data_10270_sparta
save_entry_information
_Entry.Sf_category entry_information
_Entry.Sf_framecode entry_information
_Entry.ID 10270
_Entry.PDB_ID 2EE2
_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 6 . 1 1 1 A 4 4 GLY H H 4 8.507 8.792 -0.285 1
1 7 . 1 1 1 A 4 4 GLY HA2 H 4 4.513 4.288 0.225 1
1 8 . 1 1 1 A 4 4 GLY HA3 H 4 3.859 4.289 -0.430 1
1 9 . 1 1 1 A 4 4 GLY CA C 4 44.199 44.964 -0.765 1
1 10 . 1 1 1 A 4 4 GLY N N 4 116.148 110.739 5.409 1
1 11 . 1 1 1 A 6 6 SER HA H 6 4.472 4.028 0.444 1
1 13 . 1 1 1 A 6 6 SER C C 6 174.998 173.827 1.171 1
1 14 . 1 1 1 A 6 6 SER CA C 6 58.657 59.277 -0.620 1
1 15 . 1 1 1 A 6 6 SER CB C 6 64.025 62.058 1.967 1
1 16 . 1 1 1 A 7 7 GLY H H 7 8.399 8.526 -0.127 1
1 17 . 1 1 1 A 7 7 GLY HA2 H 7 3.963 3.923 0.040 1
1 18 . 1 1 1 A 7 7 GLY HA3 H 7 3.963 3.924 0.039 1
1 19 . 1 1 1 A 7 7 GLY C C 7 173.942 174.772 -0.830 1
1 20 . 1 1 1 A 7 7 GLY CA C 7 45.332 46.841 -1.509 1
1 21 . 1 1 1 A 7 7 GLY N N 7 110.856 106.098 4.758 1
1 22 . 1 1 1 A 8 8 VAL H H 8 7.919 7.828 0.091 1
1 23 . 1 1 1 A 8 8 VAL HA H 8 4.101 4.041 0.060 1
1 31 . 1 1 1 A 8 8 VAL C C 8 175.827 175.694 0.133 1
1 32 . 1 1 1 A 8 8 VAL CA C 8 61.987 62.592 -0.605 1
1 33 . 1 1 1 A 8 8 VAL CB C 8 32.786 32.048 0.738 1
1 36 . 1 1 1 A 8 8 VAL N N 8 119.305 117.741 1.564 1
1 37 . 1 1 1 A 9 9 ALA H H 9 8.367 8.466 -0.099 1
1 38 . 1 1 1 A 9 9 ALA HA H 9 4.329 4.794 -0.465 1
1 42 . 1 1 1 A 9 9 ALA C C 9 177.422 175.941 1.481 1
1 43 . 1 1 1 A 9 9 ALA CA C 9 52.399 50.561 1.838 1
1 44 . 1 1 1 A 9 9 ALA CB C 9 19.317 19.543 -0.226 1
1 45 . 1 1 1 A 9 9 ALA N N 9 128.175 128.938 -0.763 1
1 46 . 1 1 1 A 10 10 VAL H H 10 8.154 8.803 -0.649 1
1 47 . 1 1 1 A 10 10 VAL HA H 10 4.046 4.910 -0.864 1
1 55 . 1 1 1 A 10 10 VAL C C 10 176.076 174.250 1.826 1
1 56 . 1 1 1 A 10 10 VAL CA C 10 62.288 59.496 2.792 1
1 57 . 1 1 1 A 10 10 VAL CB C 10 32.786 34.647 -1.861 1
1 60 . 1 1 1 A 10 10 VAL N N 10 120.641 117.718 2.923 1
1 61 . 1 1 1 A 11 11 ILE H H 11 8.261 8.925 -0.664 1
1 62 . 1 1 1 A 11 11 ILE HA H 11 4.148 4.742 -0.594 1
1 72 . 1 1 1 A 11 11 ILE C C 11 175.857 175.130 0.727 1
1 73 . 1 1 1 A 11 11 ILE CA C 11 60.842 60.084 0.758 1
1 74 . 1 1 1 A 11 11 ILE CB C 11 38.776 38.785 -0.009 1
1 78 . 1 1 1 A 11 11 ILE N N 11 125.253 126.006 -0.753 1
1 79 . 1 1 1 A 12 12 ASN H H 12 8.575 9.048 -0.473 1
1 80 . 1 1 1 A 12 12 ASN HA H 12 4.737 5.439 -0.702 1
1 85 . 1 1 1 A 12 12 ASN C C 12 175.004 174.540 0.464 1
1 86 . 1 1 1 A 12 12 ASN CA C 12 53.087 51.694 1.393 1
1 87 . 1 1 1 A 12 12 ASN CB C 12 39.076 41.878 -2.802 1
1 88 . 1 1 1 A 12 12 ASN N N 12 123.538 126.512 -2.974 1
1 90 . 1 1 1 A 13 13 SER H H 13 8.317 8.663 -0.346 1
1 91 . 1 1 1 A 13 13 SER HA H 13 4.373 5.266 -0.893 1
1 94 . 1 1 1 A 13 13 SER C C 13 174.118 173.049 1.069 1
1 95 . 1 1 1 A 13 13 SER CA C 13 58.375 57.551 0.824 1
1 96 . 1 1 1 A 13 13 SER CB C 13 63.866 65.472 -1.606 1
1 97 . 1 1 1 A 13 13 SER N N 13 116.982 117.595 -0.613 1
1 98 . 1 1 1 A 14 14 ALA H H 14 8.317 8.386 -0.069 1
1 99 . 1 1 1 A 14 14 ALA HA H 14 4.285 4.774 -0.489 1
1 103 . 1 1 1 A 14 14 ALA C C 14 177.298 177.336 -0.038 1
1 104 . 1 1 1 A 14 14 ALA CA C 14 52.628 51.047 1.581 1
1 105 . 1 1 1 A 14 14 ALA CB C 14 19.192 22.877 -3.685 1
1 106 . 1 1 1 A 14 14 ALA N N 14 125.606 126.957 -1.351 1
1 107 . 1 1 1 A 15 15 GLN H H 15 8.221 8.789 -0.568 1
1 108 . 1 1 1 A 15 15 GLN HA H 15 4.237 4.268 -0.031 1
1 115 . 1 1 1 A 15 15 GLN C C 15 174.741 175.734 -0.993 1
1 116 . 1 1 1 A 15 15 GLN CA C 15 55.925 57.361 -1.436 1
1 117 . 1 1 1 A 15 15 GLN CB C 15 29.990 29.479 0.511 1
1 119 . 1 1 1 A 15 15 GLN N N 15 119.248 118.617 0.631 1
1 121 . 1 1 1 A 16 16 ASP H H 16 7.898 7.803 0.095 1
1 122 . 1 1 1 A 16 16 ASP HA H 16 4.714 5.008 -0.294 1
1 125 . 1 1 1 A 16 16 ASP C C 16 175.219 174.002 1.217 1
1 126 . 1 1 1 A 16 16 ASP CA C 16 53.387 53.058 0.329 1
1 127 . 1 1 1 A 16 16 ASP CB C 16 42.771 43.601 -0.830 1
1 128 . 1 1 1 A 16 16 ASP N N 16 119.674 116.883 2.791 1
1 129 . 1 1 1 A 17 17 ALA H H 17 8.256 8.362 -0.106 1
1 130 . 1 1 1 A 17 17 ALA HA H 17 4.549 4.769 -0.220 1
1 134 . 1 1 1 A 17 17 ALA C C 17 174.226 174.037 0.189 1
1 135 . 1 1 1 A 17 17 ALA CA C 17 50.514 49.977 0.537 1
1 136 . 1 1 1 A 17 17 ALA CB C 17 16.689 22.406 -5.717 1
1 137 . 1 1 1 A 17 17 ALA N N 17 123.830 120.864 2.966 1
1 138 . 1 1 1 A 18 18 PRO HA H 18 4.247 4.785 -0.538 1
1 145 . 1 1 1 A 18 18 PRO CA C 18 63.135 62.826 0.309 1
1 146 . 1 1 1 A 18 18 PRO CB C 18 31.866 31.985 -0.119 1
1 149 . 1 1 1 A 19 19 SER HA H 19 4.524 4.632 -0.108 1
1 152 . 1 1 1 A 19 19 SER C C 19 173.934 173.985 -0.051 1
1 153 . 1 1 1 A 19 19 SER CA C 19 58.657 58.173 0.484 1
1 154 . 1 1 1 A 19 19 SER CB C 19 65.246 64.619 0.627 1
1 155 . 1 1 1 A 20 20 GLU H H 20 7.589 7.665 -0.076 1
1 156 . 1 1 1 A 20 20 GLU HA H 20 4.604 4.895 -0.291 1
1 161 . 1 1 1 A 20 20 GLU C C 20 175.082 174.807 0.275 1
1 162 . 1 1 1 A 20 20 GLU CA C 20 54.762 55.437 -0.675 1
1 163 . 1 1 1 A 20 20 GLU CB C 20 33.405 32.119 1.286 1
1 165 . 1 1 1 A 20 20 GLU N N 20 121.739 122.087 -0.348 1
1 166 . 1 1 1 A 21 21 ALA H H 21 8.564 8.774 -0.210 1
1 167 . 1 1 1 A 21 21 ALA HA H 21 4.995 4.950 0.045 1
1 171 . 1 1 1 A 21 21 ALA C C 21 175.731 175.493 0.238 1
1 172 . 1 1 1 A 21 21 ALA CA C 21 49.341 49.666 -0.325 1
1 173 . 1 1 1 A 21 21 ALA CB C 21 19.388 20.700 -1.312 1
1 174 . 1 1 1 A 21 21 ALA N N 21 125.054 127.929 -2.875 1
1 175 . 1 1 1 A 22 22 PRO HA H 22 4.529 4.894 -0.365 1
1 182 . 1 1 1 A 22 22 PRO C C 22 174.830 176.839 -2.009 1
1 183 . 1 1 1 A 22 22 PRO CA C 22 63.076 62.834 0.242 1
1 184 . 1 1 1 A 22 22 PRO CB C 22 32.294 31.810 0.484 1
1 187 . 1 1 1 A 23 23 THR H H 23 7.442 8.475 -1.033 1
1 188 . 1 1 1 A 23 23 THR HA H 23 4.663 4.558 0.105 1
1 193 . 1 1 1 A 23 23 THR C C 23 172.878 174.756 -1.878 1
1 194 . 1 1 1 A 23 23 THR CA C 23 59.961 61.708 -1.747 1
1 195 . 1 1 1 A 23 23 THR CB C 23 72.337 69.903 2.434 1
1 197 . 1 1 1 A 23 23 THR N N 23 109.039 118.616 -9.577 1
1 198 . 1 1 1 A 24 24 GLU H H 24 8.782 8.954 -0.172 1
1 199 . 1 1 1 A 24 24 GLU HA H 24 3.911 3.831 0.080 1
1 204 . 1 1 1 A 24 24 GLU C C 24 175.816 174.831 0.985 1
1 205 . 1 1 1 A 24 24 GLU CA C 24 56.172 57.200 -1.028 1
1 206 . 1 1 1 A 24 24 GLU CB C 24 27.761 27.861 -0.100 1
1 208 . 1 1 1 A 24 24 GLU N N 24 115.227 119.087 -3.860 1
1 209 . 1 1 1 A 25 25 VAL H H 25 8.030 7.962 0.068 1
1 210 . 1 1 1 A 25 25 VAL HA H 25 4.891 4.662 0.229 1
1 218 . 1 1 1 A 25 25 VAL C C 25 177.065 175.170 1.895 1
1 219 . 1 1 1 A 25 25 VAL CA C 25 62.446 61.742 0.704 1
1 220 . 1 1 1 A 25 25 VAL CB C 25 31.471 33.188 -1.717 1
1 223 . 1 1 1 A 25 25 VAL N N 25 119.529 118.198 1.331 1
1 224 . 1 1 1 A 26 26 GLY H H 26 8.796 8.447 0.349 1
1 225 . 1 1 1 A 26 26 GLY HA2 H 26 4.420 4.441 -0.021 1
1 226 . 1 1 1 A 26 26 GLY HA3 H 26 3.646 4.460 -0.814 1
1 227 . 1 1 1 A 26 26 GLY C C 26 170.874 172.766 -1.892 1
1 228 . 1 1 1 A 26 26 GLY CA C 26 44.468 44.487 -0.019 1
1 229 . 1 1 1 A 26 26 GLY N N 26 114.560 114.906 -0.346 1
1 230 . 1 1 1 A 27 27 VAL H H 27 8.332 9.068 -0.736 1
1 231 . 1 1 1 A 27 27 VAL HA H 27 5.508 5.307 0.201 1
1 239 . 1 1 1 A 27 27 VAL C C 27 175.652 173.978 1.674 1
1 240 . 1 1 1 A 27 27 VAL CA C 27 58.279 59.621 -1.342 1
1 241 . 1 1 1 A 27 27 VAL CB C 27 36.230 34.348 1.882 1
1 244 . 1 1 1 A 27 27 VAL N N 27 110.792 118.476 -7.684 1
1 245 . 1 1 1 A 28 28 LYS H H 28 9.143 9.304 -0.161 1
1 246 . 1 1 1 A 28 28 LYS HA H 28 4.550 5.066 -0.516 1
1 254 . 1 1 1 A 28 28 LYS C C 28 175.150 175.371 -0.221 1
1 255 . 1 1 1 A 28 28 LYS CA C 28 55.396 54.657 0.739 1
1 256 . 1 1 1 A 28 28 LYS CB C 28 35.134 35.494 -0.360 1
1 260 . 1 1 1 A 28 28 LYS N N 28 123.314 124.222 -0.908 1
1 261 . 1 1 1 A 29 29 VAL H H 29 9.190 8.984 0.206 1
1 262 . 1 1 1 A 29 29 VAL HA H 29 3.939 4.023 -0.084 1
1 270 . 1 1 1 A 29 29 VAL C C 29 176.162 175.313 0.849 1
1 271 . 1 1 1 A 29 29 VAL CA C 29 64.332 63.258 1.074 1
1 272 . 1 1 1 A 29 29 VAL CB C 29 31.417 30.853 0.564 1
1 275 . 1 1 1 A 29 29 VAL N N 29 127.176 127.446 -0.270 1
1 276 . 1 1 1 A 30 30 LEU H H 30 8.108 8.394 -0.286 1
1 277 . 1 1 1 A 30 30 LEU HA H 30 4.375 4.193 0.182 1
1 287 . 1 1 1 A 30 30 LEU C C 30 177.477 176.780 0.697 1
1 288 . 1 1 1 A 30 30 LEU CA C 30 55.886 56.846 -0.960 1
1 289 . 1 1 1 A 30 30 LEU CB C 30 42.498 42.620 -0.122 1
1 293 . 1 1 1 A 30 30 LEU N N 30 128.053 130.129 -2.076 1
1 294 . 1 1 1 A 31 31 SER H H 31 8.152 7.947 0.205 1
1 295 . 1 1 1 A 31 31 SER HA H 31 4.748 4.754 -0.006 1
1 298 . 1 1 1 A 31 31 SER C C 31 173.427 174.812 -1.385 1
1 299 . 1 1 1 A 31 31 SER CA C 31 57.811 56.009 1.802 1
1 300 . 1 1 1 A 31 31 SER CB C 31 64.517 65.837 -1.320 1
1 301 . 1 1 1 A 31 31 SER N N 31 112.798 111.228 1.570 1
1 302 . 1 1 1 A 32 32 SER H H 32 8.450 8.793 -0.343 1
1 303 . 1 1 1 A 32 32 SER HA H 32 4.604 4.225 0.379 1
1 306 . 1 1 1 A 32 32 SER C C 32 172.423 175.702 -3.279 1
1 307 . 1 1 1 A 32 32 SER CA C 32 59.414 61.583 -2.169 1
1 308 . 1 1 1 A 32 32 SER CB C 32 63.903 62.480 1.423 1
1 309 . 1 1 1 A 32 32 SER N N 32 112.687 118.857 -6.170 1
1 310 . 1 1 1 A 33 33 SER H H 33 8.355 7.873 0.482 1
1 311 . 1 1 1 A 33 33 SER HA H 33 4.759 4.633 0.126 1
1 314 . 1 1 1 A 33 33 SER C C 33 173.940 172.474 1.466 1
1 315 . 1 1 1 A 33 33 SER CA C 33 57.229 57.846 -0.617 1
1 316 . 1 1 1 A 33 33 SER CB C 33 66.786 64.132 2.654 1
1 317 . 1 1 1 A 33 33 SER N N 33 109.767 114.627 -4.860 1
1 318 . 1 1 1 A 34 34 GLU H H 34 6.978 7.631 -0.653 1
1 319 . 1 1 1 A 34 34 GLU HA H 34 5.487 5.049 0.438 1
1 324 . 1 1 1 A 34 34 GLU C C 34 175.294 174.939 0.355 1
1 325 . 1 1 1 A 34 34 GLU CA C 34 55.130 54.845 0.285 1
1 326 . 1 1 1 A 34 34 GLU CB C 34 35.711 33.091 2.620 1
1 328 . 1 1 1 A 34 34 GLU N N 34 119.009 118.231 0.778 1
1 329 . 1 1 1 A 35 35 ILE H H 35 8.190 8.390 -0.200 1
1 330 . 1 1 1 A 35 35 ILE HA H 35 4.477 4.804 -0.327 1
1 340 . 1 1 1 A 35 35 ILE C C 35 173.681 173.711 -0.030 1
1 341 . 1 1 1 A 35 35 ILE CA C 35 60.203 60.072 0.131 1
1 342 . 1 1 1 A 35 35 ILE CB C 35 43.791 41.983 1.808 1
1 346 . 1 1 1 A 35 35 ILE N N 35 120.691 123.294 -2.603 1
1 347 . 1 1 1 A 36 36 SER H H 36 9.269 9.378 -0.109 1
1 348 . 1 1 1 A 36 36 SER HA H 36 5.300 5.253 0.047 1
1 351 . 1 1 1 A 36 36 SER C C 36 172.945 173.479 -0.534 1
1 352 . 1 1 1 A 36 36 SER CA C 36 56.549 56.555 -0.006 1
1 353 . 1 1 1 A 36 36 SER CB C 36 64.591 64.920 -0.329 1
1 354 . 1 1 1 A 36 36 SER N N 36 120.471 122.413 -1.942 1
1 355 . 1 1 1 A 37 37 VAL H H 37 9.000 9.077 -0.077 1
1 356 . 1 1 1 A 37 37 VAL HA H 37 4.902 4.676 0.226 1
1 364 . 1 1 1 A 37 37 VAL C C 37 173.530 175.141 -1.611 1
1 365 . 1 1 1 A 37 37 VAL CA C 37 60.261 61.666 -1.405 1
1 366 . 1 1 1 A 37 37 VAL CB C 37 35.001 33.510 1.491 1
1 369 . 1 1 1 A 37 37 VAL N N 37 127.009 126.766 0.243 1
1 370 . 1 1 1 A 38 38 HIS H H 38 8.779 9.019 -0.240 1
1 371 . 1 1 1 A 38 38 HIS HA H 38 5.238 5.024 0.214 1
1 376 . 1 1 1 A 38 38 HIS C C 38 173.545 174.784 -1.239 1
1 377 . 1 1 1 A 38 38 HIS CA C 38 54.991 55.411 -0.420 1
1 378 . 1 1 1 A 38 38 HIS CB C 38 32.564 32.328 0.236 1
1 381 . 1 1 1 A 38 38 HIS N N 38 123.115 125.062 -1.947 1
1 382 . 1 1 1 A 39 39 TRP H H 39 7.682 8.115 -0.433 1
1 383 . 1 1 1 A 39 39 TRP HA H 39 5.044 5.109 -0.065 1
1 392 . 1 1 1 A 39 39 TRP C C 39 173.585 172.824 0.761 1
1 393 . 1 1 1 A 39 39 TRP CA C 39 57.170 55.752 1.418 1
1 394 . 1 1 1 A 39 39 TRP CB C 39 31.554 31.067 0.487 1
1 400 . 1 1 1 A 39 39 TRP N N 39 116.447 118.404 -1.957 1
1 402 . 1 1 1 A 40 40 GLU H H 40 8.522 8.403 0.119 1
1 403 . 1 1 1 A 40 40 GLU HA H 40 4.619 4.698 -0.079 1
1 408 . 1 1 1 A 40 40 GLU C C 40 177.186 176.801 0.385 1
1 409 . 1 1 1 A 40 40 GLU CA C 40 54.356 55.464 -1.108 1
1 410 . 1 1 1 A 40 40 GLU CB C 40 30.344 31.332 -0.988 1
1 412 . 1 1 1 A 40 40 GLU N N 40 117.208 120.953 -3.745 1
1 413 . 1 1 1 A 41 41 HIS H H 41 8.477 8.564 -0.087 1
1 414 . 1 1 1 A 41 41 HIS HA H 41 4.748 4.686 0.062 1
1 419 . 1 1 1 A 41 41 HIS C C 41 177.474 175.958 1.516 1
1 420 . 1 1 1 A 41 41 HIS CA C 41 54.779 57.572 -2.793 1
1 421 . 1 1 1 A 41 41 HIS CB C 41 31.140 30.433 0.707 1
1 424 . 1 1 1 A 41 41 HIS N N 41 119.083 125.322 -6.239 1
1 425 . 1 1 1 A 42 42 VAL H H 42 7.680 8.436 -0.756 1
1 426 . 1 1 1 A 42 42 VAL HA H 42 4.428 4.294 0.134 1
1 434 . 1 1 1 A 42 42 VAL C C 42 175.401 177.167 -1.766 1
1 435 . 1 1 1 A 42 42 VAL CA C 42 60.878 62.163 -1.285 1
1 436 . 1 1 1 A 42 42 VAL CB C 42 32.216 33.318 -1.102 1
1 439 . 1 1 1 A 42 42 VAL N N 42 114.975 123.408 -8.433 1
1 440 . 1 1 1 A 43 43 LEU H H 43 9.107 8.830 0.277 1
1 441 . 1 1 1 A 43 43 LEU HA H 43 4.303 4.220 0.083 1
1 451 . 1 1 1 A 43 43 LEU C C 43 178.603 177.198 1.405 1
1 452 . 1 1 1 A 43 43 LEU CA C 43 55.872 57.043 -1.171 1
1 453 . 1 1 1 A 43 43 LEU CB C 43 41.684 41.853 -0.169 1
1 457 . 1 1 1 A 43 43 LEU N N 43 123.877 120.932 2.945 1
1 458 . 1 1 1 A 44 44 GLU H H 44 7.988 7.692 0.296 1
1 459 . 1 1 1 A 44 44 GLU HA H 44 4.152 4.547 -0.395 1
1 464 . 1 1 1 A 44 44 GLU C C 44 177.236 176.413 0.823 1
1 465 . 1 1 1 A 44 44 GLU CA C 44 57.282 55.636 1.646 1
1 466 . 1 1 1 A 44 44 GLU CB C 44 31.033 29.517 1.516 1
1 468 . 1 1 1 A 44 44 GLU N N 44 119.655 120.534 -0.879 1
1 469 . 1 1 1 A 45 45 LYS H H 45 8.596 8.856 -0.260 1
1 470 . 1 1 1 A 45 45 LYS HA H 45 4.295 4.323 -0.028 1
1 479 . 1 1 1 A 45 45 LYS C C 45 177.258 177.910 -0.652 1
1 480 . 1 1 1 A 45 45 LYS CA C 45 57.170 57.534 -0.364 1
1 481 . 1 1 1 A 45 45 LYS CB C 45 32.204 32.395 -0.191 1
1 485 . 1 1 1 A 45 45 LYS N N 45 120.518 126.716 -6.198 1
1 486 . 1 1 1 A 46 46 ILE H H 46 7.212 7.632 -0.420 1
1 487 . 1 1 1 A 46 46 ILE HA H 46 4.371 4.109 0.262 1
1 497 . 1 1 1 A 46 46 ILE C C 46 175.191 176.293 -1.102 1
1 498 . 1 1 1 A 46 46 ILE CA C 46 60.666 63.470 -2.804 1
1 499 . 1 1 1 A 46 46 ILE CB C 46 37.531 37.785 -0.254 1
1 503 . 1 1 1 A 46 46 ILE N N 46 111.434 113.897 -2.463 1
1 504 . 1 1 1 A 47 47 VAL H H 47 7.378 6.809 0.569 1
1 505 . 1 1 1 A 47 47 VAL HA H 47 3.658 3.872 -0.214 1
1 513 . 1 1 1 A 47 47 VAL C C 47 175.157 175.807 -0.650 1
1 514 . 1 1 1 A 47 47 VAL CA C 47 63.521 62.236 1.285 1
1 515 . 1 1 1 A 47 47 VAL CB C 47 33.570 32.290 1.280 1
1 518 . 1 1 1 A 47 47 VAL N N 47 122.780 122.353 0.427 1
1 519 . 1 1 1 A 48 48 GLU H H 48 8.733 8.772 -0.039 1
1 520 . 1 1 1 A 48 48 GLU HA H 48 4.615 4.206 0.409 1
1 525 . 1 1 1 A 48 48 GLU C C 48 176.241 176.539 -0.298 1
1 526 . 1 1 1 A 48 48 GLU CA C 48 56.701 58.680 -1.979 1
1 527 . 1 1 1 A 48 48 GLU CB C 48 32.966 30.708 2.258 1
1 529 . 1 1 1 A 48 48 GLU N N 48 124.835 125.014 -0.179 1
1 530 . 1 1 1 A 49 49 SER H H 49 8.130 7.227 0.903 1
1 531 . 1 1 1 A 49 49 SER HA H 49 4.726 4.751 -0.025 1
1 534 . 1 1 1 A 49 49 SER C C 49 171.371 171.783 -0.412 1
1 535 . 1 1 1 A 49 49 SER CA C 49 57.440 57.568 -0.128 1
1 536 . 1 1 1 A 49 49 SER CB C 49 66.073 67.074 -1.001 1
1 537 . 1 1 1 A 49 49 SER N N 49 114.231 112.211 2.020 1
1 538 . 1 1 1 A 50 50 TYR H H 50 8.681 8.481 0.200 1
1 539 . 1 1 1 A 50 50 TYR HA H 50 5.057 5.015 0.042 1
1 546 . 1 1 1 A 50 50 TYR C C 50 174.034 175.129 -1.095 1
1 547 . 1 1 1 A 50 50 TYR CA C 50 57.434 56.340 1.094 1
1 548 . 1 1 1 A 50 50 TYR CB C 50 41.437 40.717 0.720 1
1 553 . 1 1 1 A 50 50 TYR N N 50 115.301 119.400 -4.099 1
1 554 . 1 1 1 A 51 51 GLN H H 51 9.200 9.046 0.154 1
1 555 . 1 1 1 A 51 51 GLN HA H 51 5.144 4.664 0.480 1
1 562 . 1 1 1 A 51 51 GLN C C 51 173.878 174.757 -0.879 1
1 563 . 1 1 1 A 51 51 GLN CA C 51 53.669 55.733 -2.064 1
1 564 . 1 1 1 A 51 51 GLN CB C 51 32.783 29.470 3.313 1
1 566 . 1 1 1 A 51 51 GLN N N 51 119.842 123.217 -3.375 1
1 568 . 1 1 1 A 52 52 ILE H H 52 9.441 9.323 0.118 1
1 569 . 1 1 1 A 52 52 ILE HA H 52 4.803 4.919 -0.116 1
1 579 . 1 1 1 A 52 52 ILE C C 52 174.953 175.500 -0.547 1
1 580 . 1 1 1 A 52 52 ILE CA C 52 61.054 60.438 0.616 1
1 581 . 1 1 1 A 52 52 ILE CB C 52 39.108 37.826 1.282 1
1 585 . 1 1 1 A 52 52 ILE N N 52 128.547 126.880 1.667 1
1 586 . 1 1 1 A 53 53 ARG H H 53 9.169 8.732 0.437 1
1 587 . 1 1 1 A 53 53 ARG HA H 53 5.628 5.057 0.571 1
1 594 . 1 1 1 A 53 53 ARG C C 53 174.869 176.007 -1.138 1
1 595 . 1 1 1 A 53 53 ARG CA C 53 54.479 56.115 -1.636 1
1 596 . 1 1 1 A 53 53 ARG CB C 53 33.942 31.794 2.148 1
1 599 . 1 1 1 A 53 53 ARG N N 53 127.779 127.234 0.545 1
1 600 . 1 1 1 A 54 54 TYR H H 54 8.671 8.731 -0.060 1
1 601 . 1 1 1 A 54 54 TYR HA H 54 6.310 5.900 0.410 1
1 608 . 1 1 1 A 54 54 TYR C C 54 173.965 173.974 -0.009 1
1 609 . 1 1 1 A 54 54 TYR CA C 54 55.291 56.601 -1.310 1
1 610 . 1 1 1 A 54 54 TYR CB C 54 41.930 41.706 0.224 1
1 615 . 1 1 1 A 54 54 TYR N N 54 117.929 118.695 -0.766 1
1 616 . 1 1 1 A 55 55 TRP H H 55 8.928 8.354 0.574 1
1 617 . 1 1 1 A 55 55 TRP HA H 55 5.054 5.324 -0.270 1
1 626 . 1 1 1 A 55 55 TRP C C 55 172.613 173.685 -1.072 1
1 627 . 1 1 1 A 55 55 TRP CA C 55 56.577 55.767 0.810 1
1 628 . 1 1 1 A 55 55 TRP CB C 55 32.118 31.322 0.796 1
1 634 . 1 1 1 A 55 55 TRP N N 55 121.459 119.238 2.221 1
1 636 . 1 1 1 A 56 56 ALA H H 56 8.870 7.934 0.936 1
1 637 . 1 1 1 A 56 56 ALA HA H 56 4.053 3.781 0.272 1
1 641 . 1 1 1 A 56 56 ALA C C 56 179.868 178.100 1.768 1
1 642 . 1 1 1 A 56 56 ALA CA C 56 50.478 51.396 -0.918 1
1 643 . 1 1 1 A 56 56 ALA CB C 56 19.108 18.972 0.136 1
1 644 . 1 1 1 A 56 56 ALA N N 56 124.214 123.113 1.101 1
1 645 . 1 1 1 A 57 57 ALA H H 57 8.147 8.167 -0.020 1
1 646 . 1 1 1 A 57 57 ALA HA H 57 3.913 4.048 -0.135 1
1 650 . 1 1 1 A 57 57 ALA C C 57 178.479 180.074 -1.595 1
1 651 . 1 1 1 A 57 57 ALA CA C 57 54.832 55.563 -0.731 1
1 652 . 1 1 1 A 57 57 ALA CB C 57 19.317 18.072 1.245 1
1 653 . 1 1 1 A 57 57 ALA N N 57 120.999 122.973 -1.974 1
1 654 . 1 1 1 A 58 58 HIS H H 58 7.274 7.589 -0.315 1
1 655 . 1 1 1 A 58 58 HIS HA H 58 4.605 4.393 0.212 1
1 660 . 1 1 1 A 58 58 HIS C C 58 175.349 175.525 -0.176 1
1 661 . 1 1 1 A 58 58 HIS CA C 58 56.066 58.910 -2.844 1
1 662 . 1 1 1 A 58 58 HIS CB C 58 29.780 28.882 0.898 1
1 665 . 1 1 1 A 58 58 HIS N N 58 109.961 114.432 -4.471 1
1 666 . 1 1 1 A 59 59 ASP H H 59 7.945 7.438 0.507 1
1 667 . 1 1 1 A 59 59 ASP HA H 59 4.869 4.647 0.222 1
1 670 . 1 1 1 A 59 59 ASP C C 59 175.895 175.926 -0.031 1
1 671 . 1 1 1 A 59 59 ASP CA C 59 53.898 55.143 -1.245 1
1 672 . 1 1 1 A 59 59 ASP CB C 59 42.385 41.559 0.826 1
1 673 . 1 1 1 A 59 59 ASP N N 59 123.825 120.977 2.848 1
1 674 . 1 1 1 A 60 60 LYS H H 60 8.147 8.665 -0.518 1
1 675 . 1 1 1 A 60 60 LYS HA H 60 4.197 4.576 -0.379 1
1 682 . 1 1 1 A 60 60 LYS C C 60 177.212 177.108 0.104 1
1 683 . 1 1 1 A 60 60 LYS CA C 60 56.121 54.520 1.601 1
1 684 . 1 1 1 A 60 60 LYS CB C 60 32.951 34.518 -1.567 1
1 688 . 1 1 1 A 60 60 LYS N N 60 117.803 121.112 -3.309 1
1 689 . 1 1 1 A 61 61 GLU H H 61 8.381 8.690 -0.309 1
1 690 . 1 1 1 A 61 61 GLU HA H 61 2.603 2.917 -0.314 1
1 695 . 1 1 1 A 61 61 GLU C C 61 178.058 178.085 -0.027 1
1 696 . 1 1 1 A 61 61 GLU CA C 61 58.622 58.353 0.269 1
1 697 . 1 1 1 A 61 61 GLU CB C 61 28.709 28.595 0.114 1
1 699 . 1 1 1 A 61 61 GLU N N 61 122.310 121.218 1.092 1
1 700 . 1 1 1 A 62 62 GLU H H 62 8.470 8.662 -0.192 1
1 701 . 1 1 1 A 62 62 GLU HA H 62 3.919 3.984 -0.065 1
1 706 . 1 1 1 A 62 62 GLU C C 62 176.293 177.369 -1.076 1
1 707 . 1 1 1 A 62 62 GLU CA C 62 57.899 58.748 -0.849 1
1 708 . 1 1 1 A 62 62 GLU CB C 62 28.796 28.524 0.272 1
1 710 . 1 1 1 A 62 62 GLU N N 62 117.600 118.465 -0.865 1
1 711 . 1 1 1 A 63 63 ALA H H 63 7.760 7.304 0.456 1
1 712 . 1 1 1 A 63 63 ALA HA H 63 4.443 4.364 0.079 1
1 716 . 1 1 1 A 63 63 ALA C C 63 176.867 177.035 -0.168 1
1 717 . 1 1 1 A 63 63 ALA CA C 63 51.095 51.510 -0.415 1
1 718 . 1 1 1 A 63 63 ALA CB C 63 18.845 19.039 -0.194 1
1 719 . 1 1 1 A 63 63 ALA N N 63 123.067 120.490 2.577 1
1 720 . 1 1 1 A 64 64 ALA H H 64 7.389 7.143 0.246 1
1 721 . 1 1 1 A 64 64 ALA HA H 64 4.175 4.341 -0.166 1
1 725 . 1 1 1 A 64 64 ALA C C 64 177.784 177.377 0.407 1
1 726 . 1 1 1 A 64 64 ALA CA C 64 53.099 51.784 1.315 1
1 727 . 1 1 1 A 64 64 ALA CB C 64 19.784 19.199 0.585 1
1 728 . 1 1 1 A 64 64 ALA N N 64 121.409 121.406 0.003 1
1 729 . 1 1 1 A 65 65 ASN H H 65 8.152 7.934 0.218 1
1 730 . 1 1 1 A 65 65 ASN HA H 65 4.714 4.582 0.132 1
1 735 . 1 1 1 A 65 65 ASN C C 65 173.533 174.414 -0.881 1
1 736 . 1 1 1 A 65 65 ASN CA C 65 52.523 53.833 -1.310 1
1 737 . 1 1 1 A 65 65 ASN CB C 65 40.739 38.803 1.936 1
1 738 . 1 1 1 A 65 65 ASN N N 65 119.620 120.140 -0.520 1
1 740 . 1 1 1 A 66 66 ARG H H 66 8.366 8.565 -0.199 1
1 741 . 1 1 1 A 66 66 ARG HA H 66 5.760 5.342 0.418 1
1 748 . 1 1 1 A 66 66 ARG C C 66 175.946 175.026 0.920 1
1 749 . 1 1 1 A 66 66 ARG CA C 66 54.902 54.432 0.470 1
1 750 . 1 1 1 A 66 66 ARG CB C 66 34.116 33.740 0.376 1
1 753 . 1 1 1 A 66 66 ARG N N 66 116.911 119.042 -2.131 1
1 754 . 1 1 1 A 67 67 VAL H H 67 9.057 8.865 0.192 1
1 755 . 1 1 1 A 67 67 VAL HA H 67 4.520 4.666 -0.146 1
1 763 . 1 1 1 A 67 67 VAL C C 67 173.731 174.122 -0.391 1
1 764 . 1 1 1 A 67 67 VAL CA C 67 60.845 61.619 -0.774 1
1 765 . 1 1 1 A 67 67 VAL CB C 67 35.917 33.678 2.239 1
1 768 . 1 1 1 A 67 67 VAL N N 67 122.047 123.581 -1.534 1
1 769 . 1 1 1 A 68 68 GLN H H 68 8.741 9.160 -0.419 1
1 770 . 1 1 1 A 68 68 GLN HA H 68 5.543 4.992 0.551 1
1 777 . 1 1 1 A 68 68 GLN C C 68 175.452 175.192 0.260 1
1 778 . 1 1 1 A 68 68 GLN CA C 68 54.462 54.796 -0.334 1
1 779 . 1 1 1 A 68 68 GLN CB C 68 32.087 30.108 1.979 1
1 781 . 1 1 1 A 68 68 GLN N N 68 124.250 128.776 -4.526 1
1 783 . 1 1 1 A 69 69 VAL H H 69 8.912 8.511 0.401 1
1 784 . 1 1 1 A 69 69 VAL HA H 69 5.012 4.893 0.119 1
1 792 . 1 1 1 A 69 69 VAL C C 69 175.870 175.084 0.786 1
1 793 . 1 1 1 A 69 69 VAL CA C 69 59.045 59.661 -0.616 1
1 794 . 1 1 1 A 69 69 VAL CB C 69 35.106 34.781 0.325 1
1 797 . 1 1 1 A 69 69 VAL N N 69 117.045 122.328 -5.283 1
1 798 . 1 1 1 A 70 70 THR H H 70 8.491 8.386 0.105 1
1 799 . 1 1 1 A 70 70 THR HA H 70 4.585 4.412 0.173 1
1 804 . 1 1 1 A 70 70 THR C C 70 175.015 175.846 -0.831 1
1 805 . 1 1 1 A 70 70 THR CA C 70 62.917 62.576 0.341 1
1 806 . 1 1 1 A 70 70 THR CB C 70 70.767 69.748 1.019 1
1 808 . 1 1 1 A 70 70 THR N N 70 111.495 114.788 -3.293 1
1 809 . 1 1 1 A 71 71 SER H H 71 7.522 8.917 -1.395 1
1 810 . 1 1 1 A 71 71 SER HA H 71 4.148 4.530 -0.382 1
1 813 . 1 1 1 A 71 71 SER C C 71 174.340 176.199 -1.859 1
1 814 . 1 1 1 A 71 71 SER CA C 71 59.749 60.876 -1.127 1
1 815 . 1 1 1 A 71 71 SER CB C 71 63.060 62.645 0.415 1
1 816 . 1 1 1 A 71 71 SER N N 71 111.553 119.302 -7.749 1
1 817 . 1 1 1 A 72 72 GLN H H 72 7.718 8.005 -0.287 1
1 818 . 1 1 1 A 72 72 GLN HA H 72 4.428 4.286 0.142 1
1 823 . 1 1 1 A 72 72 GLN C C 72 176.456 176.954 -0.498 1
1 824 . 1 1 1 A 72 72 GLN CA C 72 56.630 58.124 -1.494 1
1 825 . 1 1 1 A 72 72 GLN CB C 72 29.373 28.917 0.456 1
1 827 . 1 1 1 A 72 72 GLN N N 72 117.502 118.607 -1.105 1
1 829 . 1 1 1 A 73 73 GLU H H 73 7.650 7.722 -0.072 1
1 830 . 1 1 1 A 73 73 GLU HA H 73 4.408 4.543 -0.135 1
1 835 . 1 1 1 A 73 73 GLU C C 73 176.484 176.192 0.292 1
1 836 . 1 1 1 A 73 73 GLU CA C 73 56.472 56.089 0.383 1
1 837 . 1 1 1 A 73 73 GLU CB C 73 31.962 29.934 2.028 1
1 839 . 1 1 1 A 73 73 GLU N N 73 119.175 119.423 -0.248 1
1 840 . 1 1 1 A 74 74 TYR H H 74 8.615 8.812 -0.197 1
1 841 . 1 1 1 A 74 74 TYR HA H 74 3.427 3.904 -0.477 1
1 848 . 1 1 1 A 74 74 TYR C C 74 171.853 175.106 -3.253 1
1 849 . 1 1 1 A 74 74 TYR CA C 74 56.565 60.074 -3.509 1
1 850 . 1 1 1 A 74 74 TYR CB C 74 39.410 37.630 1.780 1
1 855 . 1 1 1 A 74 74 TYR N N 74 118.997 124.792 -5.795 1
1 856 . 1 1 1 A 75 75 SER H H 75 6.801 7.690 -0.889 1
1 857 . 1 1 1 A 75 75 SER HA H 75 5.001 4.228 0.773 1
1 860 . 1 1 1 A 75 75 SER C C 75 172.976 172.074 0.902 1
1 861 . 1 1 1 A 75 75 SER CA C 75 56.154 56.466 -0.312 1
1 862 . 1 1 1 A 75 75 SER CB C 75 66.541 66.062 0.479 1
1 863 . 1 1 1 A 75 75 SER N N 75 109.803 110.987 -1.184 1
1 864 . 1 1 1 A 76 76 ALA H H 76 8.897 9.066 -0.169 1
1 865 . 1 1 1 A 76 76 ALA HA H 76 4.604 5.166 -0.562 1
1 869 . 1 1 1 A 76 76 ALA C C 76 174.777 175.020 -0.243 1
1 870 . 1 1 1 A 76 76 ALA CA C 76 51.359 50.627 0.732 1
1 871 . 1 1 1 A 76 76 ALA CB C 76 23.140 24.368 -1.228 1
1 872 . 1 1 1 A 76 76 ALA N N 76 120.416 123.074 -2.658 1
1 873 . 1 1 1 A 77 77 ARG H H 77 8.529 8.613 -0.084 1
1 874 . 1 1 1 A 77 77 ARG HA H 77 4.681 5.121 -0.440 1
1 881 . 1 1 1 A 77 77 ARG C C 77 174.533 173.928 0.605 1
1 882 . 1 1 1 A 77 77 ARG CA C 77 54.973 54.503 0.470 1
1 883 . 1 1 1 A 77 77 ARG CB C 77 31.839 33.963 -2.124 1
1 886 . 1 1 1 A 77 77 ARG N N 77 121.172 119.802 1.370 1
1 887 . 1 1 1 A 78 78 LEU H H 78 9.089 9.288 -0.199 1
1 888 . 1 1 1 A 78 78 LEU HA H 78 4.396 5.048 -0.652 1
1 898 . 1 1 1 A 78 78 LEU C C 78 175.107 175.494 -0.387 1
1 899 . 1 1 1 A 78 78 LEU CA C 78 53.333 53.030 0.303 1
1 900 . 1 1 1 A 78 78 LEU CB C 78 41.272 45.134 -3.862 1
1 904 . 1 1 1 A 78 78 LEU N N 78 126.698 127.202 -0.504 1
1 905 . 1 1 1 A 79 79 GLU H H 79 8.239 8.699 -0.460 1
1 906 . 1 1 1 A 79 79 GLU HA H 79 5.034 5.005 0.029 1
1 911 . 1 1 1 A 79 79 GLU C C 79 174.792 175.560 -0.768 1
1 912 . 1 1 1 A 79 79 GLU CA C 79 54.056 54.509 -0.453 1
1 913 . 1 1 1 A 79 79 GLU CB C 79 33.692 33.072 0.620 1
1 915 . 1 1 1 A 79 79 GLU N N 79 119.147 121.958 -2.811 1
1 916 . 1 1 1 A 80 80 ASN H H 80 9.068 8.700 0.368 1
1 917 . 1 1 1 A 80 80 ASN HA H 80 4.303 4.308 -0.005 1
1 922 . 1 1 1 A 80 80 ASN C C 80 174.823 174.339 0.484 1
1 923 . 1 1 1 A 80 80 ASN CA C 80 54.462 54.227 0.235 1
1 924 . 1 1 1 A 80 80 ASN CB C 80 37.359 37.141 0.218 1
1 925 . 1 1 1 A 80 80 ASN N N 80 113.324 116.431 -3.107 1
1 927 . 1 1 1 A 81 81 LEU H H 81 8.671 7.549 1.122 1
1 928 . 1 1 1 A 81 81 LEU HA H 81 4.252 4.707 -0.455 1
1 938 . 1 1 1 A 81 81 LEU C C 81 175.804 175.750 0.054 1
1 939 . 1 1 1 A 81 81 LEU CA C 81 53.841 53.080 0.761 1
1 940 . 1 1 1 A 81 81 LEU CB C 81 40.891 43.410 -2.519 1
1 944 . 1 1 1 A 81 81 LEU N N 81 117.886 118.537 -0.651 1
1 945 . 1 1 1 A 82 82 LEU H H 82 8.448 8.741 -0.293 1
1 946 . 1 1 1 A 82 82 LEU HA H 82 4.600 4.846 -0.246 1
1 956 . 1 1 1 A 82 82 LEU C C 82 175.149 174.906 0.243 1
1 957 . 1 1 1 A 82 82 LEU CA C 82 52.629 51.702 0.927 1
1 958 . 1 1 1 A 82 82 LEU CB C 82 42.449 43.242 -0.793 1
1 962 . 1 1 1 A 82 82 LEU N N 82 121.118 122.405 -1.287 1
1 963 . 1 1 1 A 83 83 PRO HA H 83 5.237 4.397 0.840 1
1 970 . 1 1 1 A 83 83 PRO C C 83 178.145 177.354 0.791 1
1 971 . 1 1 1 A 83 83 PRO CA C 83 62.472 63.385 -0.913 1
1 972 . 1 1 1 A 83 83 PRO CB C 83 33.232 32.184 1.048 1
1 975 . 1 1 1 A 84 84 ASP H H 84 7.943 9.234 -1.291 1
1 976 . 1 1 1 A 84 84 ASP HA H 84 4.208 4.470 -0.262 1
1 979 . 1 1 1 A 84 84 ASP C C 84 174.476 174.742 -0.266 1
1 980 . 1 1 1 A 84 84 ASP CA C 84 54.250 55.019 -0.769 1
1 981 . 1 1 1 A 84 84 ASP CB C 84 41.568 39.452 2.116 1
1 982 . 1 1 1 A 84 84 ASP N N 84 126.496 121.686 4.810 1
1 983 . 1 1 1 A 85 85 THR H H 85 8.261 7.873 0.388 1
1 984 . 1 1 1 A 85 85 THR HA H 85 4.381 4.631 -0.250 1
1 989 . 1 1 1 A 85 85 THR C C 85 170.639 172.823 -2.184 1
1 990 . 1 1 1 A 85 85 THR CA C 85 62.951 60.870 2.081 1
1 991 . 1 1 1 A 85 85 THR CB C 85 72.217 72.147 0.070 1
1 993 . 1 1 1 A 85 85 THR N N 85 114.015 112.350 1.665 1
1 994 . 1 1 1 A 86 86 GLN H H 86 8.221 8.447 -0.226 1
1 995 . 1 1 1 A 86 86 GLN HA H 86 3.664 3.955 -0.291 1
1 1002 . 1 1 1 A 86 86 GLN C C 86 172.890 173.987 -1.097 1
1 1003 . 1 1 1 A 86 86 GLN CA C 86 54.585 55.329 -0.744 1
1 1004 . 1 1 1 A 86 86 GLN CB C 86 28.836 29.049 -0.213 1
1 1006 . 1 1 1 A 86 86 GLN N N 86 127.039 126.266 0.773 1
1 1008 . 1 1 1 A 87 87 TYR H H 87 8.976 8.562 0.414 1
1 1009 . 1 1 1 A 87 87 TYR HA H 87 4.583 4.967 -0.384 1
1 1016 . 1 1 1 A 87 87 TYR C C 87 173.534 174.822 -1.288 1
1 1017 . 1 1 1 A 87 87 TYR CA C 87 57.599 56.255 1.344 1
1 1018 . 1 1 1 A 87 87 TYR CB C 87 42.344 40.648 1.696 1
1 1023 . 1 1 1 A 87 87 TYR N N 87 126.060 125.632 0.428 1
1 1024 . 1 1 1 A 88 88 PHE H H 88 8.388 8.388 0.000 1
1 1025 . 1 1 1 A 88 88 PHE HA H 88 4.902 4.675 0.227 1
1 1033 . 1 1 1 A 88 88 PHE C C 88 175.238 174.834 0.404 1
1 1034 . 1 1 1 A 88 88 PHE CA C 88 55.872 57.339 -1.467 1
1 1035 . 1 1 1 A 88 88 PHE CB C 88 40.284 38.319 1.965 1
1 1041 . 1 1 1 A 88 88 PHE N N 88 118.991 122.554 -3.563 1
1 1042 . 1 1 1 A 89 89 ILE H H 89 8.450 8.779 -0.329 1
1 1043 . 1 1 1 A 89 89 ILE HA H 89 4.913 5.393 -0.480 1
1 1053 . 1 1 1 A 89 89 ILE C C 89 174.770 175.259 -0.489 1
1 1054 . 1 1 1 A 89 89 ILE CA C 89 60.472 59.898 0.574 1
1 1055 . 1 1 1 A 89 89 ILE CB C 89 43.167 40.948 2.219 1
1 1059 . 1 1 1 A 89 89 ILE N N 89 118.943 124.066 -5.123 1
1 1060 . 1 1 1 A 90 90 GLU H H 90 9.071 8.508 0.563 1
1 1061 . 1 1 1 A 90 90 GLU HA H 90 4.558 4.842 -0.284 1
1 1066 . 1 1 1 A 90 90 GLU C C 90 173.981 174.299 -0.318 1
1 1067 . 1 1 1 A 90 90 GLU CA C 90 54.831 55.955 -1.124 1
1 1068 . 1 1 1 A 90 90 GLU CB C 90 35.052 33.749 1.303 1
1 1070 . 1 1 1 A 90 90 GLU N N 90 124.044 124.951 -0.907 1
1 1071 . 1 1 1 A 91 91 VAL H H 91 8.564 8.488 0.076 1
1 1072 . 1 1 1 A 91 91 VAL HA H 91 4.968 4.773 0.195 1
1 1080 . 1 1 1 A 91 91 VAL C C 91 174.488 175.284 -0.796 1
1 1081 . 1 1 1 A 91 91 VAL CA C 91 60.525 60.773 -0.248 1
1 1082 . 1 1 1 A 91 91 VAL CB C 91 34.308 33.080 1.228 1
1 1085 . 1 1 1 A 91 91 VAL N N 91 121.165 127.272 -6.107 1
1 1086 . 1 1 1 A 92 92 GLY H H 92 8.941 8.587 0.354 1
1 1087 . 1 1 1 A 92 92 GLY HA2 H 92 4.571 4.280 0.291 1
1 1088 . 1 1 1 A 92 92 GLY HA3 H 92 3.581 4.282 -0.701 1
1 1089 . 1 1 1 A 92 92 GLY C C 92 171.577 171.907 -0.330 1
1 1090 . 1 1 1 A 92 92 GLY CA C 92 43.640 44.556 -0.916 1
1 1091 . 1 1 1 A 92 92 GLY N N 92 112.251 114.866 -2.615 1
1 1092 . 1 1 1 A 93 93 ALA H H 93 10.001 8.691 1.310 1
1 1093 . 1 1 1 A 93 93 ALA HA H 93 4.560 4.538 0.022 1
1 1097 . 1 1 1 A 93 93 ALA C C 93 176.786 176.771 0.015 1
1 1098 . 1 1 1 A 93 93 ALA CA C 93 51.060 51.110 -0.050 1
1 1099 . 1 1 1 A 93 93 ALA CB C 93 21.088 19.631 1.457 1
1 1100 . 1 1 1 A 93 93 ALA N N 93 126.200 126.262 -0.062 1
1 1101 . 1 1 1 A 94 94 CYS H H 94 8.739 8.419 0.320 1
1 1102 . 1 1 1 A 94 94 CYS HA H 94 5.214 5.004 0.210 1
1 1105 . 1 1 1 A 94 94 CYS C C 94 174.087 173.052 1.035 1
1 1106 . 1 1 1 A 94 94 CYS CA C 94 57.088 57.402 -0.314 1
1 1107 . 1 1 1 A 94 94 CYS CB C 94 31.345 31.569 -0.224 1
1 1108 . 1 1 1 A 94 94 CYS N N 94 118.064 117.121 0.943 1
1 1109 . 1 1 1 A 95 95 ASN H H 95 8.968 8.015 0.953 1
1 1110 . 1 1 1 A 95 95 ASN HA H 95 4.593 5.003 -0.410 1
1 1115 . 1 1 1 A 95 95 ASN C C 95 176.009 176.075 -0.066 1
1 1116 . 1 1 1 A 95 95 ASN CA C 95 52.981 50.694 2.287 1
1 1117 . 1 1 1 A 95 95 ASN CB C 95 39.336 39.914 -0.578 1
1 1118 . 1 1 1 A 95 95 ASN N N 95 121.604 120.049 1.555 1
1 1120 . 1 1 1 A 96 96 SER H H 96 8.483 8.863 -0.380 1
1 1121 . 1 1 1 A 96 96 SER HA H 96 4.085 4.132 -0.047 1
1 1124 . 1 1 1 A 96 96 SER C C 96 174.700 175.952 -1.252 1
1 1125 . 1 1 1 A 96 96 SER CA C 96 61.600 60.937 0.663 1
1 1126 . 1 1 1 A 96 96 SER CB C 96 62.794 62.823 -0.029 1
1 1127 . 1 1 1 A 96 96 SER N N 96 113.664 115.073 -1.409 1
1 1128 . 1 1 1 A 97 97 ALA H H 97 8.187 7.549 0.638 1
1 1129 . 1 1 1 A 97 97 ALA HA H 97 4.357 4.272 0.085 1
1 1133 . 1 1 1 A 97 97 ALA C C 97 177.600 176.456 1.144 1
1 1134 . 1 1 1 A 97 97 ALA CA C 97 52.681 54.792 -2.111 1
1 1135 . 1 1 1 A 97 97 ALA CB C 97 19.192 19.295 -0.103 1
1 1136 . 1 1 1 A 97 97 ALA N N 97 123.374 121.508 1.866 1
1 1137 . 1 1 1 A 98 98 GLY H H 98 7.800 8.179 -0.379 1
1 1138 . 1 1 1 A 98 98 GLY HA2 H 98 4.444 4.195 0.249 1
1 1139 . 1 1 1 A 98 98 GLY HA3 H 98 3.840 4.196 -0.356 1
1 1140 . 1 1 1 A 98 98 GLY C C 98 171.071 172.064 -0.993 1
1 1141 . 1 1 1 A 98 98 GLY CA C 98 44.809 43.968 0.841 1
1 1142 . 1 1 1 A 98 98 GLY N N 98 106.029 104.134 1.895 1
1 1143 . 1 1 1 A 99 99 CYS H H 99 8.399 8.682 -0.283 1
1 1144 . 1 1 1 A 99 99 CYS HA H 99 4.891 4.920 -0.029 1
1 1147 . 1 1 1 A 99 99 CYS C C 99 175.557 174.870 0.687 1
1 1148 . 1 1 1 A 99 99 CYS CA C 99 57.670 58.090 -0.420 1
1 1149 . 1 1 1 A 99 99 CYS CB C 99 29.469 29.020 0.449 1
1 1150 . 1 1 1 A 99 99 CYS N N 99 117.855 119.537 -1.682 1
1 1151 . 1 1 1 A 100 100 GLY H H 100 8.930 8.502 0.428 1
1 1152 . 1 1 1 A 100 100 GLY HA2 H 100 4.282 4.234 0.048 1
1 1153 . 1 1 1 A 100 100 GLY HA3 H 100 3.764 4.246 -0.482 1
1 1154 . 1 1 1 A 100 100 GLY C C 100 170.974 172.862 -1.888 1
1 1155 . 1 1 1 A 100 100 GLY CA C 100 45.578 43.675 1.903 1
1 1156 . 1 1 1 A 100 100 GLY N N 100 113.025 112.520 0.505 1
1 1157 . 1 1 1 A 101 101 PRO HA H 101 4.616 4.602 0.014 1
1 1164 . 1 1 1 A 101 101 PRO CA C 101 60.598 62.183 -1.585 1
1 1165 . 1 1 1 A 101 101 PRO CB C 101 30.874 31.805 -0.931 1
1 1168 . 1 1 1 A 102 102 PRO HA H 102 4.659 4.518 0.141 1
1 1175 . 1 1 1 A 102 102 PRO C C 102 178.078 176.505 1.573 1
1 1176 . 1 1 1 A 102 102 PRO CA C 102 62.111 62.382 -0.271 1
1 1177 . 1 1 1 A 102 102 PRO CB C 102 32.383 32.131 0.252 1
1 1180 . 1 1 1 A 103 103 SER H H 103 8.732 8.373 0.359 1
1 1181 . 1 1 1 A 103 103 SER HA H 103 4.222 4.622 -0.400 1
1 1184 . 1 1 1 A 103 103 SER C C 103 173.155 174.236 -1.081 1
1 1185 . 1 1 1 A 103 103 SER CA C 103 58.321 57.347 0.974 1
1 1186 . 1 1 1 A 103 103 SER CB C 103 65.815 65.742 0.073 1
1 1187 . 1 1 1 A 103 103 SER N N 103 113.387 114.815 -1.428 1
1 1188 . 1 1 1 A 104 104 ASP H H 104 8.248 8.292 -0.044 1
1 1189 . 1 1 1 A 104 104 ASP HA H 104 4.472 4.512 -0.040 1
1 1192 . 1 1 1 A 104 104 ASP C C 104 176.703 175.775 0.928 1
