 1
1 35 . 19 1 1 A 12 12 PRO CB C 12 32.320 31.380 0.940 1
1 41 . 19 1 1 A 12 12 PRO C C 12 176.429 175.851 0.578 1
1 45 . 19 1 1 A 13 13 TYR N N 13 118.187 119.123 -0.936 1
1 46 . 19 1 1 A 13 13 TYR H H 13 7.892 7.588 0.304 1
1 47 . 19 1 1 A 13 13 TYR CA C 13 57.274 56.549 0.725 1
1 48 . 19 1 1 A 13 13 TYR HA H 13 4.663 5.025 -0.362 1
1 49 . 19 1 1 A 13 13 TYR CB C 13 38.361 40.417 -2.056 1
1 59 . 19 1 1 A 13 13 TYR C C 13 175.189 175.260 -0.071 1
1 61 . 19 1 1 A 14 14 GLY N N 14 111.782 111.601 0.181 1
1 62 . 19 1 1 A 14 14 GLY H H 14 8.597 9.089 -0.492 1
1 63 . 19 1 1 A 14 14 GLY CA C 14 44.676 44.820 -0.144 1
1 64 . 19 1 1 A 14 14 GLY HA3 H 14 4.797 4.364 0.433 1
1 65 . 19 1 1 A 14 14 GLY C C 14 172.271 172.747 -0.476 1
1 66 . 19 1 1 A 14 14 GLY HA2 H 14 3.615 4.317 -0.702 1
1 67 . 19 1 1 A 15 15 CYS N N 15 123.965 125.052 -1.087 1
1 68 . 19 1 1 A 15 15 CYS H H 15 8.968 8.942 0.026 1
1 69 . 19 1 1 A 15 15 CYS CA C 15 58.757 59.549 -0.792 1
1 70 . 19 1 1 A 15 15 CYS HA H 15 4.630 4.587 0.043 1
1 71 . 19 1 1 A 15 15 CYS CB C 15 30.011 28.548 1.463 1
1 73 . 19 1 1 A 15 15 CYS C C 15 176.914 175.535 1.379 1
1 75 . 19 1 1 A 16 16 ASN N N 16 129.827 125.891 3.936 1
1 76 . 19 1 1 A 16 16 ASN H H 16 9.362 8.828 0.534 1
1 77 . 19 1 1 A 16 16 ASN CA C 16 55.380 53.098 2.282 1
1 78 . 19 1 1 A 16 16 ASN HA H 16 4.544 4.938 -0.394 1
1 79 . 19 1 1 A 16 16 ASN CB C 16 38.240 38.784 -0.544 1
1 84 . 19 1 1 A 16 16 ASN C C 16 175.456 175.692 -0.236 1
1 86 . 19 1 1 A 17 17 GLU N N 17 121.083 118.245 2.838 1
1 87 . 19 1 1 A 17 17 GLU H H 17 8.748 7.898 0.850 1
1 88 . 19 1 1 A 17 17 GLU CA C 17 58.345 56.864 1.481 1
1 89 . 19 1 1 A 17 17 GLU HA H 17 4.217 4.463 -0.246 1
1 90 . 19 1 1 A 17 17 GLU CB C 17 29.773 31.875 -2.102 1
1 94 . 19 1 1 A 17 17 GLU C C 17 176.975 177.708 -0.733 1
1 97 . 19 1 1 A 18 18 CYS N N 18 114.669 114.764 -0.095 1
1 98 . 19 1 1 A 18 18 CYS H H 18 7.878 8.034 -0.156 1
1 99 . 19 1 1 A 18 18 CYS CA C 18 58.313 59.557 -1.244 1
1 100 . 19 1 1 A 18 18 CYS HA H 18 5.146 4.759 0.387 1
1 101 . 19 1 1 A 18 18 CYS CB C 18 32.383 30.325 2.058 1
1 103 . 19 1 1 A 18 18 CYS C C 18 176.098 175.772 0.326 1
1 105 . 19 1 1 A 19 19 GLY N N 19 112.778 110.077 2.701 1
1 106 . 19 1 1 A 19 19 GLY H H 19 8.223 8.138 0.085 1
1 107 . 19 1 1 A 19 19 GLY CA C 19 46.159 45.154 1.005 1
1 108 . 19 1 1 A 19 19 GLY HA3 H 19 4.206 4.068 0.138 1
1 109 . 19 1 1 A 19 19 GLY C C 19 174.359 173.895 0.464 1
1 110 . 19 1 1 A 19 19 GLY HA2 H 19 3.866 4.065 -0.199 1
1 111 . 19 1 1 A 20 20 LYS N N 20 122.671 119.528 3.143 1
1 112 . 19 1 1 A 20 20 LYS H H 20 7.991 7.338 0.653 1
1 113 . 19 1 1 A 20 20 LYS CA C 20 57.994 54.495 3.499 1
1 114 . 19 1 1 A 20 20 LYS HA H 20 4.072 4.415 -0.343 1
1 115 . 19 1 1 A 20 20 LYS CB C 20 34.147 33.620 0.527 1
1 123 . 19 1 1 A 20 20 LYS C C 20 174.631 175.851 -1.220 1
1 128 . 19 1 1 A 21 21 THR N N 21 109.348 113.033 -3.685 1
1 129 . 19 1 1 A 21 21 THR H H 21 7.448 8.414 -0.966 1
1 130 . 19 1 1 A 21 21 THR CA C 21 59.261 59.273 -0.012 1
1 131 . 19 1 1 A 21 21 THR HA H 21 4.996 5.289 -0.293 1
1 132 . 19 1 1 A 21 21 THR CB C 21 71.388 71.654 -0.266 1
1 138 . 19 1 1 A 21 21 THR C C 21 173.342 173.100 0.242 1
1 139 . 19 1 1 A 22 22 PHE N N 22 116.768 118.887 -2.119 1
1 140 . 19 1 1 A 22 22 PHE H H 22 8.559 8.350 0.209 1
1 141 . 19 1 1 A 22 22 PHE CA C 22 57.038 56.582 0.456 1
1 142 . 19 1 1 A 22 22 PHE HA H 22 4.860 4.920 -0.060 1
1 143 . 19 1 1 A 22 22 PHE CB C 22 43.966 42.706 1.260 1
1 155 . 19 1 1 A 22 22 PHE C C 22 175.846 175.818 0.028 1
1 157 . 19 1 1 A 23 23 SER N N 23 115.194 119.520 -4.326 1
1 158 . 19 1 1 A 23 23 SER H H 23 9.413 8.897 0.516 1
1 159 . 19 1 1 A 23 23 SER CA C 23 60.308 61.697 -1.389 1
1 160 . 19 1 1 A 23 23 SER HA H 23 4.613 4.330 0.283 1
1 161 . 19 1 1 A 23 23 SER CB C 23 64.352 63.148 1.204 1
1 163 . 19 1 1 A 23 23 SER C C 23 174.181 174.075 0.106 1
1 165 . 19 1 1 A 24 24 GLN N N 24 115.115 115.508 -0.393 1
1 166 . 19 1 1 A 24 24 GLN H H 24 7.028 7.706 -0.678 1
1 167 . 19 1 1 A 24 24 GLN CA C 24 54.225 54.166 0.059 1
1 168 . 19 1 1 A 24 24 GLN HA H 24 4.827 4.904 -0.077 1
1 169 . 19 1 1 A 24 24 GLN CB C 24 33.411 31.451 1.960 1
1 176 . 19 1 1 A 24 24 GLN C C 24 175.822 175.782 0.040 1
1 179 . 19 1 1 A 25 25 LYS N N 25 126.960 121.171 5.789 1
1 180 . 19 1 1 A 25 25 LYS H H 25 8.655 8.289 0.366 1