1 1193 . 1 1 1 A 104 104 ASP CA C 104 55.573 54.487 1.086 1
1 1194 . 1 1 1 A 104 104 ASP CB C 104 40.583 42.119 -1.536 1
1 1195 . 1 1 1 A 104 104 ASP N N 104 119.021 121.475 -2.454 1
1 1196 . 1 1 1 A 105 105 MET H H 105 8.460 8.699 -0.239 1
1 1197 . 1 1 1 A 105 105 MET HA H 105 4.542 4.887 -0.345 1
1 1205 . 1 1 1 A 105 105 MET C C 105 175.687 174.924 0.763 1
1 1206 . 1 1 1 A 105 105 MET CA C 105 56.348 54.865 1.483 1
1 1207 . 1 1 1 A 105 105 MET CB C 105 33.610 33.180 0.430 1
1 1210 . 1 1 1 A 105 105 MET N N 105 124.915 124.347 0.568 1
1 1211 . 1 1 1 A 106 106 ILE H H 106 8.914 8.697 0.217 1
1 1212 . 1 1 1 A 106 106 ILE HA H 106 4.571 5.023 -0.452 1
1 1222 . 1 1 1 A 106 106 ILE C C 106 173.498 175.662 -2.164 1
1 1223 . 1 1 1 A 106 106 ILE CA C 106 59.185 59.647 -0.462 1
1 1224 . 1 1 1 A 106 106 ILE CB C 106 40.786 41.216 -0.430 1
1 1228 . 1 1 1 A 106 106 ILE N N 106 126.141 127.041 -0.900 1
1 1229 . 1 1 1 A 107 107 GLU H H 107 7.999 9.052 -1.053 1
1 1230 . 1 1 1 A 107 107 GLU HA H 107 5.373 4.990 0.383 1
1 1235 . 1 1 1 A 107 107 GLU C C 107 175.263 175.343 -0.080 1
1 1236 . 1 1 1 A 107 107 GLU CA C 107 53.343 54.761 -1.418 1
1 1237 . 1 1 1 A 107 107 GLU CB C 107 32.951 32.936 0.015 1
1 1239 . 1 1 1 A 107 107 GLU N N 107 121.346 122.900 -1.554 1
1 1240 . 1 1 1 A 108 108 ALA H H 108 8.685 8.908 -0.223 1
1 1241 . 1 1 1 A 108 108 ALA HA H 108 4.549 5.645 -1.096 1
1 1245 . 1 1 1 A 108 108 ALA C C 108 174.431 175.897 -1.466 1
1 1246 . 1 1 1 A 108 108 ALA CA C 108 51.113 49.911 1.202 1
1 1247 . 1 1 1 A 108 108 ALA CB C 108 23.724 22.825 0.899 1
1 1248 . 1 1 1 A 108 108 ALA N N 108 123.009 124.285 -1.276 1
1 1249 . 1 1 1 A 109 109 PHE H H 109 8.519 9.137 -0.618 1
1 1250 . 1 1 1 A 109 109 PHE HA H 109 5.481 5.030 0.451 1
1 1258 . 1 1 1 A 109 109 PHE C C 109 177.604 175.773 1.831 1
1 1259 . 1 1 1 A 109 109 PHE CA C 109 55.854 56.516 -0.662 1
1 1260 . 1 1 1 A 109 109 PHE CB C 109 41.019 40.760 0.259 1
1 1266 . 1 1 1 A 109 109 PHE N N 109 119.997 118.313 1.684 1
1 1267 . 1 1 1 A 110 110 THR H H 110 8.839 8.431 0.408 1
1 1268 . 1 1 1 A 110 110 THR HA H 110 4.103 4.496 -0.393 1
1 1273 . 1 1 1 A 110 110 THR C C 110 175.354 174.268 1.086 1
1 1274 . 1 1 1 A 110 110 THR CA C 110 61.763 61.694 0.069 1
1 1275 . 1 1 1 A 110 110 THR CB C 110 69.356 70.615 -1.259 1
1 1277 . 1 1 1 A 110 110 THR N N 110 112.067 117.068 -5.001 1
1 1278 . 1 1 1 A 111 111 LYS H H 111 6.542 8.367 -1.825 1
1 1279 . 1 1 1 A 111 111 LYS HA H 111 4.208 4.658 -0.450 1
1 1288 . 1 1 1 A 111 111 LYS C C 111 176.693 177.005 -0.312 1
1 1289 . 1 1 1 A 111 111 LYS CA C 111 56.383 55.014 1.369 1
1 1290 . 1 1 1 A 111 111 LYS CB C 111 33.447 33.882 -0.435 1
1 1294 . 1 1 1 A 111 111 LYS N N 111 116.497 120.645 -4.148 1
1 1295 . 1 1 1 A 112 112 LYS H H 112 8.230 8.499 -0.269 1
1 1296 . 1 1 1 A 112 112 LYS HA H 112 4.143 4.443 -0.300 1
1 1304 . 1 1 1 A 112 112 LYS C C 112 176.823 176.482 0.341 1
1 1305 . 1 1 1 A 112 112 LYS CA C 112 57.229 56.596 0.633 1
1 1306 . 1 1 1 A 112 112 LYS CB C 112 33.528 33.272 0.256 1
1 1310 . 1 1 1 A 112 112 LYS N N 112 118.783 121.459 -2.676 1
1 1311 . 1 1 1 A 113 113 ALA H H 113 8.762 8.375 0.387 1
1 1312 . 1 1 1 A 113 113 ALA HA H 113 4.338 4.561 -0.223 1
1 1316 . 1 1 1 A 113 113 ALA C C 113 177.688 176.772 0.916 1
1 1317 . 1 1 1 A 113 113 ALA CA C 113 52.417 52.118 0.299 1
1 1318 . 1 1 1 A 113 113 ALA CB C 113 19.272 19.421 -0.149 1
1 1319 . 1 1 1 A 113 113 ALA N N 113 124.432 127.233 -2.801 1
1 1320 . 1 1 1 A 114 114 SER H H 114 8.386 8.836 -0.450 1
1 1321 . 1 1 1 A 114 114 SER HA H 114 4.487 4.983 -0.496 1
1 1324 . 1 1 1 A 114 114 SER C C 114 174.474 174.053 0.421 1
1 1325 . 1 1 1 A 114 114 SER CA C 114 58.063 56.964 1.099 1
1 1326 . 1 1 1 A 114 114 SER CB C 114 64.012 64.281 -0.269 1
1 1327 . 1 1 1 A 114 114 SER N N 114 115.798 118.648 -2.850 1
1 1328 . 1 1 1 A 115 115 GLY H H 115 8.278 8.463 -0.185 1
1 1329 . 1 1 1 A 115 115 GLY HA2 H 115 4.172 4.167 0.005 1
1 1330 . 1 1 1 A 115 115 GLY HA3 H 115 4.094 4.168 -0.074 1
1 1331 . 1 1 1 A 115 115 GLY C C 115 171.799 174.280 -2.481 1
1 1332 . 1 1 1 A 115 115 GLY CA C 115 44.662 44.574 0.088 1
1 1333 . 1 1 1 A 115 115 GLY N N 115 110.600 111.285 -0.685 1
1 1334 . 1 1 1 A 116 116 PRO HA H 116 4.472 4.529 -0.057 1
1 1341 . 1 1 1 A 116 116 PRO C C 116 177.440 176.347 1.093 1
1 1342 . 1 1 1 A 116 116 PRO CA C 116 63.275 63.831 -0.556 1
1 1343 . 1 1 1 A 116 116 PRO CB C 116 32.169 31.993 0.176 1
1 1346 . 1 1 1 A 117 117 SER HA H 117 4.505 4.247 0.258 1
1 1348 . 1 1 1 A 117 117 SER C C 117 174.652 174.179 0.473 1
1 1349 . 1 1 1 A 117 117 SER CA C 117 58.393 60.721 -2.328 1
1 1350 . 1 1 1 A 117 117 SER CB C 117 63.899 63.766 0.133 1
1 1351 . 1 1 1 A 117 117 SER N N 117 116.140 117.014 -0.874 1
1 1352 . 1 1 1 A 118 118 SER H H 118 8.314 8.979 -0.665 1
1 1353 . 1 1 1 A 118 118 SER HA H 118 4.494 4.455 0.039 1
1 1355 . 1 1 1 A 118 118 SER C C 118 173.938 174.296 -0.358 1
1 1356 . 1 1 1 A 118 118 SER CA C 118 58.428 59.669 -1.241 1
1 1357 . 1 1 1 A 118 118 SER CB C 118 63.929 64.723 -0.794 1
1 1358 . 1 1 1 A 118 118 SER N N 118 117.760 122.169 -4.409 1
1 6 . 2 1 1 A 4 4 GLY H H 4 8.507 8.582 -0.075 1
1 7 . 2 1 1 A 4 4 GLY HA2 H 4 4.513 3.998 0.515 1
1 8 . 2 1 1 A 4 4 GLY HA3 H 4 3.859 3.998 -0.139 1
1 9 . 2 1 1 A 4 4 GLY CA C 4 44.199 45.337 -1.138 1
1 10 . 2 1 1 A 4 4 GLY N N 4 116.148 109.165 6.983 1
1 11 . 2 1 1 A 6 6 SER HA H 6 4.472 4.911 -0.439 1
1 13 . 2 1 1 A 6 6 SER C C 6 174.998 173.327 1.671 1
1 14 . 2 1 1 A 6 6 SER CA C 6 58.657 56.476 2.181 1
1 15 . 2 1 1 A 6 6 SER CB C 6 64.025 64.875 -0.850 1
1 16 . 2 1 1 A 7 7 GLY H H 7 8.399 9.164 -0.765 1
1 17 . 2 1 1 A 7 7 GLY HA2 H 7 3.963 3.876 0.087 1
1 18 . 2 1 1 A 7 7 GLY HA3 H 7 3.963 3.876 0.087 1
1 19 . 2 1 1 A 7 7 GLY C C 7 173.942 173.792 0.150 1
1 20 . 2 1 1 A 7 7 GLY CA C 7 45.332 47.024 -1.692 1
1 21 . 2 1 1 A 7 7 GLY N N 7 110.856 115.607 -4.751 1
1 22 . 2 1 1 A 8 8 VAL H H 8 7.919 7.988 -0.069 1
1 23 . 2 1 1 A 8 8 VAL HA H 8 4.101 3.951 0.150 1
1 31 . 2 1 1 A 8 8 VAL C C 8 175.827 174.849 0.978 1
1 32 . 2 1 1 A 8 8 VAL CA C 8 61.987 63.023 -1.036 1
1 33 . 2 1 1 A 8 8 VAL CB C 8 32.786 31.744 1.042 1
1 36 . 2 1 1 A 8 8 VAL N N 8 119.305 121.608 -2.303 1
1 37 . 2 1 1 A 9 9 ALA H H 9 8.367 8.741 -0.374 1
1 38 . 2 1 1 A 9 9 ALA HA H 9 4.329 4.694 -0.365 1
1 42 . 2 1 1 A 9 9 ALA C C 9 177.422 176.550 0.872 1
1 43 . 2 1 1 A 9 9 ALA CA C 9 52.399 52.043 0.356 1
1 44 . 2 1 1 A 9 9 ALA CB C 9 19.317 20.874 -1.557 1
1 45 . 2 1 1 A 9 9 ALA N N 9 128.175 131.716 -3.541 1
1 46 . 2 1 1 A 10 10 VAL H H 10 8.154 8.652 -0.498 1
1 47 . 2 1 1 A 10 10 VAL HA H 10 4.046 3.993 0.053 1
1 55 . 2 1 1 A 10 10 VAL C C 10 176.076 176.712 -0.636 1
1 56 . 2 1 1 A 10 10 VAL CA C 10 62.288 63.383 -1.095 1
1 57 . 2 1 1 A 10 10 VAL CB C 10 32.786 31.795 0.991 1
1 60 . 2 1 1 A 10 10 VAL N N 10 120.641 124.014 -3.373 1
1 61 . 2 1 1 A 11 11 ILE H H 11 8.261 8.285 -0.024 1
1 62 . 2 1 1 A 11 11 ILE HA H 11 4.148 4.391 -0.243 1
1 72 . 2 1 1 A 11 11 ILE C C 11 175.857 175.730 0.127 1
1 73 . 2 1 1 A 11 11 ILE CA C 11 60.842 59.815 1.027 1
1 74 . 2 1 1 A 11 11 ILE CB C 11 38.776 39.422 -0.646 1
1 78 . 2 1 1 A 11 11 ILE N N 11 125.253 123.562 1.691 1
1 79 . 2 1 1 A 12 12 ASN H H 12 8.575 8.572 0.003 1
1 80 . 2 1 1 A 12 12 ASN HA H 12 4.737 5.277 -0.540 1
1 85 . 2 1 1 A 12 12 ASN C C 12 175.004 174.908 0.096 1
1 86 . 2 1 1 A 12 12 ASN CA C 12 53.087 52.200 0.887 1
1 87 . 2 1 1 A 12 12 ASN CB C 12 39.076 40.477 -1.401 1
1 88 . 2 1 1 A 12 12 ASN N N 12 123.538 119.945 3.593 1
1 90 . 2 1 1 A 13 13 SER H H 13 8.317 8.824 -0.507 1
1 91 . 2 1 1 A 13 13 SER HA H 13 4.373 5.141 -0.768 1
1 94 . 2 1 1 A 13 13 SER C C 13 174.118 172.536 1.582 1
1 95 . 2 1 1 A 13 13 SER CA C 13 58.375 56.506 1.869 1
1 96 . 2 1 1 A 13 13 SER CB C 13 63.866 66.833 -2.967 1
1 97 . 2 1 1 A 13 13 SER N N 13 116.982 114.704 2.278 1
1 98 . 2 1 1 A 14 14 ALA H H 14 8.317 8.477 -0.160 1
1 99 . 2 1 1 A 14 14 ALA HA H 14 4.285 4.989 -0.704 1
1 103 . 2 1 1 A 14 14 ALA C C 14 177.298 178.447 -1.149 1
1 104 . 2 1 1 A 14 14 ALA CA C 14 52.628 50.710 1.918 1
1 105 . 2 1 1 A 14 14 ALA CB C 14 19.192 22.354 -3.162 1
1 106 . 2 1 1 A 14 14 ALA N N 14 125.606 122.248 3.358 1
1 107 . 2 1 1 A 15 15 GLN H H 15 8.221 8.755 -0.534 1
1 108 . 2 1 1 A 15 15 GLN HA H 15 4.237 4.125 0.112 1
1 115 . 2 1 1 A 15 15 GLN C C 15 174.741 174.811 -0.070 1
1 116 . 2 1 1 A 15 15 GLN CA C 15 55.925 59.031 -3.106 1
1 117 . 2 1 1 A 15 15 GLN CB C 15 29.990 28.226 1.764 1
1 119 . 2 1 1 A 15 15 GLN N N 15 119.248 120.460 -1.212 1
1 121 . 2 1 1 A 16 16 ASP H H 16 7.898 7.748 0.150 1
1 122 . 2 1 1 A 16 16 ASP HA H 16 4.714 5.022 -0.308 1
1 125 . 2 1 1 A 16 16 ASP C C 16 175.219 173.953 1.266 1
1 126 . 2 1 1 A 16 16 ASP CA C 16 53.387 53.415 -0.028 1
1 127 . 2 1 1 A 16 16 ASP CB C 16 42.771 44.735 -1.964 1
1 128 . 2 1 1 A 16 16 ASP N N 16 119.674 117.640 2.034 1
1 129 . 2 1 1 A 17 17 ALA H H 17 8.256 8.254 0.002 1
1 130 . 2 1 1 A 17 17 ALA HA H 17 4.549 4.785 -0.236 1
1 134 . 2 1 1 A 17 17 ALA C C 17 174.226 174.224 0.002 1
1 135 . 2 1 1 A 17 17 ALA CA C 17 50.514 50.446 0.068 1
1 136 . 2 1 1 A 17 17 ALA CB C 17 16.689 22.387 -5.698 1
1 137 . 2 1 1 A 17 17 ALA N N 17 123.830 120.929 2.901 1
1 138 . 2 1 1 A 18 18 PRO HA H 18 4.247 4.744 -0.497 1
1 145 . 2 1 1 A 18 18 PRO CA C 18 63.135 62.859 0.276 1
1 146 . 2 1 1 A 18 18 PRO CB C 18 31.866 32.176 -0.310 1
1 149 . 2 1 1 A 19 19 SER HA H 19 4.524 4.583 -0.059 1
1 152 . 2 1 1 A 19 19 SER C C 19 173.934 174.044 -0.110 1
1 153 . 2 1 1 A 19 19 SER CA C 19 58.657 58.446 0.211 1
1 154 . 2 1 1 A 19 19 SER CB C 19 65.246 65.544 -0.298 1
1 155 . 2 1 1 A 20 20 GLU H H 20 7.589 7.731 -0.142 1
1 156 . 2 1 1 A 20 20 GLU HA H 20 4.604 4.815 -0.211 1
1 161 . 2 1 1 A 20 20 GLU C C 20 175.082 175.171 -0.089 1
1 162 . 2 1 1 A 20 20 GLU CA C 20 54.762 55.700 -0.938 1
1 163 . 2 1 1 A 20 20 GLU CB C 20 33.405 31.702 1.703 1
1 165 . 2 1 1 A 20 20 GLU N N 20 121.739 121.406 0.333 1
1 166 . 2 1 1 A 21 21 ALA H H 21 8.564 8.850 -0.286 1
1 167 . 2 1 1 A 21 21 ALA HA H 21 4.995 4.955 0.040 1
1 171 . 2 1 1 A 21 21 ALA C C 21 175.731 175.582 0.149 1
1 172 . 2 1 1 A 21 21 ALA CA C 21 49.341 49.801 -0.460 1
1 173 . 2 1 1 A 21 21 ALA CB C 21 19.388 20.160 -0.772 1
1 174 . 2 1 1 A 21 21 ALA N N 21 125.054 128.049 -2.995 1
1 175 . 2 1 1 A 22 22 PRO HA H 22 4.529 4.893 -0.364 1
1 182 . 2 1 1 A 22 22 PRO C C 22 174.830 176.844 -2.014 1
1 183 . 2 1 1 A 22 22 PRO CA C 22 63.076 62.841 0.235 1
1 184 . 2 1 1 A 22 22 PRO CB C 22 32.294 31.833 0.461 1
1 187 . 2 1 1 A 23 23 THR H H 23 7.442 8.469 -1.027 1
1 188 . 2 1 1 A 23 23 THR HA H 23 4.663 4.607 0.056 1
1 193 . 2 1 1 A 23 23 THR C C 23 172.878 174.751 -1.873 1
1 194 . 2 1 1 A 23 23 THR CA C 23 59.961 61.710 -1.749 1
1 195 . 2 1 1 A 23 23 THR CB C 23 72.337 69.925 2.412 1
1 197 . 2 1 1 A 23 23 THR N N 23 109.039 118.385 -9.346 1
1 198 . 2 1 1 A 24 24 GLU H H 24 8.782 8.946 -0.164 1
1 199 . 2 1 1 A 24 24 GLU HA H 24 3.911 3.848 0.063 1
1 204 . 2 1 1 A 24 24 GLU C C 24 175.816 174.792 1.024 1
1 205 . 2 1 1 A 24 24 GLU CA C 24 56.172 57.212 -1.040 1
1 206 . 2 1 1 A 24 24 GLU CB C 24 27.761 27.823 -0.062 1
1 208 . 2 1 1 A 24 24 GLU N N 24 115.227 119.073 -3.846 1
1 209 . 2 1 1 A 25 25 VAL H H 25 8.030 7.915 0.115 1
1 210 . 2 1 1 A 25 25 VAL HA H 25 4.891 4.670 0.221 1
1 218 . 2 1 1 A 25 25 VAL C C 25 177.065 175.077 1.988 1
1 219 . 2 1 1 A 25 25 VAL CA C 25 62.446 61.096 1.350 1
1 220 . 2 1 1 A 25 25 VAL CB C 25 31.471 33.517 -2.046 1
1 223 . 2 1 1 A 25 25 VAL N N 25 119.529 118.528 1.001 1
1 224 . 2 1 1 A 26 26 GLY H H 26 8.796 8.671 0.125 1
1 225 . 2 1 1 A 26 26 GLY HA2 H 26 4.420 4.460 -0.040 1
1 226 . 2 1 1 A 26 26 GLY HA3 H 26 3.646 4.468 -0.822 1
1 227 . 2 1 1 A 26 26 GLY C C 26 170.874 173.524 -2.650 1
1 228 . 2 1 1 A 26 26 GLY CA C 26 44.468 44.451 0.017 1
1 229 . 2 1 1 A 26 26 GLY N N 26 114.560 114.779 -0.219 1
1 230 . 2 1 1 A 27 27 VAL H H 27 8.332 8.747 -0.415 1
1 231 . 2 1 1 A 27 27 VAL HA H 27 5.508 5.155 0.353 1
1 239 . 2 1 1 A 27 27 VAL C C 27 175.652 173.796 1.856 1
1 240 . 2 1 1 A 27 27 VAL CA C 27 58.279 59.383 -1.104 1
1 241 . 2 1 1 A 27 27 VAL CB C 27 36.230 35.202 1.028 1
1 244 . 2 1 1 A 27 27 VAL N N 27 110.792 116.007 -5.215 1
1 245 . 2 1 1 A 28 28 LYS H H 28 9.143 9.402 -0.259 1
1 246 . 2 1 1 A 28 28 LYS HA H 28 4.550 5.079 -0.529 1
1 254 . 2 1 1 A 28 28 LYS C C 28 175.150 175.274 -0.124 1
1 255 . 2 1 1 A 28 28 LYS CA C 28 55.396 54.655 0.741 1
1 256 . 2 1 1 A 28 28 LYS CB C 28 35.134 35.529 -0.395 1
1 260 . 2 1 1 A 28 28 LYS N N 28 123.314 124.289 -0.975 1
1 261 . 2 1 1 A 29 29 VAL H H 29 9.190 8.988 0.202 1
1 262 . 2 1 1 A 29 29 VAL HA H 29 3.939 4.054 -0.115 1
1 270 . 2 1 1 A 29 29 VAL C C 29 176.162 175.337 0.825 1
1 271 . 2 1 1 A 29 29 VAL CA C 29 64.332 63.213 1.119 1
1 272 . 2 1 1 A 29 29 VAL CB C 29 31.417 30.956 0.461 1
1 275 . 2 1 1 A 29 29 VAL N N 29 127.176 127.459 -0.283 1
1 276 . 2 1 1 A 30 30 LEU H H 30 8.108 8.378 -0.270 1
1 277 . 2 1 1 A 30 30 LEU HA H 30 4.375 4.210 0.165 1
1 287 . 2 1 1 A 30 30 LEU C C 30 177.477 176.987 0.490 1
1 288 . 2 1 1 A 30 30 LEU CA C 30 55.886 56.800 -0.914 1
1 289 . 2 1 1 A 30 30 LEU CB C 30 42.498 42.703 -0.205 1
1 293 . 2 1 1 A 30 30 LEU N N 30 128.053 130.102 -2.049 1
1 294 . 2 1 1 A 31 31 SER H H 31 8.152 7.986 0.166 1
1 295 . 2 1 1 A 31 31 SER HA H 31 4.748 4.843 -0.095 1
1 298 . 2 1 1 A 31 31 SER C C 31 173.427 174.760 -1.333 1
1 299 . 2 1 1 A 31 31 SER CA C 31 57.811 57.248 0.563 1
1 300 . 2 1 1 A 31 31 SER CB C 31 64.517 67.081 -2.564 1
1 301 . 2 1 1 A 31 31 SER N N 31 112.798 112.024 0.774 1
1 302 . 2 1 1 A 32 32 SER H H 32 8.450 8.764 -0.314 1
1 303 . 2 1 1 A 32 32 SER HA H 32 4.604 4.211 0.393 1
1 306 . 2 1 1 A 32 32 SER C C 32 172.423 174.744 -2.321 1
1 307 . 2 1 1 A 32 32 SER CA C 32 59.414 61.131 -1.717 1
1 308 . 2 1 1 A 32 32 SER CB C 32 63.903 62.709 1.194 1
1 309 . 2 1 1 A 32 32 SER N N 32 112.687 118.224 -5.537 1
1 310 . 2 1 1 A 33 33 SER H H 33 8.355 7.834 0.521 1
1 311 . 2 1 1 A 33 33 SER HA H 33 4.759 4.620 0.139 1
1 314 . 2 1 1 A 33 33 SER C C 33 173.940 173.424 0.516 1
1 315 . 2 1 1 A 33 33 SER CA C 33 57.229 57.088 0.141 1
1 316 . 2 1 1 A 33 33 SER CB C 33 66.786 63.910 2.876 1
1 317 . 2 1 1 A 33 33 SER N N 33 109.767 111.583 -1.816 1
1 318 . 2 1 1 A 34 34 GLU H H 34 6.978 7.677 -0.699 1
1 319 . 2 1 1 A 34 34 GLU HA H 34 5.487 5.036 0.451 1
1 324 . 2 1 1 A 34 34 GLU C C 34 175.294 174.539 0.755 1
1 325 . 2 1 1 A 34 34 GLU CA C 34 55.130 54.993 0.137 1
1 326 . 2 1 1 A 34 34 GLU CB C 34 35.711 33.766 1.945 1
1 328 . 2 1 1 A 34 34 GLU N N 34 119.009 120.367 -1.358 1
1 329 . 2 1 1 A 35 35 ILE H H 35 8.190 8.258 -0.068 1
1 330 . 2 1 1 A 35 35 ILE HA H 35 4.477 4.757 -0.280 1
1 340 . 2 1 1 A 35 35 ILE C C 35 173.681 173.600 0.081 1
1 341 . 2 1 1 A 35 35 ILE CA C 35 60.203 60.135 0.068 1
1 342 . 2 1 1 A 35 35 ILE CB C 35 43.791 42.082 1.709 1
1 346 . 2 1 1 A 35 35 ILE N N 35 120.691 122.790 -2.099 1
1 347 . 2 1 1 A 36 36 SER H H 36 9.269 9.232 0.037 1
1 348 . 2 1 1 A 36 36 SER HA H 36 5.300 5.340 -0.040 1
1 351 . 2 1 1 A 36 36 SER C C 36 172.945 173.244 -0.299 1
1 352 . 2 1 1 A 36 36 SER CA C 36 56.549 56.573 -0.024 1
1 353 . 2 1 1 A 36 36 SER CB C 36 64.591 64.615 -0.024 1
1 354 . 2 1 1 A 36 36 SER N N 36 120.471 122.301 -1.830 1
1 355 . 2 1 1 A 37 37 VAL H H 37 9.000 9.272 -0.272 1
1 356 . 2 1 1 A 37 37 VAL HA H 37 4.902 4.552 0.350 1
1 364 . 2 1 1 A 37 37 VAL C C 37 173.530 175.124 -1.594 1
1 365 . 2 1 1 A 37 37 VAL CA C 37 60.261 61.496 -1.235 1
1 366 . 2 1 1 A 37 37 VAL CB C 37 35.001 32.809 2.192 1
1 369 . 2 1 1 A 37 37 VAL N N 37 127.009 127.154 -0.145 1
1 370 . 2 1 1 A 38 38 HIS H H 38 8.779 8.863 -0.084 1
1 371 . 2 1 1 A 38 38 HIS HA H 38 5.238 5.061 0.177 1
1 376 . 2 1 1 A 38 38 HIS C C 38 173.545 174.965 -1.420 1
1 377 . 2 1 1 A 38 38 HIS CA C 38 54.991 54.654 0.337 1
1 378 . 2 1 1 A 38 38 HIS CB C 38 32.564 32.127 0.437 1
1 381 . 2 1 1 A 38 38 HIS N N 38 123.115 125.334 -2.219 1
1 382 . 2 1 1 A 39 39 TRP H H 39 7.682 8.404 -0.722 1
1 383 . 2 1 1 A 39 39 TRP HA H 39 5.044 5.337 -0.293 1
1 392 . 2 1 1 A 39 39 TRP C C 39 173.585 172.837 0.748 1
1 393 . 2 1 1 A 39 39 TRP CA C 39 57.170 55.417 1.753 1
1 394 . 2 1 1 A 39 39 TRP CB C 39 31.554 32.024 -0.470 1
1 400 . 2 1 1 A 39 39 TRP N N 39 116.447 119.301 -2.854 1
1 402 . 2 1 1 A 40 40 GLU H H 40 8.522 8.547 -0.025 1
1 403 . 2 1 1 A 40 40 GLU HA H 40 4.619 4.742 -0.123 1
1 408 . 2 1 1 A 40 40 GLU C C 40 177.186 177.003 0.183 1
1 409 . 2 1 1 A 40 40 GLU CA C 40 54.356 55.095 -0.739 1
1 410 . 2 1 1 A 40 40 GLU CB C 40 30.344 31.328 -0.984 1
1 412 . 2 1 1 A 40 40 GLU N N 40 117.208 121.017 -3.809 1
1 413 . 2 1 1 A 41 41 HIS H H 41 8.477 8.826 -0.349 1
1 414 . 2 1 1 A 41 41 HIS HA H 41 4.748 4.789 -0.041 1
1 419 . 2 1 1 A 41 41 HIS C C 41 177.474 175.819 1.655 1
1 420 . 2 1 1 A 41 41 HIS CA C 41 54.779 56.977 -2.198 1
1 421 . 2 1 1 A 41 41 HIS CB C 41 31.140 30.389 0.751 1
1 424 . 2 1 1 A 41 41 HIS N N 41 119.083 124.701 -5.618 1
1 425 . 2 1 1 A 42 42 VAL H H 42 7.680 8.437 -0.757 1
1 426 . 2 1 1 A 42 42 VAL HA H 42 4.428 4.467 -0.039 1
1 434 . 2 1 1 A 42 42 VAL C C 42 175.401 177.322 -1.921 1
1 435 . 2 1 1 A 42 42 VAL CA C 42 60.878 61.622 -0.744 1
1 436 . 2 1 1 A 42 42 VAL CB C 42 32.216 33.233 -1.017 1
1 439 . 2 1 1 A 42 42 VAL N N 42 114.975 122.160 -7.185 1
1 440 . 2 1 1 A 43 43 LEU H H 43 9.107 8.825 0.282 1
1 441 . 2 1 1 A 43 43 LEU HA H 43 4.303 4.132 0.171 1
1 451 . 2 1 1 A 43 43 LEU C C 43 178.603 177.578 1.025 1
1 452 . 2 1 1 A 43 43 LEU CA C 43 55.872 57.355 -1.483 1
1 453 . 2 1 1 A 43 43 LEU CB C 43 41.684 41.503 0.181 1
1 457 . 2 1 1 A 43 43 LEU N N 43 123.877 123.238 0.639 1
1 458 . 2 1 1 A 44 44 GLU H H 44 7.988 7.704 0.284 1
1 459 . 2 1 1 A 44 44 GLU HA H 44 4.152 4.302 -0.150 1
1 464 . 2 1 1 A 44 44 GLU C C 44 177.236 176.322 0.914 1
1 465 . 2 1 1 A 44 44 GLU CA C 44 57.282 56.566 0.716 1
1 466 . 2 1 1 A 44 44 GLU CB C 44 31.033 30.305 0.728 1
1 468 . 2 1 1 A 44 44 GLU N N 44 119.655 121.875 -2.220 1
1 469 . 2 1 1 A 45 45 LYS H H 45 8.596 8.643 -0.047 1
1 470 . 2 1 1 A 45 45 LYS HA H 45 4.295 4.479 -0.184 1
1 479 . 2 1 1 A 45 45 LYS C C 45 177.258 177.421 -0.163 1
1 480 . 2 1 1 A 45 45 LYS CA C 45 57.170 56.472 0.698 1
1 481 . 2 1 1 A 45 45 LYS CB C 45 32.204 32.546 -0.342 1
1 485 . 2 1 1 A 45 45 LYS N N 45 120.518 123.985 -3.467 1
1 486 . 2 1 1 A 46 46 ILE H H 46 7.212 7.537 -0.325 1
1 487 . 2 1 1 A 46 46 ILE HA H 46 4.371 4.317 0.054 1
1 497 . 2 1 1 A 46 46 ILE C C 46 175.191 176.298 -1.107 1
1 498 . 2 1 1 A 46 46 ILE CA C 46 60.666 62.439 -1.773 1
1 499 . 2 1 1 A 46 46 ILE CB C 46 37.531 38.514 -0.983 1
1 503 . 2 1 1 A 46 46 ILE N N 46 111.434 112.897 -1.463 1
1 504 . 2 1 1 A 47 47 VAL H H 47 7.378 7.221 0.157 1
1 505 . 2 1 1 A 47 47 VAL HA H 47 3.658 3.840 -0.182 1
1 513 . 2 1 1 A 47 47 VAL C C 47 175.157 176.147 -0.990 1
1 514 . 2 1 1 A 47 47 VAL CA C 47 63.521 62.462 1.059 1
1 515 . 2 1 1 A 47 47 VAL CB C 47 33.570 31.826 1.744 1
1 518 . 2 1 1 A 47 47 VAL N N 47 122.780 121.887 0.893 1
1 519 . 2 1 1 A 48 48 GLU H H 48 8.733 8.786 -0.053 1
1 520 . 2 1 1 A 48 48 GLU HA H 48 4.615 4.055 0.560 1
1 525 . 2 1 1 A 48 48 GLU C C 48 176.241 176.537 -0.296 1
1 526 . 2 1 1 A 48 48 GLU CA C 48 56.701 59.137 -2.436 1
1 527 . 2 1 1 A 48 48 GLU CB C 48 32.966 30.238 2.728 1
1 529 . 2 1 1 A 48 48 GLU N N 48 124.835 127.152 -2.317 1
1 530 . 2 1 1 A 49 49 SER H H 49 8.130 7.600 0.530 1
1 531 . 2 1 1 A 49 49 SER HA H 49 4.726 4.700 0.026 1
1 534 . 2 1 1 A 49 49 SER C C 49 171.371 171.166 0.205 1
1 535 . 2 1 1 A 49 49 SER CA C 49 57.440 57.386 0.054 1
1 536 . 2 1 1 A 49 49 SER CB C 49 66.073 65.051 1.022 1
1 537 . 2 1 1 A 49 49 SER N N 49 114.231 110.894 3.337 1
1 538 . 2 1 1 A 50 50 TYR H H 50 8.681 8.804 -0.123 1
1 539 . 2 1 1 A 50 50 TYR HA H 50 5.057 5.057 0.000 1
1 546 . 2 1 1 A 50 50 TYR C C 50 174.034 174.902 -0.868 1
1 547 . 2 1 1 A 50 50 TYR CA C 50 57.434 56.452 0.982 1
1 548 . 2 1 1 A 50 50 TYR CB C 50 41.437 40.273 1.164 1
1 553 . 2 1 1 A 50 50 TYR N N 50 115.301 118.985 -3.684 1
1 554 . 2 1 1 A 51 51 GLN H H 51 9.200 8.308 0.892 1
1 555 . 2 1 1 A 51 51 GLN HA H 51 5.144 4.666 0.478 1
1 562 . 2 1 1 A 51 51 GLN C C 51 173.878 174.771 -0.893 1
1 563 . 2 1 1 A 51 51 GLN CA C 51 53.669 55.289 -1.620 1
1 564 . 2 1 1 A 51 51 GLN CB C 51 32.783 29.485 3.298 1
1 566 . 2 1 1 A 51 51 GLN N N 51 119.842 123.428 -3.586 1
1 568 . 2 1 1 A 52 52 ILE H H 52 9.441 8.793 0.648 1
1 569 . 2 1 1 A 52 52 ILE HA H 52 4.803 4.636 0.167 1
1 579 . 2 1 1 A 52 52 ILE C C 52 174.953 175.474 -0.521 1
1 580 . 2 1 1 A 52 52 ILE CA C 52 61.054 61.313 -0.259 1
1 581 . 2 1 1 A 52 52 ILE CB C 52 39.108 36.522 2.586 1
1 585 . 2 1 1 A 52 52 ILE N N 52 128.547 126.746 1.801 1
1 586 . 2 1 1 A 53 53 ARG H H 53 9.169 8.634 0.535 1
1 587 . 2 1 1 A 53 53 ARG HA H 53 5.628 4.573 1.055 1
1 594 . 2 1 1 A 53 53 ARG C C 53 174.869 175.904 -1.035 1
1 595 . 2 1 1 A 53 53 ARG CA C 53 54.479 56.975 -2.496 1
1 596 . 2 1 1 A 53 53 ARG CB C 53 33.942 30.666 3.276 1
1 599 . 2 1 1 A 53 53 ARG N N 53 127.779 129.298 -1.519 1
1 600 . 2 1 1 A 54 54 TYR H H 54 8.671 9.236 -0.565 1
1 601 . 2 1 1 A 54 54 TYR HA H 54 6.310 6.421 -0.111 1
1 608 . 2 1 1 A 54 54 TYR C C 54 173.965 174.057 -0.092 1
1 609 . 2 1 1 A 54 54 TYR CA C 54 55.291 55.897 -0.606 1
1 610 . 2 1 1 A 54 54 TYR CB C 54 41.930 42.578 -0.648 1
1 615 . 2 1 1 A 54 54 TYR N N 54 117.929 122.500 -4.571 1
1 616 . 2 1 1 A 55 55 TRP H H 55 8.928 9.011 -0.083 1
1 617 . 2 1 1 A 55 55 TRP HA H 55 5.054 5.388 -0.334 1
1 626 . 2 1 1 A 55 55 TRP C C 55 172.613 174.195 -1.582 1
1 627 . 2 1 1 A 55 55 TRP CA C 55 56.577 56.046 0.531 1
1 628 . 2 1 1 A 55 55 TRP CB C 55 32.118 31.568 0.550 1
1 634 . 2 1 1 A 55 55 TRP N N 55 121.459 119.234 2.225 1
1 636 . 2 1 1 A 56 56 ALA H H 56 8.870 8.118 0.752 1
1 637 . 2 1 1 A 56 56 ALA HA H 56 4.053 3.601 0.452 1
1 641 . 2 1 1 A 56 56 ALA C C 56 179.868 178.211 1.657 1
1 642 . 2 1 1 A 56 56 ALA CA C 56 50.478 51.727 -1.249 1
1 643 . 2 1 1 A 56 56 ALA CB C 56 19.108 18.378 0.730 1
1 644 . 2 1 1 A 56 56 ALA N N 56 124.214 123.004 1.210 1
1 645 . 2 1 1 A 57 57 ALA H H 57 8.147 8.487 -0.340 1
1 646 . 2 1 1 A 57 57 ALA HA H 57 3.913 4.110 -0.197 1
1 650 . 2 1 1 A 57 57 ALA C C 57 178.479 180.059 -1.580 1
1 651 . 2 1 1 A 57 57 ALA CA C 57 54.832 55.442 -0.610 1
1 652 . 2 1 1 A 57 57 ALA CB C 57 19.317 17.972 1.345 1
1 653 . 2 1 1 A 57 57 ALA N N 57 120.999 123.368 -2.369 1
1 654 . 2 1 1 A 58 58 HIS H H 58 7.274 7.745 -0.471 1
1 655 . 2 1 1 A 58 58 HIS HA H 58 4.605 4.336 0.269 1
1 660 . 2 1 1 A 58 58 HIS C C 58 175.349 175.703 -0.354 1
1 661 . 2 1 1 A 58 58 HIS CA C 58 56.066 59.154 -3.088 1
1 662 . 2 1 1 A 58 58 HIS CB C 58 29.780 28.750 1.030 1
1 665 . 2 1 1 A 58 58 HIS N N 58 109.961 115.185 -5.224 1
1 666 . 2 1 1 A 59 59 ASP H H 59 7.945 7.582 0.363 1
1 667 . 2 1 1 A 59 59 ASP HA H 59 4.869 4.747 0.122 1
1 670 . 2 1 1 A 59 59 ASP C C 59 175.895 176.102 -0.207 1
1 671 . 2 1 1 A 59 59 ASP CA C 59 53.898 54.938 -1.040 1
1 672 . 2 1 1 A 59 59 ASP CB C 59 42.385 41.544 0.841 1
1 673 . 2 1 1 A 59 59 ASP N N 59 123.825 121.300 2.525 1
1 674 . 2 1 1 A 60 60 LYS H H 60 8.147 8.756 -0.609 1
1 675 . 2 1 1 A 60 60 LYS HA H 60 4.197 4.686 -0.489 1
1 682 . 2 1 1 A 60 60 LYS C C 60 177.212 178.068 -0.856 1
1 683 . 2 1 1 A 60 60 LYS CA C 60 56.121 54.865 1.256 1
1 684 . 2 1 1 A 60 60 LYS CB C 60 32.951 34.547 -1.596 1
1 688 . 2 1 1 A 60 60 LYS N N 60 117.803 121.339 -3.536 1
1 689 . 2 1 1 A 61 61 GLU H H 61 8.381 8.911 -0.530 1
1 690 . 2 1 1 A 61 61 GLU HA H 61 2.603 3.326 -0.723 1
1 695 . 2 1 1 A 61 61 GLU C C 61 178.058 178.062 -0.004 1
1 696 . 2 1 1 A 61 61 GLU CA C 61 58.622 58.712 -0.090 1
1 697 . 2 1 1 A 61 61 GLU CB C 61 28.709 29.468 -0.759 1
1 699 . 2 1 1 A 61 61 GLU N N 61 122.310 122.564 -0.254 1
1 700 . 2 1 1 A 62 62 GLU H H 62 8.470 8.312 0.158 1
1 701 . 2 1 1 A 62 62 GLU HA H 62 3.919 4.013 -0.094 1
1 706 . 2 1 1 A 62 62 GLU C C 62 176.293 177.321 -1.028 1
1 707 . 2 1 1 A 62 62 GLU CA C 62 57.899 58.969 -1.070 1
1 708 . 2 1 1 A 62 62 GLU CB C 62 28.796 28.974 -0.178 1
1 710 . 2 1 1 A 62 62 GLU N N 62 117.600 116.419 1.181 1
1 711 . 2 1 1 A 63 63 ALA H H 63 7.760 7.361 0.399 1
1 712 . 2 1 1 A 63 63 ALA HA H 63 4.443 4.389 0.054 1
1 716 . 2 1 1 A 63 63 ALA C C 63 176.867 177.048 -0.181 1
1 717 . 2 1 1 A 63 63 ALA CA C 63 51.095 51.500 -0.405 1
1 718 . 2 1 1 A 63 63 ALA CB C 63 18.845 18.920 -0.075 1
1 719 . 2 1 1 A 63 63 ALA N N 63 123.067 120.584 2.483 1
1 720 . 2 1 1 A 64 64 ALA H H 64 7.389 7.126 0.263 1
1 721 . 2 1 1 A 64 64 ALA HA H 64 4.175 4.319 -0.144 1
1 725 . 2 1 1 A 64 64 ALA C C 64 177.784 177.027 0.757 1
1 726 . 2 1 1 A 64 64 ALA CA C 64 53.099 51.450 1.649 1
1 727 . 2 1 1 A 64 64 ALA CB C 64 19.784 19.410 0.374 1
1 728 . 2 1 1 A 64 64 ALA N N 64 121.409 121.247 0.162 1
1 729 . 2 1 1 A 65 65 ASN H H 65 8.152 8.144 0.008 1
1 730 . 2 1 1 A 65 65 ASN HA H 65 4.714 5.366 -0.652 1
1 735 . 2 1 1 A 65 65 ASN C C 65 173.533 174.396 -0.863 1
1 736 . 2 1 1 A 65 65 ASN CA C 65 52.523 51.955 0.568 1
1 737 . 2 1 1 A 65 65 ASN CB C 65 40.739 40.882 -0.143 1
1 738 . 2 1 1 A 65 65 ASN N N 65 119.620 119.757 -0.137 1
1 740 . 2 1 1 A 66 66 ARG H H 66 8.366 8.938 -0.572 1
1 741 . 2 1 1 A 66 66 ARG HA H 66 5.760 5.346 0.414 1
1 748 . 2 1 1 A 66 66 ARG C C 66 175.946 174.407 1.539 1
1 749 . 2 1 1 A 66 66 ARG CA C 66 54.902 54.069 0.833 1
1 750 . 2 1 1 A 66 66 ARG CB C 66 34.116 34.073 0.043 1
1 753 . 2 1 1 A 66 66 ARG N N 66 116.911 118.791 -1.880 1
1 754 . 2 1 1 A 67 67 VAL H H 67 9.057 8.703 0.354 1
1 755 . 2 1 1 A 67 67 VAL HA H 67 4.520 4.607 -0.087 1
1 763 . 2 1 1 A 67 67 VAL C C 67 173.731 174.588 -0.857 1
1 764 . 2 1 1 A 67 67 VAL CA C 67 60.845 61.529 -0.684 1
1 765 . 2 1 1 A 67 67 VAL CB C 67 35.917 33.817 2.100 1
1 768 . 2 1 1 A 67 67 VAL N N 67 122.047 121.874 0.173 1
1 769 . 2 1 1 A 68 68 GLN H H 68 8.741 8.946 -0.205 1
1 770 . 2 1 1 A 68 68 GLN HA H 68 5.543 4.898 0.645 1
1 777 . 2 1 1 A 68 68 GLN C C 68 175.452 175.887 -0.435 1
1 778 . 2 1 1 A 68 68 GLN CA C 68 54.462 55.656 -1.194 1
1 779 . 2 1 1 A 68 68 GLN CB C 68 32.087 29.831 2.256 1
1 781 . 2 1 1 A 68 68 GLN N N 68 124.250 128.187 -3.937 1
1 783 . 2 1 1 A 69 69 VAL H H 69 8.912 8.368 0.544 1
1 784 . 2 1 1 A 69 69 VAL HA H 69 5.012 4.912 0.100 1
1 792 . 2 1 1 A 69 69 VAL C C 69 175.870 174.876 0.994 1
1 793 . 2 1 1 A 69 69 VAL CA C 69 59.045 59.030 0.015 1
1 794 . 2 1 1 A 69 69 VAL CB C 69 35.106 35.651 -0.545 1
1 797 . 2 1 1 A 69 69 VAL N N 69 117.045 119.630 -2.585 1
1 798 . 2 1 1 A 70 70 THR H H 70 8.491 8.613 -0.122 1
1 799 . 2 1 1 A 70 70 THR HA H 70 4.585 4.414 0.171 1
1 804 . 2 1 1 A 70 70 THR C C 70 175.015 176.009 -0.994 1
1 805 . 2 1 1 A 70 70 THR CA C 70 62.917 62.345 0.572 1
1 806 . 2 1 1 A 70 70 THR CB C 70 70.767 69.888 0.879 1
1 808 . 2 1 1 A 70 70 THR N N 70 111.495 113.955 -2.460 1
1 809 . 2 1 1 A 71 71 SER H H 71 7.522 8.982 -1.460 1
1 810 . 2 1 1 A 71 71 SER HA H 71 4.148 4.534 -0.386 1
1 813 . 2 1 1 A 71 71 SER C C 71 174.340 176.942 -2.602 1
1 814 . 2 1 1 A 71 71 SER CA C 71 59.749 62.398 -2.649 1
1 815 . 2 1 1 A 71 71 SER CB C 71 63.060 62.855 0.205 1
1 816 . 2 1 1 A 71 71 SER N N 71 111.553 119.603 -8.050 1
1 817 . 2 1 1 A 72 72 GLN H H 72 7.718 8.018 -0.300 1
1 818 . 2 1 1 A 72 72 GLN HA H 72 4.428 4.219 0.209 1
1 823 . 2 1 1 A 72 72 GLN C C 72 176.456 177.043 -0.587 1
1 824 . 2 1 1 A 72 72 GLN CA C 72 56.630 58.412 -1.782 1
1 825 . 2 1 1 A 72 72 GLN CB C 72 29.373 28.712 0.661 1
1 827 . 2 1 1 A 72 72 GLN N N 72 117.502 118.677 -1.175 1
1 829 . 2 1 1 A 73 73 GLU H H 73 7.650 7.813 -0.163 1
1 830 . 2 1 1 A 73 73 GLU HA H 73 4.408 4.385 0.023 1
1 835 . 2 1 1 A 73 73 GLU C C 73 176.484 176.044 0.440 1
1 836 . 2 1 1 A 73 73 GLU CA C 73 56.472 56.352 0.120 1
1 837 . 2 1 1 A 73 73 GLU CB C 73 31.962 30.448 1.514 1
1 839 . 2 1 1 A 73 73 GLU N N 73 119.175 119.163 0.012 1
1 840 . 2 1 1 A 74 74 TYR H H 74 8.615 8.841 -0.226 1
1 841 . 2 1 1 A 74 74 TYR HA H 74 3.427 3.885 -0.458 1
1 848 . 2 1 1 A 74 74 TYR C C 74 171.853 175.209 -3.356 1
1 849 . 2 1 1 A 74 74 TYR CA C 74 56.565 58.634 -2.069 1
1 850 . 2 1 1 A 74 74 TYR CB C 74 39.410 38.111 1.299 1
1 855 . 2 1 1 A 74 74 TYR N N 74 118.997 125.530 -6.533 1
1 856 . 2 1 1 A 75 75 SER H H 75 6.801 7.340 -0.539 1
1 857 . 2 1 1 A 75 75 SER HA H 75 5.001 3.940 1.061 1
1 860 . 2 1 1 A 75 75 SER C C 75 172.976 171.695 1.281 1
1 861 . 2 1 1 A 75 75 SER CA C 75 56.154 57.011 -0.857 1
1 862 . 2 1 1 A 75 75 SER CB C 75 66.541 64.950 1.591 1
1 863 . 2 1 1 A 75 75 SER N N 75 109.803 111.623 -1.820 1
1 864 . 2 1 1 A 76 76 ALA H H 76 8.897 9.052 -0.155 1
1 865 . 2 1 1 A 76 76 ALA HA H 76 4.604 5.341 -0.737 1
1 869 . 2 1 1 A 76 76 ALA C C 76 174.777 175.250 -0.473 1
1 870 . 2 1 1 A 76 76 ALA CA C 76 51.359 50.736 0.623 1
1 871 . 2 1 1 A 76 76 ALA CB C 76 23.140 24.440 -1.300 1
1 872 . 2 1 1 A 76 76 ALA N N 76 120.416 123.424 -3.008 1
1 873 . 2 1 1 A 77 77 ARG H H 77 8.529 8.677 -0.148 1
1 874 . 2 1 1 A 77 77 ARG HA H 77 4.681 5.273 -0.592 1
1 881 . 2 1 1 A 77 77 ARG C C 77 174.533 174.385 0.148 1
1 882 . 2 1 1 A 77 77 ARG CA C 77 54.973 54.764 0.209 1
1 883 . 2 1 1 A 77 77 ARG CB C 77 31.839 33.895 -2.056 1
1 886 . 2 1 1 A 77 77 ARG N N 77 121.172 120.095 1.077 1
1 887 . 2 1 1 A 78 78 LEU H H 78 9.089 9.146 -0.057 1
1 888 . 2 1 1 A 78 78 LEU HA H 78 4.396 5.016 -0.620 1
1 898 . 2 1 1 A 78 78 LEU C C 78 175.107 175.571 -0.464 1
1 899 . 2 1 1 A 78 78 LEU CA C 78 53.333 53.047 0.286 1
1 900 . 2 1 1 A 78 78 LEU CB C 78 41.272 44.910 -3.638 1
1 904 . 2 1 1 A 78 78 LEU N N 78 126.698 128.469 -1.771 1
1 905 . 2 1 1 A 79 79 GLU H H 79 8.239 8.683 -0.444 1
1 906 . 2 1 1 A 79 79 GLU HA H 79 5.034 5.003 0.031 1
1 911 . 2 1 1 A 79 79 GLU C C 79 174.792 176.446 -1.654 1
1 912 . 2 1 1 A 79 79 GLU CA C 79 54.056 54.523 -0.467 1
1 913 . 2 1 1 A 79 79 GLU CB C 79 33.692 32.719 0.973 1
1 915 . 2 1 1 A 79 79 GLU N N 79 119.147 120.844 -1.697 1
1 916 . 2 1 1 A 80 80 ASN H H 80 9.068 8.811 0.257 1
1 917 . 2 1 1 A 80 80 ASN HA H 80 4.303 4.450 -0.147 1
1 922 . 2 1 1 A 80 80 ASN C C 80 174.823 174.460 0.363 1
1 923 . 2 1 1 A 80 80 ASN CA C 80 54.462 53.919 0.543 1
1 924 . 2 1 1 A 80 80 ASN CB C 80 37.359 36.264 1.095 1
1 925 . 2 1 1 A 80 80 ASN N N 80 113.324 120.639 -7.315 1
1 927 . 2 1 1 A 81 81 LEU H H 81 8.671 7.665 1.006 1
1 928 . 2 1 1 A 81 81 LEU HA H 81 4.252 4.519 -0.267 1
1 938 . 2 1 1 A 81 81 LEU C C 81 175.804 176.362 -0.558 1
1 939 . 2 1 1 A 81 81 LEU CA C 81 53.841 53.267 0.574 1
1 940 . 2 1 1 A 81 81 LEU CB C 81 40.891 42.863 -1.972 1
1 944 . 2 1 1 A 81 81 LEU N N 81 117.886 120.161 -2.275 1
1 945 . 2 1 1 A 82 82 LEU H H 82 8.448 8.609 -0.161 1
1 946 . 2 1 1 A 82 82 LEU HA H 82 4.600 4.599 0.001 1
1 956 . 2 1 1 A 82 82 LEU C C 82 175.149 174.834 0.315 1
1 957 . 2 1 1 A 82 82 LEU CA C 82 52.629 53.777 -1.148 1
1 958 . 2 1 1 A 82 82 LEU CB C 82 42.449 41.541 0.908 1
1 962 . 2 1 1 A 82 82 LEU N N 82 121.118 124.842 -3.724 1
1 963 . 2 1 1 A 83 83 PRO HA H 83 5.237 4.391 0.846 1
1 970 . 2 1 1 A 83 83 PRO C C 83 178.145 177.280 0.865 1
1 971 . 2 1 1 A 83 83 PRO CA C 83 62.472 63.118 -0.646 1
1 972 . 2 1 1 A 83 83 PRO CB C 83 33.232 32.292 0.940 1
1 975 . 2 1 1 A 84 84 ASP H H 84 7.943 9.322 -1.379 1
1 976 . 2 1 1 A 84 84 ASP HA H 84 4.208 4.500 -0.292 1
1 979 . 2 1 1 A 84 84 ASP C C 84 174.476 174.772 -0.296 1
1 980 . 2 1 1 A 84 84 ASP CA C 84 54.250 55.021 -0.771 1
1 981 . 2 1 1 A 84 84 ASP CB C 84 41.568 39.462 2.106 1
1 982 . 2 1 1 A 84 84 ASP N N 84 126.496 121.638 4.858 1
1 983 . 2 1 1 A 85 85 THR H H 85 8.261 8.089 0.172 1
1 984 . 2 1 1 A 85 85 THR HA H 85 4.381 4.570 -0.189 1
1 989 . 2 1 1 A 85 85 THR C C 85 170.639 173.082 -2.443 1
1 990 . 2 1 1 A 85 85 THR CA C 85 62.951 61.136 1.815 1
1 991 . 2 1 1 A 85 85 THR CB C 85 72.217 71.628 0.589 1
1 993 . 2 1 1 A 85 85 THR N N 85 114.015 112.698 1.317 1
1 994 . 2 1 1 A 86 86 GLN H H 86 8.221 8.373 -0.152 1
1 995 . 2 1 1 A 86 86 GLN HA H 86 3.664 4.030 -0.366 1
1 1002 . 2 1 1 A 86 86 GLN C C 86 172.890 174.049 -1.159 1
1 1003 . 2 1 1 A 86 86 GLN CA C 86 54.585 54.783 -0.198 1
1 1004 . 2 1 1 A 86 86 GLN CB C 86 28.836 28.433 0.403 1
1 1006 . 2 1 1 A 86 86 GLN N N 86 127.039 126.460 0.579 1
1 1008 . 2 1 1 A 87 87 TYR H H 87 8.976 8.398 0.578 1
1 1009 . 2 1 1 A 87 87 TYR HA H 87 4.583 5.136 -0.553 1
1 1016 . 2 1 1 A 87 87 TYR C C 87 173.534 174.867 -1.333 1
1 1017 . 2 1 1 A 87 87 TYR CA C 87 57.599 55.904 1.695 1
1 1018 . 2 1 1 A 87 87 TYR CB C 87 42.344 40.343 2.001 1
1 1023 . 2 1 1 A 87 87 TYR N N 87 126.060 126.467 -0.407 1
1 1024 . 2 1 1 A 88 88 PHE H H 88 8.388 8.649 -0.261 1
1 1025 . 2 1 1 A 88 88 PHE HA H 88 4.902 4.815 0.087 1
1 1033 . 2 1 1 A 88 88 PHE C C 88 175.238 174.844 0.394 1
1 1034 . 2 1 1 A 88 88 PHE CA C 88 55.872 57.290 -1.418 1
1 1035 . 2 1 1 A 88 88 PHE CB C 88 40.284 38.070 2.214 1
1 1041 . 2 1 1 A 88 88 PHE N N 88 118.991 123.075 -4.084 1
1 1042 . 2 1 1 A 89 89 ILE H H 89 8.450 8.964 -0.514 1
1 1043 . 2 1 1 A 89 89 ILE HA H 89 4.913 5.337 -0.424 1
1 1053 . 2 1 1 A 89 89 ILE C C 89 174.770 175.312 -0.542 1
1 1054 . 2 1 1 A 89 89 ILE CA C 89 60.472 60.077 0.395 1