1 181 . 19 1 1 A 25 25 LYS CA C 25 59.663 59.114 0.549 1
1 182 . 19 1 1 A 25 25 LYS HA H 25 3.181 3.197 -0.016 1
1 183 . 19 1 1 A 25 25 LYS CB C 25 31.726 31.309 0.417 1
1 191 . 19 1 1 A 25 25 LYS C C 25 178.371 177.601 0.770 1
1 196 . 19 1 1 A 26 26 SER CA C 26 60.933 61.471 -0.538 1
1 197 . 19 1 1 A 26 26 SER HA H 26 4.054 4.019 0.035 1
1 198 . 19 1 1 A 26 26 SER CB C 26 61.498 62.926 -1.428 1
1 200 . 19 1 1 A 26 26 SER C C 26 176.882 176.707 0.175 1
1 202 . 19 1 1 A 27 27 ILE N N 27 123.952 121.717 2.235 1
1 203 . 19 1 1 A 27 27 ILE H H 27 6.655 7.423 -0.768 1
1 204 . 19 1 1 A 27 27 ILE CA C 27 63.774 64.709 -0.935 1
1 205 . 19 1 1 A 27 27 ILE HA H 27 3.765 3.643 0.122 1
1 206 . 19 1 1 A 27 27 ILE CB C 27 38.081 38.065 0.016 1
1 218 . 19 1 1 A 27 27 ILE C C 27 178.456 177.600 0.856 1
1 220 . 19 1 1 A 28 28 LEU N N 28 122.282 121.486 0.796 1
1 221 . 19 1 1 A 28 28 LEU H H 28 7.190 7.281 -0.091 1
1 222 . 19 1 1 A 28 28 LEU CA C 28 58.277 57.602 0.675 1
1 223 . 19 1 1 A 28 28 LEU HA H 28 3.322 2.497 0.825 1
1 224 . 19 1 1 A 28 28 LEU CB C 28 40.085 41.060 -0.975 1
1 236 . 19 1 1 A 28 28 LEU C C 28 178.134 178.074 0.060 1
1 238 . 19 1 1 A 29 29 SER N N 29 114.752 114.679 0.073 1
1 239 . 19 1 1 A 29 29 SER H H 29 8.638 8.365 0.273 1
1 240 . 19 1 1 A 29 29 SER CA C 29 61.900 61.883 0.017 1
1 241 . 19 1 1 A 29 29 SER HA H 29 4.264 3.973 0.291 1
1 242 . 19 1 1 A 29 29 SER CB C 29 62.385 62.341 0.044 1
1 244 . 19 1 1 A 29 29 SER C C 29 176.967 176.702 0.265 1
1 246 . 19 1 1 A 30 30 ALA N N 30 122.806 123.570 -0.764 1
1 247 . 19 1 1 A 30 30 ALA H H 30 7.393 7.486 -0.093 1
1 248 . 19 1 1 A 30 30 ALA CA C 30 55.041 55.275 -0.234 1
1 249 . 19 1 1 A 30 30 ALA HA H 30 4.023 4.003 0.020 1
1 250 . 19 1 1 A 30 30 ALA CB C 30 17.887 18.166 -0.279 1
1 254 . 19 1 1 A 30 30 ALA C C 30 180.298 179.603 0.695 1
1 255 . 19 1 1 A 31 31 HIS N N 31 118.698 117.364 1.334 1
1 256 . 19 1 1 A 31 31 HIS H H 31 7.914 7.707 0.207 1
1 257 . 19 1 1 A 31 31 HIS CA C 31 59.052 59.273 -0.221 1
1 258 . 19 1 1 A 31 31 HIS HA H 31 4.208 4.285 -0.077 1
1 259 . 19 1 1 A 31 31 HIS CB C 31 27.517 29.355 -1.838 1
1 265 . 19 1 1 A 31 31 HIS C C 31 178.351 176.864 1.487 1
1 267 . 19 1 1 A 32 32 GLN N N 32 120.686 117.542 3.144 1
1 268 . 19 1 1 A 32 32 GLN H H 32 8.890 8.573 0.317 1
1 269 . 19 1 1 A 32 32 GLN CA C 32 59.965 59.038 0.927 1
1 270 . 19 1 1 A 32 32 GLN HA H 32 3.709 3.920 -0.211 1
1 271 . 19 1 1 A 32 32 GLN CB C 32 28.290 28.210 0.080 1
1 278 . 19 1 1 A 32 32 GLN C C 32 178.061 178.770 -0.709 1
1 281 . 19 1 1 A 33 33 ARG N N 33 117.052 120.524 -3.472 1
1 282 . 19 1 1 A 33 33 ARG H H 33 7.224 7.490 -0.266 1
1 283 . 19 1 1 A 33 33 ARG CA C 33 58.375 59.309 -0.934 1
1 284 . 19 1 1 A 33 33 ARG HA H 33 4.174 4.017 0.157 1
1 285 . 19 1 1 A 33 33 ARG CB C 33 29.947 30.200 -0.253 1
1 291 . 19 1 1 A 33 33 ARG C C 33 178.118 177.255 0.863 1
1 295 . 19 1 1 A 34 34 THR N N 34 109.534 114.485 -4.951 1
1 296 . 19 1 1 A 34 34 THR H H 34 7.712 8.118 -0.406 1
1 297 . 19 1 1 A 34 34 THR CA C 34 63.776 62.572 1.204 1
1 298 . 19 1 1 A 34 34 THR HA H 34 4.151 4.193 -0.042 1
1 299 . 19 1 1 A 34 34 THR CB C 34 69.225 68.843 0.382 1
1 305 . 19 1 1 A 34 34 THR C C 34 175.617 174.904 0.713 1
1 306 . 19 1 1 A 35 35 HIS N N 35 118.842 120.340 -1.498 1
1 307 . 19 1 1 A 35 35 HIS H H 35 7.161 8.110 -0.949 1
1 308 . 19 1 1 A 35 35 HIS CA C 35 55.580 57.047 -1.467 1
1 309 . 19 1 1 A 35 35 HIS HA H 35 4.870 4.619 0.251 1
1 310 . 19 1 1 A 35 35 HIS CB C 35 28.690 31.795 -3.105 1
1 316 . 19 1 1 A 35 35 HIS C C 35 175.646 174.981 0.665 1
1 318 . 19 1 1 A 36 36 THR N N 36 112.395 111.813 0.582 1
1 319 . 19 1 1 A 36 36 THR H H 36 7.833 7.379 0.454 1
1 320 . 19 1 1 A 36 36 THR CA C 36 62.278 61.519 0.759 1
1 321 . 19 1 1 A 36 36 THR HA H 36 4.358 4.322 0.036 1
1 322 . 19 1 1 A 36 36 THR CB C 36 69.765 70.660 -0.895 1
1 328 . 19 1 1 A 36 36 THR C C 36 175.309 174.782 0.527 1
1 329 . 19 1 1 A 37 37 GLY N N 37 110.931 109.160 1.771 1
1 330 . 19 1 1 A 37 37 GLY H H 37 8.319 8.429 -0.110 1
1 331 . 19 1 1 A 37 37 GLY CA C 37 45.329 45.459 -0.130 1
1 332 . 19 1 1 A 37 37 GLY HA3 H 37 3.949 4.160 -0.211 1
1 333 . 19 1 1 A 37 37 GLY C C 37 174.050 173.984 0.066 1
1 334 . 19 1 1 A 37 37 GLY HA2 H 37 4.011 4.160 -0.149 1
1 335 . 19 1 1 A 38 38 GLU N N 38 120.677 122.019 -1.342 1
1 336 . 19 1 1 A 38 38 GLU H H 38 8.142 8.082 0.060 1
1 337 . 19 1 1 A 38 38 GLU CA C 38 56.428 55.553 0.875 1
1 338 . 19 1 1 A 38 38 GLU HA H 38 4.236 4.719 -0.483 1
1 339 . 19 1 1 A 38 38 GLU CB C 38 30.536 30.879 -0.343 1
1 343 . 19 1 1 A 38 38 GLU C C 38 176.283 175.203 1.080 1
1 346 . 19 1 1 A 39 39 LYS N N 39 123.903 128.009 -4.106 1
1 347 . 19 1 1 A 39 39 LYS H H 39 8.440 8.812 -0.372 1
1 348 . 19 1 1 A 39 39 LYS CA C 39 54.128 52.914 1.214 1
1 349 . 19 1 1 A 39 39 LYS HA H 39 4.602 4.919 -0.317 1
1 350 . 19 1 1 A 39 39 LYS CB C 39 32.498 36.405 -3.907 1
1 357 . 19 1 1 A 39 39 LYS C C 39 174.462 174.922 -0.460 1
1 362 . 19 1 1 A 40 40 PRO CA C 40 63.208 62.438 0.770 1
1 363 . 19 1 1 A 40 40 PRO HA H 40 4.456 4.538 -0.082 1
1 364 . 19 1 1 A 40 40 PRO CB C 40 32.188 32.716 -0.528 1
1 1 . 20 1 1 A 9 9 GLY CA C 9 45.275 45.838 -0.563 1
1 2 . 20 1 1 A 9 9 GLY HA3 H 9 3.928 4.274 -0.346 1
1 3 . 20 1 1 A 9 9 GLY C C 9 174.122 173.952 0.170 1
1 4 . 20 1 1 A 9 9 GLY HA2 H 9 3.928 4.268 -0.340 1
1 5 . 20 1 1 A 10 10 GLU N N 10 120.285 121.213 -0.928 1
1 6 . 20 1 1 A 10 10 GLU H H 10 8.221 8.270 -0.049 1
1 7 . 20 1 1 A 10 10 GLU CA C 10 56.848 56.169 0.679 1
1 8 . 20 1 1 A 10 10 GLU HA H 10 4.171 4.546 -0.375 1
1 9 . 20 1 1 A 10 10 GLU CB C 10 30.334 28.958 1.376 1
1 13 . 20 1 1 A 10 10 GLU C C 10 176.429 175.355 1.074 1
1 16 . 20 1 1 A 11 11 LYS N N 11 121.992 115.490 6.502 1
1 17 . 20 1 1 A 11 11 LYS H H 11 8.280 7.794 0.486 1
1 18 . 20 1 1 A 11 11 LYS CA C 11 53.934 56.871 -2.937 1
1 19 . 20 1 1 A 11 11 LYS HA H 11 4.454 4.489 -0.035 1
1 20 . 20 1 1 A 11 11 LYS CB C 11 32.677 30.110 2.567 1
1 28 . 20 1 1 A 11 11 LYS C C 11 174.147 176.809 -2.662 1
1 33 . 20 1 1 A 12 12 PRO CA C 12 63.503 64.235 -0.732 1
1 34 . 20 1 1 A 12 12 PRO HA H 12 4.262 4.462 -0.200 1
1 35 . 20 1 1 A 12 12 PRO CB C 12 32.320 31.581 0.739 1
1 41 . 20 1 1 A 12 12 PRO C C 12 176.429 175.697 0.732 1
1 45 . 20 1 1 A 13 13 TYR N N 13 118.187 119.582 -1.395 1
1 46 . 20 1 1 A 13 13 TYR H H 13 7.892 7.584 0.308 1
1 47 . 20 1 1 A 13 13 TYR CA C 13 57.274 56.503 0.771 1
1 48 . 20 1 1 A 13 13 TYR HA H 13 4.663 5.079 -0.416 1
1 49 . 20 1 1 A 13 13 TYR CB C 13 38.361 41.190 -2.829 1
1 59 . 20 1 1 A 13 13 TYR C C 13 175.189 175.355 -0.166 1
1 61 . 20 1 1 A 14 14 GLY N N 14 111.782 110.166 1.616 1
1 62 . 20 1 1 A 14 14 GLY H H 14 8.597 9.034 -0.437 1
1 63 . 20 1 1 A 14 14 GLY CA C 14 44.676 44.791 -0.115 1
1 64 . 20 1 1 A 14 14 GLY HA3 H 14 4.797 4.444 0.353 1
1 65 . 20 1 1 A 14 14 GLY C C 14 172.271 172.645 -0.374 1
1 66 . 20 1 1 A 14 14 GLY HA2 H 14 3.615 4.389 -0.774 1
1 67 . 20 1 1 A 15 15 CYS N N 15 123.965 124.493 -0.528 1
1 68 . 20 1 1 A 15 15 CYS H H 15 8.968 9.103 -0.135 1
1 69 . 20 1 1 A 15 15 CYS CA C 15 58.757 58.002 0.755 1
1 70 . 20 1 1 A 15 15 CYS HA H 15 4.630 4.591 0.039 1
1 71 . 20 1 1 A 15 15 CYS CB C 15 30.011 26.505 3.506 1
1 73 . 20 1 1 A 15 15 CYS C C 15 176.914 175.359 1.555 1
1 75 . 20 1 1 A 16 16 ASN N N 16 129.827 124.394 5.433 1
1 76 . 20 1 1 A 16 16 ASN H H 16 9.362 8.330 1.032 1
1 77 . 20 1 1 A 16 16 ASN CA C 16 55.380 56.469 -1.089 1
1 78 . 20 1 1 A 16 16 ASN HA H 16 4.544 4.411 0.133 1
1 79 . 20 1 1 A 16 16 ASN CB C 16 38.240 37.838 0.402 1
1 84 . 20 1 1 A 16 16 ASN C C 16 175.456 177.461 -2.005 1
1 86 . 20 1 1 A 17 17 GLU N N 17 121.083 119.002 2.081 1
1 87 . 20 1 1 A 17 17 GLU H H 17 8.748 8.381 0.367 1
1 88 . 20 1 1 A 17 17 GLU CA C 17 58.345 59.411 -1.066 1
1 89 . 20 1 1 A 17 17 GLU HA H 17 4.217 3.965 0.252 1
1 90 . 20 1 1 A 17 17 GLU CB C 17 29.773 28.882 0.891 1
1 94 . 20 1 1 A 17 17 GLU C C 17 176.975 177.982 -1.007 1
1 97 . 20 1 1 A 18 18 CYS N N 18 114.669 114.206 0.463 1
1 98 . 20 1 1 A 18 18 CYS H H 18 7.878 8.149 -0.271 1
1 99 . 20 1 1 A 18 18 CYS CA C 18 58.313 59.335 -1.022 1
1 100 . 20 1 1 A 18 18 CYS HA H 18 5.146 4.666 0.480 1
1 101 . 20 1 1 A 18 18 CYS CB C 18 32.383 30.228 2.155 1
1 103 . 20 1 1 A 18 18 CYS C C 18 176.098 175.514 0.584 1
1 105 . 20 1 1 A 19 19 GLY N N 19 112.778 110.340 2.438 1
1 106 . 20 1 1 A 19 19 GLY H H 19 8.223 8.669 -0.446 1
1 107 . 20 1 1 A 19 19 GLY CA C 19 46.159 45.322 0.837 1
1 108 . 20 1 1 A 19 19 GLY HA3 H 19 4.206 4.044 0.162 1
1 109 . 20 1 1 A 19 19 GLY C C 19 174.359 174.021 0.338 1
1 110 . 20 1 1 A 19 19 GLY HA2 H 19 3.866 4.040 -0.174 1
1 111 . 20 1 1 A 20 20 LYS N N 20 122.671 119.374 3.297 1