1 1055 . 2 1 1 A 89 89 ILE CB C 89 43.167 40.219 2.948 1
1 1059 . 2 1 1 A 89 89 ILE N N 89 118.943 124.577 -5.634 1
1 1060 . 2 1 1 A 90 90 GLU H H 90 9.071 9.208 -0.137 1
1 1061 . 2 1 1 A 90 90 GLU HA H 90 4.558 5.233 -0.675 1
1 1066 . 2 1 1 A 90 90 GLU C C 90 173.981 175.309 -1.328 1
1 1067 . 2 1 1 A 90 90 GLU CA C 90 54.831 54.790 0.041 1
1 1068 . 2 1 1 A 90 90 GLU CB C 90 35.052 33.218 1.834 1
1 1070 . 2 1 1 A 90 90 GLU N N 90 124.044 125.864 -1.820 1
1 1071 . 2 1 1 A 91 91 VAL H H 91 8.564 8.831 -0.267 1
1 1072 . 2 1 1 A 91 91 VAL HA H 91 4.968 4.466 0.502 1
1 1080 . 2 1 1 A 91 91 VAL C C 91 174.488 175.353 -0.865 1
1 1081 . 2 1 1 A 91 91 VAL CA C 91 60.525 60.988 -0.463 1
1 1082 . 2 1 1 A 91 91 VAL CB C 91 34.308 31.733 2.575 1
1 1085 . 2 1 1 A 91 91 VAL N N 91 121.165 124.472 -3.307 1
1 1086 . 2 1 1 A 92 92 GLY H H 92 8.941 8.836 0.105 1
1 1087 . 2 1 1 A 92 92 GLY HA2 H 92 4.571 4.243 0.328 1
1 1088 . 2 1 1 A 92 92 GLY HA3 H 92 3.581 4.255 -0.674 1
1 1089 . 2 1 1 A 92 92 GLY C C 92 171.577 172.027 -0.450 1
1 1090 . 2 1 1 A 92 92 GLY CA C 92 43.640 44.364 -0.724 1
1 1091 . 2 1 1 A 92 92 GLY N N 92 112.251 114.674 -2.423 1
1 1092 . 2 1 1 A 93 93 ALA H H 93 10.001 8.582 1.419 1
1 1093 . 2 1 1 A 93 93 ALA HA H 93 4.560 4.375 0.185 1
1 1097 . 2 1 1 A 93 93 ALA C C 93 176.786 176.539 0.247 1
1 1098 . 2 1 1 A 93 93 ALA CA C 93 51.060 51.541 -0.481 1
1 1099 . 2 1 1 A 93 93 ALA CB C 93 21.088 19.754 1.334 1
1 1100 . 2 1 1 A 93 93 ALA N N 93 126.200 124.107 2.093 1
1 1101 . 2 1 1 A 94 94 CYS H H 94 8.739 8.162 0.577 1
1 1102 . 2 1 1 A 94 94 CYS HA H 94 5.214 4.973 0.241 1
1 1105 . 2 1 1 A 94 94 CYS C C 94 174.087 173.260 0.827 1
1 1106 . 2 1 1 A 94 94 CYS CA C 94 57.088 58.531 -1.443 1
1 1107 . 2 1 1 A 94 94 CYS CB C 94 31.345 31.403 -0.058 1
1 1108 . 2 1 1 A 94 94 CYS N N 94 118.064 120.461 -2.397 1
1 1109 . 2 1 1 A 95 95 ASN H H 95 8.968 8.414 0.554 1
1 1110 . 2 1 1 A 95 95 ASN HA H 95 4.593 5.024 -0.431 1
1 1115 . 2 1 1 A 95 95 ASN C C 95 176.009 176.820 -0.811 1
1 1116 . 2 1 1 A 95 95 ASN CA C 95 52.981 50.665 2.316 1
1 1117 . 2 1 1 A 95 95 ASN CB C 95 39.336 39.928 -0.592 1
1 1118 . 2 1 1 A 95 95 ASN N N 95 121.604 124.527 -2.923 1
1 1120 . 2 1 1 A 96 96 SER H H 96 8.483 8.791 -0.308 1
1 1121 . 2 1 1 A 96 96 SER HA H 96 4.085 4.181 -0.096 1
1 1124 . 2 1 1 A 96 96 SER C C 96 174.700 176.477 -1.777 1
1 1125 . 2 1 1 A 96 96 SER CA C 96 61.600 61.358 0.242 1
1 1126 . 2 1 1 A 96 96 SER CB C 96 62.794 62.696 0.098 1
1 1127 . 2 1 1 A 96 96 SER N N 96 113.664 113.968 -0.304 1
1 1128 . 2 1 1 A 97 97 ALA H H 97 8.187 7.664 0.523 1
1 1129 . 2 1 1 A 97 97 ALA HA H 97 4.357 4.015 0.342 1
1 1133 . 2 1 1 A 97 97 ALA C C 97 177.600 177.388 0.212 1
1 1134 . 2 1 1 A 97 97 ALA CA C 97 52.681 55.050 -2.369 1
1 1135 . 2 1 1 A 97 97 ALA CB C 97 19.192 18.731 0.461 1
1 1136 . 2 1 1 A 97 97 ALA N N 97 123.374 123.316 0.058 1
1 1137 . 2 1 1 A 98 98 GLY H H 98 7.800 7.787 0.013 1
1 1138 . 2 1 1 A 98 98 GLY HA2 H 98 4.444 4.125 0.319 1
1 1139 . 2 1 1 A 98 98 GLY HA3 H 98 3.840 4.126 -0.286 1
1 1140 . 2 1 1 A 98 98 GLY C C 98 171.071 172.785 -1.714 1
1 1141 . 2 1 1 A 98 98 GLY CA C 98 44.809 43.943 0.866 1
1 1142 . 2 1 1 A 98 98 GLY N N 98 106.029 104.615 1.414 1
1 1143 . 2 1 1 A 99 99 CYS H H 99 8.399 8.694 -0.295 1
1 1144 . 2 1 1 A 99 99 CYS HA H 99 4.891 5.380 -0.489 1
1 1147 . 2 1 1 A 99 99 CYS C C 99 175.557 174.177 1.380 1
1 1148 . 2 1 1 A 99 99 CYS CA C 99 57.670 57.531 0.139 1
1 1149 . 2 1 1 A 99 99 CYS CB C 99 29.469 29.306 0.163 1
1 1150 . 2 1 1 A 99 99 CYS N N 99 117.855 117.275 0.580 1
1 1151 . 2 1 1 A 100 100 GLY H H 100 8.930 8.926 0.004 1
1 1152 . 2 1 1 A 100 100 GLY HA2 H 100 4.282 4.210 0.072 1
1 1153 . 2 1 1 A 100 100 GLY HA3 H 100 3.764 4.220 -0.456 1
1 1154 . 2 1 1 A 100 100 GLY C C 100 170.974 173.015 -2.041 1
1 1155 . 2 1 1 A 100 100 GLY CA C 100 45.578 43.740 1.838 1
1 1156 . 2 1 1 A 100 100 GLY N N 100 113.025 110.842 2.183 1
1 1157 . 2 1 1 A 101 101 PRO HA H 101 4.616 4.597 0.019 1
1 1164 . 2 1 1 A 101 101 PRO CA C 101 60.598 62.191 -1.593 1
1 1165 . 2 1 1 A 101 101 PRO CB C 101 30.874 31.985 -1.111 1
1 1168 . 2 1 1 A 102 102 PRO HA H 102 4.659 4.522 0.137 1
1 1175 . 2 1 1 A 102 102 PRO C C 102 178.078 176.472 1.606 1
1 1176 . 2 1 1 A 102 102 PRO CA C 102 62.111 62.332 -0.221 1
1 1177 . 2 1 1 A 102 102 PRO CB C 102 32.383 32.176 0.207 1
1 1180 . 2 1 1 A 103 103 SER H H 103 8.732 8.412 0.320 1
1 1181 . 2 1 1 A 103 103 SER HA H 103 4.222 4.625 -0.403 1
1 1184 . 2 1 1 A 103 103 SER C C 103 173.155 174.003 -0.848 1
1 1185 . 2 1 1 A 103 103 SER CA C 103 58.321 57.435 0.886 1
1 1186 . 2 1 1 A 103 103 SER CB C 103 65.815 65.683 0.132 1
1 1187 . 2 1 1 A 103 103 SER N N 103 113.387 114.951 -1.564 1
1 1188 . 2 1 1 A 104 104 ASP H H 104 8.248 8.812 -0.564 1
1 1189 . 2 1 1 A 104 104 ASP HA H 104 4.472 4.515 -0.043 1
1 1192 . 2 1 1 A 104 104 ASP C C 104 176.703 176.522 0.181 1
1 1193 . 2 1 1 A 104 104 ASP CA C 104 55.573 54.788 0.785 1
1 1194 . 2 1 1 A 104 104 ASP CB C 104 40.583 41.018 -0.435 1
1 1195 . 2 1 1 A 104 104 ASP N N 104 119.021 120.816 -1.795 1
1 1196 . 2 1 1 A 105 105 MET H H 105 8.460 8.515 -0.055 1
1 1197 . 2 1 1 A 105 105 MET HA H 105 4.542 4.528 0.014 1
1 1205 . 2 1 1 A 105 105 MET C C 105 175.687 175.275 0.412 1
1 1206 . 2 1 1 A 105 105 MET CA C 105 56.348 55.990 0.358 1
1 1207 . 2 1 1 A 105 105 MET CB C 105 33.610 33.152 0.458 1
1 1210 . 2 1 1 A 105 105 MET N N 105 124.915 122.973 1.942 1
1 1211 . 2 1 1 A 106 106 ILE H H 106 8.914 8.932 -0.018 1
1 1212 . 2 1 1 A 106 106 ILE HA H 106 4.571 4.972 -0.401 1
1 1222 . 2 1 1 A 106 106 ILE C C 106 173.498 175.741 -2.243 1
1 1223 . 2 1 1 A 106 106 ILE CA C 106 59.185 60.040 -0.855 1
1 1224 . 2 1 1 A 106 106 ILE CB C 106 40.786 40.100 0.686 1
1 1228 . 2 1 1 A 106 106 ILE N N 106 126.141 127.793 -1.652 1
1 1229 . 2 1 1 A 107 107 GLU H H 107 7.999 9.024 -1.025 1
1 1230 . 2 1 1 A 107 107 GLU HA H 107 5.373 4.963 0.410 1
1 1235 . 2 1 1 A 107 107 GLU C C 107 175.263 175.260 0.003 1
1 1236 . 2 1 1 A 107 107 GLU CA C 107 53.343 54.865 -1.522 1
1 1237 . 2 1 1 A 107 107 GLU CB C 107 32.951 32.703 0.248 1
1 1239 . 2 1 1 A 107 107 GLU N N 107 121.346 124.833 -3.487 1
1 1240 . 2 1 1 A 108 108 ALA H H 108 8.685 8.534 0.151 1
1 1241 . 2 1 1 A 108 108 ALA HA H 108 4.549 5.528 -0.979 1
1 1245 . 2 1 1 A 108 108 ALA C C 108 174.431 175.735 -1.304 1
1 1246 . 2 1 1 A 108 108 ALA CA C 108 51.113 50.117 0.996 1
1 1247 . 2 1 1 A 108 108 ALA CB C 108 23.724 23.454 0.270 1
1 1248 . 2 1 1 A 108 108 ALA N N 108 123.009 123.249 -0.240 1
1 1249 . 2 1 1 A 109 109 PHE H H 109 8.519 9.071 -0.552 1
1 1250 . 2 1 1 A 109 109 PHE HA H 109 5.481 5.031 0.450 1
1 1258 . 2 1 1 A 109 109 PHE C C 109 177.604 175.769 1.835 1
1 1259 . 2 1 1 A 109 109 PHE CA C 109 55.854 56.591 -0.737 1
1 1260 . 2 1 1 A 109 109 PHE CB C 109 41.019 40.850 0.169 1
1 1266 . 2 1 1 A 109 109 PHE N N 109 119.997 117.708 2.289 1
1 1267 . 2 1 1 A 110 110 THR H H 110 8.839 8.424 0.415 1
1 1268 . 2 1 1 A 110 110 THR HA H 110 4.103 4.574 -0.471 1
1 1273 . 2 1 1 A 110 110 THR C C 110 175.354 174.403 0.951 1
1 1274 . 2 1 1 A 110 110 THR CA C 110 61.763 61.370 0.393 1
1 1275 . 2 1 1 A 110 110 THR CB C 110 69.356 70.689 -1.333 1
1 1277 . 2 1 1 A 110 110 THR N N 110 112.067 116.470 -4.403 1
1 1278 . 2 1 1 A 111 111 LYS H H 111 6.542 8.479 -1.937 1
1 1279 . 2 1 1 A 111 111 LYS HA H 111 4.208 4.501 -0.293 1
1 1288 . 2 1 1 A 111 111 LYS C C 111 176.693 176.907 -0.214 1
1 1289 . 2 1 1 A 111 111 LYS CA C 111 56.383 55.498 0.885 1
1 1290 . 2 1 1 A 111 111 LYS CB C 111 33.447 33.610 -0.163 1
1 1294 . 2 1 1 A 111 111 LYS N N 111 116.497 121.126 -4.629 1
1 1295 . 2 1 1 A 112 112 LYS H H 112 8.230 8.775 -0.545 1
1 1296 . 2 1 1 A 112 112 LYS HA H 112 4.143 4.364 -0.221 1
1 1304 . 2 1 1 A 112 112 LYS C C 112 176.823 177.485 -0.662 1
1 1305 . 2 1 1 A 112 112 LYS CA C 112 57.229 56.205 1.024 1
1 1306 . 2 1 1 A 112 112 LYS CB C 112 33.528 32.512 1.016 1
1 1310 . 2 1 1 A 112 112 LYS N N 112 118.783 120.388 -1.605 1
1 1311 . 2 1 1 A 113 113 ALA H H 113 8.762 8.601 0.161 1
1 1312 . 2 1 1 A 113 113 ALA HA H 113 4.338 4.163 0.175 1
1 1316 . 2 1 1 A 113 113 ALA C C 113 177.688 177.292 0.396 1
1 1317 . 2 1 1 A 113 113 ALA CA C 113 52.417 55.474 -3.057 1
1 1318 . 2 1 1 A 113 113 ALA CB C 113 19.272 18.630 0.642 1
1 1319 . 2 1 1 A 113 113 ALA N N 113 124.432 126.602 -2.170 1
1 1320 . 2 1 1 A 114 114 SER H H 114 8.386 7.902 0.484 1
1 1321 . 2 1 1 A 114 114 SER HA H 114 4.487 4.904 -0.417 1
1 1324 . 2 1 1 A 114 114 SER C C 114 174.474 173.870 0.604 1
1 1325 . 2 1 1 A 114 114 SER CA C 114 58.063 57.039 1.024 1
1 1326 . 2 1 1 A 114 114 SER CB C 114 64.012 65.914 -1.902 1
1 1327 . 2 1 1 A 114 114 SER N N 114 115.798 111.820 3.978 1
1 1328 . 2 1 1 A 115 115 GLY H H 115 8.278 8.423 -0.145 1
1 1329 . 2 1 1 A 115 115 GLY HA2 H 115 4.172 4.154 0.018 1
1 1330 . 2 1 1 A 115 115 GLY HA3 H 115 4.094 4.155 -0.061 1
1 1331 . 2 1 1 A 115 115 GLY C C 115 171.799 174.038 -2.239 1
1 1332 . 2 1 1 A 115 115 GLY CA C 115 44.662 44.342 0.320 1
1 1333 . 2 1 1 A 115 115 GLY N N 115 110.600 110.301 0.299 1
1 1334 . 2 1 1 A 116 116 PRO HA H 116 4.472 4.435 0.037 1
1 1341 . 2 1 1 A 116 116 PRO C C 116 177.440 178.170 -0.730 1
1 1342 . 2 1 1 A 116 116 PRO CA C 116 63.275 64.219 -0.944 1
1 1343 . 2 1 1 A 116 116 PRO CB C 116 32.169 31.970 0.199 1
1 1346 . 2 1 1 A 117 117 SER HA H 117 4.505 4.210 0.295 1
1 1348 . 2 1 1 A 117 117 SER C C 117 174.652 176.078 -1.426 1
1 1349 . 2 1 1 A 117 117 SER CA C 117 58.393 61.482 -3.089 1
1 1350 . 2 1 1 A 117 117 SER CB C 117 63.899 62.891 1.008 1
1 1351 . 2 1 1 A 117 117 SER N N 117 116.140 114.728 1.412 1
1 1352 . 2 1 1 A 118 118 SER H H 118 8.314 7.746 0.568 1
1 1353 . 2 1 1 A 118 118 SER HA H 118 4.494 4.427 0.067 1
1 1355 . 2 1 1 A 118 118 SER C C 118 173.938 175.061 -1.123 1
1 1356 . 2 1 1 A 118 118 SER CA C 118 58.428 58.101 0.327 1
1 1357 . 2 1 1 A 118 118 SER CB C 118 63.929 62.975 0.954 1
1 1358 . 2 1 1 A 118 118 SER N N 118 117.760 110.706 7.054 1
1 6 . 3 1 1 A 4 4 GLY H H 4 8.507 8.770 -0.263 1
1 7 . 3 1 1 A 4 4 GLY HA2 H 4 4.513 4.358 0.155 1
1 8 . 3 1 1 A 4 4 GLY HA3 H 4 3.859 4.359 -0.500 1
1 9 . 3 1 1 A 4 4 GLY CA C 4 44.199 44.565 -0.366 1
1 10 . 3 1 1 A 4 4 GLY N N 4 116.148 109.121 7.027 1
1 11 . 3 1 1 A 6 6 SER HA H 6 4.472 4.210 0.262 1
1 13 . 3 1 1 A 6 6 SER C C 6 174.998 174.246 0.752 1
1 14 . 3 1 1 A 6 6 SER CA C 6 58.657 59.292 -0.635 1
1 15 . 3 1 1 A 6 6 SER CB C 6 64.025 60.809 3.216 1
1 16 . 3 1 1 A 7 7 GLY H H 7 8.399 8.107 0.292 1
1 17 . 3 1 1 A 7 7 GLY HA2 H 7 3.963 4.036 -0.073 1
1 18 . 3 1 1 A 7 7 GLY HA3 H 7 3.963 4.036 -0.073 1
1 19 . 3 1 1 A 7 7 GLY C C 7 173.942 173.557 0.385 1
1 20 . 3 1 1 A 7 7 GLY CA C 7 45.332 46.572 -1.240 1
1 21 . 3 1 1 A 7 7 GLY N N 7 110.856 107.090 3.766 1
1 22 . 3 1 1 A 8 8 VAL H H 8 7.919 8.092 -0.173 1
1 23 . 3 1 1 A 8 8 VAL HA H 8 4.101 3.882 0.219 1
1 31 . 3 1 1 A 8 8 VAL C C 8 175.827 175.301 0.526 1
1 32 . 3 1 1 A 8 8 VAL CA C 8 61.987 63.105 -1.118 1
1 33 . 3 1 1 A 8 8 VAL CB C 8 32.786 31.727 1.059 1
1 36 . 3 1 1 A 8 8 VAL N N 8 119.305 123.679 -4.374 1
1 37 . 3 1 1 A 9 9 ALA H H 9 8.367 8.657 -0.290 1
1 38 . 3 1 1 A 9 9 ALA HA H 9 4.329 5.094 -0.765 1
1 42 . 3 1 1 A 9 9 ALA C C 9 177.422 175.999 1.423 1
1 43 . 3 1 1 A 9 9 ALA CA C 9 52.399 50.589 1.810 1
1 44 . 3 1 1 A 9 9 ALA CB C 9 19.317 21.975 -2.658 1
1 45 . 3 1 1 A 9 9 ALA N N 9 128.175 130.090 -1.915 1
1 46 . 3 1 1 A 10 10 VAL H H 10 8.154 8.649 -0.495 1
1 47 . 3 1 1 A 10 10 VAL HA H 10 4.046 4.658 -0.612 1
1 55 . 3 1 1 A 10 10 VAL C C 10 176.076 175.849 0.227 1
1 56 . 3 1 1 A 10 10 VAL CA C 10 62.288 60.492 1.796 1
1 57 . 3 1 1 A 10 10 VAL CB C 10 32.786 33.434 -0.648 1
1 60 . 3 1 1 A 10 10 VAL N N 10 120.641 118.977 1.664 1
1 61 . 3 1 1 A 11 11 ILE H H 11 8.261 8.481 -0.220 1
1 62 . 3 1 1 A 11 11 ILE HA H 11 4.148 3.940 0.208 1
1 72 . 3 1 1 A 11 11 ILE C C 11 175.857 176.293 -0.436 1
1 73 . 3 1 1 A 11 11 ILE CA C 11 60.842 62.415 -1.573 1
1 74 . 3 1 1 A 11 11 ILE CB C 11 38.776 37.370 1.406 1
1 78 . 3 1 1 A 11 11 ILE N N 11 125.253 124.902 0.351 1
1 79 . 3 1 1 A 12 12 ASN H H 12 8.575 8.741 -0.166 1
1 80 . 3 1 1 A 12 12 ASN HA H 12 4.737 4.393 0.344 1
1 85 . 3 1 1 A 12 12 ASN C C 12 175.004 176.288 -1.284 1
1 86 . 3 1 1 A 12 12 ASN CA C 12 53.087 56.706 -3.619 1
1 87 . 3 1 1 A 12 12 ASN CB C 12 39.076 38.328 0.748 1
1 88 . 3 1 1 A 12 12 ASN N N 12 123.538 126.319 -2.781 1
1 90 . 3 1 1 A 13 13 SER H H 13 8.317 7.623 0.694 1
1 91 . 3 1 1 A 13 13 SER HA H 13 4.373 4.521 -0.148 1
1 94 . 3 1 1 A 13 13 SER C C 13 174.118 173.535 0.583 1
1 95 . 3 1 1 A 13 13 SER CA C 13 58.375 57.433 0.942 1
1 96 . 3 1 1 A 13 13 SER CB C 13 63.866 63.075 0.791 1
1 97 . 3 1 1 A 13 13 SER N N 13 116.982 113.792 3.190 1
1 98 . 3 1 1 A 14 14 ALA H H 14 8.317 8.325 -0.008 1
1 99 . 3 1 1 A 14 14 ALA HA H 14 4.285 4.744 -0.459 1
1 103 . 3 1 1 A 14 14 ALA C C 14 177.298 176.964 0.334 1
1 104 . 3 1 1 A 14 14 ALA CA C 14 52.628 51.481 1.147 1
1 105 . 3 1 1 A 14 14 ALA CB C 14 19.192 22.627 -3.435 1
1 106 . 3 1 1 A 14 14 ALA N N 14 125.606 129.584 -3.978 1
1 107 . 3 1 1 A 15 15 GLN H H 15 8.221 8.710 -0.489 1
1 108 . 3 1 1 A 15 15 GLN HA H 15 4.237 4.345 -0.108 1
1 115 . 3 1 1 A 15 15 GLN C C 15 174.741 175.413 -0.672 1
1 116 . 3 1 1 A 15 15 GLN CA C 15 55.925 56.541 -0.616 1
1 117 . 3 1 1 A 15 15 GLN CB C 15 29.990 29.540 0.450 1
1 119 . 3 1 1 A 15 15 GLN N N 15 119.248 118.833 0.415 1
1 121 . 3 1 1 A 16 16 ASP H H 16 7.898 7.719 0.179 1
1 122 . 3 1 1 A 16 16 ASP HA H 16 4.714 4.980 -0.266 1
1 125 . 3 1 1 A 16 16 ASP C C 16 175.219 173.753 1.466 1
1 126 . 3 1 1 A 16 16 ASP CA C 16 53.387 53.591 -0.204 1
1 127 . 3 1 1 A 16 16 ASP CB C 16 42.771 44.360 -1.589 1
1 128 . 3 1 1 A 16 16 ASP N N 16 119.674 117.955 1.719 1
1 129 . 3 1 1 A 17 17 ALA H H 17 8.256 8.387 -0.131 1
1 130 . 3 1 1 A 17 17 ALA HA H 17 4.549 4.774 -0.225 1
1 134 . 3 1 1 A 17 17 ALA C C 17 174.226 174.098 0.128 1
1 135 . 3 1 1 A 17 17 ALA CA C 17 50.514 49.991 0.523 1
1 136 . 3 1 1 A 17 17 ALA CB C 17 16.689 22.429 -5.740 1
1 137 . 3 1 1 A 17 17 ALA N N 17 123.830 121.338 2.492 1
1 138 . 3 1 1 A 18 18 PRO HA H 18 4.247 4.753 -0.506 1
1 145 . 3 1 1 A 18 18 PRO CA C 18 63.135 62.831 0.304 1
1 146 . 3 1 1 A 18 18 PRO CB C 18 31.866 31.975 -0.109 1
1 149 . 3 1 1 A 19 19 SER HA H 19 4.524 4.682 -0.158 1
1 152 . 3 1 1 A 19 19 SER C C 19 173.934 173.911 0.023 1
1 153 . 3 1 1 A 19 19 SER CA C 19 58.657 57.975 0.682 1
1 154 . 3 1 1 A 19 19 SER CB C 19 65.246 65.701 -0.455 1
1 155 . 3 1 1 A 20 20 GLU H H 20 7.589 7.638 -0.049 1
1 156 . 3 1 1 A 20 20 GLU HA H 20 4.604 4.927 -0.323 1
1 161 . 3 1 1 A 20 20 GLU C C 20 175.082 174.711 0.371 1
1 162 . 3 1 1 A 20 20 GLU CA C 20 54.762 54.972 -0.210 1
1 163 . 3 1 1 A 20 20 GLU CB C 20 33.405 32.800 0.605 1
1 165 . 3 1 1 A 20 20 GLU N N 20 121.739 120.839 0.900 1
1 166 . 3 1 1 A 21 21 ALA H H 21 8.564 8.836 -0.272 1
1 167 . 3 1 1 A 21 21 ALA HA H 21 4.995 4.949 0.046 1
1 171 . 3 1 1 A 21 21 ALA C C 21 175.731 175.551 0.180 1
1 172 . 3 1 1 A 21 21 ALA CA C 21 49.341 49.709 -0.368 1
1 173 . 3 1 1 A 21 21 ALA CB C 21 19.388 20.513 -1.125 1
1 174 . 3 1 1 A 21 21 ALA N N 21 125.054 128.539 -3.485 1
1 175 . 3 1 1 A 22 22 PRO HA H 22 4.529 4.896 -0.367 1
1 182 . 3 1 1 A 22 22 PRO C C 22 174.830 176.912 -2.082 1
1 183 . 3 1 1 A 22 22 PRO CA C 22 63.076 62.814 0.262 1
1 184 . 3 1 1 A 22 22 PRO CB C 22 32.294 31.858 0.436 1
1 187 . 3 1 1 A 23 23 THR H H 23 7.442 8.489 -1.047 1
1 188 . 3 1 1 A 23 23 THR HA H 23 4.663 4.543 0.120 1
1 193 . 3 1 1 A 23 23 THR C C 23 172.878 174.764 -1.886 1
1 194 . 3 1 1 A 23 23 THR CA C 23 59.961 61.806 -1.845 1
1 195 . 3 1 1 A 23 23 THR CB C 23 72.337 69.865 2.472 1
1 197 . 3 1 1 A 23 23 THR N N 23 109.039 118.625 -9.586 1
1 198 . 3 1 1 A 24 24 GLU H H 24 8.782 8.930 -0.148 1
1 199 . 3 1 1 A 24 24 GLU HA H 24 3.911 3.844 0.067 1
1 204 . 3 1 1 A 24 24 GLU C C 24 175.816 174.833 0.983 1
1 205 . 3 1 1 A 24 24 GLU CA C 24 56.172 57.226 -1.054 1
1 206 . 3 1 1 A 24 24 GLU CB C 24 27.761 27.966 -0.205 1
1 208 . 3 1 1 A 24 24 GLU N N 24 115.227 119.130 -3.903 1
1 209 . 3 1 1 A 25 25 VAL H H 25 8.030 7.910 0.120 1
1 210 . 3 1 1 A 25 25 VAL HA H 25 4.891 4.766 0.125 1
1 218 . 3 1 1 A 25 25 VAL C C 25 177.065 175.292 1.773 1
1 219 . 3 1 1 A 25 25 VAL CA C 25 62.446 60.800 1.646 1
1 220 . 3 1 1 A 25 25 VAL CB C 25 31.471 34.268 -2.797 1
1 223 . 3 1 1 A 25 25 VAL N N 25 119.529 118.610 0.919 1
1 224 . 3 1 1 A 26 26 GLY H H 26 8.796 8.422 0.374 1
1 225 . 3 1 1 A 26 26 GLY HA2 H 26 4.420 4.392 0.028 1
1 226 . 3 1 1 A 26 26 GLY HA3 H 26 3.646 4.398 -0.752 1
1 227 . 3 1 1 A 26 26 GLY C C 26 170.874 172.920 -2.046 1
1 228 . 3 1 1 A 26 26 GLY CA C 26 44.468 45.571 -1.103 1
1 229 . 3 1 1 A 26 26 GLY N N 26 114.560 113.230 1.330 1
1 230 . 3 1 1 A 27 27 VAL H H 27 8.332 8.761 -0.429 1
1 231 . 3 1 1 A 27 27 VAL HA H 27 5.508 5.041 0.467 1
1 239 . 3 1 1 A 27 27 VAL C C 27 175.652 173.736 1.916 1
1 240 . 3 1 1 A 27 27 VAL CA C 27 58.279 59.956 -1.677 1
1 241 . 3 1 1 A 27 27 VAL CB C 27 36.230 35.178 1.052 1
1 244 . 3 1 1 A 27 27 VAL N N 27 110.792 115.660 -4.868 1
1 245 . 3 1 1 A 28 28 LYS H H 28 9.143 9.583 -0.440 1
1 246 . 3 1 1 A 28 28 LYS HA H 28 4.550 5.042 -0.492 1
1 254 . 3 1 1 A 28 28 LYS C C 28 175.150 175.091 0.059 1
1 255 . 3 1 1 A 28 28 LYS CA C 28 55.396 55.076 0.320 1
1 256 . 3 1 1 A 28 28 LYS CB C 28 35.134 34.612 0.522 1
1 260 . 3 1 1 A 28 28 LYS N N 28 123.314 126.193 -2.879 1
1 261 . 3 1 1 A 29 29 VAL H H 29 9.190 8.903 0.287 1
1 262 . 3 1 1 A 29 29 VAL HA H 29 3.939 4.359 -0.420 1
1 270 . 3 1 1 A 29 29 VAL C C 29 176.162 175.463 0.699 1
1 271 . 3 1 1 A 29 29 VAL CA C 29 64.332 62.394 1.938 1
1 272 . 3 1 1 A 29 29 VAL CB C 29 31.417 31.519 -0.102 1
1 275 . 3 1 1 A 29 29 VAL N N 29 127.176 126.815 0.361 1
1 276 . 3 1 1 A 30 30 LEU H H 30 8.108 8.681 -0.573 1
1 277 . 3 1 1 A 30 30 LEU HA H 30 4.375 4.232 0.143 1
1 287 . 3 1 1 A 30 30 LEU C C 30 177.477 177.012 0.465 1
1 288 . 3 1 1 A 30 30 LEU CA C 30 55.886 56.576 -0.690 1
1 289 . 3 1 1 A 30 30 LEU CB C 30 42.498 42.572 -0.074 1
1 293 . 3 1 1 A 30 30 LEU N N 30 128.053 129.717 -1.664 1
1 294 . 3 1 1 A 31 31 SER H H 31 8.152 8.018 0.134 1
1 295 . 3 1 1 A 31 31 SER HA H 31 4.748 4.852 -0.104 1
1 298 . 3 1 1 A 31 31 SER C C 31 173.427 173.745 -0.318 1
1 299 . 3 1 1 A 31 31 SER CA C 31 57.811 57.325 0.486 1
1 300 . 3 1 1 A 31 31 SER CB C 31 64.517 67.041 -2.524 1
1 301 . 3 1 1 A 31 31 SER N N 31 112.798 112.815 -0.017 1
1 302 . 3 1 1 A 32 32 SER H H 32 8.450 8.833 -0.383 1
1 303 . 3 1 1 A 32 32 SER HA H 32 4.604 4.244 0.360 1
1 306 . 3 1 1 A 32 32 SER C C 32 172.423 175.225 -2.802 1
1 307 . 3 1 1 A 32 32 SER CA C 32 59.414 61.701 -2.287 1
1 308 . 3 1 1 A 32 32 SER CB C 32 63.903 62.791 1.112 1
1 309 . 3 1 1 A 32 32 SER N N 32 112.687 118.181 -5.494 1
1 310 . 3 1 1 A 33 33 SER H H 33 8.355 7.977 0.378 1
1 311 . 3 1 1 A 33 33 SER HA H 33 4.759 4.636 0.123 1
1 314 . 3 1 1 A 33 33 SER C C 33 173.940 172.092 1.848 1
1 315 . 3 1 1 A 33 33 SER CA C 33 57.229 57.697 -0.468 1
1 316 . 3 1 1 A 33 33 SER CB C 33 66.786 64.306 2.480 1
1 317 . 3 1 1 A 33 33 SER N N 33 109.767 113.324 -3.557 1
1 318 . 3 1 1 A 34 34 GLU H H 34 6.978 7.967 -0.989 1
1 319 . 3 1 1 A 34 34 GLU HA H 34 5.487 5.070 0.417 1
1 324 . 3 1 1 A 34 34 GLU C C 34 175.294 174.691 0.603 1
1 325 . 3 1 1 A 34 34 GLU CA C 34 55.130 55.120 0.010 1
1 326 . 3 1 1 A 34 34 GLU CB C 34 35.711 32.872 2.839 1
1 328 . 3 1 1 A 34 34 GLU N N 34 119.009 117.867 1.142 1
1 329 . 3 1 1 A 35 35 ILE H H 35 8.190 8.661 -0.471 1
1 330 . 3 1 1 A 35 35 ILE HA H 35 4.477 4.929 -0.452 1
1 340 . 3 1 1 A 35 35 ILE C C 35 173.681 173.805 -0.124 1
1 341 . 3 1 1 A 35 35 ILE CA C 35 60.203 60.146 0.057 1
1 342 . 3 1 1 A 35 35 ILE CB C 35 43.791 41.529 2.262 1
1 346 . 3 1 1 A 35 35 ILE N N 35 120.691 124.091 -3.400 1
1 347 . 3 1 1 A 36 36 SER H H 36 9.269 9.087 0.182 1
1 348 . 3 1 1 A 36 36 SER HA H 36 5.300 4.991 0.309 1
1 351 . 3 1 1 A 36 36 SER C C 36 172.945 173.345 -0.400 1
1 352 . 3 1 1 A 36 36 SER CA C 36 56.549 57.370 -0.821 1
1 353 . 3 1 1 A 36 36 SER CB C 36 64.591 64.067 0.524 1
1 354 . 3 1 1 A 36 36 SER N N 36 120.471 122.740 -2.269 1
1 355 . 3 1 1 A 37 37 VAL H H 37 9.000 8.624 0.376 1
1 356 . 3 1 1 A 37 37 VAL HA H 37 4.902 4.426 0.476 1
1 364 . 3 1 1 A 37 37 VAL C C 37 173.530 175.121 -1.591 1
1 365 . 3 1 1 A 37 37 VAL CA C 37 60.261 61.496 -1.235 1
1 366 . 3 1 1 A 37 37 VAL CB C 37 35.001 33.105 1.896 1
1 369 . 3 1 1 A 37 37 VAL N N 37 127.009 126.498 0.511 1
1 370 . 3 1 1 A 38 38 HIS H H 38 8.779 9.091 -0.312 1
1 371 . 3 1 1 A 38 38 HIS HA H 38 5.238 5.144 0.094 1
1 376 . 3 1 1 A 38 38 HIS C C 38 173.545 175.006 -1.461 1
1 377 . 3 1 1 A 38 38 HIS CA C 38 54.991 53.935 1.056 1
1 378 . 3 1 1 A 38 38 HIS CB C 38 32.564 31.774 0.790 1
1 381 . 3 1 1 A 38 38 HIS N N 38 123.115 125.258 -2.143 1
1 382 . 3 1 1 A 39 39 TRP H H 39 7.682 8.461 -0.779 1
1 383 . 3 1 1 A 39 39 TRP HA H 39 5.044 5.518 -0.474 1
1 392 . 3 1 1 A 39 39 TRP C C 39 173.585 172.849 0.736 1
1 393 . 3 1 1 A 39 39 TRP CA C 39 57.170 54.903 2.267 1
1 394 . 3 1 1 A 39 39 TRP CB C 39 31.554 32.364 -0.810 1
1 400 . 3 1 1 A 39 39 TRP N N 39 116.447 119.840 -3.393 1
1 402 . 3 1 1 A 40 40 GLU H H 40 8.522 9.141 -0.619 1
1 403 . 3 1 1 A 40 40 GLU HA H 40 4.619 4.809 -0.190 1
1 408 . 3 1 1 A 40 40 GLU C C 40 177.186 176.943 0.243 1
1 409 . 3 1 1 A 40 40 GLU CA C 40 54.356 54.995 -0.639 1
1 410 . 3 1 1 A 40 40 GLU CB C 40 30.344 31.459 -1.115 1
1 412 . 3 1 1 A 40 40 GLU N N 40 117.208 121.090 -3.882 1
1 413 . 3 1 1 A 41 41 HIS H H 41 8.477 8.846 -0.369 1
1 414 . 3 1 1 A 41 41 HIS HA H 41 4.748 4.756 -0.008 1
1 419 . 3 1 1 A 41 41 HIS C C 41 177.474 175.871 1.603 1
1 420 . 3 1 1 A 41 41 HIS CA C 41 54.779 57.103 -2.324 1
1 421 . 3 1 1 A 41 41 HIS CB C 41 31.140 30.387 0.753 1
1 424 . 3 1 1 A 41 41 HIS N N 41 119.083 124.901 -5.818 1
1 425 . 3 1 1 A 42 42 VAL H H 42 7.680 8.727 -1.047 1
1 426 . 3 1 1 A 42 42 VAL HA H 42 4.428 4.352 0.076 1
1 434 . 3 1 1 A 42 42 VAL C C 42 175.401 177.321 -1.920 1
1 435 . 3 1 1 A 42 42 VAL CA C 42 60.878 61.795 -0.917 1
1 436 . 3 1 1 A 42 42 VAL CB C 42 32.216 32.946 -0.730 1
1 439 . 3 1 1 A 42 42 VAL N N 42 114.975 123.494 -8.519 1
1 440 . 3 1 1 A 43 43 LEU H H 43 9.107 8.794 0.313 1
1 441 . 3 1 1 A 43 43 LEU HA H 43 4.303 4.139 0.164 1
1 451 . 3 1 1 A 43 43 LEU C C 43 178.603 177.181 1.422 1
1 452 . 3 1 1 A 43 43 LEU CA C 43 55.872 57.362 -1.490 1
1 453 . 3 1 1 A 43 43 LEU CB C 43 41.684 41.532 0.152 1
1 457 . 3 1 1 A 43 43 LEU N N 43 123.877 123.672 0.205 1
1 458 . 3 1 1 A 44 44 GLU H H 44 7.988 7.751 0.237 1
1 459 . 3 1 1 A 44 44 GLU HA H 44 4.152 4.508 -0.356 1
1 464 . 3 1 1 A 44 44 GLU C C 44 177.236 176.187 1.049 1
1 465 . 3 1 1 A 44 44 GLU CA C 44 57.282 55.762 1.520 1
1 466 . 3 1 1 A 44 44 GLU CB C 44 31.033 29.205 1.828 1
1 468 . 3 1 1 A 44 44 GLU N N 44 119.655 121.282 -1.627 1
1 469 . 3 1 1 A 45 45 LYS H H 45 8.596 8.608 -0.012 1
1 470 . 3 1 1 A 45 45 LYS HA H 45 4.295 4.229 0.066 1
1 479 . 3 1 1 A 45 45 LYS C C 45 177.258 178.090 -0.832 1
1 480 . 3 1 1 A 45 45 LYS CA C 45 57.170 57.526 -0.356 1
1 481 . 3 1 1 A 45 45 LYS CB C 45 32.204 31.924 0.280 1
1 485 . 3 1 1 A 45 45 LYS N N 45 120.518 125.304 -4.786 1
1 486 . 3 1 1 A 46 46 ILE H H 46 7.212 7.691 -0.479 1
1 487 . 3 1 1 A 46 46 ILE HA H 46 4.371 4.130 0.241 1
1 497 . 3 1 1 A 46 46 ILE C C 46 175.191 176.319 -1.128 1
1 498 . 3 1 1 A 46 46 ILE CA C 46 60.666 63.308 -2.642 1
1 499 . 3 1 1 A 46 46 ILE CB C 46 37.531 37.516 0.015 1
1 503 . 3 1 1 A 46 46 ILE N N 46 111.434 114.205 -2.771 1
1 504 . 3 1 1 A 47 47 VAL H H 47 7.378 6.910 0.468 1
1 505 . 3 1 1 A 47 47 VAL HA H 47 3.658 3.856 -0.198 1
1 513 . 3 1 1 A 47 47 VAL C C 47 175.157 175.794 -0.637 1
1 514 . 3 1 1 A 47 47 VAL CA C 47 63.521 61.974 1.547 1
1 515 . 3 1 1 A 47 47 VAL CB C 47 33.570 32.134 1.436 1
1 518 . 3 1 1 A 47 47 VAL N N 47 122.780 122.242 0.538 1
1 519 . 3 1 1 A 48 48 GLU H H 48 8.733 8.819 -0.086 1
1 520 . 3 1 1 A 48 48 GLU HA H 48 4.615 4.181 0.434 1
1 525 . 3 1 1 A 48 48 GLU C C 48 176.241 176.511 -0.270 1
1 526 . 3 1 1 A 48 48 GLU CA C 48 56.701 58.638 -1.937 1
1 527 . 3 1 1 A 48 48 GLU CB C 48 32.966 30.754 2.212 1
1 529 . 3 1 1 A 48 48 GLU N N 48 124.835 125.008 -0.173 1
1 530 . 3 1 1 A 49 49 SER H H 49 8.130 7.126 1.004 1
1 531 . 3 1 1 A 49 49 SER HA H 49 4.726 4.589 0.137 1
1 534 . 3 1 1 A 49 49 SER C C 49 171.371 171.172 0.199 1
1 535 . 3 1 1 A 49 49 SER CA C 49 57.440 57.361 0.079 1
1 536 . 3 1 1 A 49 49 SER CB C 49 66.073 65.231 0.842 1
1 537 . 3 1 1 A 49 49 SER N N 49 114.231 110.463 3.768 1
1 538 . 3 1 1 A 50 50 TYR H H 50 8.681 8.347 0.334 1
1 539 . 3 1 1 A 50 50 TYR HA H 50 5.057 4.957 0.100 1
1 546 . 3 1 1 A 50 50 TYR C C 50 174.034 174.631 -0.597 1
1 547 . 3 1 1 A 50 50 TYR CA C 50 57.434 56.279 1.155 1
1 548 . 3 1 1 A 50 50 TYR CB C 50 41.437 40.812 0.625 1
1 553 . 3 1 1 A 50 50 TYR N N 50 115.301 119.306 -4.005 1
1 554 . 3 1 1 A 51 51 GLN H H 51 9.200 8.826 0.374 1
1 555 . 3 1 1 A 51 51 GLN HA H 51 5.144 4.577 0.567 1
1 562 . 3 1 1 A 51 51 GLN C C 51 173.878 174.897 -1.019 1
1 563 . 3 1 1 A 51 51 GLN CA C 51 53.669 55.209 -1.540 1
1 564 . 3 1 1 A 51 51 GLN CB C 51 32.783 30.195 2.588 1
1 566 . 3 1 1 A 51 51 GLN N N 51 119.842 123.835 -3.993 1
1 568 . 3 1 1 A 52 52 ILE H H 52 9.441 9.429 0.012 1
1 569 . 3 1 1 A 52 52 ILE HA H 52 4.803 4.742 0.061 1
1 579 . 3 1 1 A 52 52 ILE C C 52 174.953 175.434 -0.481 1
1 580 . 3 1 1 A 52 52 ILE CA C 52 61.054 60.528 0.526 1
1 581 . 3 1 1 A 52 52 ILE CB C 52 39.108 37.483 1.625 1
1 585 . 3 1 1 A 52 52 ILE N N 52 128.547 129.378 -0.831 1
1 586 . 3 1 1 A 53 53 ARG H H 53 9.169 8.438 0.731 1
1 587 . 3 1 1 A 53 53 ARG HA H 53 5.628 5.220 0.408 1
1 594 . 3 1 1 A 53 53 ARG C C 53 174.869 175.954 -1.085 1
1 595 . 3 1 1 A 53 53 ARG CA C 53 54.479 56.326 -1.847 1
1 596 . 3 1 1 A 53 53 ARG CB C 53 33.942 31.750 2.192 1
1 599 . 3 1 1 A 53 53 ARG N N 53 127.779 126.994 0.785 1
1 600 . 3 1 1 A 54 54 TYR H H 54 8.671 8.334 0.337 1
1 601 . 3 1 1 A 54 54 TYR HA H 54 6.310 5.739 0.571 1
1 608 . 3 1 1 A 54 54 TYR C C 54 173.965 173.942 0.023 1
1 609 . 3 1 1 A 54 54 TYR CA C 54 55.291 56.622 -1.331 1
1 610 . 3 1 1 A 54 54 TYR CB C 54 41.930 41.424 0.506 1
1 615 . 3 1 1 A 54 54 TYR N N 54 117.929 118.559 -0.630 1
1 616 . 3 1 1 A 55 55 TRP H H 55 8.928 8.868 0.060 1
1 617 . 3 1 1 A 55 55 TRP HA H 55 5.054 5.379 -0.325 1
1 626 . 3 1 1 A 55 55 TRP C C 55 172.613 173.632 -1.019 1
1 627 . 3 1 1 A 55 55 TRP CA C 55 56.577 55.717 0.860 1
1 628 . 3 1 1 A 55 55 TRP CB C 55 32.118 31.369 0.749 1
1 634 . 3 1 1 A 55 55 TRP N N 55 121.459 119.345 2.114 1
1 636 . 3 1 1 A 56 56 ALA H H 56 8.870 8.357 0.513 1
1 637 . 3 1 1 A 56 56 ALA HA H 56 4.053 4.058 -0.005 1
1 641 . 3 1 1 A 56 56 ALA C C 56 179.868 177.857 2.011 1
1 642 . 3 1 1 A 56 56 ALA CA C 56 50.478 51.912 -1.434 1
1 643 . 3 1 1 A 56 56 ALA CB C 56 19.108 18.915 0.193 1
1 644 . 3 1 1 A 56 56 ALA N N 56 124.214 123.248 0.966 1
1 645 . 3 1 1 A 57 57 ALA H H 57 8.147 8.458 -0.311 1
1 646 . 3 1 1 A 57 57 ALA HA H 57 3.913 4.140 -0.227 1
1 650 . 3 1 1 A 57 57 ALA C C 57 178.479 180.023 -1.544 1
1 651 . 3 1 1 A 57 57 ALA CA C 57 54.832 55.739 -0.907 1
1 652 . 3 1 1 A 57 57 ALA CB C 57 19.317 18.222 1.095 1
1 653 . 3 1 1 A 57 57 ALA N N 57 120.999 124.751 -3.752 1
1 654 . 3 1 1 A 58 58 HIS H H 58 7.274 8.165 -0.891 1
1 655 . 3 1 1 A 58 58 HIS HA H 58 4.605 4.312 0.293 1
1 660 . 3 1 1 A 58 58 HIS C C 58 175.349 175.661 -0.312 1
1 661 . 3 1 1 A 58 58 HIS CA C 58 56.066 59.228 -3.162 1
1 662 . 3 1 1 A 58 58 HIS CB C 58 29.780 28.846 0.934 1
1 665 . 3 1 1 A 58 58 HIS N N 58 109.961 115.013 -5.052 1
1 666 . 3 1 1 A 59 59 ASP H H 59 7.945 6.982 0.963 1
1 667 . 3 1 1 A 59 59 ASP HA H 59 4.869 4.605 0.264 1
1 670 . 3 1 1 A 59 59 ASP C C 59 175.895 175.625 0.270 1
1 671 . 3 1 1 A 59 59 ASP CA C 59 53.898 54.682 -0.784 1
1 672 . 3 1 1 A 59 59 ASP CB C 59 42.385 41.380 1.005 1
1 673 . 3 1 1 A 59 59 ASP N N 59 123.825 120.401 3.424 1
1 674 . 3 1 1 A 60 60 LYS H H 60 8.147 8.585 -0.438 1
1 675 . 3 1 1 A 60 60 LYS HA H 60 4.197 4.592 -0.395 1
1 682 . 3 1 1 A 60 60 LYS C C 60 177.212 176.949 0.263 1
1 683 . 3 1 1 A 60 60 LYS CA C 60 56.121 54.505 1.616 1
1 684 . 3 1 1 A 60 60 LYS CB C 60 32.951 34.529 -1.578 1
1 688 . 3 1 1 A 60 60 LYS N N 60 117.803 120.016 -2.213 1
1 689 . 3 1 1 A 61 61 GLU H H 61 8.381 8.571 -0.190 1
1 690 . 3 1 1 A 61 61 GLU HA H 61 2.603 2.507 0.096 1
1 695 . 3 1 1 A 61 61 GLU C C 61 178.058 178.230 -0.172 1
1 696 . 3 1 1 A 61 61 GLU CA C 61 58.622 58.619 0.003 1
1 697 . 3 1 1 A 61 61 GLU CB C 61 28.709 28.540 0.169 1
1 699 . 3 1 1 A 61 61 GLU N N 61 122.310 121.576 0.734 1
1 700 . 3 1 1 A 62 62 GLU H H 62 8.470 8.397 0.073 1
1 701 . 3 1 1 A 62 62 GLU HA H 62 3.919 3.943 -0.024 1
1 706 . 3 1 1 A 62 62 GLU C C 62 176.293 177.528 -1.235 1
1 707 . 3 1 1 A 62 62 GLU CA C 62 57.899 58.905 -1.006 1
1 708 . 3 1 1 A 62 62 GLU CB C 62 28.796 29.120 -0.324 1
1 710 . 3 1 1 A 62 62 GLU N N 62 117.600 118.470 -0.870 1
1 711 . 3 1 1 A 63 63 ALA H H 63 7.760 7.450 0.310 1
1 712 . 3 1 1 A 63 63 ALA HA H 63 4.443 4.299 0.144 1
1 716 . 3 1 1 A 63 63 ALA C C 63 176.867 177.189 -0.322 1
1 717 . 3 1 1 A 63 63 ALA CA C 63 51.095 51.737 -0.642 1
1 718 . 3 1 1 A 63 63 ALA CB C 63 18.845 18.968 -0.123 1
1 719 . 3 1 1 A 63 63 ALA N N 63 123.067 119.967 3.100 1
1 720 . 3 1 1 A 64 64 ALA H H 64 7.389 7.257 0.132 1
1 721 . 3 1 1 A 64 64 ALA HA H 64 4.175 4.263 -0.088 1
1 725 . 3 1 1 A 64 64 ALA C C 64 177.784 177.326 0.458 1
1 726 . 3 1 1 A 64 64 ALA CA C 64 53.099 51.565 1.534 1
1 727 . 3 1 1 A 64 64 ALA CB C 64 19.784 19.229 0.555 1
1 728 . 3 1 1 A 64 64 ALA N N 64 121.409 121.295 0.114 1
1 729 . 3 1 1 A 65 65 ASN H H 65 8.152 7.897 0.255 1
1 730 . 3 1 1 A 65 65 ASN HA H 65 4.714 4.525 0.189 1
1 735 . 3 1 1 A 65 65 ASN C C 65 173.533 175.097 -1.564 1
1 736 . 3 1 1 A 65 65 ASN CA C 65 52.523 53.988 -1.465 1
1 737 . 3 1 1 A 65 65 ASN CB C 65 40.739 38.643 2.096 1
1 738 . 3 1 1 A 65 65 ASN N N 65 119.620 120.006 -0.386 1
1 740 . 3 1 1 A 66 66 ARG H H 66 8.366 8.768 -0.402 1
1 741 . 3 1 1 A 66 66 ARG HA H 66 5.760 5.051 0.709 1
1 748 . 3 1 1 A 66 66 ARG C C 66 175.946 175.215 0.731 1
1 749 . 3 1 1 A 66 66 ARG CA C 66 54.902 54.671 0.231 1
1 750 . 3 1 1 A 66 66 ARG CB C 66 34.116 32.349 1.767 1
1 753 . 3 1 1 A 66 66 ARG N N 66 116.911 122.039 -5.128 1
1 754 . 3 1 1 A 67 67 VAL H H 67 9.057 8.843 0.214 1
1 755 . 3 1 1 A 67 67 VAL HA H 67 4.520 4.658 -0.138 1
1 763 . 3 1 1 A 67 67 VAL C C 67 173.731 173.962 -0.231 1
1 764 . 3 1 1 A 67 67 VAL CA C 67 60.845 61.432 -0.587 1
1 765 . 3 1 1 A 67 67 VAL CB C 67 35.917 33.656 2.261 1
1 768 . 3 1 1 A 67 67 VAL N N 67 122.047 124.473 -2.426 1
1 769 . 3 1 1 A 68 68 GLN H H 68 8.741 9.137 -0.396 1
1 770 . 3 1 1 A 68 68 GLN HA H 68 5.543 5.185 0.358 1
1 777 . 3 1 1 A 68 68 GLN C C 68 175.452 175.094 0.358 1
1 778 . 3 1 1 A 68 68 GLN CA C 68 54.462 54.613 -0.151 1
1 779 . 3 1 1 A 68 68 GLN CB C 68 32.087 31.848 0.239 1
1 781 . 3 1 1 A 68 68 GLN N N 68 124.250 128.918 -4.668 1
1 783 . 3 1 1 A 69 69 VAL H H 69 8.912 8.472 0.440 1
1 784 . 3 1 1 A 69 69 VAL HA H 69 5.012 4.992 0.020 1
1 792 . 3 1 1 A 69 69 VAL C C 69 175.870 175.239 0.631 1
1 793 . 3 1 1 A 69 69 VAL CA C 69 59.045 59.086 -0.041 1
1 794 . 3 1 1 A 69 69 VAL CB C 69 35.106 35.466 -0.360 1
1 797 . 3 1 1 A 69 69 VAL N N 69 117.045 121.134 -4.089 1
1 798 . 3 1 1 A 70 70 THR H H 70 8.491 8.386 0.105 1
1 799 . 3 1 1 A 70 70 THR HA H 70 4.585 4.397 0.188 1
1 804 . 3 1 1 A 70 70 THR C C 70 175.015 176.118 -1.103 1
1 805 . 3 1 1 A 70 70 THR CA C 70 62.917 62.558 0.359 1
1 806 . 3 1 1 A 70 70 THR CB C 70 70.767 69.969 0.798 1
1 808 . 3 1 1 A 70 70 THR N N 70 111.495 114.211 -2.716 1
1 809 . 3 1 1 A 71 71 SER H H 71 7.522 9.086 -1.564 1
1 810 . 3 1 1 A 71 71 SER HA H 71 4.148 4.512 -0.364 1
1 813 . 3 1 1 A 71 71 SER C C 71 174.340 176.308 -1.968 1
1 814 . 3 1 1 A 71 71 SER CA C 71 59.749 61.617 -1.868 1
1 815 . 3 1 1 A 71 71 SER CB C 71 63.060 62.885 0.175 1
1 816 . 3 1 1 A 71 71 SER N N 71 111.553 118.181 -6.628 1
1 817 . 3 1 1 A 72 72 GLN H H 72 7.718 7.955 -0.237 1
1 818 . 3 1 1 A 72 72 GLN HA H 72 4.428 4.443 -0.015 1
1 823 . 3 1 1 A 72 72 GLN C C 72 176.456 176.967 -0.511 1
1 824 . 3 1 1 A 72 72 GLN CA C 72 56.630 57.878 -1.248 1
1 825 . 3 1 1 A 72 72 GLN CB C 72 29.373 29.043 0.330 1
1 827 . 3 1 1 A 72 72 GLN N N 72 117.502 119.252 -1.750 1
1 829 . 3 1 1 A 73 73 GLU H H 73 7.650 7.790 -0.140 1
1 830 . 3 1 1 A 73 73 GLU HA H 73 4.408 4.568 -0.160 1
1 835 . 3 1 1 A 73 73 GLU C C 73 176.484 176.295 0.189 1
1 836 . 3 1 1 A 73 73 GLU CA C 73 56.472 56.318 0.154 1
1 837 . 3 1 1 A 73 73 GLU CB C 73 31.962 30.297 1.665 1
1 839 . 3 1 1 A 73 73 GLU N N 73 119.175 119.642 -0.467 1
1 840 . 3 1 1 A 74 74 TYR H H 74 8.615 8.971 -0.356 1
1 841 . 3 1 1 A 74 74 TYR HA H 74 3.427 4.029 -0.602 1
1 848 . 3 1 1 A 74 74 TYR C C 74 171.853 174.990 -3.137 1
1 849 . 3 1 1 A 74 74 TYR CA C 74 56.565 59.716 -3.151 1
1 850 . 3 1 1 A 74 74 TYR CB C 74 39.410 37.720 1.690 1
1 855 . 3 1 1 A 74 74 TYR N N 74 118.997 124.631 -5.634 1