1 112 . 20 1 1 A 20 20 LYS H H 20 7.991 7.314 0.677 1
1 113 . 20 1 1 A 20 20 LYS CA C 20 57.994 54.154 3.840 1
1 114 . 20 1 1 A 20 20 LYS HA H 20 4.072 4.529 -0.457 1
1 115 . 20 1 1 A 20 20 LYS CB C 20 34.147 34.290 -0.143 1
1 123 . 20 1 1 A 20 20 LYS C C 20 174.631 175.675 -1.044 1
1 128 . 20 1 1 A 21 21 THR N N 21 109.348 112.684 -3.336 1
1 129 . 20 1 1 A 21 21 THR H H 21 7.448 8.565 -1.117 1
1 130 . 20 1 1 A 21 21 THR CA C 21 59.261 59.477 -0.216 1
1 131 . 20 1 1 A 21 21 THR HA H 21 4.996 5.426 -0.430 1
1 132 . 20 1 1 A 21 21 THR CB C 21 71.388 71.336 0.052 1
1 138 . 20 1 1 A 21 21 THR C C 21 173.342 173.327 0.015 1
1 139 . 20 1 1 A 22 22 PHE N N 22 116.768 118.822 -2.054 1
1 140 . 20 1 1 A 22 22 PHE H H 22 8.559 8.428 0.131 1
1 141 . 20 1 1 A 22 22 PHE CA C 22 57.038 56.542 0.496 1
1 142 . 20 1 1 A 22 22 PHE HA H 22 4.860 4.939 -0.079 1
1 143 . 20 1 1 A 22 22 PHE CB C 22 43.966 42.247 1.719 1
1 155 . 20 1 1 A 22 22 PHE C C 22 175.846 175.837 0.009 1
1 157 . 20 1 1 A 23 23 SER N N 23 115.194 119.418 -4.224 1
1 158 . 20 1 1 A 23 23 SER H H 23 9.413 8.813 0.600 1
1 159 . 20 1 1 A 23 23 SER CA C 23 60.308 61.523 -1.215 1
1 160 . 20 1 1 A 23 23 SER HA H 23 4.613 4.399 0.214 1
1 161 . 20 1 1 A 23 23 SER CB C 23 64.352 63.104 1.248 1
1 163 . 20 1 1 A 23 23 SER C C 23 174.181 174.125 0.056 1
1 165 . 20 1 1 A 24 24 GLN N N 24 115.115 115.566 -0.451 1
1 166 . 20 1 1 A 24 24 GLN H H 24 7.028 7.662 -0.634 1
1 167 . 20 1 1 A 24 24 GLN CA C 24 54.225 54.106 0.119 1
1 168 . 20 1 1 A 24 24 GLN HA H 24 4.827 4.750 0.077 1
1 169 . 20 1 1 A 24 24 GLN CB C 24 33.411 31.431 1.980 1
1 176 . 20 1 1 A 24 24 GLN C C 24 175.822 176.116 -0.294 1
1 179 . 20 1 1 A 25 25 LYS N N 25 126.960 119.789 7.171 1
1 180 . 20 1 1 A 25 25 LYS H H 25 8.655 8.385 0.270 1
1 181 . 20 1 1 A 25 25 LYS CA C 25 59.663 58.737 0.926 1
1 182 . 20 1 1 A 25 25 LYS HA H 25 3.181 3.395 -0.214 1
1 183 . 20 1 1 A 25 25 LYS CB C 25 31.726 31.633 0.093 1
1 191 . 20 1 1 A 25 25 LYS C C 25 178.371 178.194 0.177 1
1 196 . 20 1 1 A 26 26 SER CA C 26 60.933 61.551 -0.618 1
1 197 . 20 1 1 A 26 26 SER HA H 26 4.054 4.031 0.023 1
1 198 . 20 1 1 A 26 26 SER CB C 26 61.498 63.129 -1.631 1
1 200 . 20 1 1 A 26 26 SER C C 26 176.882 176.794 0.088 1
1 202 . 20 1 1 A 27 27 ILE N N 27 123.952 121.410 2.542 1
1 203 . 20 1 1 A 27 27 ILE H H 27 6.655 7.656 -1.001 1
1 204 . 20 1 1 A 27 27 ILE CA C 27 63.774 64.341 -0.567 1
1 205 . 20 1 1 A 27 27 ILE HA H 27 3.765 3.660 0.105 1
1 206 . 20 1 1 A 27 27 ILE CB C 27 38.081 37.968 0.113 1
1 218 . 20 1 1 A 27 27 ILE C C 27 178.456 177.569 0.887 1
1 220 . 20 1 1 A 28 28 LEU N N 28 122.282 121.873 0.409 1
1 221 . 20 1 1 A 28 28 LEU H H 28 7.190 7.425 -0.235 1
1 222 . 20 1 1 A 28 28 LEU CA C 28 58.277 57.658 0.619 1
1 223 . 20 1 1 A 28 28 LEU HA H 28 3.322 2.887 0.435 1
1 224 . 20 1 1 A 28 28 LEU CB C 28 40.085 41.240 -1.155 1
1 236 . 20 1 1 A 28 28 LEU C C 28 178.134 178.192 -0.058 1
1 238 . 20 1 1 A 29 29 SER N N 29 114.752 114.913 -0.161 1
1 239 . 20 1 1 A 29 29 SER H H 29 8.638 8.359 0.279 1
1 240 . 20 1 1 A 29 29 SER CA C 29 61.900 61.903 -0.003 1
1 241 . 20 1 1 A 29 29 SER HA H 29 4.264 4.004 0.260 1
1 242 . 20 1 1 A 29 29 SER CB C 29 62.385 62.402 -0.017 1
1 244 . 20 1 1 A 29 29 SER C C 29 176.967 176.764 0.203 1
1 246 . 20 1 1 A 30 30 ALA N N 30 122.806 123.474 -0.668 1
1 247 . 20 1 1 A 30 30 ALA H H 30 7.393 7.490 -0.097 1
1 248 . 20 1 1 A 30 30 ALA CA C 30 55.041 55.227 -0.186 1
1 249 . 20 1 1 A 30 30 ALA HA H 30 4.023 3.992 0.031 1
1 250 . 20 1 1 A 30 30 ALA CB C 30 17.887 18.483 -0.596 1
1 254 . 20 1 1 A 30 30 ALA C C 30 180.298 179.514 0.784 1
1 255 . 20 1 1 A 31 31 HIS N N 31 118.698 117.775 0.923 1
1 256 . 20 1 1 A 31 31 HIS H H 31 7.914 7.754 0.160 1
1 257 . 20 1 1 A 31 31 HIS CA C 31 59.052 59.909 -0.857 1
1 258 . 20 1 1 A 31 31 HIS HA H 31 4.208 4.073 0.135 1
1 259 . 20 1 1 A 31 31 HIS CB C 31 27.517 29.753 -2.236 1
1 265 . 20 1 1 A 31 31 HIS C C 31 178.351 177.283 1.068 1
1 267 . 20 1 1 A 32 32 GLN N N 32 120.686 118.892 1.794 1
1 268 . 20 1 1 A 32 32 GLN H H 32 8.890 7.813 1.077 1
1 269 . 20 1 1 A 32 32 GLN CA C 32 59.965 59.062 0.903 1
1 270 . 20 1 1 A 32 32 GLN HA H 32 3.709 4.088 -0.379 1
1 271 . 20 1 1 A 32 32 GLN CB C 32 28.290 28.282 0.008 1
1 278 . 20 1 1 A 32 32 GLN C C 32 178.061 178.689 -0.628 1
1 281 . 20 1 1 A 33 33 ARG N N 33 117.052 120.394 -3.342 1