1 856 . 3 1 1 A 75 75 SER H H 75 6.801 7.727 -0.926 1
1 857 . 3 1 1 A 75 75 SER HA H 75 5.001 4.309 0.692 1
1 860 . 3 1 1 A 75 75 SER C C 75 172.976 172.255 0.721 1
1 861 . 3 1 1 A 75 75 SER CA C 75 56.154 56.675 -0.521 1
1 862 . 3 1 1 A 75 75 SER CB C 75 66.541 65.835 0.706 1
1 863 . 3 1 1 A 75 75 SER N N 75 109.803 110.793 -0.990 1
1 864 . 3 1 1 A 76 76 ALA H H 76 8.897 9.243 -0.346 1
1 865 . 3 1 1 A 76 76 ALA HA H 76 4.604 5.275 -0.671 1
1 869 . 3 1 1 A 76 76 ALA C C 76 174.777 175.676 -0.899 1
1 870 . 3 1 1 A 76 76 ALA CA C 76 51.359 50.490 0.869 1
1 871 . 3 1 1 A 76 76 ALA CB C 76 23.140 23.396 -0.256 1
1 872 . 3 1 1 A 76 76 ALA N N 76 120.416 123.936 -3.520 1
1 873 . 3 1 1 A 77 77 ARG H H 77 8.529 8.640 -0.111 1
1 874 . 3 1 1 A 77 77 ARG HA H 77 4.681 4.875 -0.194 1
1 881 . 3 1 1 A 77 77 ARG C C 77 174.533 174.130 0.403 1
1 882 . 3 1 1 A 77 77 ARG CA C 77 54.973 54.834 0.139 1
1 883 . 3 1 1 A 77 77 ARG CB C 77 31.839 33.874 -2.035 1
1 886 . 3 1 1 A 77 77 ARG N N 77 121.172 118.917 2.255 1
1 887 . 3 1 1 A 78 78 LEU H H 78 9.089 9.162 -0.073 1
1 888 . 3 1 1 A 78 78 LEU HA H 78 4.396 4.926 -0.530 1
1 898 . 3 1 1 A 78 78 LEU C C 78 175.107 175.583 -0.476 1
1 899 . 3 1 1 A 78 78 LEU CA C 78 53.333 53.066 0.267 1
1 900 . 3 1 1 A 78 78 LEU CB C 78 41.272 44.134 -2.862 1
1 904 . 3 1 1 A 78 78 LEU N N 78 126.698 128.332 -1.634 1
1 905 . 3 1 1 A 79 79 GLU H H 79 8.239 8.644 -0.405 1
1 906 . 3 1 1 A 79 79 GLU HA H 79 5.034 5.019 0.015 1
1 911 . 3 1 1 A 79 79 GLU C C 79 174.792 175.497 -0.705 1
1 912 . 3 1 1 A 79 79 GLU CA C 79 54.056 54.550 -0.494 1
1 913 . 3 1 1 A 79 79 GLU CB C 79 33.692 33.064 0.628 1
1 915 . 3 1 1 A 79 79 GLU N N 79 119.147 121.420 -2.273 1
1 916 . 3 1 1 A 80 80 ASN H H 80 9.068 8.701 0.367 1
1 917 . 3 1 1 A 80 80 ASN HA H 80 4.303 4.267 0.036 1
1 922 . 3 1 1 A 80 80 ASN C C 80 174.823 174.478 0.345 1
1 923 . 3 1 1 A 80 80 ASN CA C 80 54.462 54.135 0.327 1
1 924 . 3 1 1 A 80 80 ASN CB C 80 37.359 37.125 0.234 1
1 925 . 3 1 1 A 80 80 ASN N N 80 113.324 116.372 -3.048 1
1 927 . 3 1 1 A 81 81 LEU H H 81 8.671 7.597 1.074 1
1 928 . 3 1 1 A 81 81 LEU HA H 81 4.252 4.778 -0.526 1
1 938 . 3 1 1 A 81 81 LEU C C 81 175.804 175.885 -0.081 1
1 939 . 3 1 1 A 81 81 LEU CA C 81 53.841 53.249 0.592 1
1 940 . 3 1 1 A 81 81 LEU CB C 81 40.891 43.159 -2.268 1
1 944 . 3 1 1 A 81 81 LEU N N 81 117.886 118.622 -0.736 1
1 945 . 3 1 1 A 82 82 LEU H H 82 8.448 8.579 -0.131 1
1 946 . 3 1 1 A 82 82 LEU HA H 82 4.600 4.862 -0.262 1
1 956 . 3 1 1 A 82 82 LEU C C 82 175.149 174.954 0.195 1
1 957 . 3 1 1 A 82 82 LEU CA C 82 52.629 52.426 0.203 1
1 958 . 3 1 1 A 82 82 LEU CB C 82 42.449 41.612 0.837 1
1 962 . 3 1 1 A 82 82 LEU N N 82 121.118 122.329 -1.211 1
1 963 . 3 1 1 A 83 83 PRO HA H 83 5.237 4.419 0.818 1
1 970 . 3 1 1 A 83 83 PRO C C 83 178.145 177.325 0.820 1
1 971 . 3 1 1 A 83 83 PRO CA C 83 62.472 63.292 -0.820 1
1 972 . 3 1 1 A 83 83 PRO CB C 83 33.232 32.266 0.966 1
1 975 . 3 1 1 A 84 84 ASP H H 84 7.943 9.255 -1.312 1
1 976 . 3 1 1 A 84 84 ASP HA H 84 4.208 4.305 -0.097 1
1 979 . 3 1 1 A 84 84 ASP C C 84 174.476 174.722 -0.246 1
1 980 . 3 1 1 A 84 84 ASP CA C 84 54.250 55.040 -0.790 1
1 981 . 3 1 1 A 84 84 ASP CB C 84 41.568 39.529 2.039 1
1 982 . 3 1 1 A 84 84 ASP N N 84 126.496 121.481 5.015 1
1 983 . 3 1 1 A 85 85 THR H H 85 8.261 8.155 0.106 1
1 984 . 3 1 1 A 85 85 THR HA H 85 4.381 4.578 -0.197 1
1 989 . 3 1 1 A 85 85 THR C C 85 170.639 172.975 -2.336 1
1 990 . 3 1 1 A 85 85 THR CA C 85 62.951 61.146 1.805 1
1 991 . 3 1 1 A 85 85 THR CB C 85 72.217 71.436 0.781 1
1 993 . 3 1 1 A 85 85 THR N N 85 114.015 112.719 1.296 1
1 994 . 3 1 1 A 86 86 GLN H H 86 8.221 8.468 -0.247 1
1 995 . 3 1 1 A 86 86 GLN HA H 86 3.664 3.731 -0.067 1
1 1002 . 3 1 1 A 86 86 GLN C C 86 172.890 173.932 -1.042 1
1 1003 . 3 1 1 A 86 86 GLN CA C 86 54.585 55.536 -0.951 1
1 1004 . 3 1 1 A 86 86 GLN CB C 86 28.836 28.620 0.216 1
1 1006 . 3 1 1 A 86 86 GLN N N 86 127.039 126.468 0.571 1
1 1008 . 3 1 1 A 87 87 TYR H H 87 8.976 8.464 0.512 1
1 1009 . 3 1 1 A 87 87 TYR HA H 87 4.583 5.117 -0.534 1
1 1016 . 3 1 1 A 87 87 TYR C C 87 173.534 174.517 -0.983 1
1 1017 . 3 1 1 A 87 87 TYR CA C 87 57.599 55.960 1.639 1
1 1018 . 3 1 1 A 87 87 TYR CB C 87 42.344 41.267 1.077 1
1 1023 . 3 1 1 A 87 87 TYR N N 87 126.060 125.720 0.340 1
1 1024 . 3 1 1 A 88 88 PHE H H 88 8.388 8.411 -0.023 1
1 1025 . 3 1 1 A 88 88 PHE HA H 88 4.902 4.708 0.194 1
1 1033 . 3 1 1 A 88 88 PHE C C 88 175.238 174.719 0.519 1
1 1034 . 3 1 1 A 88 88 PHE CA C 88 55.872 56.738 -0.866 1
1 1035 . 3 1 1 A 88 88 PHE CB C 88 40.284 37.791 2.493 1
1 1041 . 3 1 1 A 88 88 PHE N N 88 118.991 122.898 -3.907 1
1 1042 . 3 1 1 A 89 89 ILE H H 89 8.450 8.764 -0.314 1
1 1043 . 3 1 1 A 89 89 ILE HA H 89 4.913 5.337 -0.424 1
1 1053 . 3 1 1 A 89 89 ILE C C 89 174.770 175.175 -0.405 1
1 1054 . 3 1 1 A 89 89 ILE CA C 89 60.472 60.016 0.456 1
1 1055 . 3 1 1 A 89 89 ILE CB C 89 43.167 39.921 3.246 1
1 1059 . 3 1 1 A 89 89 ILE N N 89 118.943 125.058 -6.115 1
1 1060 . 3 1 1 A 90 90 GLU H H 90 9.071 8.416 0.655 1
1 1061 . 3 1 1 A 90 90 GLU HA H 90 4.558 4.813 -0.255 1
1 1066 . 3 1 1 A 90 90 GLU C C 90 173.981 174.368 -0.387 1
1 1067 . 3 1 1 A 90 90 GLU CA C 90 54.831 55.328 -0.497 1
1 1068 . 3 1 1 A 90 90 GLU CB C 90 35.052 33.676 1.376 1
1 1070 . 3 1 1 A 90 90 GLU N N 90 124.044 125.856 -1.812 1
1 1071 . 3 1 1 A 91 91 VAL H H 91 8.564 8.518 0.046 1
1 1072 . 3 1 1 A 91 91 VAL HA H 91 4.968 4.672 0.296 1
1 1080 . 3 1 1 A 91 91 VAL C C 91 174.488 175.213 -0.725 1
1 1081 . 3 1 1 A 91 91 VAL CA C 91 60.525 60.736 -0.211 1
1 1082 . 3 1 1 A 91 91 VAL CB C 91 34.308 32.769 1.539 1
1 1085 . 3 1 1 A 91 91 VAL N N 91 121.165 127.241 -6.076 1
1 1086 . 3 1 1 A 92 92 GLY H H 92 8.941 8.277 0.664 1
1 1087 . 3 1 1 A 92 92 GLY HA2 H 92 4.571 4.339 0.232 1
1 1088 . 3 1 1 A 92 92 GLY HA3 H 92 3.581 4.351 -0.770 1
1 1089 . 3 1 1 A 92 92 GLY C C 92 171.577 171.959 -0.382 1
1 1090 . 3 1 1 A 92 92 GLY CA C 92 43.640 44.669 -1.029 1
1 1091 . 3 1 1 A 92 92 GLY N N 92 112.251 114.926 -2.675 1
1 1092 . 3 1 1 A 93 93 ALA H H 93 10.001 8.523 1.478 1
1 1093 . 3 1 1 A 93 93 ALA HA H 93 4.560 4.653 -0.093 1
1 1097 . 3 1 1 A 93 93 ALA C C 93 176.786 176.450 0.336 1
1 1098 . 3 1 1 A 93 93 ALA CA C 93 51.060 50.828 0.232 1
1 1099 . 3 1 1 A 93 93 ALA CB C 93 21.088 19.884 1.204 1
1 1100 . 3 1 1 A 93 93 ALA N N 93 126.200 123.707 2.493 1
1 1101 . 3 1 1 A 94 94 CYS H H 94 8.739 8.235 0.504 1
1 1102 . 3 1 1 A 94 94 CYS HA H 94 5.214 5.018 0.196 1
1 1105 . 3 1 1 A 94 94 CYS C C 94 174.087 173.228 0.859 1
1 1106 . 3 1 1 A 94 94 CYS CA C 94 57.088 57.481 -0.393 1
1 1107 . 3 1 1 A 94 94 CYS CB C 94 31.345 31.687 -0.342 1
1 1108 . 3 1 1 A 94 94 CYS N N 94 118.064 116.576 1.488 1
1 1109 . 3 1 1 A 95 95 ASN H H 95 8.968 8.480 0.488 1
1 1110 . 3 1 1 A 95 95 ASN HA H 95 4.593 5.015 -0.422 1
1 1115 . 3 1 1 A 95 95 ASN C C 95 176.009 175.919 0.090 1
1 1116 . 3 1 1 A 95 95 ASN CA C 95 52.981 50.635 2.346 1
1 1117 . 3 1 1 A 95 95 ASN CB C 95 39.336 39.928 -0.592 1
1 1118 . 3 1 1 A 95 95 ASN N N 95 121.604 120.225 1.379 1
1 1120 . 3 1 1 A 96 96 SER H H 96 8.483 8.894 -0.411 1
1 1121 . 3 1 1 A 96 96 SER HA H 96 4.085 4.226 -0.141 1
1 1124 . 3 1 1 A 96 96 SER C C 96 174.700 175.922 -1.222 1
1 1125 . 3 1 1 A 96 96 SER CA C 96 61.600 60.638 0.962 1
1 1126 . 3 1 1 A 96 96 SER CB C 96 62.794 62.816 -0.022 1
1 1127 . 3 1 1 A 96 96 SER N N 96 113.664 115.072 -1.408 1
1 1128 . 3 1 1 A 97 97 ALA H H 97 8.187 7.523 0.664 1
1 1129 . 3 1 1 A 97 97 ALA HA H 97 4.357 4.232 0.125 1
1 1133 . 3 1 1 A 97 97 ALA C C 97 177.600 176.518 1.082 1
1 1134 . 3 1 1 A 97 97 ALA CA C 97 52.681 54.845 -2.164 1
1 1135 . 3 1 1 A 97 97 ALA CB C 97 19.192 19.326 -0.134 1
1 1136 . 3 1 1 A 97 97 ALA N N 97 123.374 121.778 1.596 1
1 1137 . 3 1 1 A 98 98 GLY H H 98 7.800 7.828 -0.028 1
1 1138 . 3 1 1 A 98 98 GLY HA2 H 98 4.444 4.161 0.283 1
1 1139 . 3 1 1 A 98 98 GLY HA3 H 98 3.840 4.162 -0.322 1
1 1140 . 3 1 1 A 98 98 GLY C C 98 171.071 171.954 -0.883 1
1 1141 . 3 1 1 A 98 98 GLY CA C 98 44.809 43.810 0.999 1
1 1142 . 3 1 1 A 98 98 GLY N N 98 106.029 104.398 1.631 1
1 1143 . 3 1 1 A 99 99 CYS H H 99 8.399 8.623 -0.224 1
1 1144 . 3 1 1 A 99 99 CYS HA H 99 4.891 5.049 -0.158 1
1 1147 . 3 1 1 A 99 99 CYS C C 99 175.557 174.506 1.051 1
1 1148 . 3 1 1 A 99 99 CYS CA C 99 57.670 57.760 -0.090 1
1 1149 . 3 1 1 A 99 99 CYS CB C 99 29.469 29.502 -0.033 1
1 1150 . 3 1 1 A 99 99 CYS N N 99 117.855 119.340 -1.485 1
1 1151 . 3 1 1 A 100 100 GLY H H 100 8.930 8.867 0.063 1
1 1152 . 3 1 1 A 100 100 GLY HA2 H 100 4.282 4.196 0.086 1
1 1153 . 3 1 1 A 100 100 GLY HA3 H 100 3.764 4.209 -0.445 1
1 1154 . 3 1 1 A 100 100 GLY C C 100 170.974 173.017 -2.043 1
1 1155 . 3 1 1 A 100 100 GLY CA C 100 45.578 43.770 1.808 1
1 1156 . 3 1 1 A 100 100 GLY N N 100 113.025 113.585 -0.560 1
1 1157 . 3 1 1 A 101 101 PRO HA H 101 4.616 4.596 0.020 1
1 1164 . 3 1 1 A 101 101 PRO CA C 101 60.598 62.182 -1.584 1
1 1165 . 3 1 1 A 101 101 PRO CB C 101 30.874 31.900 -1.026 1
1 1168 . 3 1 1 A 102 102 PRO HA H 102 4.659 4.504 0.155 1
1 1175 . 3 1 1 A 102 102 PRO C C 102 178.078 176.581 1.497 1
1 1176 . 3 1 1 A 102 102 PRO CA C 102 62.111 62.346 -0.235 1
1 1177 . 3 1 1 A 102 102 PRO CB C 102 32.383 32.096 0.287 1
1 1180 . 3 1 1 A 103 103 SER H H 103 8.732 8.078 0.654 1
1 1181 . 3 1 1 A 103 103 SER HA H 103 4.222 4.621 -0.399 1
1 1184 . 3 1 1 A 103 103 SER C C 103 173.155 173.938 -0.783 1
1 1185 . 3 1 1 A 103 103 SER CA C 103 58.321 57.611 0.710 1
1 1186 . 3 1 1 A 103 103 SER CB C 103 65.815 65.480 0.335 1
1 1187 . 3 1 1 A 103 103 SER N N 103 113.387 114.725 -1.338 1
1 1188 . 3 1 1 A 104 104 ASP H H 104 8.248 8.710 -0.462 1
1 1189 . 3 1 1 A 104 104 ASP HA H 104 4.472 4.593 -0.121 1
1 1192 . 3 1 1 A 104 104 ASP C C 104 176.703 176.393 0.310 1
1 1193 . 3 1 1 A 104 104 ASP CA C 104 55.573 54.779 0.794 1
1 1194 . 3 1 1 A 104 104 ASP CB C 104 40.583 41.210 -0.627 1
1 1195 . 3 1 1 A 104 104 ASP N N 104 119.021 120.636 -1.615 1
1 1196 . 3 1 1 A 105 105 MET H H 105 8.460 8.593 -0.133 1
1 1197 . 3 1 1 A 105 105 MET HA H 105 4.542 4.469 0.073 1
1 1205 . 3 1 1 A 105 105 MET C C 105 175.687 175.138 0.549 1
1 1206 . 3 1 1 A 105 105 MET CA C 105 56.348 56.317 0.031 1
1 1207 . 3 1 1 A 105 105 MET CB C 105 33.610 33.098 0.512 1
1 1210 . 3 1 1 A 105 105 MET N N 105 124.915 123.310 1.605 1
1 1211 . 3 1 1 A 106 106 ILE H H 106 8.914 8.756 0.158 1
1 1212 . 3 1 1 A 106 106 ILE HA H 106 4.571 5.005 -0.434 1
1 1222 . 3 1 1 A 106 106 ILE C C 106 173.498 175.783 -2.285 1
1 1223 . 3 1 1 A 106 106 ILE CA C 106 59.185 59.732 -0.547 1
1 1224 . 3 1 1 A 106 106 ILE CB C 106 40.786 41.172 -0.386 1
1 1228 . 3 1 1 A 106 106 ILE N N 106 126.141 127.706 -1.565 1
1 1229 . 3 1 1 A 107 107 GLU H H 107 7.999 9.024 -1.025 1
1 1230 . 3 1 1 A 107 107 GLU HA H 107 5.373 5.029 0.344 1
1 1235 . 3 1 1 A 107 107 GLU C C 107 175.263 174.976 0.287 1
1 1236 . 3 1 1 A 107 107 GLU CA C 107 53.343 54.592 -1.249 1
1 1237 . 3 1 1 A 107 107 GLU CB C 107 32.951 33.205 -0.254 1
1 1239 . 3 1 1 A 107 107 GLU N N 107 121.346 123.071 -1.725 1
1 1240 . 3 1 1 A 108 108 ALA H H 108 8.685 8.709 -0.024 1
1 1241 . 3 1 1 A 108 108 ALA HA H 108 4.549 5.491 -0.942 1
1 1245 . 3 1 1 A 108 108 ALA C C 108 174.431 175.655 -1.224 1
1 1246 . 3 1 1 A 108 108 ALA CA C 108 51.113 50.291 0.822 1
1 1247 . 3 1 1 A 108 108 ALA CB C 108 23.724 23.654 0.070 1
1 1248 . 3 1 1 A 108 108 ALA N N 108 123.009 122.442 0.567 1
1 1249 . 3 1 1 A 109 109 PHE H H 109 8.519 8.989 -0.470 1
1 1250 . 3 1 1 A 109 109 PHE HA H 109 5.481 5.093 0.388 1
1 1258 . 3 1 1 A 109 109 PHE C C 109 177.604 175.971 1.633 1
1 1259 . 3 1 1 A 109 109 PHE CA C 109 55.854 56.749 -0.895 1
1 1260 . 3 1 1 A 109 109 PHE CB C 109 41.019 41.093 -0.074 1
1 1266 . 3 1 1 A 109 109 PHE N N 109 119.997 117.880 2.117 1
1 1267 . 3 1 1 A 110 110 THR H H 110 8.839 8.949 -0.110 1
1 1268 . 3 1 1 A 110 110 THR HA H 110 4.103 4.648 -0.545 1
1 1273 . 3 1 1 A 110 110 THR C C 110 175.354 174.361 0.993 1
1 1274 . 3 1 1 A 110 110 THR CA C 110 61.763 61.156 0.607 1
1 1275 . 3 1 1 A 110 110 THR CB C 110 69.356 71.547 -2.191 1
1 1277 . 3 1 1 A 110 110 THR N N 110 112.067 116.253 -4.186 1
1 1278 . 3 1 1 A 111 111 LYS H H 111 6.542 8.464 -1.922 1
1 1279 . 3 1 1 A 111 111 LYS HA H 111 4.208 4.666 -0.458 1
1 1288 . 3 1 1 A 111 111 LYS C C 111 176.693 176.853 -0.160 1
1 1289 . 3 1 1 A 111 111 LYS CA C 111 56.383 54.997 1.386 1
1 1290 . 3 1 1 A 111 111 LYS CB C 111 33.447 33.765 -0.318 1
1 1294 . 3 1 1 A 111 111 LYS N N 111 116.497 120.884 -4.387 1
1 1295 . 3 1 1 A 112 112 LYS H H 112 8.230 8.465 -0.235 1
1 1296 . 3 1 1 A 112 112 LYS HA H 112 4.143 4.543 -0.400 1
1 1304 . 3 1 1 A 112 112 LYS C C 112 176.823 176.388 0.435 1
1 1305 . 3 1 1 A 112 112 LYS CA C 112 57.229 55.860 1.369 1
1 1306 . 3 1 1 A 112 112 LYS CB C 112 33.528 32.950 0.578 1
1 1310 . 3 1 1 A 112 112 LYS N N 112 118.783 121.663 -2.880 1
1 1311 . 3 1 1 A 113 113 ALA H H 113 8.762 8.465 0.297 1
1 1312 . 3 1 1 A 113 113 ALA HA H 113 4.338 4.349 -0.011 1
1 1316 . 3 1 1 A 113 113 ALA C C 113 177.688 177.056 0.632 1
1 1317 . 3 1 1 A 113 113 ALA CA C 113 52.417 53.012 -0.595 1
1 1318 . 3 1 1 A 113 113 ALA CB C 113 19.272 18.858 0.414 1
1 1319 . 3 1 1 A 113 113 ALA N N 113 124.432 128.272 -3.840 1
1 1320 . 3 1 1 A 114 114 SER H H 114 8.386 8.583 -0.197 1
1 1321 . 3 1 1 A 114 114 SER HA H 114 4.487 4.966 -0.479 1
1 1324 . 3 1 1 A 114 114 SER C C 114 174.474 173.966 0.508 1
1 1325 . 3 1 1 A 114 114 SER CA C 114 58.063 57.405 0.658 1
1 1326 . 3 1 1 A 114 114 SER CB C 114 64.012 65.984 -1.972 1
1 1327 . 3 1 1 A 114 114 SER N N 114 115.798 118.086 -2.288 1
1 1328 . 3 1 1 A 115 115 GLY H H 115 8.278 8.634 -0.356 1
1 1329 . 3 1 1 A 115 115 GLY HA2 H 115 4.172 4.090 0.082 1
1 1330 . 3 1 1 A 115 115 GLY HA3 H 115 4.094 4.090 0.004 1
1 1331 . 3 1 1 A 115 115 GLY C C 115 171.799 173.463 -1.664 1
1 1332 . 3 1 1 A 115 115 GLY CA C 115 44.662 44.250 0.412 1
1 1333 . 3 1 1 A 115 115 GLY N N 115 110.600 116.770 -6.170 1
1 1334 . 3 1 1 A 116 116 PRO HA H 116 4.472 4.767 -0.295 1
1 1341 . 3 1 1 A 116 116 PRO C C 116 177.440 176.179 1.261 1
1 1342 . 3 1 1 A 116 116 PRO CA C 116 63.275 62.388 0.887 1
1 1343 . 3 1 1 A 116 116 PRO CB C 116 32.169 29.811 2.358 1
1 1346 . 3 1 1 A 117 117 SER HA H 117 4.505 4.697 -0.192 1
1 1348 . 3 1 1 A 117 117 SER C C 117 174.652 174.105 0.547 1
1 1349 . 3 1 1 A 117 117 SER CA C 117 58.393 59.512 -1.119 1
1 1350 . 3 1 1 A 117 117 SER CB C 117 63.899 63.363 0.536 1
1 1351 . 3 1 1 A 117 117 SER N N 117 116.140 120.574 -4.434 1
1 1352 . 3 1 1 A 118 118 SER H H 118 8.314 8.507 -0.193 1
1 1353 . 3 1 1 A 118 118 SER HA H 118 4.494 5.280 -0.786 1
1 1355 . 3 1 1 A 118 118 SER C C 118 173.938 173.867 0.071 1
1 1356 . 3 1 1 A 118 118 SER CA C 118 58.428 56.406 2.022 1
1 1357 . 3 1 1 A 118 118 SER CB C 118 63.929 66.066 -2.137 1
1 1358 . 3 1 1 A 118 118 SER N N 118 117.760 118.992 -1.232 1
1 6 . 4 1 1 A 4 4 GLY H H 4 8.507 7.489 1.018 1
1 7 . 4 1 1 A 4 4 GLY HA2 H 4 4.513 4.062 0.451 1
1 8 . 4 1 1 A 4 4 GLY HA3 H 4 3.859 4.062 -0.203 1
1 9 . 4 1 1 A 4 4 GLY CA C 4 44.199 45.348 -1.149 1
1 10 . 4 1 1 A 4 4 GLY N N 4 116.148 105.088 11.060 1
1 11 . 4 1 1 A 6 6 SER HA H 6 4.472 4.939 -0.467 1
1 13 . 4 1 1 A 6 6 SER C C 6 174.998 173.298 1.700 1
1 14 . 4 1 1 A 6 6 SER CA C 6 58.657 57.174 1.483 1
1 15 . 4 1 1 A 6 6 SER CB C 6 64.025 66.512 -2.487 1
1 16 . 4 1 1 A 7 7 GLY H H 7 8.399 8.731 -0.332 1
1 17 . 4 1 1 A 7 7 GLY HA2 H 7 3.963 4.120 -0.157 1
1 18 . 4 1 1 A 7 7 GLY HA3 H 7 3.963 4.120 -0.157 1
1 19 . 4 1 1 A 7 7 GLY C C 7 173.942 172.682 1.260 1
1 20 . 4 1 1 A 7 7 GLY CA C 7 45.332 44.037 1.295 1
1 21 . 4 1 1 A 7 7 GLY N N 7 110.856 108.385 2.471 1
1 22 . 4 1 1 A 8 8 VAL H H 8 7.919 8.198 -0.279 1
1 23 . 4 1 1 A 8 8 VAL HA H 8 4.101 4.043 0.058 1
1 31 . 4 1 1 A 8 8 VAL C C 8 175.827 175.106 0.721 1
1 32 . 4 1 1 A 8 8 VAL CA C 8 61.987 62.777 -0.790 1
1 33 . 4 1 1 A 8 8 VAL CB C 8 32.786 31.829 0.957 1
1 36 . 4 1 1 A 8 8 VAL N N 8 119.305 120.226 -0.921 1
1 37 . 4 1 1 A 9 9 ALA H H 9 8.367 8.763 -0.396 1
1 38 . 4 1 1 A 9 9 ALA HA H 9 4.329 4.898 -0.569 1
1 42 . 4 1 1 A 9 9 ALA C C 9 177.422 175.543 1.879 1
1 43 . 4 1 1 A 9 9 ALA CA C 9 52.399 51.767 0.632 1
1 44 . 4 1 1 A 9 9 ALA CB C 9 19.317 23.790 -4.473 1
1 45 . 4 1 1 A 9 9 ALA N N 9 128.175 131.427 -3.252 1
1 46 . 4 1 1 A 10 10 VAL H H 10 8.154 8.562 -0.408 1
1 47 . 4 1 1 A 10 10 VAL HA H 10 4.046 4.627 -0.581 1
1 55 . 4 1 1 A 10 10 VAL C C 10 176.076 174.025 2.051 1
1 56 . 4 1 1 A 10 10 VAL CA C 10 62.288 60.445 1.843 1
1 57 . 4 1 1 A 10 10 VAL CB C 10 32.786 34.906 -2.120 1
1 60 . 4 1 1 A 10 10 VAL N N 10 120.641 118.023 2.618 1
1 61 . 4 1 1 A 11 11 ILE H H 11 8.261 8.882 -0.621 1
1 62 . 4 1 1 A 11 11 ILE HA H 11 4.148 4.600 -0.452 1
1 72 . 4 1 1 A 11 11 ILE C C 11 175.857 175.834 0.023 1
1 73 . 4 1 1 A 11 11 ILE CA C 11 60.842 60.350 0.492 1
1 74 . 4 1 1 A 11 11 ILE CB C 11 38.776 37.426 1.350 1
1 78 . 4 1 1 A 11 11 ILE N N 11 125.253 127.723 -2.470 1
1 79 . 4 1 1 A 12 12 ASN H H 12 8.575 8.911 -0.336 1
1 80 . 4 1 1 A 12 12 ASN HA H 12 4.737 4.635 0.102 1
1 85 . 4 1 1 A 12 12 ASN C C 12 175.004 174.602 0.402 1
1 86 . 4 1 1 A 12 12 ASN CA C 12 53.087 53.987 -0.900 1
1 87 . 4 1 1 A 12 12 ASN CB C 12 39.076 38.869 0.207 1
1 88 . 4 1 1 A 12 12 ASN N N 12 123.538 127.847 -4.309 1
1 90 . 4 1 1 A 13 13 SER H H 13 8.317 8.714 -0.397 1
1 91 . 4 1 1 A 13 13 SER HA H 13 4.373 4.964 -0.591 1
1 94 . 4 1 1 A 13 13 SER C C 13 174.118 172.564 1.554 1
1 95 . 4 1 1 A 13 13 SER CA C 13 58.375 57.520 0.855 1
1 96 . 4 1 1 A 13 13 SER CB C 13 63.866 66.525 -2.659 1
1 97 . 4 1 1 A 13 13 SER N N 13 116.982 118.843 -1.861 1
1 98 . 4 1 1 A 14 14 ALA H H 14 8.317 8.506 -0.189 1
1 99 . 4 1 1 A 14 14 ALA HA H 14 4.285 5.000 -0.715 1
1 103 . 4 1 1 A 14 14 ALA C C 14 177.298 178.194 -0.896 1
1 104 . 4 1 1 A 14 14 ALA CA C 14 52.628 50.569 2.059 1
1 105 . 4 1 1 A 14 14 ALA CB C 14 19.192 22.354 -3.162 1
1 106 . 4 1 1 A 14 14 ALA N N 14 125.606 122.054 3.552 1
1 107 . 4 1 1 A 15 15 GLN H H 15 8.221 8.738 -0.517 1
1 108 . 4 1 1 A 15 15 GLN HA H 15 4.237 4.125 0.112 1
1 115 . 4 1 1 A 15 15 GLN C C 15 174.741 175.167 -0.426 1
1 116 . 4 1 1 A 15 15 GLN CA C 15 55.925 58.668 -2.743 1
1 117 . 4 1 1 A 15 15 GLN CB C 15 29.990 28.022 1.968 1
1 119 . 4 1 1 A 15 15 GLN N N 15 119.248 120.385 -1.137 1
1 121 . 4 1 1 A 16 16 ASP H H 16 7.898 7.772 0.126 1
1 122 . 4 1 1 A 16 16 ASP HA H 16 4.714 5.036 -0.322 1
1 125 . 4 1 1 A 16 16 ASP C C 16 175.219 174.013 1.206 1
1 126 . 4 1 1 A 16 16 ASP CA C 16 53.387 53.239 0.148 1
1 127 . 4 1 1 A 16 16 ASP CB C 16 42.771 43.872 -1.101 1
1 128 . 4 1 1 A 16 16 ASP N N 16 119.674 118.107 1.567 1
1 129 . 4 1 1 A 17 17 ALA H H 17 8.256 8.342 -0.086 1
1 130 . 4 1 1 A 17 17 ALA HA H 17 4.549 4.754 -0.205 1
1 134 . 4 1 1 A 17 17 ALA C C 17 174.226 173.971 0.255 1
1 135 . 4 1 1 A 17 17 ALA CA C 17 50.514 50.061 0.453 1
1 136 . 4 1 1 A 17 17 ALA CB C 17 16.689 22.159 -5.470 1
1 137 . 4 1 1 A 17 17 ALA N N 17 123.830 122.940 0.890 1
1 138 . 4 1 1 A 18 18 PRO HA H 18 4.247 5.040 -0.793 1
1 145 . 4 1 1 A 18 18 PRO CA C 18 63.135 62.745 0.390 1
1 146 . 4 1 1 A 18 18 PRO CB C 18 31.866 32.038 -0.172 1
1 149 . 4 1 1 A 19 19 SER HA H 19 4.524 4.658 -0.134 1
1 152 . 4 1 1 A 19 19 SER C C 19 173.934 174.376 -0.442 1
1 153 . 4 1 1 A 19 19 SER CA C 19 58.657 59.089 -0.432 1
1 154 . 4 1 1 A 19 19 SER CB C 19 65.246 65.515 -0.269 1
1 155 . 4 1 1 A 20 20 GLU H H 20 7.589 7.762 -0.173 1
1 156 . 4 1 1 A 20 20 GLU HA H 20 4.604 4.657 -0.053 1
1 161 . 4 1 1 A 20 20 GLU C C 20 175.082 175.471 -0.389 1
1 162 . 4 1 1 A 20 20 GLU CA C 20 54.762 56.068 -1.306 1
1 163 . 4 1 1 A 20 20 GLU CB C 20 33.405 31.033 2.372 1
1 165 . 4 1 1 A 20 20 GLU N N 20 121.739 121.441 0.298 1
1 166 . 4 1 1 A 21 21 ALA H H 21 8.564 8.807 -0.243 1
1 167 . 4 1 1 A 21 21 ALA HA H 21 4.995 4.930 0.065 1
1 171 . 4 1 1 A 21 21 ALA C C 21 175.731 175.592 0.139 1
1 172 . 4 1 1 A 21 21 ALA CA C 21 49.341 49.604 -0.263 1
1 173 . 4 1 1 A 21 21 ALA CB C 21 19.388 20.446 -1.058 1
1 174 . 4 1 1 A 21 21 ALA N N 21 125.054 127.746 -2.692 1
1 175 . 4 1 1 A 22 22 PRO HA H 22 4.529 4.862 -0.333 1
1 182 . 4 1 1 A 22 22 PRO C C 22 174.830 177.018 -2.188 1
1 183 . 4 1 1 A 22 22 PRO CA C 22 63.076 62.583 0.493 1
1 184 . 4 1 1 A 22 22 PRO CB C 22 32.294 30.903 1.391 1
1 187 . 4 1 1 A 23 23 THR H H 23 7.442 8.433 -0.991 1
1 188 . 4 1 1 A 23 23 THR HA H 23 4.663 4.485 0.178 1
1 193 . 4 1 1 A 23 23 THR C C 23 172.878 174.647 -1.769 1
1 194 . 4 1 1 A 23 23 THR CA C 23 59.961 61.809 -1.848 1
1 195 . 4 1 1 A 23 23 THR CB C 23 72.337 69.858 2.479 1
1 197 . 4 1 1 A 23 23 THR N N 23 109.039 117.590 -8.551 1
1 198 . 4 1 1 A 24 24 GLU H H 24 8.782 8.953 -0.171 1
1 199 . 4 1 1 A 24 24 GLU HA H 24 3.911 3.836 0.075 1
1 204 . 4 1 1 A 24 24 GLU C C 24 175.816 174.806 1.010 1
1 205 . 4 1 1 A 24 24 GLU CA C 24 56.172 57.220 -1.048 1
1 206 . 4 1 1 A 24 24 GLU CB C 24 27.761 27.922 -0.161 1
1 208 . 4 1 1 A 24 24 GLU N N 24 115.227 119.003 -3.776 1
1 209 . 4 1 1 A 25 25 VAL H H 25 8.030 7.953 0.077 1
1 210 . 4 1 1 A 25 25 VAL HA H 25 4.891 4.883 0.008 1
1 218 . 4 1 1 A 25 25 VAL C C 25 177.065 174.848 2.217 1
1 219 . 4 1 1 A 25 25 VAL CA C 25 62.446 61.639 0.807 1
1 220 . 4 1 1 A 25 25 VAL CB C 25 31.471 32.884 -1.413 1
1 223 . 4 1 1 A 25 25 VAL N N 25 119.529 118.922 0.607 1
1 224 . 4 1 1 A 26 26 GLY H H 26 8.796 8.830 -0.034 1
1 225 . 4 1 1 A 26 26 GLY HA2 H 26 4.420 4.303 0.117 1
1 226 . 4 1 1 A 26 26 GLY HA3 H 26 3.646 4.304 -0.658 1
1 227 . 4 1 1 A 26 26 GLY C C 26 170.874 172.909 -2.035 1
1 228 . 4 1 1 A 26 26 GLY CA C 26 44.468 44.072 0.396 1
1 229 . 4 1 1 A 26 26 GLY N N 26 114.560 116.058 -1.498 1
1 230 . 4 1 1 A 27 27 VAL H H 27 8.332 8.587 -0.255 1
1 231 . 4 1 1 A 27 27 VAL HA H 27 5.508 5.100 0.408 1
1 239 . 4 1 1 A 27 27 VAL C C 27 175.652 173.629 2.023 1
1 240 . 4 1 1 A 27 27 VAL CA C 27 58.279 60.025 -1.746 1
1 241 . 4 1 1 A 27 27 VAL CB C 27 36.230 35.097 1.133 1
1 244 . 4 1 1 A 27 27 VAL N N 27 110.792 115.558 -4.766 1
1 245 . 4 1 1 A 28 28 LYS H H 28 9.143 9.609 -0.466 1
1 246 . 4 1 1 A 28 28 LYS HA H 28 4.550 5.120 -0.570 1
1 254 . 4 1 1 A 28 28 LYS C C 28 175.150 175.397 -0.247 1
1 255 . 4 1 1 A 28 28 LYS CA C 28 55.396 54.754 0.642 1
1 256 . 4 1 1 A 28 28 LYS CB C 28 35.134 35.465 -0.331 1
1 260 . 4 1 1 A 28 28 LYS N N 28 123.314 126.357 -3.043 1
1 261 . 4 1 1 A 29 29 VAL H H 29 9.190 8.949 0.241 1
1 262 . 4 1 1 A 29 29 VAL HA H 29 3.939 4.052 -0.113 1
1 270 . 4 1 1 A 29 29 VAL C C 29 176.162 175.532 0.630 1
1 271 . 4 1 1 A 29 29 VAL CA C 29 64.332 63.105 1.227 1
1 272 . 4 1 1 A 29 29 VAL CB C 29 31.417 31.289 0.128 1
1 275 . 4 1 1 A 29 29 VAL N N 29 127.176 127.216 -0.040 1
1 276 . 4 1 1 A 30 30 LEU H H 30 8.108 8.998 -0.890 1
1 277 . 4 1 1 A 30 30 LEU HA H 30 4.375 4.314 0.061 1
1 287 . 4 1 1 A 30 30 LEU C C 30 177.477 176.538 0.939 1
1 288 . 4 1 1 A 30 30 LEU CA C 30 55.886 56.078 -0.192 1
1 289 . 4 1 1 A 30 30 LEU CB C 30 42.498 42.430 0.068 1
1 293 . 4 1 1 A 30 30 LEU N N 30 128.053 129.321 -1.268 1
1 294 . 4 1 1 A 31 31 SER H H 31 8.152 8.147 0.005 1
1 295 . 4 1 1 A 31 31 SER HA H 31 4.748 4.740 0.008 1
1 298 . 4 1 1 A 31 31 SER C C 31 173.427 174.279 -0.852 1
1 299 . 4 1 1 A 31 31 SER CA C 31 57.811 57.535 0.276 1
1 300 . 4 1 1 A 31 31 SER CB C 31 64.517 66.456 -1.939 1
1 301 . 4 1 1 A 31 31 SER N N 31 112.798 111.472 1.326 1
1 302 . 4 1 1 A 32 32 SER H H 32 8.450 8.798 -0.348 1
1 303 . 4 1 1 A 32 32 SER HA H 32 4.604 4.231 0.373 1
1 306 . 4 1 1 A 32 32 SER C C 32 172.423 175.015 -2.592 1
1 307 . 4 1 1 A 32 32 SER CA C 32 59.414 61.609 -2.195 1
1 308 . 4 1 1 A 32 32 SER CB C 32 63.903 62.633 1.270 1
1 309 . 4 1 1 A 32 32 SER N N 32 112.687 118.339 -5.652 1
1 310 . 4 1 1 A 33 33 SER H H 33 8.355 7.838 0.517 1
1 311 . 4 1 1 A 33 33 SER HA H 33 4.759 4.591 0.168 1
1 314 . 4 1 1 A 33 33 SER C C 33 173.940 173.470 0.470 1
1 315 . 4 1 1 A 33 33 SER CA C 33 57.229 57.234 -0.005 1
1 316 . 4 1 1 A 33 33 SER CB C 33 66.786 63.358 3.428 1
1 317 . 4 1 1 A 33 33 SER N N 33 109.767 111.033 -1.266 1
1 318 . 4 1 1 A 34 34 GLU H H 34 6.978 7.663 -0.685 1
1 319 . 4 1 1 A 34 34 GLU HA H 34 5.487 5.120 0.367 1
1 324 . 4 1 1 A 34 34 GLU C C 34 175.294 174.694 0.600 1
1 325 . 4 1 1 A 34 34 GLU CA C 34 55.130 55.248 -0.118 1
1 326 . 4 1 1 A 34 34 GLU CB C 34 35.711 33.160 2.551 1
1 328 . 4 1 1 A 34 34 GLU N N 34 119.009 120.569 -1.560 1
1 329 . 4 1 1 A 35 35 ILE H H 35 8.190 8.639 -0.449 1
1 330 . 4 1 1 A 35 35 ILE HA H 35 4.477 4.835 -0.358 1
1 340 . 4 1 1 A 35 35 ILE C C 35 173.681 173.884 -0.203 1
1 341 . 4 1 1 A 35 35 ILE CA C 35 60.203 60.275 -0.072 1
1 342 . 4 1 1 A 35 35 ILE CB C 35 43.791 41.533 2.258 1
1 346 . 4 1 1 A 35 35 ILE N N 35 120.691 123.954 -3.263 1
1 347 . 4 1 1 A 36 36 SER H H 36 9.269 8.933 0.336 1
1 348 . 4 1 1 A 36 36 SER HA H 36 5.300 5.178 0.122 1
1 351 . 4 1 1 A 36 36 SER C C 36 172.945 173.123 -0.178 1
1 352 . 4 1 1 A 36 36 SER CA C 36 56.549 56.885 -0.336 1
1 353 . 4 1 1 A 36 36 SER CB C 36 64.591 63.874 0.717 1
1 354 . 4 1 1 A 36 36 SER N N 36 120.471 122.750 -2.279 1
1 355 . 4 1 1 A 37 37 VAL H H 37 9.000 8.913 0.087 1
1 356 . 4 1 1 A 37 37 VAL HA H 37 4.902 4.469 0.433 1
1 364 . 4 1 1 A 37 37 VAL C C 37 173.530 175.144 -1.614 1
1 365 . 4 1 1 A 37 37 VAL CA C 37 60.261 61.350 -1.089 1
1 366 . 4 1 1 A 37 37 VAL CB C 37 35.001 32.797 2.204 1
1 369 . 4 1 1 A 37 37 VAL N N 37 127.009 127.172 -0.163 1
1 370 . 4 1 1 A 38 38 HIS H H 38 8.779 8.765 0.014 1
1 371 . 4 1 1 A 38 38 HIS HA H 38 5.238 4.893 0.345 1
1 376 . 4 1 1 A 38 38 HIS C C 38 173.545 174.854 -1.309 1
1 377 . 4 1 1 A 38 38 HIS CA C 38 54.991 55.290 -0.299 1
1 378 . 4 1 1 A 38 38 HIS CB C 38 32.564 32.245 0.319 1
1 381 . 4 1 1 A 38 38 HIS N N 38 123.115 125.171 -2.056 1
1 382 . 4 1 1 A 39 39 TRP H H 39 7.682 8.281 -0.599 1
1 383 . 4 1 1 A 39 39 TRP HA H 39 5.044 5.186 -0.142 1
1 392 . 4 1 1 A 39 39 TRP C C 39 173.585 172.916 0.669 1
1 393 . 4 1 1 A 39 39 TRP CA C 39 57.170 55.393 1.777 1
1 394 . 4 1 1 A 39 39 TRP CB C 39 31.554 31.584 -0.030 1
1 400 . 4 1 1 A 39 39 TRP N N 39 116.447 119.102 -2.655 1
1 402 . 4 1 1 A 40 40 GLU H H 40 8.522 8.526 -0.004 1
1 403 . 4 1 1 A 40 40 GLU HA H 40 4.619 4.707 -0.088 1
1 408 . 4 1 1 A 40 40 GLU C C 40 177.186 176.946 0.240 1
1 409 . 4 1 1 A 40 40 GLU CA C 40 54.356 55.748 -1.392 1
1 410 . 4 1 1 A 40 40 GLU CB C 40 30.344 30.986 -0.642 1
1 412 . 4 1 1 A 40 40 GLU N N 40 117.208 121.435 -4.227 1
1 413 . 4 1 1 A 41 41 HIS H H 41 8.477 8.905 -0.428 1
1 414 . 4 1 1 A 41 41 HIS HA H 41 4.748 4.901 -0.153 1
1 419 . 4 1 1 A 41 41 HIS C C 41 177.474 176.021 1.453 1
1 420 . 4 1 1 A 41 41 HIS CA C 41 54.779 56.176 -1.397 1
1 421 . 4 1 1 A 41 41 HIS CB C 41 31.140 30.430 0.710 1
1 424 . 4 1 1 A 41 41 HIS N N 41 119.083 123.746 -4.663 1
1 425 . 4 1 1 A 42 42 VAL H H 42 7.680 8.184 -0.504 1
1 426 . 4 1 1 A 42 42 VAL HA H 42 4.428 4.421 0.007 1
1 434 . 4 1 1 A 42 42 VAL C C 42 175.401 177.263 -1.862 1
1 435 . 4 1 1 A 42 42 VAL CA C 42 60.878 61.471 -0.593 1
1 436 . 4 1 1 A 42 42 VAL CB C 42 32.216 33.665 -1.449 1
1 439 . 4 1 1 A 42 42 VAL N N 42 114.975 123.444 -8.469 1
1 440 . 4 1 1 A 43 43 LEU H H 43 9.107 8.607 0.500 1
1 441 . 4 1 1 A 43 43 LEU HA H 43 4.303 4.220 0.083 1
1 451 . 4 1 1 A 43 43 LEU C C 43 178.603 177.318 1.285 1
1 452 . 4 1 1 A 43 43 LEU CA C 43 55.872 57.228 -1.356 1
1 453 . 4 1 1 A 43 43 LEU CB C 43 41.684 42.140 -0.456 1
1 457 . 4 1 1 A 43 43 LEU N N 43 123.877 119.528 4.349 1
1 458 . 4 1 1 A 44 44 GLU H H 44 7.988 7.632 0.356 1
1 459 . 4 1 1 A 44 44 GLU HA H 44 4.152 4.481 -0.329 1
1 464 . 4 1 1 A 44 44 GLU C C 44 177.236 176.377 0.859 1
1 465 . 4 1 1 A 44 44 GLU CA C 44 57.282 55.938 1.344 1
1 466 . 4 1 1 A 44 44 GLU CB C 44 31.033 30.005 1.028 1
1 468 . 4 1 1 A 44 44 GLU N N 44 119.655 120.747 -1.092 1
1 469 . 4 1 1 A 45 45 LYS H H 45 8.596 8.648 -0.052 1
1 470 . 4 1 1 A 45 45 LYS HA H 45 4.295 4.357 -0.062 1
1 479 . 4 1 1 A 45 45 LYS C C 45 177.258 177.573 -0.315 1
1 480 . 4 1 1 A 45 45 LYS CA C 45 57.170 56.913 0.257 1
1 481 . 4 1 1 A 45 45 LYS CB C 45 32.204 32.136 0.068 1
1 485 . 4 1 1 A 45 45 LYS N N 45 120.518 124.618 -4.100 1
1 486 . 4 1 1 A 46 46 ILE H H 46 7.212 7.692 -0.480 1
1 487 . 4 1 1 A 46 46 ILE HA H 46 4.371 4.084 0.287 1
1 497 . 4 1 1 A 46 46 ILE C C 46 175.191 176.305 -1.114 1
1 498 . 4 1 1 A 46 46 ILE CA C 46 60.666 63.476 -2.810 1
1 499 . 4 1 1 A 46 46 ILE CB C 46 37.531 37.480 0.051 1
1 503 . 4 1 1 A 46 46 ILE N N 46 111.434 114.087 -2.653 1
1 504 . 4 1 1 A 47 47 VAL H H 47 7.378 7.232 0.146 1
1 505 . 4 1 1 A 47 47 VAL HA H 47 3.658 3.835 -0.177 1
1 513 . 4 1 1 A 47 47 VAL C C 47 175.157 176.066 -0.909 1
1 514 . 4 1 1 A 47 47 VAL CA C 47 63.521 62.209 1.312 1
1 515 . 4 1 1 A 47 47 VAL CB C 47 33.570 32.267 1.303 1
1 518 . 4 1 1 A 47 47 VAL N N 47 122.780 122.368 0.412 1
1 519 . 4 1 1 A 48 48 GLU H H 48 8.733 8.644 0.089 1
1 520 . 4 1 1 A 48 48 GLU HA H 48 4.615 4.221 0.394 1
1 525 . 4 1 1 A 48 48 GLU C C 48 176.241 176.637 -0.396 1
1 526 . 4 1 1 A 48 48 GLU CA C 48 56.701 58.645 -1.944 1
1 527 . 4 1 1 A 48 48 GLU CB C 48 32.966 30.859 2.107 1
1 529 . 4 1 1 A 48 48 GLU N N 48 124.835 124.583 0.252 1
1 530 . 4 1 1 A 49 49 SER H H 49 8.130 7.198 0.932 1
1 531 . 4 1 1 A 49 49 SER HA H 49 4.726 4.513 0.213 1
1 534 . 4 1 1 A 49 49 SER C C 49 171.371 171.425 -0.054 1
1 535 . 4 1 1 A 49 49 SER CA C 49 57.440 57.400 0.040 1
1 536 . 4 1 1 A 49 49 SER CB C 49 66.073 65.173 0.900 1
1 537 . 4 1 1 A 49 49 SER N N 49 114.231 110.991 3.240 1
1 538 . 4 1 1 A 50 50 TYR H H 50 8.681 8.946 -0.265 1
1 539 . 4 1 1 A 50 50 TYR HA H 50 5.057 5.161 -0.104 1
1 546 . 4 1 1 A 50 50 TYR C C 50 174.034 174.681 -0.647 1
1 547 . 4 1 1 A 50 50 TYR CA C 50 57.434 56.343 1.091 1
1 548 . 4 1 1 A 50 50 TYR CB C 50 41.437 38.955 2.482 1
1 553 . 4 1 1 A 50 50 TYR N N 50 115.301 120.322 -5.021 1
1 554 . 4 1 1 A 51 51 GLN H H 51 9.200 8.592 0.608 1
1 555 . 4 1 1 A 51 51 GLN HA H 51 5.144 4.645 0.499 1
1 562 . 4 1 1 A 51 51 GLN C C 51 173.878 174.776 -0.898 1
1 563 . 4 1 1 A 51 51 GLN CA C 51 53.669 55.669 -2.000 1
1 564 . 4 1 1 A 51 51 GLN CB C 51 32.783 29.350 3.433 1
1 566 . 4 1 1 A 51 51 GLN N N 51 119.842 124.504 -4.662 1
1 568 . 4 1 1 A 52 52 ILE H H 52 9.441 8.830 0.611 1
1 569 . 4 1 1 A 52 52 ILE HA H 52 4.803 4.949 -0.146 1
1 579 . 4 1 1 A 52 52 ILE C C 52 174.953 174.556 0.397 1
1 580 . 4 1 1 A 52 52 ILE CA C 52 61.054 60.481 0.573 1
1 581 . 4 1 1 A 52 52 ILE CB C 52 39.108 38.681 0.427 1
1 585 . 4 1 1 A 52 52 ILE N N 52 128.547 128.787 -0.240 1
1 586 . 4 1 1 A 53 53 ARG H H 53 9.169 9.148 0.021 1
1 587 . 4 1 1 A 53 53 ARG HA H 53 5.628 5.386 0.242 1
1 594 . 4 1 1 A 53 53 ARG C C 53 174.869 175.236 -0.367 1
1 595 . 4 1 1 A 53 53 ARG CA C 53 54.479 54.813 -0.334 1
1 596 . 4 1 1 A 53 53 ARG CB C 53 33.942 32.106 1.836 1
1 599 . 4 1 1 A 53 53 ARG N N 53 127.779 129.924 -2.145 1
1 600 . 4 1 1 A 54 54 TYR H H 54 8.671 8.800 -0.129 1
1 601 . 4 1 1 A 54 54 TYR HA H 54 6.310 6.382 -0.072 1
1 608 . 4 1 1 A 54 54 TYR C C 54 173.965 174.009 -0.044 1
1 609 . 4 1 1 A 54 54 TYR CA C 54 55.291 55.749 -0.458 1
1 610 . 4 1 1 A 54 54 TYR CB C 54 41.930 42.557 -0.627 1
1 615 . 4 1 1 A 54 54 TYR N N 54 117.929 123.330 -5.401 1
1 616 . 4 1 1 A 55 55 TRP H H 55 8.928 8.874 0.054 1
1 617 . 4 1 1 A 55 55 TRP HA H 55 5.054 5.286 -0.232 1
1 626 . 4 1 1 A 55 55 TRP C C 55 172.613 173.938 -1.325 1
1 627 . 4 1 1 A 55 55 TRP CA C 55 56.577 55.784 0.793 1
1 628 . 4 1 1 A 55 55 TRP CB C 55 32.118 32.198 -0.080 1
1 634 . 4 1 1 A 55 55 TRP N N 55 121.459 119.163 2.296 1
1 636 . 4 1 1 A 56 56 ALA H H 56 8.870 8.320 0.550 1
1 637 . 4 1 1 A 56 56 ALA HA H 56 4.053 3.744 0.309 1
1 641 . 4 1 1 A 56 56 ALA C C 56 179.868 178.277 1.591 1
1 642 . 4 1 1 A 56 56 ALA CA C 56 50.478 51.967 -1.489 1
1 643 . 4 1 1 A 56 56 ALA CB C 56 19.108 18.609 0.499 1
1 644 . 4 1 1 A 56 56 ALA N N 56 124.214 123.799 0.415 1
1 645 . 4 1 1 A 57 57 ALA H H 57 8.147 8.189 -0.042 1
1 646 . 4 1 1 A 57 57 ALA HA H 57 3.913 4.021 -0.108 1
1 650 . 4 1 1 A 57 57 ALA C C 57 178.479 179.406 -0.927 1
1 651 . 4 1 1 A 57 57 ALA CA C 57 54.832 55.179 -0.347 1
1 652 . 4 1 1 A 57 57 ALA CB C 57 19.317 18.277 1.040 1
1 653 . 4 1 1 A 57 57 ALA N N 57 120.999 126.033 -5.034 1
1 654 . 4 1 1 A 58 58 HIS H H 58 7.274 7.572 -0.298 1
1 655 . 4 1 1 A 58 58 HIS HA H 58 4.605 4.473 0.132 1
1 660 . 4 1 1 A 58 58 HIS C C 58 175.349 175.135 0.214 1
1 661 . 4 1 1 A 58 58 HIS CA C 58 56.066 57.683 -1.617 1
1 662 . 4 1 1 A 58 58 HIS CB C 58 29.780 29.320 0.460 1
1 665 . 4 1 1 A 58 58 HIS N N 58 109.961 112.902 -2.941 1
1 666 . 4 1 1 A 59 59 ASP H H 59 7.945 7.612 0.333 1
1 667 . 4 1 1 A 59 59 ASP HA H 59 4.869 4.653 0.216 1
1 670 . 4 1 1 A 59 59 ASP C C 59 175.895 176.117 -0.222 1
1 671 . 4 1 1 A 59 59 ASP CA C 59 53.898 53.775 0.123 1
1 672 . 4 1 1 A 59 59 ASP CB C 59 42.385 41.778 0.607 1
1 673 . 4 1 1 A 59 59 ASP N N 59 123.825 121.063 2.762 1
1 674 . 4 1 1 A 60 60 LYS H H 60 8.147 8.601 -0.454 1
1 675 . 4 1 1 A 60 60 LYS HA H 60 4.197 4.657 -0.460 1
1 682 . 4 1 1 A 60 60 LYS C C 60 177.212 177.875 -0.663 1
1 683 . 4 1 1 A 60 60 LYS CA C 60 56.121 54.814 1.307 1
1 684 . 4 1 1 A 60 60 LYS CB C 60 32.951 34.591 -1.640 1
1 688 . 4 1 1 A 60 60 LYS N N 60 117.803 122.112 -4.309 1
1 689 . 4 1 1 A 61 61 GLU H H 61 8.381 8.852 -0.471 1
1 690 . 4 1 1 A 61 61 GLU HA H 61 2.603 3.217 -0.614 1
1 695 . 4 1 1 A 61 61 GLU C C 61 178.058 177.668 0.390 1
1 696 . 4 1 1 A 61 61 GLU CA C 61 58.622 58.483 0.139 1
1 697 . 4 1 1 A 61 61 GLU CB C 61 28.709 29.368 -0.659 1
1 699 . 4 1 1 A 61 61 GLU N N 61 122.310 122.540 -0.230 1
1 700 . 4 1 1 A 62 62 GLU H H 62 8.470 8.071 0.399 1
1 701 . 4 1 1 A 62 62 GLU HA H 62 3.919 4.067 -0.148 1
1 706 . 4 1 1 A 62 62 GLU C C 62 176.293 177.002 -0.709 1
1 707 . 4 1 1 A 62 62 GLU CA C 62 57.899 57.937 -0.038 1
1 708 . 4 1 1 A 62 62 GLU CB C 62 28.796 29.266 -0.470 1
1 710 . 4 1 1 A 62 62 GLU N N 62 117.600 116.310 1.290 1
1 711 . 4 1 1 A 63 63 ALA H H 63 7.760 7.248 0.512 1
1 712 . 4 1 1 A 63 63 ALA HA H 63 4.443 4.450 -0.007 1
1 716 . 4 1 1 A 63 63 ALA C C 63 176.867 177.025 -0.158 1
1 717 . 4 1 1 A 63 63 ALA CA C 63 51.095 51.553 -0.458 1
1 718 . 4 1 1 A 63 63 ALA CB C 63 18.845 19.076 -0.231 1
1 719 . 4 1 1 A 63 63 ALA N N 63 123.067 121.727 1.340 1
1 720 . 4 1 1 A 64 64 ALA H H 64 7.389 7.221 0.168 1
1 721 . 4 1 1 A 64 64 ALA HA H 64 4.175 4.341 -0.166 1
1 725 . 4 1 1 A 64 64 ALA C C 64 177.784 177.495 0.289 1
1 726 . 4 1 1 A 64 64 ALA CA C 64 53.099 51.805 1.294 1
1 727 . 4 1 1 A 64 64 ALA CB C 64 19.784 19.354 0.430 1
1 728 . 4 1 1 A 64 64 ALA N N 64 121.409 121.416 -0.007 1
1 729 . 4 1 1 A 65 65 ASN H H 65 8.152 7.953 0.199 1
1 730 . 4 1 1 A 65 65 ASN HA H 65 4.714 4.751 -0.037 1
1 735 . 4 1 1 A 65 65 ASN C C 65 173.533 174.996 -1.463 1
1 736 . 4 1 1 A 65 65 ASN CA C 65 52.523 53.349 -0.826 1
1 737 . 4 1 1 A 65 65 ASN CB C 65 40.739 39.308 1.431 1
1 738 . 4 1 1 A 65 65 ASN N N 65 119.620 119.710 -0.090 1
1 740 . 4 1 1 A 66 66 ARG H H 66 8.366 8.592 -0.226 1
1 741 . 4 1 1 A 66 66 ARG HA H 66 5.760 5.273 0.487 1
1 748 . 4 1 1 A 66 66 ARG C C 66 175.946 175.216 0.730 1
1 749 . 4 1 1 A 66 66 ARG CA C 66 54.902 54.700 0.202 1
1 750 . 4 1 1 A 66 66 ARG CB C 66 34.116 32.924 1.192 1
1 753 . 4 1 1 A 66 66 ARG N N 66 116.911 120.271 -3.360 1
1 754 . 4 1 1 A 67 67 VAL H H 67 9.057 9.027 0.030 1
1 755 . 4 1 1 A 67 67 VAL HA H 67 4.520 4.633 -0.113 1
1 763 . 4 1 1 A 67 67 VAL C C 67 173.731 174.053 -0.322 1
1 764 . 4 1 1 A 67 67 VAL CA C 67 60.845 61.493 -0.648 1
1 765 . 4 1 1 A 67 67 VAL CB C 67 35.917 33.409 2.508 1
1 768 . 4 1 1 A 67 67 VAL N N 67 122.047 123.916 -1.869 1
1 769 . 4 1 1 A 68 68 GLN H H 68 8.741 9.140 -0.399 1
1 770 . 4 1 1 A 68 68 GLN HA H 68 5.543 5.006 0.537 1
1 777 . 4 1 1 A 68 68 GLN C C 68 175.452 175.463 -0.011 1
1 778 . 4 1 1 A 68 68 GLN CA C 68 54.462 54.814 -0.352 1
1 779 . 4 1 1 A 68 68 GLN CB C 68 32.087 30.657 1.430 1
1 781 . 4 1 1 A 68 68 GLN N N 68 124.250 128.786 -4.536 1
1 783 . 4 1 1 A 69 69 VAL H H 69 8.912 8.899 0.013 1
1 784 . 4 1 1 A 69 69 VAL HA H 69 5.012 4.934 0.078 1
1 792 . 4 1 1 A 69 69 VAL C C 69 175.870 174.955 0.915 1
1 793 . 4 1 1 A 69 69 VAL CA C 69 59.045 59.199 -0.154 1
1 794 . 4 1 1 A 69 69 VAL CB C 69 35.106 35.466 -0.360 1
1 797 . 4 1 1 A 69 69 VAL N N 69 117.045 120.171 -3.126 1
1 798 . 4 1 1 A 70 70 THR H H 70 8.491 8.642 -0.151 1
1 799 . 4 1 1 A 70 70 THR HA H 70 4.585 4.438 0.147 1
1 804 . 4 1 1 A 70 70 THR C C 70 175.015 176.192 -1.177 1
1 805 . 4 1 1 A 70 70 THR CA C 70 62.917 62.172 0.745 1
1 806 . 4 1 1 A 70 70 THR CB C 70 70.767 69.907 0.860 1
1 808 . 4 1 1 A 70 70 THR N N 70 111.495 114.183 -2.688 1
1 809 . 4 1 1 A 71 71 SER H H 71 7.522 9.218 -1.696 1
1 810 . 4 1 1 A 71 71 SER HA H 71 4.148 4.443 -0.295 1
1 813 . 4 1 1 A 71 71 SER C C 71 174.340 176.337 -1.997 1
1 814 . 4 1 1 A 71 71 SER CA C 71 59.749 61.602 -1.853 1
1 815 . 4 1 1 A 71 71 SER CB C 71 63.060 62.882 0.178 1
1 816 . 4 1 1 A 71 71 SER N N 71 111.553 118.404 -6.851 1
1 817 . 4 1 1 A 72 72 GLN H H 72 7.718 8.012 -0.294 1
1 818 . 4 1 1 A 72 72 GLN HA H 72 4.428 4.447 -0.019 1
1 823 . 4 1 1 A 72 72 GLN C C 72 176.456 176.938 -0.482 1
1 824 . 4 1 1 A 72 72 GLN CA C 72 56.630 58.234 -1.604 1
1 825 . 4 1 1 A 72 72 GLN CB C 72 29.373 29.040 0.333 1
1 827 . 4 1 1 A 72 72 GLN N N 72 117.502 119.388 -1.886 1
1 829 . 4 1 1 A 73 73 GLU H H 73 7.650 7.870 -0.220 1
1 830 . 4 1 1 A 73 73 GLU HA H 73 4.408 4.538 -0.130 1
1 835 . 4 1 1 A 73 73 GLU C C 73 176.484 176.006 0.478 1
1 836 . 4 1 1 A 73 73 GLU CA C 73 56.472 56.231 0.241 1
1 837 . 4 1 1 A 73 73 GLU CB C 73 31.962 29.912 2.050 1
1 839 . 4 1 1 A 73 73 GLU N N 73 119.175 119.449 -0.274 1
1 840 . 4 1 1 A 74 74 TYR H H 74 8.615 8.917 -0.302 1
1 841 . 4 1 1 A 74 74 TYR HA H 74 3.427 4.157 -0.730 1
1 848 . 4 1 1 A 74 74 TYR C C 74 171.853 175.123 -3.270 1
1 849 . 4 1 1 A 74 74 TYR CA C 74 56.565 59.976 -3.411 1
1 850 . 4 1 1 A 74 74 TYR CB C 74 39.410 37.817 1.593 1
1 855 . 4 1 1 A 74 74 TYR N N 74 118.997 124.534 -5.537 1
1 856 . 4 1 1 A 75 75 SER H H 75 6.801 7.587 -0.786 1
1 857 . 4 1 1 A 75 75 SER HA H 75 5.001 4.064 0.937 1
1 860 . 4 1 1 A 75 75 SER C C 75 172.976 171.888 1.088 1
1 861 . 4 1 1 A 75 75 SER CA C 75 56.154 56.711 -0.557 1
1 862 . 4 1 1 A 75 75 SER CB C 75 66.541 65.686 0.855 1
1 863 . 4 1 1 A 75 75 SER N N 75 109.803 110.908 -1.105 1
1 864 . 4 1 1 A 76 76 ALA H H 76 8.897 8.830 0.067 1
1 865 . 4 1 1 A 76 76 ALA HA H 76 4.604 5.283 -0.679 1
1 869 . 4 1 1 A 76 76 ALA C C 76 174.777 175.206 -0.429 1
1 870 . 4 1 1 A 76 76 ALA CA C 76 51.359 50.522 0.837 1
1 871 . 4 1 1 A 76 76 ALA CB C 76 23.140 24.330 -1.190 1
1 872 . 4 1 1 A 76 76 ALA N N 76 120.416 123.692 -3.276 1
1 873 . 4 1 1 A 77 77 ARG H H 77 8.529 8.712 -0.183 1
1 874 . 4 1 1 A 77 77 ARG HA H 77 4.681 5.051 -0.370 1
1 881 . 4 1 1 A 77 77 ARG C C 77 174.533 174.057 0.476 1
1 882 . 4 1 1 A 77 77 ARG CA C 77 54.973 54.502 0.471 1
1 883 . 4 1 1 A 77 77 ARG CB C 77 31.839 33.911 -2.072 1
1 886 . 4 1 1 A 77 77 ARG N N 77 121.172 119.979 1.193 1
1 887 . 4 1 1 A 78 78 LEU H H 78 9.089 9.248 -0.159 1
1 888 . 4 1 1 A 78 78 LEU HA H 78 4.396 5.026 -0.630 1
1 898 . 4 1 1 A 78 78 LEU C C 78 175.107 175.503 -0.396 1
1 899 . 4 1 1 A 78 78 LEU CA C 78 53.333 53.035 0.298 1
1 900 . 4 1 1 A 78 78 LEU CB C 78 41.272 44.847 -3.575 1
1 904 . 4 1 1 A 78 78 LEU N N 78 126.698 127.124 -0.426 1
1 905 . 4 1 1 A 79 79 GLU H H 79 8.239 8.698 -0.459 1
1 906 . 4 1 1 A 79 79 GLU HA H 79 5.034 4.891 0.143 1
1 911 . 4 1 1 A 79 79 GLU C C 79 174.792 175.571 -0.779 1
1 912 . 4 1 1 A 79 79 GLU CA C 79 54.056 54.591 -0.535 1
1 913 . 4 1 1 A 79 79 GLU CB C 79 33.692 32.945 0.747 1
1 915 . 4 1 1 A 79 79 GLU N N 79 119.147 122.110 -2.963 1
1 916 . 4 1 1 A 80 80 ASN H H 80 9.068 8.706 0.362 1
1 917 . 4 1 1 A 80 80 ASN HA H 80 4.303 4.312 -0.009 1
1 922 . 4 1 1 A 80 80 ASN C C 80 174.823 174.512 0.311 1
1 923 . 4 1 1 A 80 80 ASN CA C 80 54.462 54.087 0.375 1
1 924 . 4 1 1 A 80 80 ASN CB C 80 37.359 37.089 0.270 1
1 925 . 4 1 1 A 80 80 ASN N N 80 113.324 116.384 -3.060 1
1 927 . 4 1 1 A 81 81 LEU H H 81 8.671 7.731 0.940 1
1 928 . 4 1 1 A 81 81 LEU HA H 81 4.252 4.525 -0.273 1
1 938 . 4 1 1 A 81 81 LEU C C 81 175.804 176.576 -0.772 1
1 939 . 4 1 1 A 81 81 LEU CA C 81 53.841 53.823 0.018 1
1 940 . 4 1 1 A 81 81 LEU CB C 81 40.891 43.217 -2.326 1
1 944 . 4 1 1 A 81 81 LEU N N 81 117.886 118.831 -0.945 1
1 945 . 4 1 1 A 82 82 LEU H H 82 8.448 8.680 -0.232 1
1 946 . 4 1 1 A 82 82 LEU HA H 82 4.600 4.760 -0.160 1
1 956 . 4 1 1 A 82 82 LEU C C 82 175.149 174.793 0.356 1
1 957 . 4 1 1 A 82 82 LEU CA C 82 52.629 52.990 -0.361 1
1 958 . 4 1 1 A 82 82 LEU CB C 82 42.449 41.406 1.043 1
1 962 . 4 1 1 A 82 82 LEU N N 82 121.118 123.916 -2.798 1
1 963 . 4 1 1 A 83 83 PRO HA H 83 5.237 4.408 0.829 1
1 970 . 4 1 1 A 83 83 PRO C C 83 178.145 177.316 0.829 1
1 971 . 4 1 1 A 83 83 PRO CA C 83 62.472 63.302 -0.830 1
1 972 . 4 1 1 A 83 83 PRO CB C 83 33.232 32.261 0.971 1
1 975 . 4 1 1 A 84 84 ASP H H 84 7.943 9.382 -1.439 1
1 976 . 4 1 1 A 84 84 ASP HA H 84 4.208 4.319 -0.111 1
1 979 . 4 1 1 A 84 84 ASP C C 84 174.476 174.669 -0.193 1
1 980 . 4 1 1 A 84 84 ASP CA C 84 54.250 55.020 -0.770 1
1 981 . 4 1 1 A 84 84 ASP CB C 84 41.568 39.514 2.054 1
1 982 . 4 1 1 A 84 84 ASP N N 84 126.496 121.594 4.902 1
1 983 . 4 1 1 A 85 85 THR H H 85 8.261 8.128 0.133 1
1 984 . 4 1 1 A 85 85 THR HA H 85 4.381 4.556 -0.175 1
1 989 . 4 1 1 A 85 85 THR C C 85 170.639 173.183 -2.544 1
1 990 . 4 1 1 A 85 85 THR CA C 85 62.951 60.911 2.040 1
1 991 . 4 1 1 A 85 85 THR CB C 85 72.217 71.670 0.547 1
1 993 . 4 1 1 A 85 85 THR N N 85 114.015 112.598 1.417 1
1 994 . 4 1 1 A 86 86 GLN H H 86 8.221 8.371 -0.150 1
1 995 . 4 1 1 A 86 86 GLN HA H 86 3.664 3.748 -0.084 1
1 1002 . 4 1 1 A 86 86 GLN C C 86 172.890 174.037 -1.147 1
1 1003 . 4 1 1 A 86 86 GLN CA C 86 54.585 55.569 -0.984 1
1 1004 . 4 1 1 A 86 86 GLN CB C 86 28.836 29.005 -0.169 1
1 1006 . 4 1 1 A 86 86 GLN N N 86 127.039 126.528 0.511 1
1 1008 . 4 1 1 A 87 87 TYR H H 87 8.976 8.396 0.580 1
1 1009 . 4 1 1 A 87 87 TYR HA H 87 4.583 4.621 -0.038 1
1 1016 . 4 1 1 A 87 87 TYR C C 87 173.534 174.275 -0.741 1
1 1017 . 4 1 1 A 87 87 TYR CA C 87 57.599 56.353 1.246 1
1 1018 . 4 1 1 A 87 87 TYR CB C 87 42.344 41.508 0.836 1
1 1023 . 4 1 1 A 87 87 TYR N N 87 126.060 124.676 1.384 1
1 1024 . 4 1 1 A 88 88 PHE H H 88 8.388 8.073 0.315 1
1 1025 . 4 1 1 A 88 88 PHE HA H 88 4.902 5.080 -0.178 1
1 1033 . 4 1 1 A 88 88 PHE C C 88 175.238 174.804 0.434 1
1 1034 . 4 1 1 A 88 88 PHE CA C 88 55.872 57.061 -1.189 1
1 1035 . 4 1 1 A 88 88 PHE CB C 88 40.284 39.007 1.277 1
1 1041 . 4 1 1 A 88 88 PHE N N 88 118.991 122.685 -3.694 1
1 1042 . 4 1 1 A 89 89 ILE H H 89 8.450 8.937 -0.487 1
1 1043 . 4 1 1 A 89 89 ILE HA H 89 4.913 5.294 -0.381 1
1 1053 . 4 1 1 A 89 89 ILE C C 89 174.770 175.167 -0.397 1
1 1054 . 4 1 1 A 89 89 ILE CA C 89 60.472 59.991 0.481 1
1 1055 . 4 1 1 A 89 89 ILE CB C 89 43.167 40.676 2.491 1
1 1059 . 4 1 1 A 89 89 ILE N N 89 118.943 124.185 -5.242 1
1 1060 . 4 1 1 A 90 90 GLU H H 90 9.071 8.744 0.327 1
1 1061 . 4 1 1 A 90 90 GLU HA H 90 4.558 5.218 -0.660 1
1 1066 . 4 1 1 A 90 90 GLU C C 90 173.981 174.509 -0.528 1
1 1067 . 4 1 1 A 90 90 GLU CA C 90 54.831 54.880 -0.049 1
1 1068 . 4 1 1 A 90 90 GLU CB C 90 35.052 33.569 1.483 1
1 1070 . 4 1 1 A 90 90 GLU N N 90 124.044 123.492 0.552 1
1 1071 . 4 1 1 A 91 91 VAL H H 91 8.564 8.647 -0.083 1
1 1072 . 4 1 1 A 91 91 VAL HA H 91 4.968 4.964 0.004 1
1 1080 . 4 1 1 A 91 91 VAL C C 91 174.488 175.006 -0.518 1
1 1081 . 4 1 1 A 91 91 VAL CA C 91 60.525 60.416 0.109 1
1 1082 . 4 1 1 A 91 91 VAL CB C 91 34.308 34.524 -0.216 1
1 1085 . 4 1 1 A 91 91 VAL N N 91 121.165 123.642 -2.477 1
1 1086 . 4 1 1 A 92 92 GLY H H 92 8.941 8.207 0.734 1
1 1087 . 4 1 1 A 92 92 GLY HA2 H 92 4.571 4.310 0.261 1
1 1088 . 4 1 1 A 92 92 GLY HA3 H 92 3.581 4.312 -0.731 1
1 1089 . 4 1 1 A 92 92 GLY C C 92 171.577 171.740 -0.163 1
1 1090 . 4 1 1 A 92 92 GLY CA C 92 43.640 44.730 -1.090 1
1 1091 . 4 1 1 A 92 92 GLY N N 92 112.251 113.937 -1.686 1
1 1092 . 4 1 1 A 93 93 ALA H H 93 10.001 8.562 1.439 1
1 1093 . 4 1 1 A 93 93 ALA HA H 93 4.560 4.729 -0.169 1
1 1097 . 4 1 1 A 93 93 ALA C C 93 176.786 176.436 0.350 1
1 1098 . 4 1 1 A 93 93 ALA CA C 93 51.060 50.613 0.447 1
1 1099 . 4 1 1 A 93 93 ALA CB C 93 21.088 20.554 0.534 1
1 1100 . 4 1 1 A 93 93 ALA N N 93 126.200 124.504 1.696 1
1 1101 . 4 1 1 A 94 94 CYS H H 94 8.739 8.201 0.538 1
1 1102 . 4 1 1 A 94 94 CYS HA H 94 5.214 4.990 0.224 1
1 1105 . 4 1 1 A 94 94 CYS C C 94 174.087 173.169 0.918 1
1 1106 . 4 1 1 A 94 94 CYS CA C 94 57.088 57.217 -0.129 1
1 1107 . 4 1 1 A 94 94 CYS CB C 94 31.345 31.450 -0.105 1
1 1108 . 4 1 1 A 94 94 CYS N N 94 118.064 118.756 -0.692 1
1 1109 . 4 1 1 A 95 95 ASN H H 95 8.968 7.855 1.113 1
1 1110 . 4 1 1 A 95 95 ASN HA H 95 4.593 5.005 -0.412 1
1 1115 . 4 1 1 A 95 95 ASN C C 95 176.009 176.046 -0.037 1
1 1116 . 4 1 1 A 95 95 ASN CA C 95 52.981 50.623 2.358 1
1 1117 . 4 1 1 A 95 95 ASN CB C 95 39.336 40.016 -0.680 1
1 1118 . 4 1 1 A 95 95 ASN N N 95 121.604 120.126 1.478 1
1 1120 . 4 1 1 A 96 96 SER H H 96 8.483 8.923 -0.440 1
1 1121 . 4 1 1 A 96 96 SER HA H 96 4.085 4.101 -0.016 1
1 1124 . 4 1 1 A 96 96 SER C C 96 174.700 176.600 -1.900 1
1 1125 . 4 1 1 A 96 96 SER CA C 96 61.600 61.331 0.269 1
1 1126 . 4 1 1 A 96 96 SER CB C 96 62.794 62.687 0.107 1
1 1127 . 4 1 1 A 96 96 SER N N 96 113.664 114.958 -1.294 1
1 1128 . 4 1 1 A 97 97 ALA H H 97 8.187 7.574 0.613 1
1 1129 . 4 1 1 A 97 97 ALA HA H 97 4.357 4.062 0.295 1
1 1133 . 4 1 1 A 97 97 ALA C C 97 177.600 176.867 0.733 1
1 1134 . 4 1 1 A 97 97 ALA CA C 97 52.681 55.059 -2.378 1
1 1135 . 4 1 1 A 97 97 ALA CB C 97 19.192 19.113 0.079 1
1 1136 . 4 1 1 A 97 97 ALA N N 97 123.374 122.009 1.365 1
1 1137 . 4 1 1 A 98 98 GLY H H 98 7.800 7.927 -0.127 1
1 1138 . 4 1 1 A 98 98 GLY HA2 H 98 4.444 4.138 0.306 1
1 1139 . 4 1 1 A 98 98 GLY HA3 H 98 3.840 4.139 -0.299 1
1 1140 . 4 1 1 A 98 98 GLY C C 98 171.071 172.096 -1.025 1
1 1141 . 4 1 1 A 98 98 GLY CA C 98 44.809 43.840 0.969 1
1 1142 . 4 1 1 A 98 98 GLY N N 98 106.029 104.641 1.388 1
1 1143 . 4 1 1 A 99 99 CYS H H 99 8.399 8.846 -0.447 1
1 1144 . 4 1 1 A 99 99 CYS HA H 99 4.891 5.264 -0.373 1
1 1147 . 4 1 1 A 99 99 CYS C C 99 175.557 174.300 1.257 1
1 1148 . 4 1 1 A 99 99 CYS CA C 99 57.670 57.226 0.444 1
1 1149 . 4 1 1 A 99 99 CYS CB C 99 29.469 30.282 -0.813 1
1 1150 . 4 1 1 A 99 99 CYS N N 99 117.855 119.070 -1.215 1
1 1151 . 4 1 1 A 100 100 GLY H H 100 8.930 8.671 0.259 1
1 1152 . 4 1 1 A 100 100 GLY HA2 H 100 4.282 4.244 0.038 1
1 1153 . 4 1 1 A 100 100 GLY HA3 H 100 3.764 4.256 -0.492 1
1 1154 . 4 1 1 A 100 100 GLY C C 100 170.974 171.963 -0.989 1
1 1155 . 4 1 1 A 100 100 GLY CA C 100 45.578 43.858 1.720 1
1 1156 . 4 1 1 A 100 100 GLY N N 100 113.025 112.329 0.696 1
1 1157 . 4 1 1 A 101 101 PRO HA H 101 4.616 4.563 0.053 1
1 1164 . 4 1 1 A 101 101 PRO CA C 101 60.598 62.212 -1.614 1
1 1165 . 4 1 1 A 101 101 PRO CB C 101 30.874 32.021 -1.147 1
1 1168 . 4 1 1 A 102 102 PRO HA H 102 4.659 4.489 0.170 1
1 1175 . 4 1 1 A 102 102 PRO C C 102 178.078 176.523 1.555 1
1 1176 . 4 1 1 A 102 102 PRO CA C 102 62.111 62.432 -0.321 1
1 1177 . 4 1 1 A 102 102 PRO CB C 102 32.383 31.894 0.489 1
1 1180 . 4 1 1 A 103 103 SER H H 103 8.732 8.069 0.663 1
1 1181 . 4 1 1 A 103 103 SER HA H 103 4.222 4.639 -0.417 1
1 1184 . 4 1 1 A 103 103 SER C C 103 173.155 174.024 -0.869 1
1 1185 . 4 1 1 A 103 103 SER CA C 103 58.321 57.207 1.114 1
1 1186 . 4 1 1 A 103 103 SER CB C 103 65.815 65.224 0.591 1
1 1187 . 4 1 1 A 103 103 SER N N 103 113.387 114.805 -1.418 1
1 1188 . 4 1 1 A 104 104 ASP H H 104 8.248 8.647 -0.399 1
1 1189 . 4 1 1 A 104 104 ASP HA H 104 4.472 4.472 0.000 1
1 1192 . 4 1 1 A 104 104 ASP C C 104 176.703 176.670 0.033 1
1 1193 . 4 1 1 A 104 104 ASP CA C 104 55.573 55.085 0.488 1
1 1194 . 4 1 1 A 104 104 ASP CB C 104 40.583 41.296 -0.713 1
1 1195 . 4 1 1 A 104 104 ASP N N 104 119.021 121.330 -2.309 1
1 1196 . 4 1 1 A 105 105 MET H H 105 8.460 8.531 -0.071 1
1 1197 . 4 1 1 A 105 105 MET HA H 105 4.542 4.736 -0.194 1
1 1205 . 4 1 1 A 105 105 MET C C 105 175.687 175.167 0.520 1
1 1206 . 4 1 1 A 105 105 MET CA C 105 56.348 55.642 0.706 1
1 1207 . 4 1 1 A 105 105 MET CB C 105 33.610 33.336 0.274 1
1 1210 . 4 1 1 A 105 105 MET N N 105 124.915 122.152 2.763 1
1 1211 . 4 1 1 A 106 106 ILE H H 106 8.914 8.954 -0.040 1
1 1212 . 4 1 1 A 106 106 ILE HA H 106 4.571 4.986 -0.415 1
1 1222 . 4 1 1 A 106 106 ILE C C 106 173.498 175.698 -2.200 1
1 1223 . 4 1 1 A 106 106 ILE CA C 106 59.185 59.856 -0.671 1
1 1224 . 4 1 1 A 106 106 ILE CB C 106 40.786 40.362 0.424 1
1 1228 . 4 1 1 A 106 106 ILE N N 106 126.141 127.449 -1.308 1
1 1229 . 4 1 1 A 107 107 GLU H H 107 7.999 8.999 -1.000 1
1 1230 . 4 1 1 A 107 107 GLU HA H 107 5.373 4.962 0.411 1
1 1235 . 4 1 1 A 107 107 GLU C C 107 175.263 175.261 0.002 1
1 1236 . 4 1 1 A 107 107 GLU CA C 107 53.343 54.826 -1.483 1
1 1237 . 4 1 1 A 107 107 GLU CB C 107 32.951 32.650 0.301 1
1 1239 . 4 1 1 A 107 107 GLU N N 107 121.346 123.772 -2.426 1
1 1240 . 4 1 1 A 108 108 ALA H H 108 8.685 8.899 -0.214 1
1 1241 . 4 1 1 A 108 108 ALA HA H 108 4.549 5.541 -0.992 1
1 1245 . 4 1 1 A 108 108 ALA C C 108 174.431 175.815 -1.384 1
1 1246 . 4 1 1 A 108 108 ALA CA C 108 51.113 50.170 0.943 1
1 1247 . 4 1 1 A 108 108 ALA CB C 108 23.724 23.420 0.304 1
1 1248 . 4 1 1 A 108 108 ALA N N 108 123.009 123.515 -0.506 1
1 1249 . 4 1 1 A 109 109 PHE H H 109 8.519 9.098 -0.579 1
1 1250 . 4 1 1 A 109 109 PHE HA H 109 5.481 5.058 0.423 1
1 1258 . 4 1 1 A 109 109 PHE C C 109 177.604 175.771 1.833 1
1 1259 . 4 1 1 A 109 109 PHE CA C 109 55.854 56.461 -0.607 1
1 1260 . 4 1 1 A 109 109 PHE CB C 109 41.019 40.698 0.321 1
1 1266 . 4 1 1 A 109 109 PHE N N 109 119.997 117.861 2.136 1
1 1267 . 4 1 1 A 110 110 THR H H 110 8.839 8.946 -0.107 1
1 1268 . 4 1 1 A 110 110 THR HA H 110 4.103 4.393 -0.290 1
1 1273 . 4 1 1 A 110 110 THR C C 110 175.354 174.084 1.270 1
1 1274 . 4 1 1 A 110 110 THR CA C 110 61.763 61.783 -0.020 1
1 1275 . 4 1 1 A 110 110 THR CB C 110 69.356 70.809 -1.453 1
1 1277 . 4 1 1 A 110 110 THR N N 110 112.067 117.111 -5.044 1
1 1278 . 4 1 1 A 111 111 LYS H H 111 6.542 8.369 -1.827 1
1 1279 . 4 1 1 A 111 111 LYS HA H 111 4.208 4.671 -0.463 1
1 1288 . 4 1 1 A 111 111 LYS C C 111 176.693 176.769 -0.076 1
1 1289 . 4 1 1 A 111 111 LYS CA C 111 56.383 54.555 1.828 1
1 1290 . 4 1 1 A 111 111 LYS CB C 111 33.447 34.391 -0.944 1
1 1294 . 4 1 1 A 111 111 LYS N N 111 116.497 120.388 -3.891 1
1 1295 . 4 1 1 A 112 112 LYS H H 112 8.230 8.760 -0.530 1
1 1296 . 4 1 1 A 112 112 LYS HA H 112 4.143 4.321 -0.178 1
1 1304 . 4 1 1 A 112 112 LYS C C 112 176.823 177.509 -0.686 1
1 1305 . 4 1 1 A 112 112 LYS CA C 112 57.229 56.317 0.912 1
1 1306 . 4 1 1 A 112 112 LYS CB C 112 33.528 32.675 0.853 1
1 1310 . 4 1 1 A 112 112 LYS N N 112 118.783 120.202 -1.419 1
1 1311 . 4 1 1 A 113 113 ALA H H 113 8.762 8.931 -0.169 1
1 1312 . 4 1 1 A 113 113 ALA HA H 113 4.338 4.167 0.171 1
1 1316 . 4 1 1 A 113 113 ALA C C 113 177.688 178.029 -0.341 1
1 1317 . 4 1 1 A 113 113 ALA CA C 113 52.417 55.315 -2.898 1
1 1318 . 4 1 1 A 113 113 ALA CB C 113 19.272 18.585 0.687 1
1 1319 . 4 1 1 A 113 113 ALA N N 113 124.432 125.241 -0.809 1
1 1320 . 4 1 1 A 114 114 SER H H 114 8.386 7.831 0.555 1
1 1321 . 4 1 1 A 114 114 SER HA H 114 4.487 4.325 0.162 1
1 1324 . 4 1 1 A 114 114 SER C C 114 174.474 174.252 0.222 1
1 1325 . 4 1 1 A 114 114 SER CA C 114 58.063 58.713 -0.650 1
1 1326 . 4 1 1 A 114 114 SER CB C 114 64.012 64.312 -0.300 1
1 1327 . 4 1 1 A 114 114 SER N N 114 115.798 110.512 5.286 1
1 1328 . 4 1 1 A 115 115 GLY H H 115 8.278 8.543 -0.265 1
1 1329 . 4 1 1 A 115 115 GLY HA2 H 115 4.172 4.132 0.040 1
1 1330 . 4 1 1 A 115 115 GLY HA3 H 115 4.094 4.133 -0.039 1
1 1331 . 4 1 1 A 115 115 GLY C C 115 171.799 173.270 -1.471 1
1 1332 . 4 1 1 A 115 115 GLY CA C 115 44.662 44.402 0.260 1
1 1333 . 4 1 1 A 115 115 GLY N N 115 110.600 108.405 2.195 1
1 1334 . 4 1 1 A 116 116 PRO HA H 116 4.472 4.797 -0.325 1
1 1341 . 4 1 1 A 116 116 PRO C C 116 177.440 176.358 1.082 1
1 1342 . 4 1 1 A 116 116 PRO CA C 116 63.275 62.515 0.760 1
1 1343 . 4 1 1 A 116 116 PRO CB C 116 32.169 30.840 1.329 1
1 1346 . 4 1 1 A 117 117 SER HA H 117 4.505 4.461 0.044 1
1 1348 . 4 1 1 A 117 117 SER C C 117 174.652 175.581 -0.929 1
1 1349 . 4 1 1 A 117 117 SER CA C 117 58.393 58.259 0.134 1
1 1350 . 4 1 1 A 117 117 SER CB C 117 63.899 63.692 0.207 1
1 1351 . 4 1 1 A 117 117 SER N N 117 116.140 118.666 -2.526 1
1 1352 . 4 1 1 A 118 118 SER H H 118 8.314 8.627 -0.313 1
1 1353 . 4 1 1 A 118 118 SER HA H 118 4.494 4.191 0.303 1
1 1355 . 4 1 1 A 118 118 SER C C 118 173.938 175.440 -1.502 1
1 1356 . 4 1 1 A 118 118 SER CA C 118 58.428 59.889 -1.461 1
1 1357 . 4 1 1 A 118 118 SER CB C 118 63.929 64.058 -0.129 1
1 1358 . 4 1 1 A 118 118 SER N N 118 117.760 120.907 -3.147 1
1 6 . 5 1 1 A 4 4 GLY H H 4 8.507 8.400 0.107 1
1 7 . 5 1 1 A 4 4 GLY HA2 H 4 4.513 4.227 0.286 1
1 8 . 5 1 1 A 4 4 GLY HA3 H 4 3.859 4.227 -0.368 1
1 9 . 5 1 1 A 4 4 GLY CA C 4 44.199 45.728 -1.529 1
1 10 . 5 1 1 A 4 4 GLY N N 4 116.148 113.208 2.940 1
1 11 . 5 1 1 A 6 6 SER HA H 6 4.472 5.114 -0.642 1
1 13 . 5 1 1 A 6 6 SER C C 6 174.998 173.516 1.482 1
1 14 . 5 1 1 A 6 6 SER CA C 6 58.657 56.591 2.066 1
1 15 . 5 1 1 A 6 6 SER CB C 6 64.025 66.339 -2.314 1
1 16 . 5 1 1 A 7 7 GLY H H 7 8.399 8.238 0.161 1
1 17 . 5 1 1 A 7 7 GLY HA2 H 7 3.963 4.080 -0.117 1
1 18 . 5 1 1 A 7 7 GLY HA3 H 7 3.963 4.080 -0.117 1
1 19 . 5 1 1 A 7 7 GLY C C 7 173.942 174.159 -0.217 1
1 20 . 5 1 1 A 7 7 GLY CA C 7 45.332 46.063 -0.731 1
1 21 . 5 1 1 A 7 7 GLY N N 7 110.856 107.631 3.225 1
1 22 . 5 1 1 A 8 8 VAL H H 8 7.919 7.818 0.101 1
1 23 . 5 1 1 A 8 8 VAL HA H 8 4.101 4.119 -0.018 1
1 31 . 5 1 1 A 8 8 VAL C C 8 175.827 175.932 -0.105 1
1 32 . 5 1 1 A 8 8 VAL CA C 8 61.987 61.843 0.144 1
1 33 . 5 1 1 A 8 8 VAL CB C 8 32.786 32.430 0.356 1
1 36 . 5 1 1 A 8 8 VAL N N 8 119.305 118.942 0.363 1
1 37 . 5 1 1 A 9 9 ALA H H 9 8.367 8.880 -0.513 1
1 38 . 5 1 1 A 9 9 ALA HA H 9 4.329 5.048 -0.719 1
1 42 . 5 1 1 A 9 9 ALA C C 9 177.422 175.702 1.720 1
1 43 . 5 1 1 A 9 9 ALA CA C 9 52.399 51.385 1.014 1
1 44 . 5 1 1 A 9 9 ALA CB C 9 19.317 22.905 -3.588 1
1 45 . 5 1 1 A 9 9 ALA N N 9 128.175 126.969 1.206 1
1 46 . 5 1 1 A 10 10 VAL H H 10 8.154 8.712 -0.558 1
1 47 . 5 1 1 A 10 10 VAL HA H 10 4.046 4.292 -0.246 1
1 55 . 5 1 1 A 10 10 VAL C C 10 176.076 175.551 0.525 1
1 56 . 5 1 1 A 10 10 VAL CA C 10 62.288 63.087 -0.799 1
1 57 . 5 1 1 A 10 10 VAL CB C 10 32.786 31.647 1.139 1
1 60 . 5 1 1 A 10 10 VAL N N 10 120.641 122.770 -2.129 1
1 61 . 5 1 1 A 11 11 ILE H H 11 8.261 8.945 -0.684 1
1 62 . 5 1 1 A 11 11 ILE HA H 11 4.148 4.601 -0.453 1
1 72 . 5 1 1 A 11 11 ILE C C 11 175.857 175.587 0.270 1
1 73 . 5 1 1 A 11 11 ILE CA C 11 60.842 60.388 0.454 1
1 74 . 5 1 1 A 11 11 ILE CB C 11 38.776 39.746 -0.970 1
1 78 . 5 1 1 A 11 11 ILE N N 11 125.253 129.006 -3.753 1
1 79 . 5 1 1 A 12 12 ASN H H 12 8.575 8.796 -0.221 1
1 80 . 5 1 1 A 12 12 ASN HA H 12 4.737 4.530 0.207 1
1 85 . 5 1 1 A 12 12 ASN C C 12 175.004 176.018 -1.014 1
1 86 . 5 1 1 A 12 12 ASN CA C 12 53.087 54.305 -1.218 1
1 87 . 5 1 1 A 12 12 ASN CB C 12 39.076 38.456 0.620 1
1 88 . 5 1 1 A 12 12 ASN N N 12 123.538 127.344 -3.806 1
1 90 . 5 1 1 A 13 13 SER H H 13 8.317 8.836 -0.519 1
1 91 . 5 1 1 A 13 13 SER HA H 13 4.373 5.289 -0.916 1
1 94 . 5 1 1 A 13 13 SER C C 13 174.118 172.909 1.209 1
1 95 . 5 1 1 A 13 13 SER CA C 13 58.375 57.363 1.012 1
1 96 . 5 1 1 A 13 13 SER CB C 13 63.866 66.812 -2.946 1
1 97 . 5 1 1 A 13 13 SER N N 13 116.982 119.420 -2.438 1
1 98 . 5 1 1 A 14 14 ALA H H 14 8.317 8.506 -0.189 1
1 99 . 5 1 1 A 14 14 ALA HA H 14 4.285 4.885 -0.600 1
1 103 . 5 1 1 A 14 14 ALA C C 14 177.298 178.079 -0.781 1
1 104 . 5 1 1 A 14 14 ALA CA C 14 52.628 50.536 2.092 1
1 105 . 5 1 1 A 14 14 ALA CB C 14 19.192 22.526 -3.334 1
1 106 . 5 1 1 A 14 14 ALA N N 14 125.606 123.212 2.394 1
1 107 . 5 1 1 A 15 15 GLN H H 15 8.221 8.775 -0.554 1
1 108 . 5 1 1 A 15 15 GLN HA H 15 4.237 4.153 0.084 1
1 115 . 5 1 1 A 15 15 GLN C C 15 174.741 174.997 -0.256 1
1 116 . 5 1 1 A 15 15 GLN CA C 15 55.925 58.175 -2.250 1
1 117 . 5 1 1 A 15 15 GLN CB C 15 29.990 28.329 1.661 1
1 119 . 5 1 1 A 15 15 GLN N N 15 119.248 119.206 0.042 1
1 121 . 5 1 1 A 16 16 ASP H H 16 7.898 7.807 0.091 1
1 122 . 5 1 1 A 16 16 ASP HA H 16 4.714 5.083 -0.369 1
1 125 . 5 1 1 A 16 16 ASP C C 16 175.219 173.944 1.275 1
1 126 . 5 1 1 A 16 16 ASP CA C 16 53.387 53.140 0.247 1
1 127 . 5 1 1 A 16 16 ASP CB C 16 42.771 45.387 -2.616 1
1 128 . 5 1 1 A 16 16 ASP N N 16 119.674 117.654 2.020 1
1 129 . 5 1 1 A 17 17 ALA H H 17 8.256 8.266 -0.010 1
1 130 . 5 1 1 A 17 17 ALA HA H 17 4.549 4.749 -0.200 1
1 134 . 5 1 1 A 17 17 ALA C C 17 174.226 174.060 0.166 1
1 135 . 5 1 1 A 17 17 ALA CA C 17 50.514 50.339 0.175 1
1 136 . 5 1 1 A 17 17 ALA CB C 17 16.689 22.277 -5.588 1
1 137 . 5 1 1 A 17 17 ALA N N 17 123.830 120.880 2.950 1
1 138 . 5 1 1 A 18 18 PRO HA H 18 4.247 4.737 -0.490 1
1 145 . 5 1 1 A 18 18 PRO CA C 18 63.135 62.687 0.448 1
1 146 . 5 1 1 A 18 18 PRO CB C 18 31.866 31.871 -0.005 1
1 149 . 5 1 1 A 19 19 SER HA H 19 4.524 4.645 -0.121 1
1 152 . 5 1 1 A 19 19 SER C C 19 173.934 174.037 -0.103 1
1 153 . 5 1 1 A 19 19 SER CA C 19 58.657 57.781 0.876 1
1 154 . 5 1 1 A 19 19 SER CB C 19 65.246 64.526 0.720 1
1 155 . 5 1 1 A 20 20 GLU H H 20 7.589 7.564 0.025 1
1 156 . 5 1 1 A 20 20 GLU HA H 20 4.604 4.949 -0.345 1
1 161 . 5 1 1 A 20 20 GLU C C 20 175.082 174.488 0.594 1
1 162 . 5 1 1 A 20 20 GLU CA C 20 54.762 54.604 0.158 1
1 163 . 5 1 1 A 20 20 GLU CB C 20 33.405 33.469 -0.064 1
1 165 . 5 1 1 A 20 20 GLU N N 20 121.739 122.231 -0.492 1
1 166 . 5 1 1 A 21 21 ALA H H 21 8.564 8.946 -0.382 1
1 167 . 5 1 1 A 21 21 ALA HA H 21 4.995 4.899 0.096 1
1 171 . 5 1 1 A 21 21 ALA C C 21 175.731 175.001 0.730 1
1 172 . 5 1 1 A 21 21 ALA CA C 21 49.341 49.509 -0.168 1
1 173 . 5 1 1 A 21 21 ALA CB C 21 19.388 21.307 -1.919 1
1 174 . 5 1 1 A 21 21 ALA N N 21 125.054 127.254 -2.200 1
1 175 . 5 1 1 A 22 22 PRO HA H 22 4.529 4.901 -0.372 1
1 182 . 5 1 1 A 22 22 PRO C C 22 174.830 176.892 -2.062 1
1 183 . 5 1 1 A 22 22 PRO CA C 22 63.076 62.866 0.210 1
1 184 . 5 1 1 A 22 22 PRO CB C 22 32.294 32.057 0.237 1
1 187 . 5 1 1 A 23 23 THR H H 23 7.442 8.421 -0.979 1
1 188 . 5 1 1 A 23 23 THR HA H 23 4.663 4.638 0.025 1
1 193 . 5 1 1 A 23 23 THR C C 23 172.878 174.732 -1.854 1
1 194 . 5 1 1 A 23 23 THR CA C 23 59.961 61.478 -1.517 1
1 195 . 5 1 1 A 23 23 THR CB C 23 72.337 70.127 2.210 1
1 197 . 5 1 1 A 23 23 THR N N 23 109.039 117.835 -8.796 1
1 198 . 5 1 1 A 24 24 GLU H H 24 8.782 8.927 -0.145 1
1 199 . 5 1 1 A 24 24 GLU HA H 24 3.911 3.857 0.054 1
1 204 . 5 1 1 A 24 24 GLU C C 24 175.816 174.807 1.009 1
1 205 . 5 1 1 A 24 24 GLU CA C 24 56.172 57.235 -1.063 1
1 206 . 5 1 1 A 24 24 GLU CB C 24 27.761 27.829 -0.068 1
1 208 . 5 1 1 A 24 24 GLU N N 24 115.227 119.143 -3.916 1
1 209 . 5 1 1 A 25 25 VAL H H 25 8.030 7.988 0.042 1
1 210 . 5 1 1 A 25 25 VAL HA H 25 4.891 4.918 -0.027 1
1 218 . 5 1 1 A 25 25 VAL C C 25 177.065 174.958 2.107 1
1 219 . 5 1 1 A 25 25 VAL CA C 25 62.446 61.599 0.847 1
1 220 . 5 1 1 A 25 25 VAL CB C 25 31.471 32.901 -1.430 1
1 223 . 5 1 1 A 25 25 VAL N N 25 119.529 118.816 0.713 1
1 224 . 5 1 1 A 26 26 GLY H H 26 8.796 8.647 0.149 1
1 225 . 5 1 1 A 26 26 GLY HA2 H 26 4.420 4.414 0.006 1
1 226 . 5 1 1 A 26 26 GLY HA3 H 26 3.646 4.417 -0.771 1
1 227 . 5 1 1 A 26 26 GLY C C 26 170.874 173.022 -2.148 1
1 228 . 5 1 1 A 26 26 GLY CA C 26 44.468 44.648 -0.180 1
1 229 . 5 1 1 A 26 26 GLY N N 26 114.560 115.050 -0.490 1
1 230 . 5 1 1 A 27 27 VAL H H 27 8.332 8.728 -0.396 1
1 231 . 5 1 1 A 27 27 VAL HA H 27 5.508 5.103 0.405 1
1 239 . 5 1 1 A 27 27 VAL C C 27 175.652 173.722 1.930 1
1 240 . 5 1 1 A 27 27 VAL CA C 27 58.279 60.034 -1.755 1
1 241 . 5 1 1 A 27 27 VAL CB C 27 36.230 34.835 1.395 1
1 244 . 5 1 1 A 27 27 VAL N N 27 110.792 115.698 -4.906 1
1 245 . 5 1 1 A 28 28 LYS H H 28 9.143 9.413 -0.270 1
1 246 . 5 1 1 A 28 28 LYS HA H 28 4.550 5.078 -0.528 1
1 254 . 5 1 1 A 28 28 LYS C C 28 175.150 175.423 -0.273 1
1 255 . 5 1 1 A 28 28 LYS CA C 28 55.396 54.979 0.417 1
1 256 . 5 1 1 A 28 28 LYS CB C 28 35.134 35.265 -0.131 1
1 260 . 5 1 1 A 28 28 LYS N N 28 123.314 126.580 -3.266 1
1 261 . 5 1 1 A 29 29 VAL H H 29 9.190 8.995 0.195 1
1 262 . 5 1 1 A 29 29 VAL HA H 29 3.939 4.022 -0.083 1
1 270 . 5 1 1 A 29 29 VAL C C 29 176.162 175.570 0.592 1
1 271 . 5 1 1 A 29 29 VAL CA C 29 64.332 63.260 1.072 1
1 272 . 5 1 1 A 29 29 VAL CB C 29 31.417 31.853 -0.436 1
1 275 . 5 1 1 A 29 29 VAL N N 29 127.176 127.404 -0.228 1
1 276 . 5 1 1 A 30 30 LEU H H 30 8.108 8.840 -0.732 1
1 277 . 5 1 1 A 30 30 LEU HA H 30 4.375 4.410 -0.035 1
1 287 . 5 1 1 A 30 30 LEU C C 30 177.477 176.559 0.918 1
1 288 . 5 1 1 A 30 30 LEU CA C 30 55.886 55.839 0.047 1
1 289 . 5 1 1 A 30 30 LEU CB C 30 42.498 42.943 -0.445 1
1 293 . 5 1 1 A 30 30 LEU N N 30 128.053 128.768 -0.715 1
1 294 . 5 1 1 A 31 31 SER H H 31 8.152 7.693 0.459 1
1 295 . 5 1 1 A 31 31 SER HA H 31 4.748 4.795 -0.047 1
1 298 . 5 1 1 A 31 31 SER C C 31 173.427 174.493 -1.066 1
1 299 . 5 1 1 A 31 31 SER CA C 31 57.811 57.337 0.474 1
1 300 . 5 1 1 A 31 31 SER CB C 31 64.517 66.947 -2.430 1
1 301 . 5 1 1 A 31 31 SER N N 31 112.798 112.389 0.409 1
1 302 . 5 1 1 A 32 32 SER H H 32 8.450 8.794 -0.344 1
1 303 . 5 1 1 A 32 32 SER HA H 32 4.604 4.252 0.352 1
1 306 . 5 1 1 A 32 32 SER C C 32 172.423 174.565 -2.142 1
1 307 . 5 1 1 A 32 32 SER CA C 32 59.414 60.758 -1.344 1
1 308 . 5 1 1 A 32 32 SER CB C 32 63.903 63.070 0.833 1
1 309 . 5 1 1 A 32 32 SER N N 32 112.687 117.587 -4.900 1
1 310 . 5 1 1 A 33 33 SER H H 33 8.355 7.897 0.458 1
1 311 . 5 1 1 A 33 33 SER HA H 33 4.759 4.598 0.161 1
1 314 . 5 1 1 A 33 33 SER C C 33 173.940 173.491 0.449 1
1 315 . 5 1 1 A 33 33 SER CA C 33 57.229 57.025 0.204 1
1 316 . 5 1 1 A 33 33 SER CB C 33 66.786 63.729 3.057 1
1 317 . 5 1 1 A 33 33 SER N N 33 109.767 112.262 -2.495 1
1 318 . 5 1 1 A 34 34 GLU H H 34 6.978 7.701 -0.723 1
1 319 . 5 1 1 A 34 34 GLU HA H 34 5.487 5.098 0.389 1
1 324 . 5 1 1 A 34 34 GLU C C 34 175.294 174.761 0.533 1
1 325 . 5 1 1 A 34 34 GLU CA C 34 55.130 55.310 -0.180 1
1 326 . 5 1 1 A 34 34 GLU CB C 34 35.711 33.392 2.319 1
1 328 . 5 1 1 A 34 34 GLU N N 34 119.009 120.656 -1.647 1
1 329 . 5 1 1 A 35 35 ILE H H 35 8.190 8.436 -0.246 1
1 330 . 5 1 1 A 35 35 ILE HA H 35 4.477 4.769 -0.292 1
1 340 . 5 1 1 A 35 35 ILE C C 35 173.681 174.629 -0.948 1
1 341 . 5 1 1 A 35 35 ILE CA C 35 60.203 60.166 0.037 1
1 342 . 5 1 1 A 35 35 ILE CB C 35 43.791 41.497 2.294 1
1 346 . 5 1 1 A 35 35 ILE N N 35 120.691 123.331 -2.640 1
1 347 . 5 1 1 A 36 36 SER H H 36 9.269 8.993 0.276 1
1 348 . 5 1 1 A 36 36 SER HA H 36 5.300 5.275 0.025 1
1 351 . 5 1 1 A 36 36 SER C C 36 172.945 173.148 -0.203 1
1 352 . 5 1 1 A 36 36 SER CA C 36 56.549 58.118 -1.569 1
1 353 . 5 1 1 A 36 36 SER CB C 36 64.591 64.597 -0.006 1
1 354 . 5 1 1 A 36 36 SER N N 36 120.471 124.342 -3.871 1
1 355 . 5 1 1 A 37 37 VAL H H 37 9.000 8.547 0.453 1
1 356 . 5 1 1 A 37 37 VAL HA H 37 4.902 4.964 -0.062 1
1 364 . 5 1 1 A 37 37 VAL C C 37 173.530 174.872 -1.342 1
1 365 . 5 1 1 A 37 37 VAL CA C 37 60.261 61.007 -0.746 1
1 366 . 5 1 1 A 37 37 VAL CB C 37 35.001 35.021 -0.020 1
1 369 . 5 1 1 A 37 37 VAL N N 37 127.009 124.613 2.396 1
1 370 . 5 1 1 A 38 38 HIS H H 38 8.779 8.892 -0.113 1
1 371 . 5 1 1 A 38 38 HIS HA H 38 5.238 5.254 -0.016 1
1 376 . 5 1 1 A 38 38 HIS C C 38 173.545 174.765 -1.220 1
1 377 . 5 1 1 A 38 38 HIS CA C 38 54.991 54.367 0.624 1
1 378 . 5 1 1 A 38 38 HIS CB C 38 32.564 33.211 -0.647 1
1 381 . 5 1 1 A 38 38 HIS N N 38 123.115 124.959 -1.844 1
1 382 . 5 1 1 A 39 39 TRP H H 39 7.682 8.530 -0.848 1
1 383 . 5 1 1 A 39 39 TRP HA H 39 5.044 5.194 -0.150 1
1 392 . 5 1 1 A 39 39 TRP C C 39 173.585 172.942 0.643 1
1 393 . 5 1 1 A 39 39 TRP CA C 39 57.170 55.602 1.568 1
1 394 . 5 1 1 A 39 39 TRP CB C 39 31.554 31.541 0.013 1
1 400 . 5 1 1 A 39 39 TRP N N 39 116.447 119.347 -2.900 1
1 402 . 5 1 1 A 40 40 GLU H H 40 8.522 8.613 -0.091 1
1 403 . 5 1 1 A 40 40 GLU HA H 40 4.619 4.762 -0.143 1
1 408 . 5 1 1 A 40 40 GLU C C 40 177.186 177.003 0.183 1
1 409 . 5 1 1 A 40 40 GLU CA C 40 54.356 55.084 -0.728 1
1 410 . 5 1 1 A 40 40 GLU CB C 40 30.344 31.342 -0.998 1
1 412 . 5 1 1 A 40 40 GLU N N 40 117.208 120.960 -3.752 1
1 413 . 5 1 1 A 41 41 HIS H H 41 8.477 8.693 -0.216 1
1 414 . 5 1 1 A 41 41 HIS HA H 41 4.748 4.743 0.005 1
1 419 . 5 1 1 A 41 41 HIS C C 41 177.474 176.046 1.428 1
1 420 . 5 1 1 A 41 41 HIS CA C 41 54.779 57.000 -2.221 1
1 421 . 5 1 1 A 41 41 HIS CB C 41 31.140 30.259 0.881 1
1 424 . 5 1 1 A 41 41 HIS N N 41 119.083 124.176 -5.093 1
1 425 . 5 1 1 A 42 42 VAL H H 42 7.680 8.421 -0.741 1
1 426 . 5 1 1 A 42 42 VAL HA H 42 4.428 4.379 0.049 1
1 434 . 5 1 1 A 42 42 VAL C C 42 175.401 177.206 -1.805 1
1 435 . 5 1 1 A 42 42 VAL CA C 42 60.878 61.764 -0.886 1
1 436 . 5 1 1 A 42 42 VAL CB C 42 32.216 33.695 -1.479 1
1 439 . 5 1 1 A 42 42 VAL N N 42 114.975 123.299 -8.324 1
1 440 . 5 1 1 A 43 43 LEU H H 43 9.107 8.740 0.367 1
1 441 . 5 1 1 A 43 43 LEU HA H 43 4.303 4.158 0.145 1
1 451 . 5 1 1 A 43 43 LEU C C 43 178.603 177.266 1.337 1
1 452 . 5 1 1 A 43 43 LEU CA C 43 55.872 57.142 -1.270 1
1 453 . 5 1 1 A 43 43 LEU CB C 43 41.684 41.842 -0.158 1
1 457 . 5 1 1 A 43 43 LEU N N 43 123.877 120.130 3.747 1
1 458 . 5 1 1 A 44 44 GLU H H 44 7.988 7.699 0.289 1
1 459 . 5 1 1 A 44 44 GLU HA H 44 4.152 4.483 -0.331 1
1 464 . 5 1 1 A 44 44 GLU C C 44 177.236 176.568 0.668 1
1 465 . 5 1 1 A 44 44 GLU CA C 44 57.282 55.943 1.339 1
1 466 . 5 1 1 A 44 44 GLU CB C 44 31.033 29.983 1.050 1
1 468 . 5 1 1 A 44 44 GLU N N 44 119.655 121.346 -1.691 1
1 469 . 5 1 1 A 45 45 LYS H H 45 8.596 8.971 -0.375 1
1 470 . 5 1 1 A 45 45 LYS HA H 45 4.295 4.351 -0.056 1
1 479 . 5 1 1 A 45 45 LYS C C 45 177.258 178.238 -0.980 1
1 480 . 5 1 1 A 45 45 LYS CA C 45 57.170 57.261 -0.091 1
1 481 . 5 1 1 A 45 45 LYS CB C 45 32.204 32.504 -0.300 1
1 485 . 5 1 1 A 45 45 LYS N N 45 120.518 126.521 -6.003 1
1 486 . 5 1 1 A 46 46 ILE H H 46 7.212 7.759 -0.547 1