1 282 . 20 1 1 A 33 33 ARG H H 33 7.224 7.874 -0.650 1
1 283 . 20 1 1 A 33 33 ARG CA C 33 58.375 59.208 -0.833 1
1 284 . 20 1 1 A 33 33 ARG HA H 33 4.174 3.934 0.240 1
1 285 . 20 1 1 A 33 33 ARG CB C 33 29.947 29.936 0.011 1
1 291 . 20 1 1 A 33 33 ARG C C 33 178.118 178.836 -0.718 1
1 295 . 20 1 1 A 34 34 THR N N 34 109.534 114.274 -4.740 1
1 296 . 20 1 1 A 34 34 THR H H 34 7.712 7.924 -0.212 1
1 297 . 20 1 1 A 34 34 THR CA C 34 63.776 64.635 -0.859 1
1 298 . 20 1 1 A 34 34 THR HA H 34 4.151 3.983 0.168 1
1 299 . 20 1 1 A 34 34 THR CB C 34 69.225 68.809 0.416 1
1 305 . 20 1 1 A 34 34 THR C C 34 175.617 175.230 0.387 1
1 306 . 20 1 1 A 35 35 HIS N N 35 118.842 117.789 1.053 1
1 307 . 20 1 1 A 35 35 HIS H H 35 7.161 7.998 -0.837 1
1 308 . 20 1 1 A 35 35 HIS CA C 35 55.580 54.682 0.898 1
1 309 . 20 1 1 A 35 35 HIS HA H 35 4.870 4.552 0.318 1
1 310 . 20 1 1 A 35 35 HIS CB C 35 28.690 27.412 1.278 1
1 316 . 20 1 1 A 35 35 HIS C C 35 175.646 173.714 1.932 1
1 318 . 20 1 1 A 36 36 THR N N 36 112.395 112.223 0.172 1
1 319 . 20 1 1 A 36 36 THR H H 36 7.833 8.131 -0.298 1
1 320 . 20 1 1 A 36 36 THR CA C 36 62.278 59.871 2.407 1
1 321 . 20 1 1 A 36 36 THR HA H 36 4.358 5.062 -0.704 1
1 322 . 20 1 1 A 36 36 THR CB C 36 69.765 71.530 -1.765 1
1 328 . 20 1 1 A 36 36 THR C C 36 175.309 173.851 1.458 1
1 329 . 20 1 1 A 37 37 GLY N N 37 110.931 110.310 0.621 1
1 330 . 20 1 1 A 37 37 GLY H H 37 8.319 8.334 -0.015 1
1 331 . 20 1 1 A 37 37 GLY CA C 37 45.329 46.041 -0.712 1
1 332 . 20 1 1 A 37 37 GLY HA3 H 37 3.949 4.092 -0.143 1
1 333 . 20 1 1 A 37 37 GLY C C 37 174.050 175.227 -1.177 1
1 334 . 20 1 1 A 37 37 GLY HA2 H 37 4.011 4.089 -0.078 1
1 335 . 20 1 1 A 38 38 GLU N N 38 120.677 120.711 -0.034 1
1 336 . 20 1 1 A 38 38 GLU H H 38 8.142 8.288 -0.146 1
1 337 . 20 1 1 A 38 38 GLU CA C 38 56.428 56.597 -0.169 1
1 338 . 20 1 1 A 38 38 GLU HA H 38 4.236 4.468 -0.232 1
1 339 . 20 1 1 A 38 38 GLU CB C 38 30.536 30.314 0.222 1
1 343 . 20 1 1 A 38 38 GLU C C 38 176.283 176.630 -0.347 1
1 346 . 20 1 1 A 39 39 LYS N N 39 123.903 116.989 6.914 1
1 347 . 20 1 1 A 39 39 LYS H H 39 8.440 7.832 0.608 1
1 348 . 20 1 1 A 39 39 LYS CA C 39 54.128 53.747 0.381 1
1 349 . 20 1 1 A 39 39 LYS HA H 39 4.602 4.617 -0.015 1
1 350 . 20 1 1 A 39 39 LYS CB C 39 32.498 32.533 -0.035 1
1 357 . 20 1 1 A 39 39 LYS C C 39 174.462 175.277 -0.815 1
1 362 . 20 1 1 A 40 40 PRO CA C 40 63.208 62.636 0.572 1
1 363 . 20 1 1 A 40 40 PRO HA H 40 4.456 4.759 -0.303 1
1 364 . 20 1 1 A 40 40 PRO CB C 40 32.188 33.581 -1.393 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 31 0.815 1
2 1 1 1 "RMS(OBS, PRED)" CA 32 1.250 1
3 1 1 1 "RMS(OBS, PRED)" CB 28 1.315 1
4 1 1 1 "RMS(OBS, PRED)" H 28 0.621 1
5 1 1 1 "RMS(OBS, PRED)" HA 36 0.330 1
6 1 1 1 "RMS(OBS, PRED)" N 28 2.852 1
7 1 2 1 "RMS(OBS, PRED)" C 31 0.845 1
8 1 2 1 "RMS(OBS, PRED)" CA 32 0.978 1
9 1 2 1 "RMS(OBS, PRED)" CB 28 1.349 1
10 1 2 1 "RMS(OBS, PRED)" H 28 0.553 1
11 1 2 1 "RMS(OBS, PRED)" HA 36 0.279 1
12 1 2 1 "RMS(OBS, PRED)" N 28 2.678 1
13 1 3 1 "RMS(OBS, PRED)" C 31 0.999 1
14 1 3 1 "RMS(OBS, PRED)" CA 32 1.367 1
15 1 3 1 "RMS(OBS, PRED)" CB 28 1.338 1
16 1 3 1 "RMS(OBS, PRED)" H 28 0.541 1
17 1 3 1 "RMS(OBS, PRED)" HA 36 0.346 1
18 1 3 1 "RMS(OBS, PRED)" N 28 2.670 1
19 1 4 1 "RMS(OBS, PRED)" C 31 0.984 1
20 1 4 1 "RMS(OBS, PRED)" CA 32 1.119 1
21 1 4 1 "RMS(OBS, PRED)" CB 28 1.609 1
22 1 4 1 "RMS(OBS, PRED)" H 28 0.523 1
23 1 4 1 "RMS(OBS, PRED)" HA 36 0.320 1
24 1 4 1 "RMS(OBS, PRED)" N 28 2.582 1
25 1 5 1 "RMS(OBS, PRED)" C 31 0.876 1
26 1 5 1 "RMS(OBS, PRED)" CA 32 1.155 1
27 1 5 1 "RMS(OBS, PRED)" CB 28 1.508 1
28 1 5 1 "RMS(OBS, PRED)" H 28 0.579 1
29 1 5 1 "RMS(OBS, PRED)" HA 36 0.291 1
30 1 5 1 "RMS(OBS, PRED)" N 28 2.515 1
31 1 6 1 "RMS(OBS, PRED)" C 31 1.058 1
32 1 6 1 "RMS(OBS, PRED)" CA 32 1.060 1
33 1 6 1 "RMS(OBS, PRED)" CB 28 1.445 1
34 1 6 1 "RMS(OBS, PRED)" H 28 0.565 1
35 1 6 1 "RMS(OBS, PRED)" HA 36 0.292 1
36 1 6 1 "RMS(OBS, PRED)" N 28 3.437 1
37 1 7 1 "RMS(OBS, PRED)" C 31 0.885 1
38 1 7 1 "RMS(OBS, PRED)" CA 32 1.428 1
39 1 7 1 "RMS(OBS, PRED)" CB 28 1.315 1
40 1 7 1 "RMS(OBS, PRED)" H 28 0.541 1
41 1 7 1 "RMS(OBS, PRED)" HA 36 0.313 1
42 1 7 1 "RMS(OBS, PRED)" N 28 2.526 1
43 1 8 1 "RMS(OBS, PRED)" C 31 0.964 1
44 1 8 1 "RMS(OBS, PRED)" CA 32 1.378 1
45 1 8 1 "RMS(OBS, PRED)" CB 28 1.465 1