1 487 . 5 1 1 A 46 46 ILE HA H 46 4.371 4.053 0.318 1
1 497 . 5 1 1 A 46 46 ILE C C 46 175.191 176.284 -1.093 1
1 498 . 5 1 1 A 46 46 ILE CA C 46 60.666 63.842 -3.176 1
1 499 . 5 1 1 A 46 46 ILE CB C 46 37.531 37.377 0.154 1
1 503 . 5 1 1 A 46 46 ILE N N 46 111.434 114.028 -2.594 1
1 504 . 5 1 1 A 47 47 VAL H H 47 7.378 7.249 0.129 1
1 505 . 5 1 1 A 47 47 VAL HA H 47 3.658 3.868 -0.210 1
1 513 . 5 1 1 A 47 47 VAL C C 47 175.157 175.820 -0.663 1
1 514 . 5 1 1 A 47 47 VAL CA C 47 63.521 62.280 1.241 1
1 515 . 5 1 1 A 47 47 VAL CB C 47 33.570 32.211 1.359 1
1 518 . 5 1 1 A 47 47 VAL N N 47 122.780 122.077 0.703 1
1 519 . 5 1 1 A 48 48 GLU H H 48 8.733 8.827 -0.094 1
1 520 . 5 1 1 A 48 48 GLU HA H 48 4.615 4.265 0.350 1
1 525 . 5 1 1 A 48 48 GLU C C 48 176.241 176.556 -0.315 1
1 526 . 5 1 1 A 48 48 GLU CA C 48 56.701 58.592 -1.891 1
1 527 . 5 1 1 A 48 48 GLU CB C 48 32.966 30.753 2.213 1
1 529 . 5 1 1 A 48 48 GLU N N 48 124.835 125.243 -0.408 1
1 530 . 5 1 1 A 49 49 SER H H 49 8.130 7.340 0.790 1
1 531 . 5 1 1 A 49 49 SER HA H 49 4.726 4.785 -0.059 1
1 534 . 5 1 1 A 49 49 SER C C 49 171.371 171.559 -0.188 1
1 535 . 5 1 1 A 49 49 SER CA C 49 57.440 57.574 -0.134 1
1 536 . 5 1 1 A 49 49 SER CB C 49 66.073 65.355 0.718 1
1 537 . 5 1 1 A 49 49 SER N N 49 114.231 110.588 3.643 1
1 538 . 5 1 1 A 50 50 TYR H H 50 8.681 8.787 -0.106 1
1 539 . 5 1 1 A 50 50 TYR HA H 50 5.057 5.047 0.010 1
1 546 . 5 1 1 A 50 50 TYR C C 50 174.034 174.786 -0.752 1
1 547 . 5 1 1 A 50 50 TYR CA C 50 57.434 56.372 1.062 1
1 548 . 5 1 1 A 50 50 TYR CB C 50 41.437 40.685 0.752 1
1 553 . 5 1 1 A 50 50 TYR N N 50 115.301 121.781 -6.480 1
1 554 . 5 1 1 A 51 51 GLN H H 51 9.200 8.894 0.306 1
1 555 . 5 1 1 A 51 51 GLN HA H 51 5.144 4.953 0.191 1
1 562 . 5 1 1 A 51 51 GLN C C 51 173.878 174.437 -0.559 1
1 563 . 5 1 1 A 51 51 GLN CA C 51 53.669 54.436 -0.767 1
1 564 . 5 1 1 A 51 51 GLN CB C 51 32.783 30.758 2.025 1
1 566 . 5 1 1 A 51 51 GLN N N 51 119.842 120.552 -0.710 1
1 568 . 5 1 1 A 52 52 ILE H H 52 9.441 9.034 0.407 1
1 569 . 5 1 1 A 52 52 ILE HA H 52 4.803 4.674 0.129 1
1 579 . 5 1 1 A 52 52 ILE C C 52 174.953 174.839 0.114 1
1 580 . 5 1 1 A 52 52 ILE CA C 52 61.054 60.511 0.543 1
1 581 . 5 1 1 A 52 52 ILE CB C 52 39.108 37.720 1.388 1
1 585 . 5 1 1 A 52 52 ILE N N 52 128.547 125.872 2.675 1
1 586 . 5 1 1 A 53 53 ARG H H 53 9.169 8.596 0.573 1
1 587 . 5 1 1 A 53 53 ARG HA H 53 5.628 5.064 0.564 1
1 594 . 5 1 1 A 53 53 ARG C C 53 174.869 176.088 -1.219 1
1 595 . 5 1 1 A 53 53 ARG CA C 53 54.479 56.321 -1.842 1
1 596 . 5 1 1 A 53 53 ARG CB C 53 33.942 30.652 3.290 1
1 599 . 5 1 1 A 53 53 ARG N N 53 127.779 129.476 -1.697 1
1 600 . 5 1 1 A 54 54 TYR H H 54 8.671 8.823 -0.152 1
1 601 . 5 1 1 A 54 54 TYR HA H 54 6.310 6.455 -0.145 1
1 608 . 5 1 1 A 54 54 TYR C C 54 173.965 174.111 -0.146 1
1 609 . 5 1 1 A 54 54 TYR CA C 54 55.291 55.637 -0.346 1
1 610 . 5 1 1 A 54 54 TYR CB C 54 41.930 42.446 -0.516 1
1 615 . 5 1 1 A 54 54 TYR N N 54 117.929 123.234 -5.305 1
1 616 . 5 1 1 A 55 55 TRP H H 55 8.928 8.445 0.483 1
1 617 . 5 1 1 A 55 55 TRP HA H 55 5.054 5.121 -0.067 1
1 626 . 5 1 1 A 55 55 TRP C C 55 172.613 174.589 -1.976 1
1 627 . 5 1 1 A 55 55 TRP CA C 55 56.577 56.224 0.353 1
1 628 . 5 1 1 A 55 55 TRP CB C 55 32.118 31.477 0.641 1
1 634 . 5 1 1 A 55 55 TRP N N 55 121.459 119.274 2.185 1
1 636 . 5 1 1 A 56 56 ALA H H 56 8.870 7.953 0.917 1
1 637 . 5 1 1 A 56 56 ALA HA H 56 4.053 3.795 0.258 1
1 641 . 5 1 1 A 56 56 ALA C C 56 179.868 178.188 1.680 1
1 642 . 5 1 1 A 56 56 ALA CA C 56 50.478 51.992 -1.514 1
1 643 . 5 1 1 A 56 56 ALA CB C 56 19.108 19.087 0.021 1
1 644 . 5 1 1 A 56 56 ALA N N 56 124.214 123.682 0.532 1
1 645 . 5 1 1 A 57 57 ALA H H 57 8.147 8.664 -0.517 1
1 646 . 5 1 1 A 57 57 ALA HA H 57 3.913 4.117 -0.204 1
1 650 . 5 1 1 A 57 57 ALA C C 57 178.479 180.040 -1.561 1
1 651 . 5 1 1 A 57 57 ALA CA C 57 54.832 55.431 -0.599 1
1 652 . 5 1 1 A 57 57 ALA CB C 57 19.317 18.080 1.237 1
1 653 . 5 1 1 A 57 57 ALA N N 57 120.999 123.334 -2.335 1
1 654 . 5 1 1 A 58 58 HIS H H 58 7.274 8.031 -0.757 1
1 655 . 5 1 1 A 58 58 HIS HA H 58 4.605 4.293 0.312 1
1 660 . 5 1 1 A 58 58 HIS C C 58 175.349 175.611 -0.262 1
1 661 . 5 1 1 A 58 58 HIS CA C 58 56.066 59.170 -3.104 1
1 662 . 5 1 1 A 58 58 HIS CB C 58 29.780 28.752 1.028 1
1 665 . 5 1 1 A 58 58 HIS N N 58 109.961 115.194 -5.233 1
1 666 . 5 1 1 A 59 59 ASP H H 59 7.945 7.207 0.738 1
1 667 . 5 1 1 A 59 59 ASP HA H 59 4.869 4.632 0.237 1
1 670 . 5 1 1 A 59 59 ASP C C 59 175.895 175.746 0.149 1
1 671 . 5 1 1 A 59 59 ASP CA C 59 53.898 54.890 -0.992 1
1 672 . 5 1 1 A 59 59 ASP CB C 59 42.385 41.395 0.990 1
1 673 . 5 1 1 A 59 59 ASP N N 59 123.825 120.744 3.081 1
1 674 . 5 1 1 A 60 60 LYS H H 60 8.147 8.537 -0.390 1
1 675 . 5 1 1 A 60 60 LYS HA H 60 4.197 4.683 -0.486 1
1 682 . 5 1 1 A 60 60 LYS C C 60 177.212 177.101 0.111 1
1 683 . 5 1 1 A 60 60 LYS CA C 60 56.121 54.629 1.492 1
1 684 . 5 1 1 A 60 60 LYS CB C 60 32.951 34.670 -1.719 1
1 688 . 5 1 1 A 60 60 LYS N N 60 117.803 119.882 -2.079 1
1 689 . 5 1 1 A 61 61 GLU H H 61 8.381 8.764 -0.383 1
1 690 . 5 1 1 A 61 61 GLU HA H 61 2.603 3.337 -0.734 1
1 695 . 5 1 1 A 61 61 GLU C C 61 178.058 178.523 -0.465 1
1 696 . 5 1 1 A 61 61 GLU CA C 61 58.622 58.795 -0.173 1
1 697 . 5 1 1 A 61 61 GLU CB C 61 28.709 28.757 -0.048 1
1 699 . 5 1 1 A 61 61 GLU N N 61 122.310 121.763 0.547 1
1 700 . 5 1 1 A 62 62 GLU H H 62 8.470 8.684 -0.214 1
1 701 . 5 1 1 A 62 62 GLU HA H 62 3.919 3.960 -0.041 1
1 706 . 5 1 1 A 62 62 GLU C C 62 176.293 177.541 -1.248 1
1 707 . 5 1 1 A 62 62 GLU CA C 62 57.899 59.250 -1.351 1
1 708 . 5 1 1 A 62 62 GLU CB C 62 28.796 29.114 -0.318 1
1 710 . 5 1 1 A 62 62 GLU N N 62 117.600 118.605 -1.005 1
1 711 . 5 1 1 A 63 63 ALA H H 63 7.760 7.439 0.321 1
1 712 . 5 1 1 A 63 63 ALA HA H 63 4.443 4.350 0.093 1
1 716 . 5 1 1 A 63 63 ALA C C 63 176.867 177.084 -0.217 1
1 717 . 5 1 1 A 63 63 ALA CA C 63 51.095 51.691 -0.596 1
1 718 . 5 1 1 A 63 63 ALA CB C 63 18.845 19.147 -0.302 1
1 719 . 5 1 1 A 63 63 ALA N N 63 123.067 120.115 2.952 1
1 720 . 5 1 1 A 64 64 ALA H H 64 7.389 7.110 0.279 1
1 721 . 5 1 1 A 64 64 ALA HA H 64 4.175 4.294 -0.119 1
1 725 . 5 1 1 A 64 64 ALA C C 64 177.784 177.223 0.561 1
1 726 . 5 1 1 A 64 64 ALA CA C 64 53.099 51.227 1.872 1
1 727 . 5 1 1 A 64 64 ALA CB C 64 19.784 19.466 0.318 1
1 728 . 5 1 1 A 64 64 ALA N N 64 121.409 121.389 0.020 1
1 729 . 5 1 1 A 65 65 ASN H H 65 8.152 7.841 0.311 1
1 730 . 5 1 1 A 65 65 ASN HA H 65 4.714 5.120 -0.406 1
1 735 . 5 1 1 A 65 65 ASN C C 65 173.533 174.480 -0.947 1
1 736 . 5 1 1 A 65 65 ASN CA C 65 52.523 52.502 0.021 1
1 737 . 5 1 1 A 65 65 ASN CB C 65 40.739 40.066 0.673 1
1 738 . 5 1 1 A 65 65 ASN N N 65 119.620 119.668 -0.048 1
1 740 . 5 1 1 A 66 66 ARG H H 66 8.366 8.477 -0.111 1
1 741 . 5 1 1 A 66 66 ARG HA H 66 5.760 5.349 0.411 1
1 748 . 5 1 1 A 66 66 ARG C C 66 175.946 175.115 0.831 1
1 749 . 5 1 1 A 66 66 ARG CA C 66 54.902 54.224 0.678 1
1 750 . 5 1 1 A 66 66 ARG CB C 66 34.116 34.383 -0.267 1
1 753 . 5 1 1 A 66 66 ARG N N 66 116.911 118.994 -2.083 1
1 754 . 5 1 1 A 67 67 VAL H H 67 9.057 8.842 0.215 1
1 755 . 5 1 1 A 67 67 VAL HA H 67 4.520 4.611 -0.091 1
1 763 . 5 1 1 A 67 67 VAL C C 67 173.731 174.400 -0.669 1
1 764 . 5 1 1 A 67 67 VAL CA C 67 60.845 61.578 -0.733 1
1 765 . 5 1 1 A 67 67 VAL CB C 67 35.917 32.902 3.015 1
1 768 . 5 1 1 A 67 67 VAL N N 67 122.047 123.527 -1.480 1
1 769 . 5 1 1 A 68 68 GLN H H 68 8.741 9.150 -0.409 1
1 770 . 5 1 1 A 68 68 GLN HA H 68 5.543 5.108 0.435 1
1 777 . 5 1 1 A 68 68 GLN C C 68 175.452 175.688 -0.236 1
1 778 . 5 1 1 A 68 68 GLN CA C 68 54.462 55.009 -0.547 1
1 779 . 5 1 1 A 68 68 GLN CB C 68 32.087 30.100 1.987 1
1 781 . 5 1 1 A 68 68 GLN N N 68 124.250 128.050 -3.800 1
1 783 . 5 1 1 A 69 69 VAL H H 69 8.912 8.647 0.265 1
1 784 . 5 1 1 A 69 69 VAL HA H 69 5.012 4.846 0.166 1
1 792 . 5 1 1 A 69 69 VAL C C 69 175.870 174.567 1.303 1
1 793 . 5 1 1 A 69 69 VAL CA C 69 59.045 58.873 0.172 1
1 794 . 5 1 1 A 69 69 VAL CB C 69 35.106 35.810 -0.704 1
1 797 . 5 1 1 A 69 69 VAL N N 69 117.045 119.863 -2.818 1
1 798 . 5 1 1 A 70 70 THR H H 70 8.491 8.496 -0.005 1
1 799 . 5 1 1 A 70 70 THR HA H 70 4.585 4.415 0.170 1
1 804 . 5 1 1 A 70 70 THR C C 70 175.015 175.710 -0.695 1
1 805 . 5 1 1 A 70 70 THR CA C 70 62.917 62.707 0.210 1
1 806 . 5 1 1 A 70 70 THR CB C 70 70.767 69.152 1.615 1
1 808 . 5 1 1 A 70 70 THR N N 70 111.495 118.448 -6.953 1
1 809 . 5 1 1 A 71 71 SER H H 71 7.522 9.062 -1.540 1
1 810 . 5 1 1 A 71 71 SER HA H 71 4.148 4.673 -0.525 1
1 813 . 5 1 1 A 71 71 SER C C 71 174.340 175.273 -0.933 1
1 814 . 5 1 1 A 71 71 SER CA C 71 59.749 60.288 -0.539 1
1 815 . 5 1 1 A 71 71 SER CB C 71 63.060 63.056 0.004 1
1 816 . 5 1 1 A 71 71 SER N N 71 111.553 121.934 -10.381 1
1 817 . 5 1 1 A 72 72 GLN H H 72 7.718 8.026 -0.308 1
1 818 . 5 1 1 A 72 72 GLN HA H 72 4.428 4.451 -0.023 1
1 823 . 5 1 1 A 72 72 GLN C C 72 176.456 175.924 0.532 1
1 824 . 5 1 1 A 72 72 GLN CA C 72 56.630 56.138 0.492 1
1 825 . 5 1 1 A 72 72 GLN CB C 72 29.373 28.983 0.390 1
1 827 . 5 1 1 A 72 72 GLN N N 72 117.502 119.038 -1.536 1
1 829 . 5 1 1 A 73 73 GLU H H 73 7.650 7.625 0.025 1
1 830 . 5 1 1 A 73 73 GLU HA H 73 4.408 4.523 -0.115 1
1 835 . 5 1 1 A 73 73 GLU C C 73 176.484 176.046 0.438 1
1 836 . 5 1 1 A 73 73 GLU CA C 73 56.472 56.014 0.458 1
1 837 . 5 1 1 A 73 73 GLU CB C 73 31.962 30.167 1.795 1
1 839 . 5 1 1 A 73 73 GLU N N 73 119.175 119.607 -0.432 1
1 840 . 5 1 1 A 74 74 TYR H H 74 8.615 8.738 -0.123 1
1 841 . 5 1 1 A 74 74 TYR HA H 74 3.427 3.960 -0.533 1
1 848 . 5 1 1 A 74 74 TYR C C 74 171.853 174.996 -3.143 1
1 849 . 5 1 1 A 74 74 TYR CA C 74 56.565 58.359 -1.794 1
1 850 . 5 1 1 A 74 74 TYR CB C 74 39.410 38.219 1.191 1
1 855 . 5 1 1 A 74 74 TYR N N 74 118.997 125.066 -6.069 1
1 856 . 5 1 1 A 75 75 SER H H 75 6.801 7.306 -0.505 1
1 857 . 5 1 1 A 75 75 SER HA H 75 5.001 4.253 0.748 1
1 860 . 5 1 1 A 75 75 SER C C 75 172.976 172.267 0.709 1
1 861 . 5 1 1 A 75 75 SER CA C 75 56.154 57.130 -0.976 1
1 862 . 5 1 1 A 75 75 SER CB C 75 66.541 65.299 1.242 1
1 863 . 5 1 1 A 75 75 SER N N 75 109.803 111.965 -2.162 1
1 864 . 5 1 1 A 76 76 ALA H H 76 8.897 9.113 -0.216 1
1 865 . 5 1 1 A 76 76 ALA HA H 76 4.604 4.859 -0.255 1
1 869 . 5 1 1 A 76 76 ALA C C 76 174.777 175.259 -0.482 1
1 870 . 5 1 1 A 76 76 ALA CA C 76 51.359 51.161 0.198 1
1 871 . 5 1 1 A 76 76 ALA CB C 76 23.140 24.058 -0.918 1
1 872 . 5 1 1 A 76 76 ALA N N 76 120.416 122.788 -2.372 1
1 873 . 5 1 1 A 77 77 ARG H H 77 8.529 8.600 -0.071 1
1 874 . 5 1 1 A 77 77 ARG HA H 77 4.681 4.892 -0.211 1
1 881 . 5 1 1 A 77 77 ARG C C 77 174.533 173.722 0.811 1
1 882 . 5 1 1 A 77 77 ARG CA C 77 54.973 54.824 0.149 1
1 883 . 5 1 1 A 77 77 ARG CB C 77 31.839 34.339 -2.500 1
1 886 . 5 1 1 A 77 77 ARG N N 77 121.172 119.054 2.118 1
1 887 . 5 1 1 A 78 78 LEU H H 78 9.089 8.823 0.266 1
1 888 . 5 1 1 A 78 78 LEU HA H 78 4.396 5.023 -0.627 1
1 898 . 5 1 1 A 78 78 LEU C C 78 175.107 175.255 -0.148 1
1 899 . 5 1 1 A 78 78 LEU CA C 78 53.333 53.179 0.154 1
1 900 . 5 1 1 A 78 78 LEU CB C 78 41.272 45.327 -4.055 1
1 904 . 5 1 1 A 78 78 LEU N N 78 126.698 126.759 -0.061 1
1 905 . 5 1 1 A 79 79 GLU H H 79 8.239 8.636 -0.397 1
1 906 . 5 1 1 A 79 79 GLU HA H 79 5.034 4.998 0.036 1
1 911 . 5 1 1 A 79 79 GLU C C 79 174.792 175.488 -0.696 1
1 912 . 5 1 1 A 79 79 GLU CA C 79 54.056 54.467 -0.411 1
1 913 . 5 1 1 A 79 79 GLU CB C 79 33.692 33.039 0.653 1
1 915 . 5 1 1 A 79 79 GLU N N 79 119.147 120.586 -1.439 1
1 916 . 5 1 1 A 80 80 ASN H H 80 9.068 8.688 0.380 1
1 917 . 5 1 1 A 80 80 ASN HA H 80 4.303 4.258 0.045 1
1 922 . 5 1 1 A 80 80 ASN C C 80 174.823 174.271 0.552 1
1 923 . 5 1 1 A 80 80 ASN CA C 80 54.462 54.190 0.272 1
1 924 . 5 1 1 A 80 80 ASN CB C 80 37.359 37.232 0.127 1
1 925 . 5 1 1 A 80 80 ASN N N 80 113.324 116.257 -2.933 1
1 927 . 5 1 1 A 81 81 LEU H H 81 8.671 7.632 1.039 1
1 928 . 5 1 1 A 81 81 LEU HA H 81 4.252 4.698 -0.446 1
1 938 . 5 1 1 A 81 81 LEU C C 81 175.804 175.871 -0.067 1
1 939 . 5 1 1 A 81 81 LEU CA C 81 53.841 53.163 0.678 1
1 940 . 5 1 1 A 81 81 LEU CB C 81 40.891 43.555 -2.664 1
1 944 . 5 1 1 A 81 81 LEU N N 81 117.886 118.887 -1.001 1
1 945 . 5 1 1 A 82 82 LEU H H 82 8.448 9.102 -0.654 1
1 946 . 5 1 1 A 82 82 LEU HA H 82 4.600 4.791 -0.191 1
1 956 . 5 1 1 A 82 82 LEU C C 82 175.149 175.051 0.098 1
1 957 . 5 1 1 A 82 82 LEU CA C 82 52.629 52.932 -0.303 1
1 958 . 5 1 1 A 82 82 LEU CB C 82 42.449 41.467 0.982 1
1 962 . 5 1 1 A 82 82 LEU N N 82 121.118 122.403 -1.285 1
1 963 . 5 1 1 A 83 83 PRO HA H 83 5.237 4.367 0.870 1
1 970 . 5 1 1 A 83 83 PRO C C 83 178.145 177.296 0.849 1
1 971 . 5 1 1 A 83 83 PRO CA C 83 62.472 63.504 -1.032 1
1 972 . 5 1 1 A 83 83 PRO CB C 83 33.232 32.041 1.191 1
1 975 . 5 1 1 A 84 84 ASP H H 84 7.943 9.000 -1.057 1
1 976 . 5 1 1 A 84 84 ASP HA H 84 4.208 4.449 -0.241 1
1 979 . 5 1 1 A 84 84 ASP C C 84 174.476 174.683 -0.207 1
1 980 . 5 1 1 A 84 84 ASP CA C 84 54.250 55.124 -0.874 1
1 981 . 5 1 1 A 84 84 ASP CB C 84 41.568 39.643 1.925 1
1 982 . 5 1 1 A 84 84 ASP N N 84 126.496 121.712 4.784 1
1 983 . 5 1 1 A 85 85 THR H H 85 8.261 7.823 0.438 1
1 984 . 5 1 1 A 85 85 THR HA H 85 4.381 4.655 -0.274 1
1 989 . 5 1 1 A 85 85 THR C C 85 170.639 172.858 -2.219 1
1 990 . 5 1 1 A 85 85 THR CA C 85 62.951 60.872 2.079 1
1 991 . 5 1 1 A 85 85 THR CB C 85 72.217 72.160 0.057 1
1 993 . 5 1 1 A 85 85 THR N N 85 114.015 112.408 1.607 1
1 994 . 5 1 1 A 86 86 GLN H H 86 8.221 8.402 -0.181 1
1 995 . 5 1 1 A 86 86 GLN HA H 86 3.664 4.241 -0.577 1
1 1002 . 5 1 1 A 86 86 GLN C C 86 172.890 173.954 -1.064 1
1 1003 . 5 1 1 A 86 86 GLN CA C 86 54.585 55.067 -0.482 1
1 1004 . 5 1 1 A 86 86 GLN CB C 86 28.836 28.354 0.482 1
1 1006 . 5 1 1 A 86 86 GLN N N 86 127.039 126.548 0.491 1
1 1008 . 5 1 1 A 87 87 TYR H H 87 8.976 8.760 0.216 1
1 1009 . 5 1 1 A 87 87 TYR HA H 87 4.583 4.851 -0.268 1
1 1016 . 5 1 1 A 87 87 TYR C C 87 173.534 174.934 -1.400 1
1 1017 . 5 1 1 A 87 87 TYR CA C 87 57.599 55.926 1.673 1
1 1018 . 5 1 1 A 87 87 TYR CB C 87 42.344 39.449 2.895 1
1 1023 . 5 1 1 A 87 87 TYR N N 87 126.060 126.771 -0.711 1
1 1024 . 5 1 1 A 88 88 PHE H H 88 8.388 8.062 0.326 1
1 1025 . 5 1 1 A 88 88 PHE HA H 88 4.902 4.616 0.286 1
1 1033 . 5 1 1 A 88 88 PHE C C 88 175.238 175.476 -0.238 1
1 1034 . 5 1 1 A 88 88 PHE CA C 88 55.872 58.485 -2.613 1
1 1035 . 5 1 1 A 88 88 PHE CB C 88 40.284 38.196 2.088 1
1 1041 . 5 1 1 A 88 88 PHE N N 88 118.991 123.466 -4.475 1
1 1042 . 5 1 1 A 89 89 ILE H H 89 8.450 9.131 -0.681 1
1 1043 . 5 1 1 A 89 89 ILE HA H 89 4.913 5.453 -0.540 1
1 1053 . 5 1 1 A 89 89 ILE C C 89 174.770 175.670 -0.900 1
1 1054 . 5 1 1 A 89 89 ILE CA C 89 60.472 59.686 0.786 1
1 1055 . 5 1 1 A 89 89 ILE CB C 89 43.167 40.244 2.923 1
1 1059 . 5 1 1 A 89 89 ILE N N 89 118.943 123.679 -4.736 1
1 1060 . 5 1 1 A 90 90 GLU H H 90 9.071 8.604 0.467 1
1 1061 . 5 1 1 A 90 90 GLU HA H 90 4.558 5.132 -0.574 1
1 1066 . 5 1 1 A 90 90 GLU C C 90 173.981 175.408 -1.427 1
1 1067 . 5 1 1 A 90 90 GLU CA C 90 54.831 54.882 -0.051 1
1 1068 . 5 1 1 A 90 90 GLU CB C 90 35.052 33.320 1.732 1
1 1070 . 5 1 1 A 90 90 GLU N N 90 124.044 125.249 -1.205 1
1 1071 . 5 1 1 A 91 91 VAL H H 91 8.564 8.556 0.008 1
1 1072 . 5 1 1 A 91 91 VAL HA H 91 4.968 4.637 0.331 1
1 1080 . 5 1 1 A 91 91 VAL C C 91 174.488 175.388 -0.900 1
1 1081 . 5 1 1 A 91 91 VAL CA C 91 60.525 60.806 -0.281 1
1 1082 . 5 1 1 A 91 91 VAL CB C 91 34.308 32.209 2.099 1
1 1085 . 5 1 1 A 91 91 VAL N N 91 121.165 125.218 -4.053 1
1 1086 . 5 1 1 A 92 92 GLY H H 92 8.941 8.659 0.282 1
1 1087 . 5 1 1 A 92 92 GLY HA2 H 92 4.571 4.224 0.347 1
1 1088 . 5 1 1 A 92 92 GLY HA3 H 92 3.581 4.227 -0.646 1
1 1089 . 5 1 1 A 92 92 GLY C C 92 171.577 172.027 -0.450 1
1 1090 . 5 1 1 A 92 92 GLY CA C 92 43.640 44.428 -0.788 1
1 1091 . 5 1 1 A 92 92 GLY N N 92 112.251 114.986 -2.735 1
1 1092 . 5 1 1 A 93 93 ALA H H 93 10.001 8.627 1.374 1
1 1093 . 5 1 1 A 93 93 ALA HA H 93 4.560 4.342 0.218 1
1 1097 . 5 1 1 A 93 93 ALA C C 93 176.786 176.625 0.161 1
1 1098 . 5 1 1 A 93 93 ALA CA C 93 51.060 50.822 0.238 1
1 1099 . 5 1 1 A 93 93 ALA CB C 93 21.088 19.706 1.382 1
1 1100 . 5 1 1 A 93 93 ALA N N 93 126.200 126.722 -0.522 1
1 1101 . 5 1 1 A 94 94 CYS H H 94 8.739 8.323 0.416 1
1 1102 . 5 1 1 A 94 94 CYS HA H 94 5.214 4.964 0.250 1
1 1105 . 5 1 1 A 94 94 CYS C C 94 174.087 173.094 0.993 1
1 1106 . 5 1 1 A 94 94 CYS CA C 94 57.088 57.182 -0.094 1
1 1107 . 5 1 1 A 94 94 CYS CB C 94 31.345 31.366 -0.021 1
1 1108 . 5 1 1 A 94 94 CYS N N 94 118.064 118.592 -0.528 1
1 1109 . 5 1 1 A 95 95 ASN H H 95 8.968 7.939 1.029 1
1 1110 . 5 1 1 A 95 95 ASN HA H 95 4.593 5.020 -0.427 1
1 1115 . 5 1 1 A 95 95 ASN C C 95 176.009 175.980 0.029 1
1 1116 . 5 1 1 A 95 95 ASN CA C 95 52.981 50.938 2.043 1
1 1117 . 5 1 1 A 95 95 ASN CB C 95 39.336 40.111 -0.775 1
1 1118 . 5 1 1 A 95 95 ASN N N 95 121.604 120.127 1.477 1
1 1120 . 5 1 1 A 96 96 SER H H 96 8.483 8.993 -0.510 1
1 1121 . 5 1 1 A 96 96 SER HA H 96 4.085 4.078 0.007 1
1 1124 . 5 1 1 A 96 96 SER C C 96 174.700 176.558 -1.858 1
1 1125 . 5 1 1 A 96 96 SER CA C 96 61.600 61.218 0.382 1
1 1126 . 5 1 1 A 96 96 SER CB C 96 62.794 62.620 0.174 1
1 1127 . 5 1 1 A 96 96 SER N N 96 113.664 115.559 -1.895 1
1 1128 . 5 1 1 A 97 97 ALA H H 97 8.187 7.582 0.605 1
1 1129 . 5 1 1 A 97 97 ALA HA H 97 4.357 4.041 0.316 1
1 1133 . 5 1 1 A 97 97 ALA C C 97 177.600 176.807 0.793 1
1 1134 . 5 1 1 A 97 97 ALA CA C 97 52.681 55.061 -2.380 1
1 1135 . 5 1 1 A 97 97 ALA CB C 97 19.192 19.118 0.074 1
1 1136 . 5 1 1 A 97 97 ALA N N 97 123.374 121.815 1.559 1
1 1137 . 5 1 1 A 98 98 GLY H H 98 7.800 7.893 -0.093 1
1 1138 . 5 1 1 A 98 98 GLY HA2 H 98 4.444 4.151 0.293 1
1 1139 . 5 1 1 A 98 98 GLY HA3 H 98 3.840 4.152 -0.312 1
1 1140 . 5 1 1 A 98 98 GLY C C 98 171.071 172.752 -1.681 1
1 1141 . 5 1 1 A 98 98 GLY CA C 98 44.809 43.856 0.953 1
1 1142 . 5 1 1 A 98 98 GLY N N 98 106.029 104.179 1.850 1
1 1143 . 5 1 1 A 99 99 CYS H H 99 8.399 8.713 -0.314 1
1 1144 . 5 1 1 A 99 99 CYS HA H 99 4.891 5.353 -0.462 1
1 1147 . 5 1 1 A 99 99 CYS C C 99 175.557 174.364 1.193 1
1 1148 . 5 1 1 A 99 99 CYS CA C 99 57.670 57.183 0.487 1
1 1149 . 5 1 1 A 99 99 CYS CB C 99 29.469 30.500 -1.031 1
1 1150 . 5 1 1 A 99 99 CYS N N 99 117.855 117.276 0.579 1
1 1151 . 5 1 1 A 100 100 GLY H H 100 8.930 8.589 0.341 1
1 1152 . 5 1 1 A 100 100 GLY HA2 H 100 4.282 4.240 0.042 1
1 1153 . 5 1 1 A 100 100 GLY HA3 H 100 3.764 4.255 -0.491 1
1 1154 . 5 1 1 A 100 100 GLY C C 100 170.974 172.275 -1.301 1
1 1155 . 5 1 1 A 100 100 GLY CA C 100 45.578 43.811 1.767 1
1 1156 . 5 1 1 A 100 100 GLY N N 100 113.025 108.661 4.364 1
1 1157 . 5 1 1 A 101 101 PRO HA H 101 4.616 4.617 -0.001 1
1 1164 . 5 1 1 A 101 101 PRO CA C 101 60.598 62.176 -1.578 1
1 1165 . 5 1 1 A 101 101 PRO CB C 101 30.874 31.793 -0.919 1
1 1168 . 5 1 1 A 102 102 PRO HA H 102 4.659 4.499 0.160 1
1 1175 . 5 1 1 A 102 102 PRO C C 102 178.078 176.530 1.548 1
1 1176 . 5 1 1 A 102 102 PRO CA C 102 62.111 62.297 -0.186 1
1 1177 . 5 1 1 A 102 102 PRO CB C 102 32.383 32.206 0.177 1
1 1180 . 5 1 1 A 103 103 SER H H 103 8.732 8.371 0.361 1
1 1181 . 5 1 1 A 103 103 SER HA H 103 4.222 4.629 -0.407 1
1 1184 . 5 1 1 A 103 103 SER C C 103 173.155 173.781 -0.626 1
1 1185 . 5 1 1 A 103 103 SER CA C 103 58.321 57.199 1.122 1
1 1186 . 5 1 1 A 103 103 SER CB C 103 65.815 65.557 0.258 1
1 1187 . 5 1 1 A 103 103 SER N N 103 113.387 115.191 -1.804 1
1 1188 . 5 1 1 A 104 104 ASP H H 104 8.248 8.680 -0.432 1
1 1189 . 5 1 1 A 104 104 ASP HA H 104 4.472 4.574 -0.102 1
1 1192 . 5 1 1 A 104 104 ASP C C 104 176.703 175.710 0.993 1
1 1193 . 5 1 1 A 104 104 ASP CA C 104 55.573 54.991 0.582 1
1 1194 . 5 1 1 A 104 104 ASP CB C 104 40.583 40.925 -0.342 1
1 1195 . 5 1 1 A 104 104 ASP N N 104 119.021 120.347 -1.326 1
1 1196 . 5 1 1 A 105 105 MET H H 105 8.460 8.546 -0.086 1
1 1197 . 5 1 1 A 105 105 MET HA H 105 4.542 4.646 -0.104 1
1 1205 . 5 1 1 A 105 105 MET C C 105 175.687 175.308 0.379 1
1 1206 . 5 1 1 A 105 105 MET CA C 105 56.348 56.000 0.348 1
1 1207 . 5 1 1 A 105 105 MET CB C 105 33.610 33.208 0.402 1
1 1210 . 5 1 1 A 105 105 MET N N 105 124.915 123.063 1.852 1
1 1211 . 5 1 1 A 106 106 ILE H H 106 8.914 8.849 0.065 1
1 1212 . 5 1 1 A 106 106 ILE HA H 106 4.571 5.078 -0.507 1
1 1222 . 5 1 1 A 106 106 ILE C C 106 173.498 175.648 -2.150 1
1 1223 . 5 1 1 A 106 106 ILE CA C 106 59.185 59.871 -0.686 1
1 1224 . 5 1 1 A 106 106 ILE CB C 106 40.786 40.953 -0.167 1
1 1228 . 5 1 1 A 106 106 ILE N N 106 126.141 127.453 -1.312 1
1 1229 . 5 1 1 A 107 107 GLU H H 107 7.999 9.081 -1.082 1
1 1230 . 5 1 1 A 107 107 GLU HA H 107 5.373 4.827 0.546 1
1 1235 . 5 1 1 A 107 107 GLU C C 107 175.263 175.058 0.205 1
1 1236 . 5 1 1 A 107 107 GLU CA C 107 53.343 54.532 -1.189 1
1 1237 . 5 1 1 A 107 107 GLU CB C 107 32.951 32.244 0.707 1
1 1239 . 5 1 1 A 107 107 GLU N N 107 121.346 123.174 -1.828 1
1 1240 . 5 1 1 A 108 108 ALA H H 108 8.685 8.627 0.058 1
1 1241 . 5 1 1 A 108 108 ALA HA H 108 4.549 5.528 -0.979 1
1 1245 . 5 1 1 A 108 108 ALA C C 108 174.431 175.910 -1.479 1
1 1246 . 5 1 1 A 108 108 ALA CA C 108 51.113 49.924 1.189 1
1 1247 . 5 1 1 A 108 108 ALA CB C 108 23.724 22.705 1.019 1
1 1248 . 5 1 1 A 108 108 ALA N N 108 123.009 125.945 -2.936 1
1 1249 . 5 1 1 A 109 109 PHE H H 109 8.519 9.219 -0.700 1
1 1250 . 5 1 1 A 109 109 PHE HA H 109 5.481 5.386 0.095 1
1 1258 . 5 1 1 A 109 109 PHE C C 109 177.604 175.941 1.663 1
1 1259 . 5 1 1 A 109 109 PHE CA C 109 55.854 56.297 -0.443 1
1 1260 . 5 1 1 A 109 109 PHE CB C 109 41.019 41.593 -0.574 1
1 1266 . 5 1 1 A 109 109 PHE N N 109 119.997 119.165 0.832 1
1 1267 . 5 1 1 A 110 110 THR H H 110 8.839 8.844 -0.005 1
1 1268 . 5 1 1 A 110 110 THR HA H 110 4.103 4.731 -0.628 1
1 1273 . 5 1 1 A 110 110 THR C C 110 175.354 174.772 0.582 1
1 1274 . 5 1 1 A 110 110 THR CA C 110 61.763 60.475 1.288 1
1 1275 . 5 1 1 A 110 110 THR CB C 110 69.356 71.339 -1.983 1
1 1277 . 5 1 1 A 110 110 THR N N 110 112.067 115.858 -3.791 1
1 1278 . 5 1 1 A 111 111 LYS H H 111 6.542 8.497 -1.955 1
1 1279 . 5 1 1 A 111 111 LYS HA H 111 4.208 4.506 -0.298 1
1 1288 . 5 1 1 A 111 111 LYS C C 111 176.693 176.692 0.001 1
1 1289 . 5 1 1 A 111 111 LYS CA C 111 56.383 55.594 0.789 1
1 1290 . 5 1 1 A 111 111 LYS CB C 111 33.447 33.417 0.030 1
1 1294 . 5 1 1 A 111 111 LYS N N 111 116.497 120.674 -4.177 1
1 1295 . 5 1 1 A 112 112 LYS H H 112 8.230 8.483 -0.253 1
1 1296 . 5 1 1 A 112 112 LYS HA H 112 4.143 4.586 -0.443 1
1 1304 . 5 1 1 A 112 112 LYS C C 112 176.823 176.429 0.394 1
1 1305 . 5 1 1 A 112 112 LYS CA C 112 57.229 55.536 1.693 1
1 1306 . 5 1 1 A 112 112 LYS CB C 112 33.528 32.512 1.016 1
1 1310 . 5 1 1 A 112 112 LYS N N 112 118.783 121.546 -2.763 1
1 1311 . 5 1 1 A 113 113 ALA H H 113 8.762 8.390 0.372 1
1 1312 . 5 1 1 A 113 113 ALA HA H 113 4.338 4.263 0.075 1
1 1316 . 5 1 1 A 113 113 ALA C C 113 177.688 177.026 0.662 1
1 1317 . 5 1 1 A 113 113 ALA CA C 113 52.417 53.115 -0.698 1
1 1318 . 5 1 1 A 113 113 ALA CB C 113 19.272 18.599 0.673 1
1 1319 . 5 1 1 A 113 113 ALA N N 113 124.432 128.213 -3.781 1
1 1320 . 5 1 1 A 114 114 SER H H 114 8.386 8.643 -0.257 1
1 1321 . 5 1 1 A 114 114 SER HA H 114 4.487 5.031 -0.544 1
1 1324 . 5 1 1 A 114 114 SER C C 114 174.474 172.960 1.514 1
1 1325 . 5 1 1 A 114 114 SER CA C 114 58.063 57.395 0.668 1
1 1326 . 5 1 1 A 114 114 SER CB C 114 64.012 65.624 -1.612 1
1 1327 . 5 1 1 A 114 114 SER N N 114 115.798 114.651 1.147 1
1 1328 . 5 1 1 A 115 115 GLY H H 115 8.278 8.533 -0.255 1
1 1329 . 5 1 1 A 115 115 GLY HA2 H 115 4.172 4.215 -0.043 1
1 1330 . 5 1 1 A 115 115 GLY HA3 H 115 4.094 4.215 -0.121 1
1 1331 . 5 1 1 A 115 115 GLY C C 115 171.799 174.004 -2.205 1
1 1332 . 5 1 1 A 115 115 GLY CA C 115 44.662 44.586 0.076 1
1 1333 . 5 1 1 A 115 115 GLY N N 115 110.600 108.144 2.456 1
1 1334 . 5 1 1 A 116 116 PRO HA H 116 4.472 4.403 0.069 1
1 1341 . 5 1 1 A 116 116 PRO C C 116 177.440 177.888 -0.448 1
1 1342 . 5 1 1 A 116 116 PRO CA C 116 63.275 64.657 -1.382 1
1 1343 . 5 1 1 A 116 116 PRO CB C 116 32.169 31.999 0.170 1
1 1346 . 5 1 1 A 117 117 SER HA H 117 4.505 4.353 0.152 1
1 1348 . 5 1 1 A 117 117 SER C C 117 174.652 174.149 0.503 1
1 1349 . 5 1 1 A 117 117 SER CA C 117 58.393 60.933 -2.540 1
1 1350 . 5 1 1 A 117 117 SER CB C 117 63.899 63.710 0.189 1
1 1351 . 5 1 1 A 117 117 SER N N 117 116.140 112.471 3.669 1
1 1352 . 5 1 1 A 118 118 SER H H 118 8.314 8.165 0.149 1
1 1353 . 5 1 1 A 118 118 SER HA H 118 4.494 4.950 -0.456 1
1 1355 . 5 1 1 A 118 118 SER C C 118 173.938 173.336 0.602 1
1 1356 . 5 1 1 A 118 118 SER CA C 118 58.428 56.168 2.260 1
1 1357 . 5 1 1 A 118 118 SER CB C 118 63.929 65.967 -2.038 1
1 1358 . 5 1 1 A 118 118 SER N N 118 117.760 112.342 5.418 1
1 6 . 6 1 1 A 4 4 GLY H H 4 8.507 8.848 -0.341 1
1 7 . 6 1 1 A 4 4 GLY HA2 H 4 4.513 4.334 0.179 1
1 8 . 6 1 1 A 4 4 GLY HA3 H 4 3.859 4.334 -0.475 1
1 9 . 6 1 1 A 4 4 GLY CA C 4 44.199 43.619 0.580 1
1 10 . 6 1 1 A 4 4 GLY N N 4 116.148 113.399 2.749 1
1 11 . 6 1 1 A 6 6 SER HA H 6 4.472 4.709 -0.237 1
1 13 . 6 1 1 A 6 6 SER C C 6 174.998 174.499 0.499 1
1 14 . 6 1 1 A 6 6 SER CA C 6 58.657 57.944 0.713 1
1 15 . 6 1 1 A 6 6 SER CB C 6 64.025 63.607 0.418 1
1 16 . 6 1 1 A 7 7 GLY H H 7 8.399 8.641 -0.242 1
1 17 . 6 1 1 A 7 7 GLY HA2 H 7 3.963 4.420 -0.457 1
1 18 . 6 1 1 A 7 7 GLY HA3 H 7 3.963 4.421 -0.458 1
1 19 . 6 1 1 A 7 7 GLY C C 7 173.942 172.745 1.197 1
1 20 . 6 1 1 A 7 7 GLY CA C 7 45.332 45.096 0.236 1
1 21 . 6 1 1 A 7 7 GLY N N 7 110.856 114.069 -3.213 1
1 22 . 6 1 1 A 8 8 VAL H H 8 7.919 8.615 -0.696 1
1 23 . 6 1 1 A 8 8 VAL HA H 8 4.101 5.003 -0.902 1
1 31 . 6 1 1 A 8 8 VAL C C 8 175.827 174.386 1.441 1
1 32 . 6 1 1 A 8 8 VAL CA C 8 61.987 59.693 2.294 1
1 33 . 6 1 1 A 8 8 VAL CB C 8 32.786 34.382 -1.596 1
1 36 . 6 1 1 A 8 8 VAL N N 8 119.305 118.334 0.971 1
1 37 . 6 1 1 A 9 9 ALA H H 9 8.367 8.603 -0.236 1
1 38 . 6 1 1 A 9 9 ALA HA H 9 4.329 4.879 -0.550 1
1 42 . 6 1 1 A 9 9 ALA C C 9 177.422 176.124 1.298 1
1 43 . 6 1 1 A 9 9 ALA CA C 9 52.399 51.955 0.444 1
1 44 . 6 1 1 A 9 9 ALA CB C 9 19.317 21.289 -1.972 1
1 45 . 6 1 1 A 9 9 ALA N N 9 128.175 125.687 2.488 1
1 46 . 6 1 1 A 10 10 VAL H H 10 8.154 8.497 -0.343 1
1 47 . 6 1 1 A 10 10 VAL HA H 10 4.046 4.465 -0.419 1
1 55 . 6 1 1 A 10 10 VAL C C 10 176.076 176.972 -0.896 1
1 56 . 6 1 1 A 10 10 VAL CA C 10 62.288 61.408 0.880 1
1 57 . 6 1 1 A 10 10 VAL CB C 10 32.786 32.757 0.029 1
1 60 . 6 1 1 A 10 10 VAL N N 10 120.641 120.172 0.469 1
1 61 . 6 1 1 A 11 11 ILE H H 11 8.261 8.588 -0.327 1
1 62 . 6 1 1 A 11 11 ILE HA H 11 4.148 3.953 0.195 1
1 72 . 6 1 1 A 11 11 ILE C C 11 175.857 176.131 -0.274 1
1 73 . 6 1 1 A 11 11 ILE CA C 11 60.842 63.327 -2.485 1
1 74 . 6 1 1 A 11 11 ILE CB C 11 38.776 37.870 0.906 1
1 78 . 6 1 1 A 11 11 ILE N N 11 125.253 123.378 1.875 1
1 79 . 6 1 1 A 12 12 ASN H H 12 8.575 7.799 0.776 1
1 80 . 6 1 1 A 12 12 ASN HA H 12 4.737 5.230 -0.493 1
1 85 . 6 1 1 A 12 12 ASN C C 12 175.004 173.809 1.195 1
1 86 . 6 1 1 A 12 12 ASN CA C 12 53.087 51.431 1.656 1
1 87 . 6 1 1 A 12 12 ASN CB C 12 39.076 40.203 -1.127 1
1 88 . 6 1 1 A 12 12 ASN N N 12 123.538 118.880 4.658 1
1 90 . 6 1 1 A 13 13 SER H H 13 8.317 8.746 -0.429 1
1 91 . 6 1 1 A 13 13 SER HA H 13 4.373 4.954 -0.581 1
1 94 . 6 1 1 A 13 13 SER C C 13 174.118 173.312 0.806 1
1 95 . 6 1 1 A 13 13 SER CA C 13 58.375 55.774 2.601 1
1 96 . 6 1 1 A 13 13 SER CB C 13 63.866 65.517 -1.651 1
1 97 . 6 1 1 A 13 13 SER N N 13 116.982 120.002 -3.020 1
1 98 . 6 1 1 A 14 14 ALA H H 14 8.317 8.680 -0.363 1
1 99 . 6 1 1 A 14 14 ALA HA H 14 4.285 4.471 -0.186 1
1 103 . 6 1 1 A 14 14 ALA C C 14 177.298 178.489 -1.191 1
1 104 . 6 1 1 A 14 14 ALA CA C 14 52.628 51.562 1.066 1
1 105 . 6 1 1 A 14 14 ALA CB C 14 19.192 19.615 -0.423 1
1 106 . 6 1 1 A 14 14 ALA N N 14 125.606 125.168 0.438 1
1 107 . 6 1 1 A 15 15 GLN H H 15 8.221 8.715 -0.494 1
1 108 . 6 1 1 A 15 15 GLN HA H 15 4.237 4.270 -0.033 1
1 115 . 6 1 1 A 15 15 GLN C C 15 174.741 175.828 -1.087 1
1 116 . 6 1 1 A 15 15 GLN CA C 15 55.925 58.216 -2.291 1
1 117 . 6 1 1 A 15 15 GLN CB C 15 29.990 28.615 1.375 1
1 119 . 6 1 1 A 15 15 GLN N N 15 119.248 118.906 0.342 1
1 121 . 6 1 1 A 16 16 ASP H H 16 7.898 7.858 0.040 1
1 122 . 6 1 1 A 16 16 ASP HA H 16 4.714 5.141 -0.427 1
1 125 . 6 1 1 A 16 16 ASP C C 16 175.219 174.195 1.024 1
1 126 . 6 1 1 A 16 16 ASP CA C 16 53.387 52.339 1.048 1
1 127 . 6 1 1 A 16 16 ASP CB C 16 42.771 44.259 -1.488 1
1 128 . 6 1 1 A 16 16 ASP N N 16 119.674 117.104 2.570 1
1 129 . 6 1 1 A 17 17 ALA H H 17 8.256 8.447 -0.191 1
1 130 . 6 1 1 A 17 17 ALA HA H 17 4.549 4.746 -0.197 1
1 134 . 6 1 1 A 17 17 ALA C C 17 174.226 173.964 0.262 1
1 135 . 6 1 1 A 17 17 ALA CA C 17 50.514 50.216 0.298 1
1 136 . 6 1 1 A 17 17 ALA CB C 17 16.689 22.186 -5.497 1
1 137 . 6 1 1 A 17 17 ALA N N 17 123.830 120.710 3.120 1
1 138 . 6 1 1 A 18 18 PRO HA H 18 4.247 5.159 -0.912 1
1 145 . 6 1 1 A 18 18 PRO CA C 18 63.135 62.681 0.454 1
1 146 . 6 1 1 A 18 18 PRO CB C 18 31.866 31.876 -0.010 1
1 149 . 6 1 1 A 19 19 SER HA H 19 4.524 4.614 -0.090 1
1 152 . 6 1 1 A 19 19 SER C C 19 173.934 174.642 -0.708 1
1 153 . 6 1 1 A 19 19 SER CA C 19 58.657 58.449 0.208 1
1 154 . 6 1 1 A 19 19 SER CB C 19 65.246 64.388 0.858 1
1 155 . 6 1 1 A 20 20 GLU H H 20 7.589 7.754 -0.165 1
1 156 . 6 1 1 A 20 20 GLU HA H 20 4.604 4.594 0.010 1
1 161 . 6 1 1 A 20 20 GLU C C 20 175.082 175.416 -0.334 1
1 162 . 6 1 1 A 20 20 GLU CA C 20 54.762 55.969 -1.207 1
1 163 . 6 1 1 A 20 20 GLU CB C 20 33.405 31.038 2.367 1
1 165 . 6 1 1 A 20 20 GLU N N 20 121.739 122.233 -0.494 1
1 166 . 6 1 1 A 21 21 ALA H H 21 8.564 8.742 -0.178 1
1 167 . 6 1 1 A 21 21 ALA HA H 21 4.995 4.916 0.079 1
1 171 . 6 1 1 A 21 21 ALA C C 21 175.731 175.342 0.389 1
1 172 . 6 1 1 A 21 21 ALA CA C 21 49.341 49.478 -0.137 1
1 173 . 6 1 1 A 21 21 ALA CB C 21 19.388 21.160 -1.772 1
1 174 . 6 1 1 A 21 21 ALA N N 21 125.054 126.648 -1.594 1
1 175 . 6 1 1 A 22 22 PRO HA H 22 4.529 4.961 -0.432 1
1 182 . 6 1 1 A 22 22 PRO C C 22 174.830 176.812 -1.982 1
1 183 . 6 1 1 A 22 22 PRO CA C 22 63.076 62.563 0.513 1
1 184 . 6 1 1 A 22 22 PRO CB C 22 32.294 30.432 1.862 1
1 187 . 6 1 1 A 23 23 THR H H 23 7.442 8.072 -0.630 1
1 188 . 6 1 1 A 23 23 THR HA H 23 4.663 4.509 0.154 1
1 193 . 6 1 1 A 23 23 THR C C 23 172.878 174.971 -2.093 1
1 194 . 6 1 1 A 23 23 THR CA C 23 59.961 61.986 -2.025 1
1 195 . 6 1 1 A 23 23 THR CB C 23 72.337 69.767 2.570 1
1 197 . 6 1 1 A 23 23 THR N N 23 109.039 117.185 -8.146 1
1 198 . 6 1 1 A 24 24 GLU H H 24 8.782 8.904 -0.122 1
1 199 . 6 1 1 A 24 24 GLU HA H 24 3.911 3.876 0.035 1
1 204 . 6 1 1 A 24 24 GLU C C 24 175.816 175.164 0.652 1
1 205 . 6 1 1 A 24 24 GLU CA C 24 56.172 57.517 -1.345 1
1 206 . 6 1 1 A 24 24 GLU CB C 24 27.761 27.742 0.019 1
1 208 . 6 1 1 A 24 24 GLU N N 24 115.227 119.045 -3.818 1
1 209 . 6 1 1 A 25 25 VAL H H 25 8.030 7.965 0.065 1
1 210 . 6 1 1 A 25 25 VAL HA H 25 4.891 4.416 0.475 1
1 218 . 6 1 1 A 25 25 VAL C C 25 177.065 175.225 1.840 1
1 219 . 6 1 1 A 25 25 VAL CA C 25 62.446 62.405 0.041 1
1 220 . 6 1 1 A 25 25 VAL CB C 25 31.471 32.452 -0.981 1
1 223 . 6 1 1 A 25 25 VAL N N 25 119.529 119.723 -0.194 1
1 224 . 6 1 1 A 26 26 GLY H H 26 8.796 9.098 -0.302 1
1 225 . 6 1 1 A 26 26 GLY HA2 H 26 4.420 4.409 0.011 1
1 226 . 6 1 1 A 26 26 GLY HA3 H 26 3.646 4.410 -0.764 1
1 227 . 6 1 1 A 26 26 GLY C C 26 170.874 172.993 -2.119 1
1 228 . 6 1 1 A 26 26 GLY CA C 26 44.468 45.333 -0.865 1
1 229 . 6 1 1 A 26 26 GLY N N 26 114.560 114.098 0.462 1
1 230 . 6 1 1 A 27 27 VAL H H 27 8.332 8.712 -0.380 1
1 231 . 6 1 1 A 27 27 VAL HA H 27 5.508 5.270 0.238 1
1 239 . 6 1 1 A 27 27 VAL C C 27 175.652 174.793 0.859 1
1 240 . 6 1 1 A 27 27 VAL CA C 27 58.279 59.445 -1.166 1
1 241 . 6 1 1 A 27 27 VAL CB C 27 36.230 35.965 0.265 1
1 244 . 6 1 1 A 27 27 VAL N N 27 110.792 116.202 -5.410 1
1 245 . 6 1 1 A 28 28 LYS H H 28 9.143 9.381 -0.238 1
1 246 . 6 1 1 A 28 28 LYS HA H 28 4.550 5.152 -0.602 1
1 254 . 6 1 1 A 28 28 LYS C C 28 175.150 175.155 -0.005 1
1 255 . 6 1 1 A 28 28 LYS CA C 28 55.396 54.444 0.952 1
1 256 . 6 1 1 A 28 28 LYS CB C 28 35.134 35.388 -0.254 1
1 260 . 6 1 1 A 28 28 LYS N N 28 123.314 124.021 -0.707 1
1 261 . 6 1 1 A 29 29 VAL H H 29 9.190 9.051 0.139 1
1 262 . 6 1 1 A 29 29 VAL HA H 29 3.939 4.452 -0.513 1
1 270 . 6 1 1 A 29 29 VAL C C 29 176.162 175.715 0.447 1
1 271 . 6 1 1 A 29 29 VAL CA C 29 64.332 61.712 2.620 1
1 272 . 6 1 1 A 29 29 VAL CB C 29 31.417 31.999 -0.582 1
1 275 . 6 1 1 A 29 29 VAL N N 29 127.176 122.025 5.151 1
1 276 . 6 1 1 A 30 30 LEU H H 30 8.108 8.766 -0.658 1
1 277 . 6 1 1 A 30 30 LEU HA H 30 4.375 4.111 0.264 1
1 287 . 6 1 1 A 30 30 LEU C C 30 177.477 177.034 0.443 1
1 288 . 6 1 1 A 30 30 LEU CA C 30 55.886 56.731 -0.845 1
1 289 . 6 1 1 A 30 30 LEU CB C 30 42.498 42.246 0.252 1
1 293 . 6 1 1 A 30 30 LEU N N 30 128.053 129.935 -1.882 1
1 294 . 6 1 1 A 31 31 SER H H 31 8.152 7.582 0.570 1
1 295 . 6 1 1 A 31 31 SER HA H 31 4.748 4.767 -0.019 1
1 298 . 6 1 1 A 31 31 SER C C 31 173.427 173.736 -0.309 1
1 299 . 6 1 1 A 31 31 SER CA C 31 57.811 57.354 0.457 1
1 300 . 6 1 1 A 31 31 SER CB C 31 64.517 66.957 -2.440 1
1 301 . 6 1 1 A 31 31 SER N N 31 112.798 112.376 0.422 1
1 302 . 6 1 1 A 32 32 SER H H 32 8.450 8.842 -0.392 1
1 303 . 6 1 1 A 32 32 SER HA H 32 4.604 4.475 0.129 1
1 306 . 6 1 1 A 32 32 SER C C 32 172.423 174.715 -2.292 1
1 307 . 6 1 1 A 32 32 SER CA C 32 59.414 60.555 -1.141 1
1 308 . 6 1 1 A 32 32 SER CB C 32 63.903 63.059 0.844 1
1 309 . 6 1 1 A 32 32 SER N N 32 112.687 117.538 -4.851 1
1 310 . 6 1 1 A 33 33 SER H H 33 8.355 8.231 0.124 1
1 311 . 6 1 1 A 33 33 SER HA H 33 4.759 4.699 0.060 1
1 314 . 6 1 1 A 33 33 SER C C 33 173.940 173.618 0.322 1
1 315 . 6 1 1 A 33 33 SER CA C 33 57.229 58.602 -1.373 1
1 316 . 6 1 1 A 33 33 SER CB C 33 66.786 65.712 1.074 1
1 317 . 6 1 1 A 33 33 SER N N 33 109.767 115.435 -5.668 1
1 318 . 6 1 1 A 34 34 GLU H H 34 6.978 7.854 -0.876 1
1 319 . 6 1 1 A 34 34 GLU HA H 34 5.487 5.121 0.366 1
1 324 . 6 1 1 A 34 34 GLU C C 34 175.294 175.870 -0.576 1
1 325 . 6 1 1 A 34 34 GLU CA C 34 55.130 55.085 0.045 1
1 326 . 6 1 1 A 34 34 GLU CB C 34 35.711 31.961 3.750 1
1 328 . 6 1 1 A 34 34 GLU N N 34 119.009 119.334 -0.325 1
1 329 . 6 1 1 A 35 35 ILE H H 35 8.190 8.191 -0.001 1
1 330 . 6 1 1 A 35 35 ILE HA H 35 4.477 4.675 -0.198 1
1 340 . 6 1 1 A 35 35 ILE C C 35 173.681 173.909 -0.228 1
1 341 . 6 1 1 A 35 35 ILE CA C 35 60.203 60.358 -0.155 1
1 342 . 6 1 1 A 35 35 ILE CB C 35 43.791 41.412 2.379 1
1 346 . 6 1 1 A 35 35 ILE N N 35 120.691 122.543 -1.852 1
1 347 . 6 1 1 A 36 36 SER H H 36 9.269 8.448 0.821 1
1 348 . 6 1 1 A 36 36 SER HA H 36 5.300 5.296 0.004 1
1 351 . 6 1 1 A 36 36 SER C C 36 172.945 173.613 -0.668 1
1 352 . 6 1 1 A 36 36 SER CA C 36 56.549 57.003 -0.454 1
1 353 . 6 1 1 A 36 36 SER CB C 36 64.591 64.984 -0.393 1
1 354 . 6 1 1 A 36 36 SER N N 36 120.471 122.796 -2.325 1
1 355 . 6 1 1 A 37 37 VAL H H 37 9.000 8.578 0.422 1
1 356 . 6 1 1 A 37 37 VAL HA H 37 4.902 4.736 0.166 1
1 364 . 6 1 1 A 37 37 VAL C C 37 173.530 174.995 -1.465 1
1 365 . 6 1 1 A 37 37 VAL CA C 37 60.261 61.651 -1.390 1
1 366 . 6 1 1 A 37 37 VAL CB C 37 35.001 34.388 0.613 1
1 369 . 6 1 1 A 37 37 VAL N N 37 127.009 125.554 1.455 1
1 370 . 6 1 1 A 38 38 HIS H H 38 8.779 8.654 0.125 1
1 371 . 6 1 1 A 38 38 HIS HA H 38 5.238 5.034 0.204 1
1 376 . 6 1 1 A 38 38 HIS C C 38 173.545 175.080 -1.535 1
1 377 . 6 1 1 A 38 38 HIS CA C 38 54.991 54.303 0.688 1
1 378 . 6 1 1 A 38 38 HIS CB C 38 32.564 31.620 0.944 1
1 381 . 6 1 1 A 38 38 HIS N N 38 123.115 125.252 -2.137 1
1 382 . 6 1 1 A 39 39 TRP H H 39 7.682 8.228 -0.546 1
1 383 . 6 1 1 A 39 39 TRP HA H 39 5.044 5.470 -0.426 1
1 392 . 6 1 1 A 39 39 TRP C C 39 173.585 172.966 0.619 1
1 393 . 6 1 1 A 39 39 TRP CA C 39 57.170 54.812 2.358 1
1 394 . 6 1 1 A 39 39 TRP CB C 39 31.554 32.095 -0.541 1
1 400 . 6 1 1 A 39 39 TRP N N 39 116.447 119.765 -3.318 1
1 402 . 6 1 1 A 40 40 GLU H H 40 8.522 9.151 -0.629 1
1 403 . 6 1 1 A 40 40 GLU HA H 40 4.619 5.028 -0.409 1
1 408 . 6 1 1 A 40 40 GLU C C 40 177.186 176.475 0.711 1
1 409 . 6 1 1 A 40 40 GLU CA C 40 54.356 54.708 -0.352 1
1 410 . 6 1 1 A 40 40 GLU CB C 40 30.344 32.868 -2.524 1
1 412 . 6 1 1 A 40 40 GLU N N 40 117.208 120.630 -3.422 1
1 413 . 6 1 1 A 41 41 HIS H H 41 8.477 8.703 -0.226 1
1 414 . 6 1 1 A 41 41 HIS HA H 41 4.748 4.628 0.120 1
1 419 . 6 1 1 A 41 41 HIS C C 41 177.474 175.645 1.829 1
1 420 . 6 1 1 A 41 41 HIS CA C 41 54.779 57.436 -2.657 1
1 421 . 6 1 1 A 41 41 HIS CB C 41 31.140 30.527 0.613 1
1 424 . 6 1 1 A 41 41 HIS N N 41 119.083 124.682 -5.599 1
1 425 . 6 1 1 A 42 42 VAL H H 42 7.680 8.309 -0.629 1
1 426 . 6 1 1 A 42 42 VAL HA H 42 4.428 4.477 -0.049 1
1 434 . 6 1 1 A 42 42 VAL C C 42 175.401 177.152 -1.751 1
1 435 . 6 1 1 A 42 42 VAL CA C 42 60.878 62.084 -1.206 1
1 436 . 6 1 1 A 42 42 VAL CB C 42 32.216 32.806 -0.590 1
1 439 . 6 1 1 A 42 42 VAL N N 42 114.975 122.832 -7.857 1
1 440 . 6 1 1 A 43 43 LEU H H 43 9.107 9.057 0.050 1
1 441 . 6 1 1 A 43 43 LEU HA H 43 4.303 4.129 0.174 1
1 451 . 6 1 1 A 43 43 LEU C C 43 178.603 177.193 1.410 1
1 452 . 6 1 1 A 43 43 LEU CA C 43 55.872 57.477 -1.605 1
1 453 . 6 1 1 A 43 43 LEU CB C 43 41.684 41.685 -0.001 1
1 457 . 6 1 1 A 43 43 LEU N N 43 123.877 124.367 -0.490 1
1 458 . 6 1 1 A 44 44 GLU H H 44 7.988 7.852 0.136 1
1 459 . 6 1 1 A 44 44 GLU HA H 44 4.152 4.471 -0.319 1
1 464 . 6 1 1 A 44 44 GLU C C 44 177.236 176.458 0.778 1
1 465 . 6 1 1 A 44 44 GLU CA C 44 57.282 55.921 1.361 1
1 466 . 6 1 1 A 44 44 GLU CB C 44 31.033 29.779 1.254 1
1 468 . 6 1 1 A 44 44 GLU N N 44 119.655 120.761 -1.106 1
1 469 . 6 1 1 A 45 45 LYS H H 45 8.596 8.913 -0.317 1
1 470 . 6 1 1 A 45 45 LYS HA H 45 4.295 4.410 -0.115 1
1 479 . 6 1 1 A 45 45 LYS C C 45 177.258 177.726 -0.468 1
1 480 . 6 1 1 A 45 45 LYS CA C 45 57.170 56.987 0.183 1
1 481 . 6 1 1 A 45 45 LYS CB C 45 32.204 32.579 -0.375 1
1 485 . 6 1 1 A 45 45 LYS N N 45 120.518 127.091 -6.573 1
1 486 . 6 1 1 A 46 46 ILE H H 46 7.212 7.705 -0.493 1
1 487 . 6 1 1 A 46 46 ILE HA H 46 4.371 4.082 0.289 1
1 497 . 6 1 1 A 46 46 ILE C C 46 175.191 176.306 -1.115 1
1 498 . 6 1 1 A 46 46 ILE CA C 46 60.666 63.710 -3.044 1
1 499 . 6 1 1 A 46 46 ILE CB C 46 37.531 37.389 0.142 1
1 503 . 6 1 1 A 46 46 ILE N N 46 111.434 115.093 -3.659 1
1 504 . 6 1 1 A 47 47 VAL H H 47 7.378 7.300 0.078 1
1 505 . 6 1 1 A 47 47 VAL HA H 47 3.658 3.855 -0.197 1
1 513 . 6 1 1 A 47 47 VAL C C 47 175.157 176.188 -1.031 1
1 514 . 6 1 1 A 47 47 VAL CA C 47 63.521 62.240 1.281 1
1 515 . 6 1 1 A 47 47 VAL CB C 47 33.570 32.347 1.223 1
1 518 . 6 1 1 A 47 47 VAL N N 47 122.780 122.397 0.383 1
1 519 . 6 1 1 A 48 48 GLU H H 48 8.733 9.314 -0.581 1
1 520 . 6 1 1 A 48 48 GLU HA H 48 4.615 4.335 0.280 1
1 525 . 6 1 1 A 48 48 GLU C C 48 176.241 176.311 -0.070 1
1 526 . 6 1 1 A 48 48 GLU CA C 48 56.701 57.463 -0.762 1
1 527 . 6 1 1 A 48 48 GLU CB C 48 32.966 30.316 2.650 1
1 529 . 6 1 1 A 48 48 GLU N N 48 124.835 121.183 3.652 1
1 530 . 6 1 1 A 49 49 SER H H 49 8.130 7.034 1.096 1
1 531 . 6 1 1 A 49 49 SER HA H 49 4.726 4.521 0.205 1
1 534 . 6 1 1 A 49 49 SER C C 49 171.371 171.467 -0.096 1
1 535 . 6 1 1 A 49 49 SER CA C 49 57.440 57.286 0.154 1
1 536 . 6 1 1 A 49 49 SER CB C 49 66.073 65.454 0.619 1
1 537 . 6 1 1 A 49 49 SER N N 49 114.231 113.431 0.800 1
1 538 . 6 1 1 A 50 50 TYR H H 50 8.681 8.463 0.218 1
1 539 . 6 1 1 A 50 50 TYR HA H 50 5.057 5.109 -0.052 1
1 546 . 6 1 1 A 50 50 TYR C C 50 174.034 175.028 -0.994 1
1 547 . 6 1 1 A 50 50 TYR CA C 50 57.434 56.624 0.810 1
1 548 . 6 1 1 A 50 50 TYR CB C 50 41.437 38.874 2.563 1
1 553 . 6 1 1 A 50 50 TYR N N 50 115.301 121.543 -6.242 1
1 554 . 6 1 1 A 51 51 GLN H H 51 9.200 9.291 -0.091 1
1 555 . 6 1 1 A 51 51 GLN HA H 51 5.144 4.704 0.440 1
1 562 . 6 1 1 A 51 51 GLN C C 51 173.878 175.058 -1.180 1
1 563 . 6 1 1 A 51 51 GLN CA C 51 53.669 56.348 -2.679 1
1 564 . 6 1 1 A 51 51 GLN CB C 51 32.783 29.984 2.799 1
1 566 . 6 1 1 A 51 51 GLN N N 51 119.842 124.435 -4.593 1
1 568 . 6 1 1 A 52 52 ILE H H 52 9.441 8.726 0.715 1
1 569 . 6 1 1 A 52 52 ILE HA H 52 4.803 4.824 -0.021 1
1 579 . 6 1 1 A 52 52 ILE C C 52 174.953 174.888 0.065 1
1 580 . 6 1 1 A 52 52 ILE CA C 52 61.054 60.531 0.523 1
1 581 . 6 1 1 A 52 52 ILE CB C 52 39.108 38.719 0.389 1
1 585 . 6 1 1 A 52 52 ILE N N 52 128.547 123.568 4.979 1
1 586 . 6 1 1 A 53 53 ARG H H 53 9.169 8.685 0.484 1
1 587 . 6 1 1 A 53 53 ARG HA H 53 5.628 4.948 0.680 1
1 594 . 6 1 1 A 53 53 ARG C C 53 174.869 175.950 -1.081 1
1 595 . 6 1 1 A 53 53 ARG CA C 53 54.479 56.498 -2.019 1
1 596 . 6 1 1 A 53 53 ARG CB C 53 33.942 30.972 2.970 1
1 599 . 6 1 1 A 53 53 ARG N N 53 127.779 129.711 -1.932 1
1 600 . 6 1 1 A 54 54 TYR H H 54 8.671 9.278 -0.607 1
1 601 . 6 1 1 A 54 54 TYR HA H 54 6.310 6.069 0.241 1
1 608 . 6 1 1 A 54 54 TYR C C 54 173.965 173.789 0.176 1
1 609 . 6 1 1 A 54 54 TYR CA C 54 55.291 55.729 -0.438 1
1 610 . 6 1 1 A 54 54 TYR CB C 54 41.930 42.805 -0.875 1
1 615 . 6 1 1 A 54 54 TYR N N 54 117.929 122.225 -4.296 1
1 616 . 6 1 1 A 55 55 TRP H H 55 8.928 8.865 0.063 1
1 617 . 6 1 1 A 55 55 TRP HA H 55 5.054 5.057 -0.003 1
1 626 . 6 1 1 A 55 55 TRP C C 55 172.613 173.979 -1.366 1
1 627 . 6 1 1 A 55 55 TRP CA C 55 56.577 55.951 0.626 1
1 628 . 6 1 1 A 55 55 TRP CB C 55 32.118 31.257 0.861 1
1 634 . 6 1 1 A 55 55 TRP N N 55 121.459 118.694 2.765 1
1 636 . 6 1 1 A 56 56 ALA H H 56 8.870 8.018 0.852 1
1 637 . 6 1 1 A 56 56 ALA HA H 56 4.053 3.695 0.358 1
1 641 . 6 1 1 A 56 56 ALA C C 56 179.868 178.067 1.801 1
1 642 . 6 1 1 A 56 56 ALA CA C 56 50.478 52.051 -1.573 1
1 643 . 6 1 1 A 56 56 ALA CB C 56 19.108 18.942 0.166 1
1 644 . 6 1 1 A 56 56 ALA N N 56 124.214 123.035 1.179 1
1 645 . 6 1 1 A 57 57 ALA H H 57 8.147 8.505 -0.358 1
1 646 . 6 1 1 A 57 57 ALA HA H 57 3.913 4.195 -0.282 1
1 650 . 6 1 1 A 57 57 ALA C C 57 178.479 180.161 -1.682 1
1 651 . 6 1 1 A 57 57 ALA CA C 57 54.832 55.700 -0.868 1
1 652 . 6 1 1 A 57 57 ALA CB C 57 19.317 18.206 1.111 1
1 653 . 6 1 1 A 57 57 ALA N N 57 120.999 124.613 -3.614 1
1 654 . 6 1 1 A 58 58 HIS H H 58 7.274 8.134 -0.860 1
1 655 . 6 1 1 A 58 58 HIS HA H 58 4.605 4.329 0.276 1
1 660 . 6 1 1 A 58 58 HIS C C 58 175.349 175.621 -0.272 1
1 661 . 6 1 1 A 58 58 HIS CA C 58 56.066 59.172 -3.106 1
1 662 . 6 1 1 A 58 58 HIS CB C 58 29.780 28.754 1.026 1
1 665 . 6 1 1 A 58 58 HIS N N 58 109.961 115.096 -5.135 1
1 666 . 6 1 1 A 59 59 ASP H H 59 7.945 7.054 0.891 1
1 667 . 6 1 1 A 59 59 ASP HA H 59 4.869 4.382 0.487 1
1 670 . 6 1 1 A 59 59 ASP C C 59 175.895 175.779 0.116 1
1 671 . 6 1 1 A 59 59 ASP CA C 59 53.898 54.801 -0.903 1
1 672 . 6 1 1 A 59 59 ASP CB C 59 42.385 41.237 1.148 1
1 673 . 6 1 1 A 59 59 ASP N N 59 123.825 120.947 2.878 1
1 674 . 6 1 1 A 60 60 LYS H H 60 8.147 8.722 -0.575 1
1 675 . 6 1 1 A 60 60 LYS HA H 60 4.197 4.562 -0.365 1
1 682 . 6 1 1 A 60 60 LYS C C 60 177.212 177.819 -0.607 1
1 683 . 6 1 1 A 60 60 LYS CA C 60 56.121 54.755 1.366 1
1 684 . 6 1 1 A 60 60 LYS CB C 60 32.951 34.439 -1.488 1
1 688 . 6 1 1 A 60 60 LYS N N 60 117.803 121.624 -3.821 1
1 689 . 6 1 1 A 61 61 GLU H H 61 8.381 8.917 -0.536 1
1 690 . 6 1 1 A 61 61 GLU HA H 61 2.603 3.268 -0.665 1
1 695 . 6 1 1 A 61 61 GLU C C 61 178.058 177.892 0.166 1
1 696 . 6 1 1 A 61 61 GLU CA C 61 58.622 59.662 -1.040 1
1 697 . 6 1 1 A 61 61 GLU CB C 61 28.709 29.034 -0.325 1
1 699 . 6 1 1 A 61 61 GLU N N 61 122.310 123.682 -1.372 1
1 700 . 6 1 1 A 62 62 GLU H H 62 8.470 8.947 -0.477 1
1 701 . 6 1 1 A 62 62 GLU HA H 62 3.919 4.028 -0.109 1
1 706 . 6 1 1 A 62 62 GLU C C 62 176.293 177.282 -0.989 1
1 707 . 6 1 1 A 62 62 GLU CA C 62 57.899 58.496 -0.597 1
1 708 . 6 1 1 A 62 62 GLU CB C 62 28.796 28.508 0.288 1
1 710 . 6 1 1 A 62 62 GLU N N 62 117.600 116.409 1.191 1
1 711 . 6 1 1 A 63 63 ALA H H 63 7.760 7.584 0.176 1
1 712 . 6 1 1 A 63 63 ALA HA H 63 4.443 4.406 0.037 1
1 716 . 6 1 1 A 63 63 ALA C C 63 176.867 177.022 -0.155 1
1 717 . 6 1 1 A 63 63 ALA CA C 63 51.095 51.385 -0.290 1
1 718 . 6 1 1 A 63 63 ALA CB C 63 18.845 19.346 -0.501 1
1 719 . 6 1 1 A 63 63 ALA N N 63 123.067 121.270 1.797 1
1 720 . 6 1 1 A 64 64 ALA H H 64 7.389 7.240 0.149 1
1 721 . 6 1 1 A 64 64 ALA HA H 64 4.175 4.284 -0.109 1
1 725 . 6 1 1 A 64 64 ALA C C 64 177.784 177.007 0.777 1
1 726 . 6 1 1 A 64 64 ALA CA C 64 53.099 51.093 2.006 1
1 727 . 6 1 1 A 64 64 ALA CB C 64 19.784 19.561 0.223 1
1 728 . 6 1 1 A 64 64 ALA N N 64 121.409 121.504 -0.095 1
1 729 . 6 1 1 A 65 65 ASN H H 65 8.152 8.118 0.034 1
1 730 . 6 1 1 A 65 65 ASN HA H 65 4.714 5.210 -0.496 1
1 735 . 6 1 1 A 65 65 ASN C C 65 173.533 175.011 -1.478 1
1 736 . 6 1 1 A 65 65 ASN CA C 65 52.523 52.267 0.256 1
1 737 . 6 1 1 A 65 65 ASN CB C 65 40.739 40.624 0.115 1
1 738 . 6 1 1 A 65 65 ASN N N 65 119.620 121.003 -1.383 1
1 740 . 6 1 1 A 66 66 ARG H H 66 8.366 8.928 -0.562 1
1 741 . 6 1 1 A 66 66 ARG HA H 66 5.760 5.283 0.477 1
1 748 . 6 1 1 A 66 66 ARG C C 66 175.946 175.359 0.587 1
1 749 . 6 1 1 A 66 66 ARG CA C 66 54.902 55.080 -0.178 1
1 750 . 6 1 1 A 66 66 ARG CB C 66 34.116 32.468 1.648 1
1 753 . 6 1 1 A 66 66 ARG N N 66 116.911 121.577 -4.666 1
1 754 . 6 1 1 A 67 67 VAL H H 67 9.057 9.124 -0.067 1
1 755 . 6 1 1 A 67 67 VAL HA H 67 4.520 4.655 -0.135 1
1 763 . 6 1 1 A 67 67 VAL C C 67 173.731 175.708 -1.977 1
1 764 . 6 1 1 A 67 67 VAL CA C 67 60.845 61.699 -0.854 1
1 765 . 6 1 1 A 67 67 VAL CB C 67 35.917 32.993 2.924 1
1 768 . 6 1 1 A 67 67 VAL N N 67 122.047 125.210 -3.163 1
1 769 . 6 1 1 A 68 68 GLN H H 68 8.741 8.587 0.154 1
1 770 . 6 1 1 A 68 68 GLN HA H 68 5.543 5.411 0.132 1
1 777 . 6 1 1 A 68 68 GLN C C 68 175.452 175.560 -0.108 1
1 778 . 6 1 1 A 68 68 GLN CA C 68 54.462 54.837 -0.375 1
1 779 . 6 1 1 A 68 68 GLN CB C 68 32.087 30.702 1.385 1
1 781 . 6 1 1 A 68 68 GLN N N 68 124.250 126.663 -2.413 1
1 783 . 6 1 1 A 69 69 VAL H H 69 8.912 8.477 0.435 1
1 784 . 6 1 1 A 69 69 VAL HA H 69 5.012 4.817 0.195 1
1 792 . 6 1 1 A 69 69 VAL C C 69 175.870 175.033 0.837 1
1 793 . 6 1 1 A 69 69 VAL CA C 69 59.045 59.223 -0.178 1
1 794 . 6 1 1 A 69 69 VAL CB C 69 35.106 35.782 -0.676 1
1 797 . 6 1 1 A 69 69 VAL N N 69 117.045 116.344 0.701 1
1 798 . 6 1 1 A 70 70 THR H H 70 8.491 8.500 -0.009 1
1 799 . 6 1 1 A 70 70 THR HA H 70 4.585 4.347 0.238 1
1 804 . 6 1 1 A 70 70 THR C C 70 175.015 175.966 -0.951 1
1 805 . 6 1 1 A 70 70 THR CA C 70 62.917 62.624 0.293 1
1 806 . 6 1 1 A 70 70 THR CB C 70 70.767 69.750 1.017 1
1 808 . 6 1 1 A 70 70 THR N N 70 111.495 114.953 -3.458 1
1 809 . 6 1 1 A 71 71 SER H H 71 7.522 8.993 -1.471 1
1 810 . 6 1 1 A 71 71 SER HA H 71 4.148 4.402 -0.254 1
1 813 . 6 1 1 A 71 71 SER C C 71 174.340 176.473 -2.133 1
1 814 . 6 1 1 A 71 71 SER CA C 71 59.749 61.381 -1.632 1
1 815 . 6 1 1 A 71 71 SER CB C 71 63.060 62.722 0.338 1
1 816 . 6 1 1 A 71 71 SER N N 71 111.553 117.633 -6.080 1
1 817 . 6 1 1 A 72 72 GLN H H 72 7.718 8.560 -0.842 1
1 818 . 6 1 1 A 72 72 GLN HA H 72 4.428 4.382 0.046 1
1 823 . 6 1 1 A 72 72 GLN C C 72 176.456 176.448 0.008 1
1 824 . 6 1 1 A 72 72 GLN CA C 72 56.630 58.000 -1.370 1
1 825 . 6 1 1 A 72 72 GLN CB C 72 29.373 28.282 1.091 1
1 827 . 6 1 1 A 72 72 GLN N N 72 117.502 118.533 -1.031 1
1 829 . 6 1 1 A 73 73 GLU H H 73 7.650 7.705 -0.055 1
1 830 . 6 1 1 A 73 73 GLU HA H 73 4.408 4.477 -0.069 1
1 835 . 6 1 1 A 73 73 GLU C C 73 176.484 176.189 0.295 1
1 836 . 6 1 1 A 73 73 GLU CA C 73 56.472 55.965 0.507 1
1 837 . 6 1 1 A 73 73 GLU CB C 73 31.962 30.335 1.627 1
1 839 . 6 1 1 A 73 73 GLU N N 73 119.175 121.122 -1.947 1
1 840 . 6 1 1 A 74 74 TYR H H 74 8.615 8.938 -0.323 1
1 841 . 6 1 1 A 74 74 TYR HA H 74 3.427 4.220 -0.793 1
1 848 . 6 1 1 A 74 74 TYR C C 74 171.853 174.466 -2.613 1
1 849 . 6 1 1 A 74 74 TYR CA C 74 56.565 57.806 -1.241 1
1 850 . 6 1 1 A 74 74 TYR CB C 74 39.410 38.205 1.205 1
1 855 . 6 1 1 A 74 74 TYR N N 74 118.997 124.906 -5.909 1
1 856 . 6 1 1 A 75 75 SER H H 75 6.801 7.249 -0.448 1
1 857 . 6 1 1 A 75 75 SER HA H 75 5.001 3.575 1.426 1
1 860 . 6 1 1 A 75 75 SER C C 75 172.976 171.830 1.146 1
1 861 . 6 1 1 A 75 75 SER CA C 75 56.154 56.858 -0.704 1
1 862 . 6 1 1 A 75 75 SER CB C 75 66.541 65.076 1.465 1
1 863 . 6 1 1 A 75 75 SER N N 75 109.803 111.788 -1.985 1
1 864 . 6 1 1 A 76 76 ALA H H 76 8.897 8.837 0.060 1
1 865 . 6 1 1 A 76 76 ALA HA H 76 4.604 5.258 -0.654 1
1 869 . 6 1 1 A 76 76 ALA C C 76 174.777 175.395 -0.618 1
1 870 . 6 1 1 A 76 76 ALA CA C 76 51.359 50.949 0.410 1
1 871 . 6 1 1 A 76 76 ALA CB C 76 23.140 24.275 -1.135 1
1 872 . 6 1 1 A 76 76 ALA N N 76 120.416 123.415 -2.999 1
1 873 . 6 1 1 A 77 77 ARG H H 77 8.529 8.660 -0.131 1
1 874 . 6 1 1 A 77 77 ARG HA H 77 4.681 5.009 -0.328 1
1 881 . 6 1 1 A 77 77 ARG C C 77 174.533 173.932 0.601 1
1 882 . 6 1 1 A 77 77 ARG CA C 77 54.973 55.133 -0.160 1
1 883 . 6 1 1 A 77 77 ARG CB C 77 31.839 34.166 -2.327 1
1 886 . 6 1 1 A 77 77 ARG N N 77 121.172 119.664 1.508 1
1 887 . 6 1 1 A 78 78 LEU H H 78 9.089 9.206 -0.117 1
1 888 . 6 1 1 A 78 78 LEU HA H 78 4.396 5.021 -0.625 1
1 898 . 6 1 1 A 78 78 LEU C C 78 175.107 175.513 -0.406 1
1 899 . 6 1 1 A 78 78 LEU CA C 78 53.333 53.050 0.283 1
1 900 . 6 1 1 A 78 78 LEU CB C 78 41.272 44.816 -3.544 1
1 904 . 6 1 1 A 78 78 LEU N N 78 126.698 128.213 -1.515 1
1 905 . 6 1 1 A 79 79 GLU H H 79 8.239 8.686 -0.447 1
1 906 . 6 1 1 A 79 79 GLU HA H 79 5.034 4.880 0.154 1
1 911 . 6 1 1 A 79 79 GLU C C 79 174.792 175.591 -0.799 1
1 912 . 6 1 1 A 79 79 GLU CA C 79 54.056 54.374 -0.318 1
1 913 . 6 1 1 A 79 79 GLU CB C 79 33.692 33.260 0.432 1
1 915 . 6 1 1 A 79 79 GLU N N 79 119.147 121.145 -1.998 1
1 916 . 6 1 1 A 80 80 ASN H H 80 9.068 8.523 0.545 1
1 917 . 6 1 1 A 80 80 ASN HA H 80 4.303 4.284 0.019 1
1 922 . 6 1 1 A 80 80 ASN C C 80 174.823 174.269 0.554 1
1 923 . 6 1 1 A 80 80 ASN CA C 80 54.462 54.264 0.198 1
1 924 . 6 1 1 A 80 80 ASN CB C 80 37.359 36.856 0.503 1
1 925 . 6 1 1 A 80 80 ASN N N 80 113.324 116.501 -3.177 1
1 927 . 6 1 1 A 81 81 LEU H H 81 8.671 7.679 0.992 1
1 928 . 6 1 1 A 81 81 LEU HA H 81 4.252 4.800 -0.548 1
1 938 . 6 1 1 A 81 81 LEU C C 81 175.804 175.789 0.015 1
1 939 . 6 1 1 A 81 81 LEU CA C 81 53.841 53.196 0.645 1
1 940 . 6 1 1 A 81 81 LEU CB C 81 40.891 43.516 -2.625 1
1 944 . 6 1 1 A 81 81 LEU N N 81 117.886 119.095 -1.209 1
1 945 . 6 1 1 A 82 82 LEU H H 82 8.448 8.907 -0.459 1
1 946 . 6 1 1 A 82 82 LEU HA H 82 4.600 4.790 -0.190 1
1 956 . 6 1 1 A 82 82 LEU C C 82 175.149 174.951 0.198 1
1 957 . 6 1 1 A 82 82 LEU CA C 82 52.629 52.589 0.040 1
1 958 . 6 1 1 A 82 82 LEU CB C 82 42.449 41.315 1.134 1
1 962 . 6 1 1 A 82 82 LEU N N 82 121.118 122.409 -1.291 1
1 963 . 6 1 1 A 83 83 PRO HA H 83 5.237 4.378 0.859 1
1 970 . 6 1 1 A 83 83 PRO C C 83 178.145 177.352 0.793 1
1 971 . 6 1 1 A 83 83 PRO CA C 83 62.472 63.356 -0.884 1
1 972 . 6 1 1 A 83 83 PRO CB C 83 33.232 32.244 0.988 1
1 975 . 6 1 1 A 84 84 ASP H H 84 7.943 9.009 -1.066 1
1 976 . 6 1 1 A 84 84 ASP HA H 84 4.208 4.306 -0.098 1
1 979 . 6 1 1 A 84 84 ASP C C 84 174.476 174.646 -0.170 1
1 980 . 6 1 1 A 84 84 ASP CA C 84 54.250 54.993 -0.743 1
1 981 . 6 1 1 A 84 84 ASP CB C 84 41.568 39.564 2.004 1
1 982 . 6 1 1 A 84 84 ASP N N 84 126.496 121.474 5.022 1
1 983 . 6 1 1 A 85 85 THR H H 85 8.261 8.041 0.220 1
1 984 . 6 1 1 A 85 85 THR HA H 85 4.381 4.553 -0.172 1
1 989 . 6 1 1 A 85 85 THR C C 85 170.639 173.006 -2.367 1
1 990 . 6 1 1 A 85 85 THR CA C 85 62.951 61.271 1.680 1
1 991 . 6 1 1 A 85 85 THR CB C 85 72.217 71.178 1.039 1
1 993 . 6 1 1 A 85 85 THR N N 85 114.015 112.850 1.165 1
1 994 . 6 1 1 A 86 86 GLN H H 86 8.221 8.412 -0.191 1
1 995 . 6 1 1 A 86 86 GLN HA H 86 3.664 4.227 -0.563 1
1 1002 . 6 1 1 A 86 86 GLN C C 86 172.890 174.078 -1.188 1
1 1003 . 6 1 1 A 86 86 GLN CA C 86 54.585 55.007 -0.422 1
1 1004 . 6 1 1 A 86 86 GLN CB C 86 28.836 28.370 0.466 1
1 1006 . 6 1 1 A 86 86 GLN N N 86 127.039 126.570 0.469 1
1 1008 . 6 1 1 A 87 87 TYR H H 87 8.976 8.671 0.305 1
1 1009 . 6 1 1 A 87 87 TYR HA H 87 4.583 4.917 -0.334 1
1 1016 . 6 1 1 A 87 87 TYR C C 87 173.534 174.829 -1.295 1
1 1017 . 6 1 1 A 87 87 TYR CA C 87 57.599 55.797 1.802 1
1 1018 . 6 1 1 A 87 87 TYR CB C 87 42.344 40.254 2.090 1
1 1023 . 6 1 1 A 87 87 TYR N N 87 126.060 126.883 -0.823 1
1 1024 . 6 1 1 A 88 88 PHE H H 88 8.388 8.316 0.072 1
1 1025 . 6 1 1 A 88 88 PHE HA H 88 4.902 4.766 0.136 1
1 1033 . 6 1 1 A 88 88 PHE C C 88 175.238 174.668 0.570 1
1 1034 . 6 1 1 A 88 88 PHE CA C 88 55.872 56.883 -1.011 1
1 1035 . 6 1 1 A 88 88 PHE CB C 88 40.284 37.540 2.744 1
1 1041 . 6 1 1 A 88 88 PHE N N 88 118.991 123.276 -4.285 1
1 1042 . 6 1 1 A 89 89 ILE H H 89 8.450 8.739 -0.289 1
1 1043 . 6 1 1 A 89 89 ILE HA H 89 4.913 4.860 0.053 1
1 1053 . 6 1 1 A 89 89 ILE C C 89 174.770 175.222 -0.452 1
1 1054 . 6 1 1 A 89 89 ILE CA C 89 60.472 60.166 0.306 1
1 1055 . 6 1 1 A 89 89 ILE CB C 89 43.167 38.932 4.235 1
1 1059 . 6 1 1 A 89 89 ILE N N 89 118.943 125.673 -6.730 1
1 1060 . 6 1 1 A 90 90 GLU H H 90 9.071 8.589 0.482 1
1 1061 . 6 1 1 A 90 90 GLU HA H 90 4.558 4.855 -0.297 1
1 1066 . 6 1 1 A 90 90 GLU C C 90 173.981 174.710 -0.729 1
1 1067 . 6 1 1 A 90 90 GLU CA C 90 54.831 55.102 -0.271 1
1 1068 . 6 1 1 A 90 90 GLU CB C 90 35.052 33.448 1.604 1
1 1070 . 6 1 1 A 90 90 GLU N N 90 124.044 126.813 -2.769 1
1 1071 . 6 1 1 A 91 91 VAL H H 91 8.564 8.547 0.017 1
1 1072 . 6 1 1 A 91 91 VAL HA H 91 4.968 4.695 0.273 1
1 1080 . 6 1 1 A 91 91 VAL C C 91 174.488 175.011 -0.523 1
1 1081 . 6 1 1 A 91 91 VAL CA C 91 60.525 60.506 0.019 1
1 1082 . 6 1 1 A 91 91 VAL CB C 91 34.308 32.715 1.593 1
1 1085 . 6 1 1 A 91 91 VAL N N 91 121.165 127.677 -6.512 1
1 1086 . 6 1 1 A 92 92 GLY H H 92 8.941 8.758 0.183 1
1 1087 . 6 1 1 A 92 92 GLY HA2 H 92 4.571 4.320 0.251 1
1 1088 . 6 1 1 A 92 92 GLY HA3 H 92 3.581 4.324 -0.743 1
1 1089 . 6 1 1 A 92 92 GLY C C 92 171.577 171.478 0.099 1
1 1090 . 6 1 1 A 92 92 GLY CA C 92 43.640 44.612 -0.972 1
1 1091 . 6 1 1 A 92 92 GLY N N 92 112.251 114.364 -2.113 1
1 1092 . 6 1 1 A 93 93 ALA H H 93 10.001 8.760 1.241 1
1 1093 . 6 1 1 A 93 93 ALA HA H 93 4.560 5.105 -0.545 1
1 1097 . 6 1 1 A 93 93 ALA C C 93 176.786 176.293 0.493 1
1 1098 . 6 1 1 A 93 93 ALA CA C 93 51.060 50.119 0.941 1
1 1099 . 6 1 1 A 93 93 ALA CB C 93 21.088 21.923 -0.835 1
1 1100 . 6 1 1 A 93 93 ALA N N 93 126.200 125.169 1.031 1
1 1101 . 6 1 1 A 94 94 CYS H H 94 8.739 8.050 0.689 1
1 1102 . 6 1 1 A 94 94 CYS HA H 94 5.214 4.989 0.225 1
1 1105 . 6 1 1 A 94 94 CYS C C 94 174.087 173.060 1.027 1
1 1106 . 6 1 1 A 94 94 CYS CA C 94 57.088 57.305 -0.217 1
1 1107 . 6 1 1 A 94 94 CYS CB C 94 31.345 31.411 -0.066 1
1 1108 . 6 1 1 A 94 94 CYS N N 94 118.064 117.924 0.140 1
1 1109 . 6 1 1 A 95 95 ASN H H 95 8.968 8.360 0.608 1
1 1110 . 6 1 1 A 95 95 ASN HA H 95 4.593 4.997 -0.404 1
1 1115 . 6 1 1 A 95 95 ASN C C 95 176.009 175.987 0.022 1
1 1116 . 6 1 1 A 95 95 ASN CA C 95 52.981 50.621 2.360 1
1 1117 . 6 1 1 A 95 95 ASN CB C 95 39.336 40.018 -0.682 1
1 1118 . 6 1 1 A 95 95 ASN N N 95 121.604 119.900 1.704 1
1 1120 . 6 1 1 A 96 96 SER H H 96 8.483 8.982 -0.499 1
1 1121 . 6 1 1 A 96 96 SER HA H 96 4.085 4.070 0.015 1
1 1124 . 6 1 1 A 96 96 SER C C 96 174.700 176.677 -1.977 1
1 1125 . 6 1 1 A 96 96 SER CA C 96 61.600 61.521 0.079 1
1 1126 . 6 1 1 A 96 96 SER CB C 96 62.794 62.646 0.148 1
1 1127 . 6 1 1 A 96 96 SER N N 96 113.664 114.612 -0.948 1
1 1128 . 6 1 1 A 97 97 ALA H H 97 8.187 7.701 0.486 1
1 1129 . 6 1 1 A 97 97 ALA HA H 97 4.357 4.098 0.259 1
1 1133 . 6 1 1 A 97 97 ALA C C 97 177.600 177.237 0.363 1
1 1134 . 6 1 1 A 97 97 ALA CA C 97 52.681 55.059 -2.378 1
1 1135 . 6 1 1 A 97 97 ALA CB C 97 19.192 18.802 0.390 1
1 1136 . 6 1 1 A 97 97 ALA N N 97 123.374 122.261 1.113 1
1 1137 . 6 1 1 A 98 98 GLY H H 98 7.800 7.814 -0.014 1
1 1138 . 6 1 1 A 98 98 GLY HA2 H 98 4.444 4.150 0.294 1
1 1139 . 6 1 1 A 98 98 GLY HA3 H 98 3.840 4.150 -0.310 1
1 1140 . 6 1 1 A 98 98 GLY C C 98 171.071 172.392 -1.321 1
1 1141 . 6 1 1 A 98 98 GLY CA C 98 44.809 43.938 0.871 1
1 1142 . 6 1 1 A 98 98 GLY N N 98 106.029 104.338 1.691 1
1 1143 . 6 1 1 A 99 99 CYS H H 99 8.399 8.289 0.110 1
1 1144 . 6 1 1 A 99 99 CYS HA H 99 4.891 5.181 -0.290 1
1 1147 . 6 1 1 A 99 99 CYS C C 99 175.557 174.569 0.988 1
1 1148 . 6 1 1 A 99 99 CYS CA C 99 57.670 58.330 -0.660 1
1 1149 . 6 1 1 A 99 99 CYS CB C 99 29.469 29.789 -0.320 1
1 1150 . 6 1 1 A 99 99 CYS N N 99 117.855 118.692 -0.837 1
1 1151 . 6 1 1 A 100 100 GLY H H 100 8.930 8.577 0.353 1
1 1152 . 6 1 1 A 100 100 GLY HA2 H 100 4.282 4.282 0.000 1
1 1153 . 6 1 1 A 100 100 GLY HA3 H 100 3.764 4.293 -0.529 1
1 1154 . 6 1 1 A 100 100 GLY C C 100 170.974 171.962 -0.988 1
1 1155 . 6 1 1 A 100 100 GLY CA C 100 45.578 43.874 1.704 1
1 1156 . 6 1 1 A 100 100 GLY N N 100 113.025 109.902 3.123 1
1 1157 . 6 1 1 A 101 101 PRO HA H 101 4.616 4.602 0.014 1
1 1164 . 6 1 1 A 101 101 PRO CA C 101 60.598 62.181 -1.583 1
1 1165 . 6 1 1 A 101 101 PRO CB C 101 30.874 31.796 -0.922 1
1 1168 . 6 1 1 A 102 102 PRO HA H 102 4.659 4.519 0.140 1
1 1175 . 6 1 1 A 102 102 PRO C C 102 178.078 176.587 1.491 1
1 1176 . 6 1 1 A 102 102 PRO CA C 102 62.111 62.451 -0.340 1
1 1177 . 6 1 1 A 102 102 PRO CB C 102 32.383 31.939 0.444 1
1 1180 . 6 1 1 A 103 103 SER H H 103 8.732 8.111 0.621 1
1 1181 . 6 1 1 A 103 103 SER HA H 103 4.222 4.651 -0.429 1
1 1184 . 6 1 1 A 103 103 SER C C 103 173.155 174.032 -0.877 1
1 1185 . 6 1 1 A 103 103 SER CA C 103 58.321 57.397 0.924 1
1 1186 . 6 1 1 A 103 103 SER CB C 103 65.815 65.540 0.275 1
1 1187 . 6 1 1 A 103 103 SER N N 103 113.387 114.903 -1.516 1
1 1188 . 6 1 1 A 104 104 ASP H H 104 8.248 8.745 -0.497 1
1 1189 . 6 1 1 A 104 104 ASP HA H 104 4.472 4.465 0.007 1
1 1192 . 6 1 1 A 104 104 ASP C C 104 176.703 176.542 0.161 1
1 1193 . 6 1 1 A 104 104 ASP CA C 104 55.573 55.003 0.570 1
1 1194 . 6 1 1 A 104 104 ASP CB C 104 40.583 40.489 0.094 1
1 1195 . 6 1 1 A 104 104 ASP N N 104 119.021 120.955 -1.934 1
1 1196 . 6 1 1 A 105 105 MET H H 105 8.460 8.554 -0.094 1
1 1197 . 6 1 1 A 105 105 MET HA H 105 4.542 4.669 -0.127 1
1 1205 . 6 1 1 A 105 105 MET C C 105 175.687 175.165 0.522 1
1 1206 . 6 1 1 A 105 105 MET CA C 105 56.348 55.973 0.375 1
1 1207 . 6 1 1 A 105 105 MET CB C 105 33.610 33.111 0.499 1
1 1210 . 6 1 1 A 105 105 MET N N 105 124.915 123.684 1.231 1
1 1211 . 6 1 1 A 106 106 ILE H H 106 8.914 8.764 0.150 1
1 1212 . 6 1 1 A 106 106 ILE HA H 106 4.571 4.955 -0.384 1
1 1222 . 6 1 1 A 106 106 ILE C C 106 173.498 175.929 -2.431 1
1 1223 . 6 1 1 A 106 106 ILE CA C 106 59.185 60.333 -1.148 1
1 1224 . 6 1 1 A 106 106 ILE CB C 106 40.786 40.365 0.421 1
1 1228 . 6 1 1 A 106 106 ILE N N 106 126.141 127.376 -1.235 1
1 1229 . 6 1 1 A 107 107 GLU H H 107 7.999 8.951 -0.952 1
1 1230 . 6 1 1 A 107 107 GLU HA H 107 5.373 5.097 0.276 1
1 1235 . 6 1 1 A 107 107 GLU C C 107 175.263 175.582 -0.319 1
1 1236 . 6 1 1 A 107 107 GLU CA C 107 53.343 55.181 -1.838 1
1 1237 . 6 1 1 A 107 107 GLU CB C 107 32.951 31.930 1.021 1
1 1239 . 6 1 1 A 107 107 GLU N N 107 121.346 123.554 -2.208 1
1 1240 . 6 1 1 A 108 108 ALA H H 108 8.685 9.121 -0.436 1
1 1241 . 6 1 1 A 108 108 ALA HA H 108 4.549 5.708 -1.159 1
1 1245 . 6 1 1 A 108 108 ALA C C 108 174.431 175.929 -1.498 1
1 1246 . 6 1 1 A 108 108 ALA CA C 108 51.113 49.963 1.150 1
1 1247 . 6 1 1 A 108 108 ALA CB C 108 23.724 22.957 0.767 1
1 1248 . 6 1 1 A 108 108 ALA N N 108 123.009 124.890 -1.881 1
1 1249 . 6 1 1 A 109 109 PHE H H 109 8.519 9.221 -0.702 1
1 1250 . 6 1 1 A 109 109 PHE HA H 109 5.481 5.101 0.380 1
1 1258 . 6 1 1 A 109 109 PHE C C 109 177.604 175.839 1.765 1
1 1259 . 6 1 1 A 109 109 PHE CA C 109 55.854 56.543 -0.689 1
1 1260 . 6 1 1 A 109 109 PHE CB C 109 41.019 40.840 0.179 1
1 1266 . 6 1 1 A 109 109 PHE N N 109 119.997 118.172 1.825 1
1 1267 . 6 1 1 A 110 110 THR H H 110 8.839 8.929 -0.090 1
1 1268 . 6 1 1 A 110 110 THR HA H 110 4.103 4.567 -0.464 1
1 1273 . 6 1 1 A 110 110 THR C C 110 175.354 174.146 1.208 1
1 1274 . 6 1 1 A 110 110 THR CA C 110 61.763 61.430 0.333 1
1 1275 . 6 1 1 A 110 110 THR CB C 110 69.356 71.370 -2.014 1
1 1277 . 6 1 1 A 110 110 THR N N 110 112.067 116.791 -4.724 1
1 1278 . 6 1 1 A 111 111 LYS H H 111 6.542 8.365 -1.823 1
1 1279 . 6 1 1 A 111 111 LYS HA H 111 4.208 4.663 -0.455 1
1 1288 . 6 1 1 A 111 111 LYS C C 111 176.693 176.700 -0.007 1
1 1289 . 6 1 1 A 111 111 LYS CA C 111 56.383 54.584 1.799 1
1 1290 . 6 1 1 A 111 111 LYS CB C 111 33.447 34.363 -0.916 1
1 1294 . 6 1 1 A 111 111 LYS N N 111 116.497 120.574 -4.077 1
1 1295 . 6 1 1 A 112 112 LYS H H 112 8.230 8.448 -0.218 1
1 1296 . 6 1 1 A 112 112 LYS HA H 112 4.143 4.539 -0.396 1
1 1304 . 6 1 1 A 112 112 LYS C C 112 176.823 176.403 0.420 1
1 1305 . 6 1 1 A 112 112 LYS CA C 112 57.229 55.806 1.423 1
1 1306 . 6 1 1 A 112 112 LYS CB C 112 33.528 33.022 0.506 1
1 1310 . 6 1 1 A 112 112 LYS N N 112 118.783 121.564 -2.781 1
1 1311 . 6 1 1 A 113 113 ALA H H 113 8.762 8.394 0.368 1
1 1312 . 6 1 1 A 113 113 ALA HA H 113 4.338 4.242 0.096 1
1 1316 . 6 1 1 A 113 113 ALA C C 113 177.688 177.212 0.476 1
1 1317 . 6 1 1 A 113 113 ALA CA C 113 52.417 52.909 -0.492 1
1 1318 . 6 1 1 A 113 113 ALA CB C 113 19.272 18.963 0.309 1
1 1319 . 6 1 1 A 113 113 ALA N N 113 124.432 128.418 -3.986 1
1 1320 . 6 1 1 A 114 114 SER H H 114 8.386 8.892 -0.506 1
1 1321 . 6 1 1 A 114 114 SER HA H 114 4.487 4.782 -0.295 1
1 1324 . 6 1 1 A 114 114 SER C C 114 174.474 174.851 -0.377 1
1 1325 . 6 1 1 A 114 114 SER CA C 114 58.063 57.892 0.171 1
1 1326 . 6 1 1 A 114 114 SER CB C 114 64.012 63.943 0.069 1
1 1327 . 6 1 1 A 114 114 SER N N 114 115.798 119.221 -3.423 1
1 1328 . 6 1 1 A 115 115 GLY H H 115 8.278 8.523 -0.245 1
1 1329 . 6 1 1 A 115 115 GLY HA2 H 115 4.172 4.097 0.075 1
1 1330 . 6 1 1 A 115 115 GLY HA3 H 115 4.094 4.097 -0.003 1
1 1331 . 6 1 1 A 115 115 GLY C C 115 171.799 174.679 -2.880 1
1 1332 . 6 1 1 A 115 115 GLY CA C 115 44.662 43.938 0.724 1
1 1333 . 6 1 1 A 115 115 GLY N N 115 110.600 113.455 -2.855 1
1 1334 . 6 1 1 A 116 116 PRO HA H 116 4.472 4.391 0.081 1
1 1341 . 6 1 1 A 116 116 PRO C C 116 177.440 176.490 0.950 1
1 1342 . 6 1 1 A 116 116 PRO CA C 116 63.275 64.878 -1.603 1
1 1343 . 6 1 1 A 116 116 PRO CB C 116 32.169 32.033 0.136 1
1 1346 . 6 1 1 A 117 117 SER HA H 117 4.505 4.705 -0.200 1
1 1348 . 6 1 1 A 117 117 SER C C 117 174.652 173.734 0.918 1
1 1349 . 6 1 1 A 117 117 SER CA C 117 58.393 56.904 1.489 1
1 1350 . 6 1 1 A 117 117 SER CB C 117 63.899 65.564 -1.665 1
1 1351 . 6 1 1 A 117 117 SER N N 117 116.140 113.713 2.427 1
1 1352 . 6 1 1 A 118 118 SER H H 118 8.314 8.515 -0.201 1
1 1353 . 6 1 1 A 118 118 SER HA H 118 4.494 5.106 -0.612 1
1 1355 . 6 1 1 A 118 118 SER C C 118 173.938 174.822 -0.884 1
1 1356 . 6 1 1 A 118 118 SER CA C 118 58.428 56.005 2.423 1
1 1357 . 6 1 1 A 118 118 SER CB C 118 63.929 66.344 -2.415 1
1 1358 . 6 1 1 A 118 118 SER N N 118 117.760 116.877 0.883 1
1 6 . 7 1 1 A 4 4 GLY H H 4 8.507 8.955 -0.448 1
1 7 . 7 1 1 A 4 4 GLY HA2 H 4 4.513 4.151 0.362 1
1 8 . 7 1 1 A 4 4 GLY HA3 H 4 3.859 4.152 -0.293 1
1 9 . 7 1 1 A 4 4 GLY CA C 4 44.199 44.816 -0.617 1
1 10 . 7 1 1 A 4 4 GLY N N 4 116.148 108.345 7.803 1
1 11 . 7 1 1 A 6 6 SER HA H 6 4.472 4.078 0.394 1
1 13 . 7 1 1 A 6 6 SER C C 6 174.998 174.506 0.492 1
1 14 . 7 1 1 A 6 6 SER CA C 6 58.657 59.031 -0.374 1
1 15 . 7 1 1 A 6 6 SER CB C 6 64.025 61.486 2.539 1
1 16 . 7 1 1 A 7 7 GLY H H 7 8.399 8.188 0.211 1
1 17 . 7 1 1 A 7 7 GLY HA2 H 7 3.963 4.078 -0.115 1
1 18 . 7 1 1 A 7 7 GLY HA3 H 7 3.963 4.078 -0.115 1
1 19 . 7 1 1 A 7 7 GLY C C 7 173.942 173.112 0.830 1
1 20 . 7 1 1 A 7 7 GLY CA C 7 45.332 46.005 -0.673 1
1 21 . 7 1 1 A 7 7 GLY N N 7 110.856 107.624 3.232 1
1 22 . 7 1 1 A 8 8 VAL H H 8 7.919 7.508 0.411 1
1 23 . 7 1 1 A 8 8 VAL HA H 8 4.101 4.783 -0.682 1
1 31 . 7 1 1 A 8 8 VAL C C 8 175.827 174.848 0.979 1
1 32 . 7 1 1 A 8 8 VAL CA C 8 61.987 61.072 0.915 1
1 33 . 7 1 1 A 8 8 VAL CB C 8 32.786 34.014 -1.228 1
1 36 . 7 1 1 A 8 8 VAL N N 8 119.305 119.499 -0.194 1
1 37 . 7 1 1 A 9 9 ALA H H 9 8.367 8.705 -0.338 1
1 38 . 7 1 1 A 9 9 ALA HA H 9 4.329 4.849 -0.520 1
1 42 . 7 1 1 A 9 9 ALA C C 9 177.422 175.924 1.498 1
1 43 . 7 1 1 A 9 9 ALA CA C 9 52.399 51.736 0.663 1
1 44 . 7 1 1 A 9 9 ALA CB C 9 19.317 23.071 -3.754 1
1 45 . 7 1 1 A 9 9 ALA N N 9 128.175 127.621 0.554 1
1 46 . 7 1 1 A 10 10 VAL H H 10 8.154 8.658 -0.504 1
1 47 . 7 1 1 A 10 10 VAL HA H 10 4.046 4.792 -0.746 1
1 55 . 7 1 1 A 10 10 VAL C C 10 176.076 176.136 -0.060 1
1 56 . 7 1 1 A 10 10 VAL CA C 10 62.288 59.426 2.862 1
1 57 . 7 1 1 A 10 10 VAL CB C 10 32.786 34.475 -1.689 1
1 60 . 7 1 1 A 10 10 VAL N N 10 120.641 114.819 5.822 1
1 61 . 7 1 1 A 11 11 ILE H H 11 8.261 8.687 -0.426 1
1 62 . 7 1 1 A 11 11 ILE HA H 11 4.148 4.215 -0.067 1
1 72 . 7 1 1 A 11 11 ILE C C 11 175.857 174.922 0.935 1
1 73 . 7 1 1 A 11 11 ILE CA C 11 60.842 60.622 0.220 1
1 74 . 7 1 1 A 11 11 ILE CB C 11 38.776 37.382 1.394 1
1 78 . 7 1 1 A 11 11 ILE N N 11 125.253 118.542 6.711 1
1 79 . 7 1 1 A 12 12 ASN H H 12 8.575 7.709 0.866 1
1 80 . 7 1 1 A 12 12 ASN HA H 12 4.737 5.179 -0.442 1
1 85 . 7 1 1 A 12 12 ASN C C 12 175.004 174.996 0.008 1
1 86 . 7 1 1 A 12 12 ASN CA C 12 53.087 52.040 1.047 1
1 87 . 7 1 1 A 12 12 ASN CB C 12 39.076 41.324 -2.248 1
1 88 . 7 1 1 A 12 12 ASN N N 12 123.538 120.767 2.771 1
1 90 . 7 1 1 A 13 13 SER H H 13 8.317 8.796 -0.479 1
1 91 . 7 1 1 A 13 13 SER HA H 13 4.373 4.446 -0.073 1
1 94 . 7 1 1 A 13 13 SER C C 13 174.118 174.572 -0.454 1
1 95 . 7 1 1 A 13 13 SER CA C 13 58.375 58.226 0.149 1
1 96 . 7 1 1 A 13 13 SER CB C 13 63.866 64.185 -0.319 1
1 97 . 7 1 1 A 13 13 SER N N 13 116.982 120.373 -3.391 1
1 98 . 7 1 1 A 14 14 ALA H H 14 8.317 8.467 -0.150 1
1 99 . 7 1 1 A 14 14 ALA HA H 14 4.285 4.749 -0.464 1
1 103 . 7 1 1 A 14 14 ALA C C 14 177.298 176.426 0.872 1
1 104 . 7 1 1 A 14 14 ALA CA C 14 52.628 50.169 2.459 1
1 105 . 7 1 1 A 14 14 ALA CB C 14 19.192 23.514 -4.322 1
1 106 . 7 1 1 A 14 14 ALA N N 14 125.606 122.685 2.921 1
1 107 . 7 1 1 A 15 15 GLN H H 15 8.221 8.524 -0.303 1
1 108 . 7 1 1 A 15 15 GLN HA H 15 4.237 4.591 -0.354 1
1 115 . 7 1 1 A 15 15 GLN C C 15 174.741 175.178 -0.437 1
1 116 . 7 1 1 A 15 15 GLN CA C 15 55.925 56.106 -0.181 1
1 117 . 7 1 1 A 15 15 GLN CB C 15 29.990 30.708 -0.718 1
1 119 . 7 1 1 A 15 15 GLN N N 15 119.248 117.811 1.437 1
1 121 . 7 1 1 A 16 16 ASP H H 16 7.898 7.860 0.038 1
1 122 . 7 1 1 A 16 16 ASP HA H 16 4.714 5.000 -0.286 1