46 1 8 1 "RMS(OBS, PRED)" H 28 0.459 1
47 1 8 1 "RMS(OBS, PRED)" HA 36 0.296 1
48 1 8 1 "RMS(OBS, PRED)" N 28 2.457 1
49 1 9 1 "RMS(OBS, PRED)" C 31 0.881 1
50 1 9 1 "RMS(OBS, PRED)" CA 32 1.002 1
51 1 9 1 "RMS(OBS, PRED)" CB 28 1.420 1
52 1 9 1 "RMS(OBS, PRED)" H 28 0.503 1
53 1 9 1 "RMS(OBS, PRED)" HA 36 0.322 1
54 1 9 1 "RMS(OBS, PRED)" N 28 2.864 1
55 1 10 1 "RMS(OBS, PRED)" C 31 0.848 1
56 1 10 1 "RMS(OBS, PRED)" CA 32 1.205 1
57 1 10 1 "RMS(OBS, PRED)" CB 28 1.508 1
58 1 10 1 "RMS(OBS, PRED)" H 28 0.571 1
59 1 10 1 "RMS(OBS, PRED)" HA 36 0.285 1
60 1 10 1 "RMS(OBS, PRED)" N 28 3.268 1
61 1 11 1 "RMS(OBS, PRED)" C 31 1.006 1
62 1 11 1 "RMS(OBS, PRED)" CA 32 1.041 1
63 1 11 1 "RMS(OBS, PRED)" CB 28 1.338 1
64 1 11 1 "RMS(OBS, PRED)" H 28 0.560 1
65 1 11 1 "RMS(OBS, PRED)" HA 36 0.312 1
66 1 11 1 "RMS(OBS, PRED)" N 28 2.533 1
67 1 12 1 "RMS(OBS, PRED)" C 31 1.002 1
68 1 12 1 "RMS(OBS, PRED)" CA 32 1.142 1
69 1 12 1 "RMS(OBS, PRED)" CB 28 1.335 1
70 1 12 1 "RMS(OBS, PRED)" H 28 0.526 1
71 1 12 1 "RMS(OBS, PRED)" HA 36 0.322 1
72 1 12 1 "RMS(OBS, PRED)" N 28 2.700 1
73 1 13 1 "RMS(OBS, PRED)" C 31 1.032 1
74 1 13 1 "RMS(OBS, PRED)" CA 32 1.280 1
75 1 13 1 "RMS(OBS, PRED)" CB 28 1.286 1
76 1 13 1 "RMS(OBS, PRED)" H 28 0.541 1
77 1 13 1 "RMS(OBS, PRED)" HA 36 0.315 1
78 1 13 1 "RMS(OBS, PRED)" N 28 2.952 1
79 1 14 1 "RMS(OBS, PRED)" C 31 0.873 1
80 1 14 1 "RMS(OBS, PRED)" CA 32 1.542 1
81 1 14 1 "RMS(OBS, PRED)" CB 28 1.559 1
82 1 14 1 "RMS(OBS, PRED)" H 28 0.548 1
83 1 14 1 "RMS(OBS, PRED)" HA 36 0.353 1
84 1 14 1 "RMS(OBS, PRED)" N 28 2.856 1
85 1 15 1 "RMS(OBS, PRED)" C 31 0.767 1
86 1 15 1 "RMS(OBS, PRED)" CA 32 1.214 1
87 1 15 1 "RMS(OBS, PRED)" CB 28 1.368 1
88 1 15 1 "RMS(OBS, PRED)" H 28 0.520 1
89 1 15 1 "RMS(OBS, PRED)" HA 36 0.345 1
90 1 15 1 "RMS(OBS, PRED)" N 28 2.687 1
91 1 16 1 "RMS(OBS, PRED)" C 31 0.753 1
92 1 16 1 "RMS(OBS, PRED)" CA 32 1.162 1
93 1 16 1 "RMS(OBS, PRED)" CB 28 1.584 1
94 1 16 1 "RMS(OBS, PRED)" H 28 0.463 1
95 1 16 1 "RMS(OBS, PRED)" HA 36 0.271 1
96 1 16 1 "RMS(OBS, PRED)" N 28 3.011 1
97 1 17 1 "RMS(OBS, PRED)" C 31 0.891 1
98 1 17 1 "RMS(OBS, PRED)" CA 32 1.350 1
99 1 17 1 "RMS(OBS, PRED)" CB 28 1.504 1
100 1 17 1 "RMS(OBS, PRED)" H 28 0.506 1
101 1 17 1 "RMS(OBS, PRED)" HA 36 0.318 1
102 1 17 1 "RMS(OBS, PRED)" N 28 2.709 1
103 1 18 1 "RMS(OBS, PRED)" C 31 0.889 1
104 1 18 1 "RMS(OBS, PRED)" CA 32 1.409 1
105 1 18 1 "RMS(OBS, PRED)" CB 28 1.486 1
106 1 18 1 "RMS(OBS, PRED)" H 28 0.516 1
107 1 18 1 "RMS(OBS, PRED)" HA 36 0.336 1
108 1 18 1 "RMS(OBS, PRED)" N 28 2.469 1
109 1 19 1 "RMS(OBS, PRED)" C 31 0.813 1
110 1 19 1 "RMS(OBS, PRED)" CA 32 1.270 1
111 1 19 1 "RMS(OBS, PRED)" CB 28 1.552 1
112 1 19 1 "RMS(OBS, PRED)" H 28 0.494 1
113 1 19 1 "RMS(OBS, PRED)" HA 36 0.301 1
114 1 19 1 "RMS(OBS, PRED)" N 28 2.698 1
115 1 20 1 "RMS(OBS, PRED)" C 31 0.996 1
116 1 20 1 "RMS(OBS, PRED)" CA 32 1.195 1
117 1 20 1 "RMS(OBS, PRED)" CB 28 1.487 1
118 1 20 1 "RMS(OBS, PRED)" H 28 0.563 1
119 1 20 1 "RMS(OBS, PRED)" HA 36 0.315 1
120 1 20 1 "RMS(OBS, PRED)" N 28 3.208 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 9 9 GLY CA C 9 45.275 45.653 -0.378 2
1 2 . 1 1 A 9 9 GLY HA3 H 9 3.928 4.026 -0.098 2
1 3 . 1 1 A 9 9 GLY C C 9 174.122 174.257 -0.135 2
1 4 . 1 1 A 9 9 GLY HA2 H 9 3.928 4.014 -0.086 2
1 5 . 1 1 A 10 10 GLU N N 10 120.285 121.188 -0.903 2
1 6 . 1 1 A 10 10 GLU H H 10 8.221 8.394 -0.173 2
1 7 . 1 1 A 10 10 GLU CA C 10 56.848 56.768 0.080 2
1 8 . 1 1 A 10 10 GLU HA H 10 4.171 4.415 -0.244 2
1 9 . 1 1 A 10 10 GLU CB C 10 30.334 29.907 0.427 2
1 13 . 1 1 A 10 10 GLU C C 10 176.429 176.301 0.128 2
1 16 . 1 1 A 11 11 LYS N N 11 121.992 119.909 2.083 2
1 17 . 1 1 A 11 11 LYS H H 11 8.280 8.413 -0.133 2
1 18 . 1 1 A 11 11 LYS CA C 11 53.934 55.821 -1.887 2
1 19 . 1 1 A 11 11 LYS HA H 11 4.454 4.452 0.002 2
1 20 . 1 1 A 11 11 LYS CB C 11 32.677 31.267 1.410 2
1 28 . 1 1 A 11 11 LYS C C 11 174.147 176.032 -1.885 2
1 33 . 1 1 A 12 12 PRO CA C 12 63.503 64.343 -0.840 2
1 34 . 1 1 A 12 12 PRO HA H 12 4.262 4.473 -0.211 2
1 35 . 1 1 A 12 12 PRO CB C 12 32.320 31.483 0.837 2
1 41 . 1 1 A 12 12 PRO C C 12 176.429 175.746 0.683 2
1 45 . 1 1 A 13 13 TYR N N 13 118.187 119.294 -1.107 2
1 46 . 1 1 A 13 13 TYR H H 13 7.892 7.519 0.373 2
1 47 . 1 1 A 13 13 TYR CA C 13 57.274 56.553 0.721 2
1 48 . 1 1 A 13 13 TYR HA H 13 4.663 5.003 -0.340 2
1 49 . 1 1 A 13 13 TYR CB C 13 38.361 40.769 -2.408 2
1 59 . 1 1 A 13 13 TYR C C 13 175.189 175.637 -0.448 2
1 61 . 1 1 A 14 14 GLY N N 14 111.782 110.216 1.566 2
1 62 . 1 1 A 14 14 GLY H H 14 8.597 8.988 -0.391 2
1 63 . 1 1 A 14 14 GLY CA C 14 44.676 44.886 -0.210 2
1 64 . 1 1 A 14 14 GLY HA3 H 14 4.797 4.419 0.378 2
1 65 . 1 1 A 14 14 GLY C C 14 172.271 172.830 -0.559 2
1 66 . 1 1 A 14 14 GLY HA2 H 14 3.615 4.366 -0.751 2
1 67 . 1 1 A 15 15 CYS N N 15 123.965 123.326 0.639 2
1 68 . 1 1 A 15 15 CYS H H 15 8.968 9.015 -0.047 2
1 69 . 1 1 A 15 15 CYS CA C 15 58.757 59.311 -0.554 2
1 70 . 1 1 A 15 15 CYS HA H 15 4.630 4.562 0.067 2
1 71 . 1 1 A 15 15 CYS CB C 15 30.011 28.194 1.817 2
1 73 . 1 1 A 15 15 CYS C C 15 176.914 175.571 1.343 2
1 75 . 1 1 A 16 16 ASN N N 16 129.827 125.912 3.915 2
1 76 . 1 1 A 16 16 ASN H H 16 9.362 8.790 0.572 2
1 77 . 1 1 A 16 16 ASN CA C 16 55.380 54.164 1.216 2
1 78 . 1 1 A 16 16 ASN HA H 16 4.544 4.731 -0.187 2
1 79 . 1 1 A 16 16 ASN CB C 16 38.240 38.265 -0.025 2
1 84 . 1 1 A 16 16 ASN C C 16 175.456 176.508 -1.052 2
1 86 . 1 1 A 17 17 GLU N N 17 121.083 119.196 1.887 2
1 87 . 1 1 A 17 17 GLU H H 17 8.748 8.042 0.706 2
1 88 . 1 1 A 17 17 GLU CA C 17 58.345 57.975 0.370 2
1 89 . 1 1 A 17 17 GLU HA H 17 4.217 4.241 -0.024 2
1 90 . 1 1 A 17 17 GLU CB C 17 29.773 30.592 -0.819 2
1 94 . 1 1 A 17 17 GLU C C 17 176.975 177.870 -0.895 2
1 97 . 1 1 A 18 18 CYS N N 18 114.669 114.680 -0.011 2
1 98 . 1 1 A 18 18 CYS H H 18 7.878 7.896 -0.018 2
1 99 . 1 1 A 18 18 CYS CA C 18 58.313 59.519 -1.206 2
1 100 . 1 1 A 18 18 CYS HA H 18 5.146 4.653 0.493 2
1 101 . 1 1 A 18 18 CYS CB C 18 32.383 29.965 2.418 2
1 103 . 1 1 A 18 18 CYS C C 18 176.098 175.434 0.664 2
1 105 . 1 1 A 19 19 GLY N N 19 112.778 109.991 2.787 2
1 106 . 1 1 A 19 19 GLY H H 19 8.223 8.049 0.174 2
1 107 . 1 1 A 19 19 GLY CA C 19 46.159 45.225 0.934 2
1 108 . 1 1 A 19 19 GLY HA3 H 19 4.206 4.057 0.149 2
1 109 . 1 1 A 19 19 GLY C C 19 174.359 174.270 0.089 2
1 110 . 1 1 A 19 19 GLY HA2 H 19 3.866 4.053 -0.187 2
1 111 . 1 1 A 20 20 LYS N N 20 122.671 119.904 2.767 2
1 112 . 1 1 A 20 20 LYS H H 20 7.991 7.538 0.453 2
1 113 . 1 1 A 20 20 LYS CA C 20 57.994 55.490 2.504 2
1 114 . 1 1 A 20 20 LYS HA H 20 4.072 4.425 -0.353 2
1 115 . 1 1 A 20 20 LYS CB C 20 34.147 33.872 0.275 2
1 123 . 1 1 A 20 20 LYS C C 20 174.631 175.788 -1.157 2
1 128 . 1 1 A 21 21 THR N N 21 109.348 112.948 -3.600 2
1 129 . 1 1 A 21 21 THR H H 21 7.448 8.442 -0.994 2
1 130 . 1 1 A 21 21 THR CA C 21 59.261 59.450 -0.189 2
1 131 . 1 1 A 21 21 THR HA H 21 4.996 5.378 -0.382 2
1 132 . 1 1 A 21 21 THR CB C 21 71.388 71.831 -0.443 2
1 138 . 1 1 A 21 21 THR C C 21 173.342 173.291 0.051 2
1 139 . 1 1 A 22 22 PHE N N 22 116.768 118.567 -1.799 2
1 140 . 1 1 A 22 22 PHE H H 22 8.559 8.484 0.075 2
1 141 . 1 1 A 22 22 PHE CA C 22 57.038 56.720 0.318 2
1 142 . 1 1 A 22 22 PHE HA H 22 4.860 4.906 -0.046 2
1 143 . 1 1 A 22 22 PHE CB C 22 43.966 42.857 1.109 2
1 155 . 1 1 A 22 22 PHE C C 22 175.846 175.835 0.011 2
1 157 . 1 1 A 23 23 SER N N 23 115.194 118.189 -2.995 2
1 158 . 1 1 A 23 23 SER H H 23 9.413 8.859 0.554 2
1 159 . 1 1 A 23 23 SER CA C 23 60.308 61.602 -1.294 2
1 160 . 1 1 A 23 23 SER HA H 23 4.613 4.466 0.147 2
1 161 . 1 1 A 23 23 SER CB C 23 64.352 63.190 1.162 2
1 163 . 1 1 A 23 23 SER C C 23 174.181 174.409 -0.228 2
1 165 . 1 1 A 24 24 GLN N N 24 115.115 116.272 -1.157 2
1 166 . 1 1 A 24 24 GLN H H 24 7.028 7.620 -0.592 2
1 167 . 1 1 A 24 24 GLN CA C 24 54.225 53.956 0.269 2
1 168 . 1 1 A 24 24 GLN HA H 24 4.827 4.607 0.220 2
1 169 . 1 1 A 24 24 GLN CB C 24 33.411 31.162 2.249 2
1 176 . 1 1 A 24 24 GLN C C 24 175.822 175.694 0.128 2
1 179 . 1 1 A 25 25 LYS N N 25 126.960 120.705 6.255 2
1 180 . 1 1 A 25 25 LYS H H 25 8.655 8.214 0.441 2
1 181 . 1 1 A 25 25 LYS CA C 25 59.663 59.056 0.607 2
1 182 . 1 1 A 25 25 LYS HA H 25 3.181 3.413 -0.232 2
1 183 . 1 1 A 25 25 LYS CB C 25 31.726 31.697 0.029 2
1 191 . 1 1 A 25 25 LYS C C 25 178.371 177.934 0.437 2
1 196 . 1 1 A 26 26 SER CA C 26 60.933 61.579 -0.646 2
1 197 . 1 1 A 26 26 SER HA H 26 4.054 4.061 -0.007 2
1 198 . 1 1 A 26 26 SER CB C 26 61.498 62.980 -1.482 2
1 200 . 1 1 A 26 26 SER C C 26 176.882 176.746 0.136 2
1 202 . 1 1 A 27 27 ILE N N 27 123.952 121.413 2.539 2
1 203 . 1 1 A 27 27 ILE H H 27 6.655 7.441 -0.786 2
1 204 . 1 1 A 27 27 ILE CA C 27 63.774 64.237 -0.463 2
1 205 . 1 1 A 27 27 ILE HA H 27 3.765 3.701 0.064 2
1 206 . 1 1 A 27 27 ILE CB C 27 38.081 37.880 0.201 2
1 218 . 1 1 A 27 27 ILE C C 27 178.456 177.499 0.957 2
1 220 . 1 1 A 28 28 LEU N N 28 122.282 121.476 0.806 2
1 221 . 1 1 A 28 28 LEU H H 28 7.190 7.366 -0.176 2
1 222 . 1 1 A 28 28 LEU CA C 28 58.277 57.654 0.623 2
1 223 . 1 1 A 28 28 LEU HA H 28 3.322 2.753 0.569 2
1 224 . 1 1 A 28 28 LEU CB C 28 40.085 41.210 -1.125 2
1 236 . 1 1 A 28 28 LEU C C 28 178.134 178.216 -0.082 2
1 238 . 1 1 A 29 29 SER N N 29 114.752 114.234 0.518 2
1 239 . 1 1 A 29 29 SER H H 29 8.638 8.380 0.258 2
1 240 . 1 1 A 29 29 SER CA C 29 61.900 61.676 0.224 2
1 241 . 1 1 A 29 29 SER HA H 29 4.264 4.005 0.259 2
1 242 . 1 1 A 29 29 SER CB C 29 62.385 62.819 -0.434 2
1 244 . 1 1 A 29 29 SER C C 29 176.967 176.995 -0.028 2
1 246 . 1 1 A 30 30 ALA N N 30 122.806 122.869 -0.063 2
1 247 . 1 1 A 30 30 ALA H H 30 7.393 7.837 -0.444 2
1 248 . 1 1 A 30 30 ALA CA C 30 55.041 55.182 -0.141 2
1 249 . 1 1 A 30 30 ALA HA H 30 4.023 4.007 0.016 2
1 250 . 1 1 A 30 30 ALA CB C 30 17.887 18.341 -0.454 2
1 254 . 1 1 A 30 30 ALA C C 30 180.298 179.644 0.654 2
1 255 . 1 1 A 31 31 HIS N N 31 118.698 117.742 0.956 2
1 256 . 1 1 A 31 31 HIS H H 31 7.914 7.698 0.216 2
1 257 . 1 1 A 31 31 HIS CA C 31 59.052 59.472 -0.420 2
1 258 . 1 1 A 31 31 HIS HA H 31 4.208 4.142 0.066 2
1 259 . 1 1 A 31 31 HIS CB C 31 27.517 29.738 -2.221 2
1 265 . 1 1 A 31 31 HIS C C 31 178.351 177.101 1.250 2
1 267 . 1 1 A 32 32 GLN N N 32 120.686 118.622 2.064 2
1 268 . 1 1 A 32 32 GLN H H 32 8.890 7.910 0.980 2
1 269 . 1 1 A 32 32 GLN CA C 32 59.965 58.579 1.386 2
1 270 . 1 1 A 32 32 GLN HA H 32 3.709 4.146 -0.438 2
1 271 . 1 1 A 32 32 GLN CB C 32 28.290 28.399 -0.110 2
1 278 . 1 1 A 32 32 GLN C C 32 178.061 178.662 -0.601 2
1 281 . 1 1 A 33 33 ARG N N 33 117.052 120.389 -3.337 2
1 282 . 1 1 A 33 33 ARG H H 33 7.224 7.782 -0.558 2
1 283 . 1 1 A 33 33 ARG CA C 33 58.375 59.217 -0.842 2
1 284 . 1 1 A 33 33 ARG HA H 33 4.174 4.045 0.129 2
1 285 . 1 1 A 33 33 ARG CB C 33 29.947 30.025 -0.078 2
1 291 . 1 1 A 33 33 ARG C C 33 178.118 178.075 0.043 2
1 295 . 1 1 A 34 34 THR N N 34 109.534 114.321 -4.787 2
1 296 . 1 1 A 34 34 THR H H 34 7.712 7.719 -0.007 2
1 297 . 1 1 A 34 34 THR CA C 34 63.776 63.610 0.166 2
1 298 . 1 1 A 34 34 THR HA H 34 4.151 4.122 0.029 2
1 299 . 1 1 A 34 34 THR CB C 34 69.225 68.678 0.547 2
1 305 . 1 1 A 34 34 THR C C 34 175.617 175.500 0.117 2
1 306 . 1 1 A 35 35 HIS N N 35 118.842 119.430 -0.588 2
1 307 . 1 1 A 35 35 HIS H H 35 7.161 7.817 -0.656 2
1 308 . 1 1 A 35 35 HIS CA C 35 55.580 56.851 -1.271 2
1 309 . 1 1 A 35 35 HIS HA H 35 4.870 4.576 0.294 2
1 310 . 1 1 A 35 35 HIS CB C 35 28.690 29.897 -1.207 2
1 316 . 1 1 A 35 35 HIS C C 35 175.646 175.191 0.455 2
1 318 . 1 1 A 36 36 THR N N 36 112.395 111.828 0.567 2
1 319 . 1 1 A 36 36 THR H H 36 7.833 7.818 0.015 2
1 320 . 1 1 A 36 36 THR CA C 36 62.278 61.695 0.583 2
1 321 . 1 1 A 36 36 THR HA H 36 4.358 4.458 -0.100 2
1 322 . 1 1 A 36 36 THR CB C 36 69.765 69.994 -0.229 2
1 328 . 1 1 A 36 36 THR C C 36 175.309 174.537 0.772 2
1 329 . 1 1 A 37 37 GLY N N 37 110.931 112.182 -1.251 2
1 330 . 1 1 A 37 37 GLY H H 37 8.319 8.334 -0.015 2
1 331 . 1 1 A 37 37 GLY CA C 37 45.329 45.827 -0.498 2
1 332 . 1 1 A 37 37 GLY HA3 H 37 3.949 4.009 -0.060 2
1 333 . 1 1 A 37 37 GLY C C 37 174.050 173.863 0.187 2
1 334 . 1 1 A 37 37 GLY HA2 H 37 4.011 4.004 0.007 2
1 335 . 1 1 A 38 38 GLU N N 38 120.677 121.174 -0.497 2
1 336 . 1 1 A 38 38 GLU H H 38 8.142 8.263 -0.121 2
1 337 . 1 1 A 38 38 GLU CA C 38 56.428 55.870 0.558 2
1 338 . 1 1 A 38 38 GLU HA H 38 4.236 4.575 -0.339 2
1 339 . 1 1 A 38 38 GLU CB C 38 30.536 30.585 -0.049 2
1 343 . 1 1 A 38 38 GLU C C 38 176.283 175.479 0.804 2
1 346 . 1 1 A 39 39 LYS N N 39 123.903 123.273 0.630 2
1 347 . 1 1 A 39 39 LYS H H 39 8.440 8.225 0.215 2
1 348 . 1 1 A 39 39 LYS CA C 39 54.128 53.940 0.188 2
1 349 . 1 1 A 39 39 LYS HA H 39 4.602 4.656 -0.054 2
1 350 . 1 1 A 39 39 LYS CB C 39 32.498 34.002 -1.504 2
1 357 . 1 1 A 39 39 LYS C C 39 174.462 175.126 -0.664 2
1 362 . 1 1 A 40 40 PRO CA C 40 63.208 63.263 -0.055 2
1 363 . 1 1 A 40 40 PRO HA H 40 4.456 4.586 -0.130 2
1 364 . 1 1 A 40 40 PRO CB C 40 32.188 31.790 0.398 2
stop_
save_