1 125 . 7 1 1 A 16 16 ASP C C 16 175.219 173.861 1.358 1
1 126 . 7 1 1 A 16 16 ASP CA C 16 53.387 53.197 0.190 1
1 127 . 7 1 1 A 16 16 ASP CB C 16 42.771 44.310 -1.539 1
1 128 . 7 1 1 A 16 16 ASP N N 16 119.674 118.759 0.915 1
1 129 . 7 1 1 A 17 17 ALA H H 17 8.256 8.516 -0.260 1
1 130 . 7 1 1 A 17 17 ALA HA H 17 4.549 4.814 -0.265 1
1 134 . 7 1 1 A 17 17 ALA C C 17 174.226 174.107 0.119 1
1 135 . 7 1 1 A 17 17 ALA CA C 17 50.514 49.789 0.725 1
1 136 . 7 1 1 A 17 17 ALA CB C 17 16.689 22.338 -5.649 1
1 137 . 7 1 1 A 17 17 ALA N N 17 123.830 123.035 0.795 1
1 138 . 7 1 1 A 18 18 PRO HA H 18 4.247 4.985 -0.738 1
1 145 . 7 1 1 A 18 18 PRO CA C 18 63.135 62.724 0.411 1
1 146 . 7 1 1 A 18 18 PRO CB C 18 31.866 31.897 -0.031 1
1 149 . 7 1 1 A 19 19 SER HA H 19 4.524 4.590 -0.066 1
1 152 . 7 1 1 A 19 19 SER C C 19 173.934 173.919 0.015 1
1 153 . 7 1 1 A 19 19 SER CA C 19 58.657 58.924 -0.267 1
1 154 . 7 1 1 A 19 19 SER CB C 19 65.246 65.196 0.050 1
1 155 . 7 1 1 A 20 20 GLU H H 20 7.589 7.759 -0.170 1
1 156 . 7 1 1 A 20 20 GLU HA H 20 4.604 4.811 -0.207 1
1 161 . 7 1 1 A 20 20 GLU C C 20 175.082 175.267 -0.185 1
1 162 . 7 1 1 A 20 20 GLU CA C 20 54.762 55.855 -1.093 1
1 163 . 7 1 1 A 20 20 GLU CB C 20 33.405 31.411 1.994 1
1 165 . 7 1 1 A 20 20 GLU N N 20 121.739 120.981 0.758 1
1 166 . 7 1 1 A 21 21 ALA H H 21 8.564 8.782 -0.218 1
1 167 . 7 1 1 A 21 21 ALA HA H 21 4.995 4.932 0.063 1
1 171 . 7 1 1 A 21 21 ALA C C 21 175.731 174.616 1.115 1
1 172 . 7 1 1 A 21 21 ALA CA C 21 49.341 49.340 0.001 1
1 173 . 7 1 1 A 21 21 ALA CB C 21 19.388 22.018 -2.630 1
1 174 . 7 1 1 A 21 21 ALA N N 21 125.054 127.808 -2.754 1
1 175 . 7 1 1 A 22 22 PRO HA H 22 4.529 4.866 -0.337 1
1 182 . 7 1 1 A 22 22 PRO C C 22 174.830 176.307 -1.477 1
1 183 . 7 1 1 A 22 22 PRO CA C 22 63.076 62.745 0.331 1
1 184 . 7 1 1 A 22 22 PRO CB C 22 32.294 31.703 0.591 1
1 187 . 7 1 1 A 23 23 THR H H 23 7.442 8.409 -0.967 1
1 188 . 7 1 1 A 23 23 THR HA H 23 4.663 4.756 -0.093 1
1 193 . 7 1 1 A 23 23 THR C C 23 172.878 174.436 -1.558 1
1 194 . 7 1 1 A 23 23 THR CA C 23 59.961 61.010 -1.049 1
1 195 . 7 1 1 A 23 23 THR CB C 23 72.337 70.780 1.557 1
1 197 . 7 1 1 A 23 23 THR N N 23 109.039 118.757 -9.718 1
1 198 . 7 1 1 A 24 24 GLU H H 24 8.782 8.872 -0.090 1
1 199 . 7 1 1 A 24 24 GLU HA H 24 3.911 3.842 0.069 1
1 204 . 7 1 1 A 24 24 GLU C C 24 175.816 175.808 0.008 1
1 205 . 7 1 1 A 24 24 GLU CA C 24 56.172 57.164 -0.992 1
1 206 . 7 1 1 A 24 24 GLU CB C 24 27.761 27.696 0.065 1
1 208 . 7 1 1 A 24 24 GLU N N 24 115.227 119.020 -3.793 1
1 209 . 7 1 1 A 25 25 VAL H H 25 8.030 8.094 -0.064 1
1 210 . 7 1 1 A 25 25 VAL HA H 25 4.891 4.199 0.692 1
1 218 . 7 1 1 A 25 25 VAL C C 25 177.065 176.459 0.606 1
1 219 . 7 1 1 A 25 25 VAL CA C 25 62.446 62.696 -0.250 1
1 220 . 7 1 1 A 25 25 VAL CB C 25 31.471 32.521 -1.050 1
1 223 . 7 1 1 A 25 25 VAL N N 25 119.529 119.772 -0.243 1
1 224 . 7 1 1 A 26 26 GLY H H 26 8.796 9.052 -0.256 1
1 225 . 7 1 1 A 26 26 GLY HA2 H 26 4.420 4.371 0.049 1
1 226 . 7 1 1 A 26 26 GLY HA3 H 26 3.646 4.386 -0.740 1
1 227 . 7 1 1 A 26 26 GLY C C 26 170.874 172.951 -2.077 1
1 228 . 7 1 1 A 26 26 GLY CA C 26 44.468 43.858 0.610 1
1 229 . 7 1 1 A 26 26 GLY N N 26 114.560 112.556 2.004 1
1 230 . 7 1 1 A 27 27 VAL H H 27 8.332 8.847 -0.515 1
1 231 . 7 1 1 A 27 27 VAL HA H 27 5.508 5.247 0.261 1
1 239 . 7 1 1 A 27 27 VAL C C 27 175.652 173.758 1.894 1
1 240 . 7 1 1 A 27 27 VAL CA C 27 58.279 59.910 -1.631 1
1 241 . 7 1 1 A 27 27 VAL CB C 27 36.230 34.933 1.297 1
1 244 . 7 1 1 A 27 27 VAL N N 27 110.792 118.105 -7.313 1
1 245 . 7 1 1 A 28 28 LYS H H 28 9.143 9.203 -0.060 1
1 246 . 7 1 1 A 28 28 LYS HA H 28 4.550 5.104 -0.554 1
1 254 . 7 1 1 A 28 28 LYS C C 28 175.150 175.305 -0.155 1
1 255 . 7 1 1 A 28 28 LYS CA C 28 55.396 54.896 0.500 1
1 256 . 7 1 1 A 28 28 LYS CB C 28 35.134 35.173 -0.039 1
1 260 . 7 1 1 A 28 28 LYS N N 28 123.314 126.427 -3.113 1
1 261 . 7 1 1 A 29 29 VAL H H 29 9.190 8.929 0.261 1
1 262 . 7 1 1 A 29 29 VAL HA H 29 3.939 4.140 -0.201 1
1 270 . 7 1 1 A 29 29 VAL C C 29 176.162 175.582 0.580 1
1 271 . 7 1 1 A 29 29 VAL CA C 29 64.332 62.829 1.503 1
1 272 . 7 1 1 A 29 29 VAL CB C 29 31.417 30.397 1.020 1
1 275 . 7 1 1 A 29 29 VAL N N 29 127.176 127.237 -0.061 1
1 276 . 7 1 1 A 30 30 LEU H H 30 8.108 8.356 -0.248 1
1 277 . 7 1 1 A 30 30 LEU HA H 30 4.375 4.023 0.352 1
1 287 . 7 1 1 A 30 30 LEU C C 30 177.477 177.107 0.370 1
1 288 . 7 1 1 A 30 30 LEU CA C 30 55.886 57.288 -1.402 1
1 289 . 7 1 1 A 30 30 LEU CB C 30 42.498 42.224 0.274 1
1 293 . 7 1 1 A 30 30 LEU N N 30 128.053 130.126 -2.073 1
1 294 . 7 1 1 A 31 31 SER H H 31 8.152 8.070 0.082 1
1 295 . 7 1 1 A 31 31 SER HA H 31 4.748 4.752 -0.004 1
1 298 . 7 1 1 A 31 31 SER C C 31 173.427 174.467 -1.040 1
1 299 . 7 1 1 A 31 31 SER CA C 31 57.811 57.331 0.480 1
1 300 . 7 1 1 A 31 31 SER CB C 31 64.517 66.878 -2.361 1
1 301 . 7 1 1 A 31 31 SER N N 31 112.798 111.166 1.632 1
1 302 . 7 1 1 A 32 32 SER H H 32 8.450 8.733 -0.283 1
1 303 . 7 1 1 A 32 32 SER HA H 32 4.604 4.217 0.387 1
1 306 . 7 1 1 A 32 32 SER C C 32 172.423 175.010 -2.587 1
1 307 . 7 1 1 A 32 32 SER CA C 32 59.414 61.409 -1.995 1
1 308 . 7 1 1 A 32 32 SER CB C 32 63.903 62.559 1.344 1
1 309 . 7 1 1 A 32 32 SER N N 32 112.687 117.807 -5.120 1
1 310 . 7 1 1 A 33 33 SER H H 33 8.355 7.859 0.496 1
1 311 . 7 1 1 A 33 33 SER HA H 33 4.759 4.546 0.213 1
1 314 . 7 1 1 A 33 33 SER C C 33 173.940 173.454 0.486 1
1 315 . 7 1 1 A 33 33 SER CA C 33 57.229 57.210 0.019 1
1 316 . 7 1 1 A 33 33 SER CB C 33 66.786 63.327 3.459 1
1 317 . 7 1 1 A 33 33 SER N N 33 109.767 111.344 -1.577 1
1 318 . 7 1 1 A 34 34 GLU H H 34 6.978 7.491 -0.513 1
1 319 . 7 1 1 A 34 34 GLU HA H 34 5.487 5.152 0.335 1
1 324 . 7 1 1 A 34 34 GLU C C 34 175.294 174.659 0.635 1
1 325 . 7 1 1 A 34 34 GLU CA C 34 55.130 55.182 -0.052 1
1 326 . 7 1 1 A 34 34 GLU CB C 34 35.711 32.597 3.114 1
1 328 . 7 1 1 A 34 34 GLU N N 34 119.009 120.654 -1.645 1
1 329 . 7 1 1 A 35 35 ILE H H 35 8.190 8.552 -0.362 1
1 330 . 7 1 1 A 35 35 ILE HA H 35 4.477 4.942 -0.465 1
1 340 . 7 1 1 A 35 35 ILE C C 35 173.681 173.752 -0.071 1
1 341 . 7 1 1 A 35 35 ILE CA C 35 60.203 60.061 0.142 1
1 342 . 7 1 1 A 35 35 ILE CB C 35 43.791 41.951 1.840 1
1 346 . 7 1 1 A 35 35 ILE N N 35 120.691 124.706 -4.015 1
1 347 . 7 1 1 A 36 36 SER H H 36 9.269 9.187 0.082 1
1 348 . 7 1 1 A 36 36 SER HA H 36 5.300 5.077 0.223 1
1 351 . 7 1 1 A 36 36 SER C C 36 172.945 173.517 -0.572 1
1 352 . 7 1 1 A 36 36 SER CA C 36 56.549 56.937 -0.388 1
1 353 . 7 1 1 A 36 36 SER CB C 36 64.591 64.434 0.157 1
1 354 . 7 1 1 A 36 36 SER N N 36 120.471 122.414 -1.943 1
1 355 . 7 1 1 A 37 37 VAL H H 37 9.000 8.463 0.537 1
1 356 . 7 1 1 A 37 37 VAL HA H 37 4.902 4.538 0.364 1
1 364 . 7 1 1 A 37 37 VAL C C 37 173.530 174.852 -1.322 1
1 365 . 7 1 1 A 37 37 VAL CA C 37 60.261 61.702 -1.441 1
1 366 . 7 1 1 A 37 37 VAL CB C 37 35.001 33.568 1.433 1
1 369 . 7 1 1 A 37 37 VAL N N 37 127.009 124.884 2.125 1
1 370 . 7 1 1 A 38 38 HIS H H 38 8.779 8.643 0.136 1
1 371 . 7 1 1 A 38 38 HIS HA H 38 5.238 4.931 0.307 1
1 376 . 7 1 1 A 38 38 HIS C C 38 173.545 175.279 -1.734 1
1 377 . 7 1 1 A 38 38 HIS CA C 38 54.991 54.081 0.910 1
1 378 . 7 1 1 A 38 38 HIS CB C 38 32.564 31.174 1.390 1
1 381 . 7 1 1 A 38 38 HIS N N 38 123.115 125.180 -2.065 1
1 382 . 7 1 1 A 39 39 TRP H H 39 7.682 8.136 -0.454 1
1 383 . 7 1 1 A 39 39 TRP HA H 39 5.044 5.469 -0.425 1
1 392 . 7 1 1 A 39 39 TRP C C 39 173.585 173.517 0.068 1
1 393 . 7 1 1 A 39 39 TRP CA C 39 57.170 54.385 2.785 1
1 394 . 7 1 1 A 39 39 TRP CB C 39 31.554 32.542 -0.988 1
1 400 . 7 1 1 A 39 39 TRP N N 39 116.447 123.222 -6.775 1
1 402 . 7 1 1 A 40 40 GLU H H 40 8.522 9.074 -0.552 1
1 403 . 7 1 1 A 40 40 GLU HA H 40 4.619 5.078 -0.459 1
1 408 . 7 1 1 A 40 40 GLU C C 40 177.186 176.490 0.696 1
1 409 . 7 1 1 A 40 40 GLU CA C 40 54.356 54.681 -0.325 1
1 410 . 7 1 1 A 40 40 GLU CB C 40 30.344 32.872 -2.528 1
1 412 . 7 1 1 A 40 40 GLU N N 40 117.208 120.673 -3.465 1
1 413 . 7 1 1 A 41 41 HIS H H 41 8.477 8.837 -0.360 1
1 414 . 7 1 1 A 41 41 HIS HA H 41 4.748 4.685 0.063 1
1 419 . 7 1 1 A 41 41 HIS C C 41 177.474 175.603 1.871 1
1 420 . 7 1 1 A 41 41 HIS CA C 41 54.779 57.409 -2.630 1
1 421 . 7 1 1 A 41 41 HIS CB C 41 31.140 30.656 0.484 1
1 424 . 7 1 1 A 41 41 HIS N N 41 119.083 124.880 -5.797 1
1 425 . 7 1 1 A 42 42 VAL H H 42 7.680 8.428 -0.748 1
1 426 . 7 1 1 A 42 42 VAL HA H 42 4.428 4.537 -0.109 1
1 434 . 7 1 1 A 42 42 VAL C C 42 175.401 177.226 -1.825 1
1 435 . 7 1 1 A 42 42 VAL CA C 42 60.878 61.039 -0.161 1
1 436 . 7 1 1 A 42 42 VAL CB C 42 32.216 33.396 -1.180 1
1 439 . 7 1 1 A 42 42 VAL N N 42 114.975 119.952 -4.977 1
1 440 . 7 1 1 A 43 43 LEU H H 43 9.107 8.835 0.272 1
1 441 . 7 1 1 A 43 43 LEU HA H 43 4.303 4.107 0.196 1
1 451 . 7 1 1 A 43 43 LEU C C 43 178.603 177.517 1.086 1
1 452 . 7 1 1 A 43 43 LEU CA C 43 55.872 57.508 -1.636 1
1 453 . 7 1 1 A 43 43 LEU CB C 43 41.684 41.542 0.142 1
1 457 . 7 1 1 A 43 43 LEU N N 43 123.877 123.567 0.310 1
1 458 . 7 1 1 A 44 44 GLU H H 44 7.988 7.730 0.258 1
1 459 . 7 1 1 A 44 44 GLU HA H 44 4.152 4.420 -0.268 1
1 464 . 7 1 1 A 44 44 GLU C C 44 177.236 176.499 0.737 1
1 465 . 7 1 1 A 44 44 GLU CA C 44 57.282 56.333 0.949 1
1 466 . 7 1 1 A 44 44 GLU CB C 44 31.033 30.243 0.790 1
1 468 . 7 1 1 A 44 44 GLU N N 44 119.655 121.395 -1.740 1
1 469 . 7 1 1 A 45 45 LYS H H 45 8.596 8.940 -0.344 1
1 470 . 7 1 1 A 45 45 LYS HA H 45 4.295 4.400 -0.105 1
1 479 . 7 1 1 A 45 45 LYS C C 45 177.258 178.061 -0.803 1
1 480 . 7 1 1 A 45 45 LYS CA C 45 57.170 57.199 -0.029 1
1 481 . 7 1 1 A 45 45 LYS CB C 45 32.204 32.509 -0.305 1
1 485 . 7 1 1 A 45 45 LYS N N 45 120.518 126.947 -6.429 1
1 486 . 7 1 1 A 46 46 ILE H H 46 7.212 7.699 -0.487 1
1 487 . 7 1 1 A 46 46 ILE HA H 46 4.371 4.085 0.286 1
1 497 . 7 1 1 A 46 46 ILE C C 46 175.191 176.280 -1.089 1
1 498 . 7 1 1 A 46 46 ILE CA C 46 60.666 63.856 -3.190 1
1 499 . 7 1 1 A 46 46 ILE CB C 46 37.531 37.441 0.090 1
1 503 . 7 1 1 A 46 46 ILE N N 46 111.434 114.269 -2.835 1
1 504 . 7 1 1 A 47 47 VAL H H 47 7.378 7.252 0.126 1
1 505 . 7 1 1 A 47 47 VAL HA H 47 3.658 3.813 -0.155 1
1 513 . 7 1 1 A 47 47 VAL C C 47 175.157 175.553 -0.396 1
1 514 . 7 1 1 A 47 47 VAL CA C 47 63.521 62.323 1.198 1
1 515 . 7 1 1 A 47 47 VAL CB C 47 33.570 32.129 1.441 1
1 518 . 7 1 1 A 47 47 VAL N N 47 122.780 122.467 0.313 1
1 519 . 7 1 1 A 48 48 GLU H H 48 8.733 8.709 0.024 1
1 520 . 7 1 1 A 48 48 GLU HA H 48 4.615 4.304 0.311 1
1 525 . 7 1 1 A 48 48 GLU C C 48 176.241 176.367 -0.126 1
1 526 . 7 1 1 A 48 48 GLU CA C 48 56.701 58.237 -1.536 1
1 527 . 7 1 1 A 48 48 GLU CB C 48 32.966 30.932 2.034 1
1 529 . 7 1 1 A 48 48 GLU N N 48 124.835 124.663 0.172 1
1 530 . 7 1 1 A 49 49 SER H H 49 8.130 7.572 0.558 1
1 531 . 7 1 1 A 49 49 SER HA H 49 4.726 4.517 0.209 1
1 534 . 7 1 1 A 49 49 SER C C 49 171.371 171.303 0.068 1
1 535 . 7 1 1 A 49 49 SER CA C 49 57.440 57.344 0.096 1
1 536 . 7 1 1 A 49 49 SER CB C 49 66.073 65.253 0.820 1
1 537 . 7 1 1 A 49 49 SER N N 49 114.231 111.287 2.944 1
1 538 . 7 1 1 A 50 50 TYR H H 50 8.681 8.832 -0.151 1
1 539 . 7 1 1 A 50 50 TYR HA H 50 5.057 5.061 -0.004 1
1 546 . 7 1 1 A 50 50 TYR C C 50 174.034 174.505 -0.471 1
1 547 . 7 1 1 A 50 50 TYR CA C 50 57.434 56.300 1.134 1
1 548 . 7 1 1 A 50 50 TYR CB C 50 41.437 39.335 2.102 1
1 553 . 7 1 1 A 50 50 TYR N N 50 115.301 121.660 -6.359 1
1 554 . 7 1 1 A 51 51 GLN H H 51 9.200 8.499 0.701 1
1 555 . 7 1 1 A 51 51 GLN HA H 51 5.144 4.610 0.534 1
1 562 . 7 1 1 A 51 51 GLN C C 51 173.878 174.645 -0.767 1
1 563 . 7 1 1 A 51 51 GLN CA C 51 53.669 55.722 -2.053 1
1 564 . 7 1 1 A 51 51 GLN CB C 51 32.783 29.346 3.437 1
1 566 . 7 1 1 A 51 51 GLN N N 51 119.842 124.598 -4.756 1
1 568 . 7 1 1 A 52 52 ILE H H 52 9.441 9.017 0.424 1
1 569 . 7 1 1 A 52 52 ILE HA H 52 4.803 4.834 -0.031 1
1 579 . 7 1 1 A 52 52 ILE C C 52 174.953 175.601 -0.648 1
1 580 . 7 1 1 A 52 52 ILE CA C 52 61.054 60.424 0.630 1
1 581 . 7 1 1 A 52 52 ILE CB C 52 39.108 38.145 0.963 1
1 585 . 7 1 1 A 52 52 ILE N N 52 128.547 128.681 -0.134 1
1 586 . 7 1 1 A 53 53 ARG H H 53 9.169 9.181 -0.012 1
1 587 . 7 1 1 A 53 53 ARG HA H 53 5.628 5.129 0.499 1
1 594 . 7 1 1 A 53 53 ARG C C 53 174.869 175.683 -0.814 1
1 595 . 7 1 1 A 53 53 ARG CA C 53 54.479 56.560 -2.081 1
1 596 . 7 1 1 A 53 53 ARG CB C 53 33.942 32.119 1.823 1
1 599 . 7 1 1 A 53 53 ARG N N 53 127.779 127.073 0.706 1
1 600 . 7 1 1 A 54 54 TYR H H 54 8.671 8.863 -0.192 1
1 601 . 7 1 1 A 54 54 TYR HA H 54 6.310 5.723 0.587 1
1 608 . 7 1 1 A 54 54 TYR C C 54 173.965 173.924 0.041 1
1 609 . 7 1 1 A 54 54 TYR CA C 54 55.291 57.168 -1.877 1
1 610 . 7 1 1 A 54 54 TYR CB C 54 41.930 40.791 1.139 1
1 615 . 7 1 1 A 54 54 TYR N N 54 117.929 117.353 0.576 1
1 616 . 7 1 1 A 55 55 TRP H H 55 8.928 8.777 0.151 1
1 617 . 7 1 1 A 55 55 TRP HA H 55 5.054 5.213 -0.159 1
1 626 . 7 1 1 A 55 55 TRP C C 55 172.613 173.288 -0.675 1
1 627 . 7 1 1 A 55 55 TRP CA C 55 56.577 55.784 0.793 1
1 628 . 7 1 1 A 55 55 TRP CB C 55 32.118 30.915 1.203 1
1 634 . 7 1 1 A 55 55 TRP N N 55 121.459 119.060 2.399 1
1 636 . 7 1 1 A 56 56 ALA H H 56 8.870 8.267 0.603 1
1 637 . 7 1 1 A 56 56 ALA HA H 56 4.053 3.721 0.332 1
1 641 . 7 1 1 A 56 56 ALA C C 56 179.868 177.962 1.906 1
1 642 . 7 1 1 A 56 56 ALA CA C 56 50.478 51.479 -1.001 1
1 643 . 7 1 1 A 56 56 ALA CB C 56 19.108 18.512 0.596 1
1 644 . 7 1 1 A 56 56 ALA N N 56 124.214 123.010 1.204 1
1 645 . 7 1 1 A 57 57 ALA H H 57 8.147 8.106 0.041 1
1 646 . 7 1 1 A 57 57 ALA HA H 57 3.913 4.097 -0.184 1
1 650 . 7 1 1 A 57 57 ALA C C 57 178.479 179.852 -1.373 1
1 651 . 7 1 1 A 57 57 ALA CA C 57 54.832 55.581 -0.749 1
1 652 . 7 1 1 A 57 57 ALA CB C 57 19.317 18.314 1.003 1
1 653 . 7 1 1 A 57 57 ALA N N 57 120.999 123.990 -2.991 1
1 654 . 7 1 1 A 58 58 HIS H H 58 7.274 7.401 -0.127 1
1 655 . 7 1 1 A 58 58 HIS HA H 58 4.605 4.403 0.202 1
1 660 . 7 1 1 A 58 58 HIS C C 58 175.349 175.485 -0.136 1
1 661 . 7 1 1 A 58 58 HIS CA C 58 56.066 58.304 -2.238 1
1 662 . 7 1 1 A 58 58 HIS CB C 58 29.780 28.956 0.824 1
1 665 . 7 1 1 A 58 58 HIS N N 58 109.961 113.926 -3.965 1
1 666 . 7 1 1 A 59 59 ASP H H 59 7.945 7.252 0.693 1
1 667 . 7 1 1 A 59 59 ASP HA H 59 4.869 4.704 0.165 1
1 670 . 7 1 1 A 59 59 ASP C C 59 175.895 175.932 -0.037 1
1 671 . 7 1 1 A 59 59 ASP CA C 59 53.898 54.866 -0.968 1
1 672 . 7 1 1 A 59 59 ASP CB C 59 42.385 41.514 0.871 1
1 673 . 7 1 1 A 59 59 ASP N N 59 123.825 121.225 2.600 1
1 674 . 7 1 1 A 60 60 LYS H H 60 8.147 8.775 -0.628 1
1 675 . 7 1 1 A 60 60 LYS HA H 60 4.197 4.548 -0.351 1
1 682 . 7 1 1 A 60 60 LYS C C 60 177.212 177.375 -0.163 1
1 683 . 7 1 1 A 60 60 LYS CA C 60 56.121 54.757 1.364 1
1 684 . 7 1 1 A 60 60 LYS CB C 60 32.951 34.221 -1.270 1
1 688 . 7 1 1 A 60 60 LYS N N 60 117.803 121.727 -3.924 1
1 689 . 7 1 1 A 61 61 GLU H H 61 8.381 8.742 -0.361 1
1 690 . 7 1 1 A 61 61 GLU HA H 61 2.603 3.130 -0.527 1
1 695 . 7 1 1 A 61 61 GLU C C 61 178.058 178.533 -0.475 1
1 696 . 7 1 1 A 61 61 GLU CA C 61 58.622 58.468 0.154 1
1 697 . 7 1 1 A 61 61 GLU CB C 61 28.709 28.803 -0.094 1
1 699 . 7 1 1 A 61 61 GLU N N 61 122.310 120.890 1.420 1
1 700 . 7 1 1 A 62 62 GLU H H 62 8.470 8.800 -0.330 1
1 701 . 7 1 1 A 62 62 GLU HA H 62 3.919 3.981 -0.062 1
1 706 . 7 1 1 A 62 62 GLU C C 62 176.293 177.502 -1.209 1
1 707 . 7 1 1 A 62 62 GLU CA C 62 57.899 59.081 -1.182 1
1 708 . 7 1 1 A 62 62 GLU CB C 62 28.796 29.024 -0.228 1
1 710 . 7 1 1 A 62 62 GLU N N 62 117.600 119.060 -1.460 1
1 711 . 7 1 1 A 63 63 ALA H H 63 7.760 7.129 0.631 1
1 712 . 7 1 1 A 63 63 ALA HA H 63 4.443 4.371 0.072 1
1 716 . 7 1 1 A 63 63 ALA C C 63 176.867 177.134 -0.267 1
1 717 . 7 1 1 A 63 63 ALA CA C 63 51.095 51.433 -0.338 1
1 718 . 7 1 1 A 63 63 ALA CB C 63 18.845 19.098 -0.253 1
1 719 . 7 1 1 A 63 63 ALA N N 63 123.067 120.784 2.283 1
1 720 . 7 1 1 A 64 64 ALA H H 64 7.389 6.871 0.518 1
1 721 . 7 1 1 A 64 64 ALA HA H 64 4.175 4.235 -0.060 1
1 725 . 7 1 1 A 64 64 ALA C C 64 177.784 177.495 0.289 1
1 726 . 7 1 1 A 64 64 ALA CA C 64 53.099 51.717 1.382 1
1 727 . 7 1 1 A 64 64 ALA CB C 64 19.784 19.066 0.718 1
1 728 . 7 1 1 A 64 64 ALA N N 64 121.409 121.322 0.087 1
1 729 . 7 1 1 A 65 65 ASN H H 65 8.152 8.103 0.049 1
1 730 . 7 1 1 A 65 65 ASN HA H 65 4.714 4.807 -0.093 1
1 735 . 7 1 1 A 65 65 ASN C C 65 173.533 174.677 -1.144 1
1 736 . 7 1 1 A 65 65 ASN CA C 65 52.523 53.124 -0.601 1
1 737 . 7 1 1 A 65 65 ASN CB C 65 40.739 39.103 1.636 1
1 738 . 7 1 1 A 65 65 ASN N N 65 119.620 119.844 -0.224 1
1 740 . 7 1 1 A 66 66 ARG H H 66 8.366 9.048 -0.682 1
1 741 . 7 1 1 A 66 66 ARG HA H 66 5.760 5.908 -0.148 1
1 748 . 7 1 1 A 66 66 ARG C C 66 175.946 173.872 2.074 1
1 749 . 7 1 1 A 66 66 ARG CA C 66 54.902 54.855 0.047 1
1 750 . 7 1 1 A 66 66 ARG CB C 66 34.116 34.091 0.025 1
1 753 . 7 1 1 A 66 66 ARG N N 66 116.911 118.393 -1.482 1
1 754 . 7 1 1 A 67 67 VAL H H 67 9.057 8.747 0.310 1
1 755 . 7 1 1 A 67 67 VAL HA H 67 4.520 4.769 -0.249 1
1 763 . 7 1 1 A 67 67 VAL C C 67 173.731 174.374 -0.643 1
1 764 . 7 1 1 A 67 67 VAL CA C 67 60.845 61.162 -0.317 1
1 765 . 7 1 1 A 67 67 VAL CB C 67 35.917 34.284 1.633 1
1 768 . 7 1 1 A 67 67 VAL N N 67 122.047 122.303 -0.256 1
1 769 . 7 1 1 A 68 68 GLN H H 68 8.741 8.918 -0.177 1
1 770 . 7 1 1 A 68 68 GLN HA H 68 5.543 4.801 0.742 1
1 777 . 7 1 1 A 68 68 GLN C C 68 175.452 175.513 -0.061 1
1 778 . 7 1 1 A 68 68 GLN CA C 68 54.462 54.661 -0.199 1
1 779 . 7 1 1 A 68 68 GLN CB C 68 32.087 29.944 2.143 1
1 781 . 7 1 1 A 68 68 GLN N N 68 124.250 127.582 -3.332 1
1 783 . 7 1 1 A 69 69 VAL H H 69 8.912 8.865 0.047 1
1 784 . 7 1 1 A 69 69 VAL HA H 69 5.012 4.961 0.051 1
1 792 . 7 1 1 A 69 69 VAL C C 69 175.870 175.443 0.427 1
1 793 . 7 1 1 A 69 69 VAL CA C 69 59.045 59.834 -0.789 1
1 794 . 7 1 1 A 69 69 VAL CB C 69 35.106 34.361 0.745 1
1 797 . 7 1 1 A 69 69 VAL N N 69 117.045 122.995 -5.950 1
1 798 . 7 1 1 A 70 70 THR H H 70 8.491 8.379 0.112 1
1 799 . 7 1 1 A 70 70 THR HA H 70 4.585 4.406 0.179 1
1 804 . 7 1 1 A 70 70 THR C C 70 175.015 175.790 -0.775 1
1 805 . 7 1 1 A 70 70 THR CA C 70 62.917 62.322 0.595 1
1 806 . 7 1 1 A 70 70 THR CB C 70 70.767 69.819 0.948 1
1 808 . 7 1 1 A 70 70 THR N N 70 111.495 113.940 -2.445 1
1 809 . 7 1 1 A 71 71 SER H H 71 7.522 8.954 -1.432 1
1 810 . 7 1 1 A 71 71 SER HA H 71 4.148 4.357 -0.209 1
1 813 . 7 1 1 A 71 71 SER C C 71 174.340 176.902 -2.562 1
1 814 . 7 1 1 A 71 71 SER CA C 71 59.749 61.239 -1.490 1
1 815 . 7 1 1 A 71 71 SER CB C 71 63.060 62.556 0.504 1
1 816 . 7 1 1 A 71 71 SER N N 71 111.553 119.614 -8.061 1
1 817 . 7 1 1 A 72 72 GLN H H 72 7.718 8.063 -0.345 1
1 818 . 7 1 1 A 72 72 GLN HA H 72 4.428 4.234 0.194 1
1 823 . 7 1 1 A 72 72 GLN C C 72 176.456 177.160 -0.704 1
1 824 . 7 1 1 A 72 72 GLN CA C 72 56.630 58.655 -2.025 1
1 825 . 7 1 1 A 72 72 GLN CB C 72 29.373 28.739 0.634 1
1 827 . 7 1 1 A 72 72 GLN N N 72 117.502 118.898 -1.396 1
1 829 . 7 1 1 A 73 73 GLU H H 73 7.650 8.041 -0.391 1
1 830 . 7 1 1 A 73 73 GLU HA H 73 4.408 4.603 -0.195 1
1 835 . 7 1 1 A 73 73 GLU C C 73 176.484 176.329 0.155 1
1 836 . 7 1 1 A 73 73 GLU CA C 73 56.472 56.182 0.290 1
1 837 . 7 1 1 A 73 73 GLU CB C 73 31.962 30.006 1.956 1
1 839 . 7 1 1 A 73 73 GLU N N 73 119.175 119.470 -0.295 1
1 840 . 7 1 1 A 74 74 TYR H H 74 8.615 8.871 -0.256 1
1 841 . 7 1 1 A 74 74 TYR HA H 74 3.427 4.245 -0.818 1
1 848 . 7 1 1 A 74 74 TYR C C 74 171.853 175.136 -3.283 1
1 849 . 7 1 1 A 74 74 TYR CA C 74 56.565 60.206 -3.641 1
1 850 . 7 1 1 A 74 74 TYR CB C 74 39.410 38.017 1.393 1
1 855 . 7 1 1 A 74 74 TYR N N 74 118.997 125.157 -6.160 1
1 856 . 7 1 1 A 75 75 SER H H 75 6.801 7.852 -1.051 1
1 857 . 7 1 1 A 75 75 SER HA H 75 5.001 4.065 0.936 1
1 860 . 7 1 1 A 75 75 SER C C 75 172.976 172.183 0.793 1
1 861 . 7 1 1 A 75 75 SER CA C 75 56.154 56.511 -0.357 1
1 862 . 7 1 1 A 75 75 SER CB C 75 66.541 66.669 -0.128 1
1 863 . 7 1 1 A 75 75 SER N N 75 109.803 111.280 -1.477 1
1 864 . 7 1 1 A 76 76 ALA H H 76 8.897 8.644 0.253 1
1 865 . 7 1 1 A 76 76 ALA HA H 76 4.604 5.153 -0.549 1
1 869 . 7 1 1 A 76 76 ALA C C 76 174.777 175.181 -0.404 1
1 870 . 7 1 1 A 76 76 ALA CA C 76 51.359 50.696 0.663 1
1 871 . 7 1 1 A 76 76 ALA CB C 76 23.140 24.225 -1.085 1
1 872 . 7 1 1 A 76 76 ALA N N 76 120.416 123.490 -3.074 1
1 873 . 7 1 1 A 77 77 ARG H H 77 8.529 8.561 -0.032 1
1 874 . 7 1 1 A 77 77 ARG HA H 77 4.681 5.011 -0.330 1
1 881 . 7 1 1 A 77 77 ARG C C 77 174.533 174.038 0.495 1
1 882 . 7 1 1 A 77 77 ARG CA C 77 54.973 54.498 0.475 1
1 883 . 7 1 1 A 77 77 ARG CB C 77 31.839 34.100 -2.261 1
1 886 . 7 1 1 A 77 77 ARG N N 77 121.172 119.222 1.950 1
1 887 . 7 1 1 A 78 78 LEU H H 78 9.089 8.904 0.185 1
1 888 . 7 1 1 A 78 78 LEU HA H 78 4.396 5.112 -0.716 1
1 898 . 7 1 1 A 78 78 LEU C C 78 175.107 175.378 -0.271 1
1 899 . 7 1 1 A 78 78 LEU CA C 78 53.333 53.167 0.166 1
1 900 . 7 1 1 A 78 78 LEU CB C 78 41.272 45.373 -4.101 1
1 904 . 7 1 1 A 78 78 LEU N N 78 126.698 127.089 -0.391 1
1 905 . 7 1 1 A 79 79 GLU H H 79 8.239 8.661 -0.422 1
1 906 . 7 1 1 A 79 79 GLU HA H 79 5.034 4.992 0.042 1
1 911 . 7 1 1 A 79 79 GLU C C 79 174.792 175.545 -0.753 1
1 912 . 7 1 1 A 79 79 GLU CA C 79 54.056 54.596 -0.540 1
1 913 . 7 1 1 A 79 79 GLU CB C 79 33.692 33.092 0.600 1
1 915 . 7 1 1 A 79 79 GLU N N 79 119.147 120.801 -1.654 1
1 916 . 7 1 1 A 80 80 ASN H H 80 9.068 8.697 0.371 1
1 917 . 7 1 1 A 80 80 ASN HA H 80 4.303 4.311 -0.008 1
1 922 . 7 1 1 A 80 80 ASN C C 80 174.823 174.037 0.786 1
1 923 . 7 1 1 A 80 80 ASN CA C 80 54.462 54.230 0.232 1
1 924 . 7 1 1 A 80 80 ASN CB C 80 37.359 37.145 0.214 1
1 925 . 7 1 1 A 80 80 ASN N N 80 113.324 116.435 -3.111 1
1 927 . 7 1 1 A 81 81 LEU H H 81 8.671 7.623 1.048 1
1 928 . 7 1 1 A 81 81 LEU HA H 81 4.252 4.691 -0.439 1
1 938 . 7 1 1 A 81 81 LEU C C 81 175.804 176.003 -0.199 1
1 939 . 7 1 1 A 81 81 LEU CA C 81 53.841 53.163 0.678 1
1 940 . 7 1 1 A 81 81 LEU CB C 81 40.891 43.392 -2.501 1
1 944 . 7 1 1 A 81 81 LEU N N 81 117.886 118.767 -0.881 1
1 945 . 7 1 1 A 82 82 LEU H H 82 8.448 8.425 0.023 1
1 946 . 7 1 1 A 82 82 LEU HA H 82 4.600 4.742 -0.142 1
1 956 . 7 1 1 A 82 82 LEU C C 82 175.149 174.687 0.462 1
1 957 . 7 1 1 A 82 82 LEU CA C 82 52.629 52.857 -0.228 1
1 958 . 7 1 1 A 82 82 LEU CB C 82 42.449 41.361 1.088 1
1 962 . 7 1 1 A 82 82 LEU N N 82 121.118 122.683 -1.565 1
1 963 . 7 1 1 A 83 83 PRO HA H 83 5.237 4.368 0.869 1
1 970 . 7 1 1 A 83 83 PRO C C 83 178.145 177.260 0.885 1
1 971 . 7 1 1 A 83 83 PRO CA C 83 62.472 63.175 -0.703 1
1 972 . 7 1 1 A 83 83 PRO CB C 83 33.232 32.307 0.925 1
1 975 . 7 1 1 A 84 84 ASP H H 84 7.943 9.233 -1.290 1
1 976 . 7 1 1 A 84 84 ASP HA H 84 4.208 4.553 -0.345 1
1 979 . 7 1 1 A 84 84 ASP C C 84 174.476 174.766 -0.290 1
1 980 . 7 1 1 A 84 84 ASP CA C 84 54.250 55.025 -0.775 1
1 981 . 7 1 1 A 84 84 ASP CB C 84 41.568 39.534 2.034 1
1 982 . 7 1 1 A 84 84 ASP N N 84 126.496 121.597 4.899 1
1 983 . 7 1 1 A 85 85 THR H H 85 8.261 8.071 0.190 1
1 984 . 7 1 1 A 85 85 THR HA H 85 4.381 4.650 -0.269 1
1 989 . 7 1 1 A 85 85 THR C C 85 170.639 172.893 -2.254 1
1 990 . 7 1 1 A 85 85 THR CA C 85 62.951 61.215 1.736 1
1 991 . 7 1 1 A 85 85 THR CB C 85 72.217 72.113 0.104 1
1 993 . 7 1 1 A 85 85 THR N N 85 114.015 112.445 1.570 1
1 994 . 7 1 1 A 86 86 GLN H H 86 8.221 8.419 -0.198 1
1 995 . 7 1 1 A 86 86 GLN HA H 86 3.664 3.697 -0.033 1
1 1002 . 7 1 1 A 86 86 GLN C C 86 172.890 173.923 -1.033 1
1 1003 . 7 1 1 A 86 86 GLN CA C 86 54.585 55.206 -0.621 1
1 1004 . 7 1 1 A 86 86 GLN CB C 86 28.836 29.011 -0.175 1
1 1006 . 7 1 1 A 86 86 GLN N N 86 127.039 126.388 0.651 1
1 1008 . 7 1 1 A 87 87 TYR H H 87 8.976 8.492 0.484 1
1 1009 . 7 1 1 A 87 87 TYR HA H 87 4.583 4.876 -0.293 1
1 1016 . 7 1 1 A 87 87 TYR C C 87 173.534 174.612 -1.078 1
1 1017 . 7 1 1 A 87 87 TYR CA C 87 57.599 56.213 1.386 1
1 1018 . 7 1 1 A 87 87 TYR CB C 87 42.344 40.562 1.782 1
1 1023 . 7 1 1 A 87 87 TYR N N 87 126.060 125.410 0.650 1
1 1024 . 7 1 1 A 88 88 PHE H H 88 8.388 8.097 0.291 1
1 1025 . 7 1 1 A 88 88 PHE HA H 88 4.902 4.807 0.095 1
1 1033 . 7 1 1 A 88 88 PHE C C 88 175.238 174.813 0.425 1
1 1034 . 7 1 1 A 88 88 PHE CA C 88 55.872 57.290 -1.418 1
1 1035 . 7 1 1 A 88 88 PHE CB C 88 40.284 38.049 2.235 1
1 1041 . 7 1 1 A 88 88 PHE N N 88 118.991 122.713 -3.722 1
1 1042 . 7 1 1 A 89 89 ILE H H 89 8.450 8.839 -0.389 1
1 1043 . 7 1 1 A 89 89 ILE HA H 89 4.913 5.127 -0.214 1
1 1053 . 7 1 1 A 89 89 ILE C C 89 174.770 174.884 -0.114 1
1 1054 . 7 1 1 A 89 89 ILE CA C 89 60.472 60.290 0.182 1
1 1055 . 7 1 1 A 89 89 ILE CB C 89 43.167 39.677 3.490 1
1 1059 . 7 1 1 A 89 89 ILE N N 89 118.943 124.760 -5.817 1
1 1060 . 7 1 1 A 90 90 GLU H H 90 9.071 8.931 0.140 1
1 1061 . 7 1 1 A 90 90 GLU HA H 90 4.558 5.348 -0.790 1
1 1066 . 7 1 1 A 90 90 GLU C C 90 173.981 174.795 -0.814 1
1 1067 . 7 1 1 A 90 90 GLU CA C 90 54.831 54.932 -0.101 1
1 1068 . 7 1 1 A 90 90 GLU CB C 90 35.052 33.840 1.212 1
1 1070 . 7 1 1 A 90 90 GLU N N 90 124.044 127.709 -3.665 1
1 1071 . 7 1 1 A 91 91 VAL H H 91 8.564 8.614 -0.050 1
1 1072 . 7 1 1 A 91 91 VAL HA H 91 4.968 5.019 -0.051 1
1 1080 . 7 1 1 A 91 91 VAL C C 91 174.488 174.885 -0.397 1
1 1081 . 7 1 1 A 91 91 VAL CA C 91 60.525 60.526 -0.001 1
1 1082 . 7 1 1 A 91 91 VAL CB C 91 34.308 33.977 0.331 1
1 1085 . 7 1 1 A 91 91 VAL N N 91 121.165 126.048 -4.883 1
1 1086 . 7 1 1 A 92 92 GLY H H 92 8.941 8.574 0.367 1
1 1087 . 7 1 1 A 92 92 GLY HA2 H 92 4.571 4.313 0.258 1
1 1088 . 7 1 1 A 92 92 GLY HA3 H 92 3.581 4.319 -0.738 1
1 1089 . 7 1 1 A 92 92 GLY C C 92 171.577 172.272 -0.695 1
1 1090 . 7 1 1 A 92 92 GLY CA C 92 43.640 44.713 -1.073 1
1 1091 . 7 1 1 A 92 92 GLY N N 92 112.251 114.762 -2.511 1
1 1092 . 7 1 1 A 93 93 ALA H H 93 10.001 8.661 1.340 1
1 1093 . 7 1 1 A 93 93 ALA HA H 93 4.560 4.309 0.251 1
1 1097 . 7 1 1 A 93 93 ALA C C 93 176.786 177.055 -0.269 1
1 1098 . 7 1 1 A 93 93 ALA CA C 93 51.060 51.844 -0.784 1
1 1099 . 7 1 1 A 93 93 ALA CB C 93 21.088 19.743 1.345 1
1 1100 . 7 1 1 A 93 93 ALA N N 93 126.200 123.771 2.429 1
1 1101 . 7 1 1 A 94 94 CYS H H 94 8.739 8.184 0.555 1
1 1102 . 7 1 1 A 94 94 CYS HA H 94 5.214 5.002 0.212 1
1 1105 . 7 1 1 A 94 94 CYS C C 94 174.087 172.980 1.107 1
1 1106 . 7 1 1 A 94 94 CYS CA C 94 57.088 58.153 -1.065 1
1 1107 . 7 1 1 A 94 94 CYS CB C 94 31.345 31.414 -0.069 1
1 1108 . 7 1 1 A 94 94 CYS N N 94 118.064 116.690 1.374 1
1 1109 . 7 1 1 A 95 95 ASN H H 95 8.968 8.143 0.825 1
1 1110 . 7 1 1 A 95 95 ASN HA H 95 4.593 5.014 -0.421 1
1 1115 . 7 1 1 A 95 95 ASN C C 95 176.009 175.830 0.179 1
1 1116 . 7 1 1 A 95 95 ASN CA C 95 52.981 51.090 1.891 1
1 1117 . 7 1 1 A 95 95 ASN CB C 95 39.336 40.514 -1.178 1
1 1118 . 7 1 1 A 95 95 ASN N N 95 121.604 122.005 -0.401 1
1 1120 . 7 1 1 A 96 96 SER H H 96 8.483 9.023 -0.540 1
1 1121 . 7 1 1 A 96 96 SER HA H 96 4.085 4.013 0.072 1
1 1124 . 7 1 1 A 96 96 SER C C 96 174.700 176.284 -1.584 1
1 1125 . 7 1 1 A 96 96 SER CA C 96 61.600 61.182 0.418 1
1 1126 . 7 1 1 A 96 96 SER CB C 96 62.794 62.548 0.246 1
1 1127 . 7 1 1 A 96 96 SER N N 96 113.664 116.989 -3.325 1
1 1128 . 7 1 1 A 97 97 ALA H H 97 8.187 7.565 0.622 1
1 1129 . 7 1 1 A 97 97 ALA HA H 97 4.357 4.194 0.163 1
1 1133 . 7 1 1 A 97 97 ALA C C 97 177.600 176.596 1.004 1
1 1134 . 7 1 1 A 97 97 ALA CA C 97 52.681 54.988 -2.307 1
1 1135 . 7 1 1 A 97 97 ALA CB C 97 19.192 19.214 -0.022 1
1 1136 . 7 1 1 A 97 97 ALA N N 97 123.374 121.413 1.961 1
1 1137 . 7 1 1 A 98 98 GLY H H 98 7.800 7.797 0.003 1
1 1138 . 7 1 1 A 98 98 GLY HA2 H 98 4.444 4.162 0.282 1
1 1139 . 7 1 1 A 98 98 GLY HA3 H 98 3.840 4.162 -0.322 1
1 1140 . 7 1 1 A 98 98 GLY C C 98 171.071 172.898 -1.827 1
1 1141 . 7 1 1 A 98 98 GLY CA C 98 44.809 43.986 0.823 1
1 1142 . 7 1 1 A 98 98 GLY N N 98 106.029 103.655 2.374 1
1 1143 . 7 1 1 A 99 99 CYS H H 99 8.399 8.694 -0.295 1
1 1144 . 7 1 1 A 99 99 CYS HA H 99 4.891 5.219 -0.328 1
1 1147 . 7 1 1 A 99 99 CYS C C 99 175.557 174.448 1.109 1
1 1148 . 7 1 1 A 99 99 CYS CA C 99 57.670 57.492 0.178 1
1 1149 . 7 1 1 A 99 99 CYS CB C 99 29.469 29.883 -0.414 1
1 1150 . 7 1 1 A 99 99 CYS N N 99 117.855 117.670 0.185 1
1 1151 . 7 1 1 A 100 100 GLY H H 100 8.930 8.636 0.294 1
1 1152 . 7 1 1 A 100 100 GLY HA2 H 100 4.282 4.258 0.024 1
1 1153 . 7 1 1 A 100 100 GLY HA3 H 100 3.764 4.263 -0.499 1
1 1154 . 7 1 1 A 100 100 GLY C C 100 170.974 172.119 -1.145 1
1 1155 . 7 1 1 A 100 100 GLY CA C 100 45.578 43.755 1.823 1
1 1156 . 7 1 1 A 100 100 GLY N N 100 113.025 109.082 3.943 1
1 1157 . 7 1 1 A 101 101 PRO HA H 101 4.616 4.626 -0.010 1
1 1164 . 7 1 1 A 101 101 PRO CA C 101 60.598 62.174 -1.576 1
1 1165 . 7 1 1 A 101 101 PRO CB C 101 30.874 31.721 -0.847 1
1 1168 . 7 1 1 A 102 102 PRO HA H 102 4.659 4.510 0.149 1
1 1175 . 7 1 1 A 102 102 PRO C C 102 178.078 176.498 1.580 1
1 1176 . 7 1 1 A 102 102 PRO CA C 102 62.111 62.323 -0.212 1
1 1177 . 7 1 1 A 102 102 PRO CB C 102 32.383 32.185 0.198 1
1 1180 . 7 1 1 A 103 103 SER H H 103 8.732 8.156 0.576 1
1 1181 . 7 1 1 A 103 103 SER HA H 103 4.222 4.632 -0.410 1
1 1184 . 7 1 1 A 103 103 SER C C 103 173.155 173.808 -0.653 1
1 1185 . 7 1 1 A 103 103 SER CA C 103 58.321 57.768 0.553 1
1 1186 . 7 1 1 A 103 103 SER CB C 103 65.815 65.409 0.406 1
1 1187 . 7 1 1 A 103 103 SER N N 103 113.387 114.901 -1.514 1
1 1188 . 7 1 1 A 104 104 ASP H H 104 8.248 8.706 -0.458 1
1 1189 . 7 1 1 A 104 104 ASP HA H 104 4.472 4.568 -0.096 1
1 1192 . 7 1 1 A 104 104 ASP C C 104 176.703 176.385 0.318 1
1 1193 . 7 1 1 A 104 104 ASP CA C 104 55.573 54.532 1.041 1
1 1194 . 7 1 1 A 104 104 ASP CB C 104 40.583 41.319 -0.736 1
1 1195 . 7 1 1 A 104 104 ASP N N 104 119.021 120.536 -1.515 1
1 1196 . 7 1 1 A 105 105 MET H H 105 8.460 8.402 0.058 1
1 1197 . 7 1 1 A 105 105 MET HA H 105 4.542 4.434 0.108 1
1 1205 . 7 1 1 A 105 105 MET C C 105 175.687 175.121 0.566 1
1 1206 . 7 1 1 A 105 105 MET CA C 105 56.348 56.345 0.003 1
1 1207 . 7 1 1 A 105 105 MET CB C 105 33.610 33.135 0.475 1
1 1210 . 7 1 1 A 105 105 MET N N 105 124.915 123.576 1.339 1
1 1211 . 7 1 1 A 106 106 ILE H H 106 8.914 8.653 0.261 1
1 1212 . 7 1 1 A 106 106 ILE HA H 106 4.571 5.004 -0.433 1
1 1222 . 7 1 1 A 106 106 ILE C C 106 173.498 175.785 -2.287 1
1 1223 . 7 1 1 A 106 106 ILE CA C 106 59.185 59.768 -0.583 1
1 1224 . 7 1 1 A 106 106 ILE CB C 106 40.786 40.154 0.632 1
1 1228 . 7 1 1 A 106 106 ILE N N 106 126.141 127.721 -1.580 1
1 1229 . 7 1 1 A 107 107 GLU H H 107 7.999 9.007 -1.008 1
1 1230 . 7 1 1 A 107 107 GLU HA H 107 5.373 5.001 0.372 1
1 1235 . 7 1 1 A 107 107 GLU C C 107 175.263 175.163 0.100 1
1 1236 . 7 1 1 A 107 107 GLU CA C 107 53.343 54.803 -1.460 1
1 1237 . 7 1 1 A 107 107 GLU CB C 107 32.951 32.701 0.250 1
1 1239 . 7 1 1 A 107 107 GLU N N 107 121.346 123.760 -2.414 1
1 1240 . 7 1 1 A 108 108 ALA H H 108 8.685 8.757 -0.072 1
1 1241 . 7 1 1 A 108 108 ALA HA H 108 4.549 5.569 -1.020 1
1 1245 . 7 1 1 A 108 108 ALA C C 108 174.431 175.699 -1.268 1
1 1246 . 7 1 1 A 108 108 ALA CA C 108 51.113 50.147 0.966 1
1 1247 . 7 1 1 A 108 108 ALA CB C 108 23.724 23.150 0.574 1
1 1248 . 7 1 1 A 108 108 ALA N N 108 123.009 123.491 -0.482 1
1 1249 . 7 1 1 A 109 109 PHE H H 109 8.519 9.101 -0.582 1
1 1250 . 7 1 1 A 109 109 PHE HA H 109 5.481 5.040 0.441 1
1 1258 . 7 1 1 A 109 109 PHE C C 109 177.604 175.919 1.685 1
1 1259 . 7 1 1 A 109 109 PHE CA C 109 55.854 56.630 -0.776 1
1 1260 . 7 1 1 A 109 109 PHE CB C 109 41.019 40.897 0.122 1
1 1266 . 7 1 1 A 109 109 PHE N N 109 119.997 118.029 1.968 1
1 1267 . 7 1 1 A 110 110 THR H H 110 8.839 8.441 0.398 1
1 1268 . 7 1 1 A 110 110 THR HA H 110 4.103 4.459 -0.356 1
1 1273 . 7 1 1 A 110 110 THR C C 110 175.354 174.256 1.098 1
1 1274 . 7 1 1 A 110 110 THR CA C 110 61.763 61.459 0.304 1
1 1275 . 7 1 1 A 110 110 THR CB C 110 69.356 71.029 -1.673 1
1 1277 . 7 1 1 A 110 110 THR N N 110 112.067 116.626 -4.559 1
1 1278 . 7 1 1 A 111 111 LYS H H 111 6.542 8.362 -1.820 1
1 1279 . 7 1 1 A 111 111 LYS HA H 111 4.208 4.683 -0.475 1
1 1288 . 7 1 1 A 111 111 LYS C C 111 176.693 176.853 -0.160 1
1 1289 . 7 1 1 A 111 111 LYS CA C 111 56.383 54.642 1.741 1
1 1290 . 7 1 1 A 111 111 LYS CB C 111 33.447 34.284 -0.837 1
1 1294 . 7 1 1 A 111 111 LYS N N 111 116.497 120.561 -4.064 1
1 1295 . 7 1 1 A 112 112 LYS H H 112 8.230 8.472 -0.242 1
1 1296 . 7 1 1 A 112 112 LYS HA H 112 4.143 4.434 -0.291 1
1 1304 . 7 1 1 A 112 112 LYS C C 112 176.823 176.520 0.303 1
1 1305 . 7 1 1 A 112 112 LYS CA C 112 57.229 56.299 0.930 1
1 1306 . 7 1 1 A 112 112 LYS CB C 112 33.528 32.631 0.897 1
1 1310 . 7 1 1 A 112 112 LYS N N 112 118.783 121.246 -2.463 1
1 1311 . 7 1 1 A 113 113 ALA H H 113 8.762 8.396 0.366 1
1 1312 . 7 1 1 A 113 113 ALA HA H 113 4.338 4.377 -0.039 1
1 1316 . 7 1 1 A 113 113 ALA C C 113 177.688 176.928 0.760 1
1 1317 . 7 1 1 A 113 113 ALA CA C 113 52.417 52.343 0.074 1
1 1318 . 7 1 1 A 113 113 ALA CB C 113 19.272 18.363 0.909 1
1 1319 . 7 1 1 A 113 113 ALA N N 113 124.432 128.397 -3.965 1
1 1320 . 7 1 1 A 114 114 SER H H 114 8.386 8.210 0.176 1
1 1321 . 7 1 1 A 114 114 SER HA H 114 4.487 4.961 -0.474 1
1 1324 . 7 1 1 A 114 114 SER C C 114 174.474 172.995 1.479 1
1 1325 . 7 1 1 A 114 114 SER CA C 114 58.063 57.467 0.596 1
1 1326 . 7 1 1 A 114 114 SER CB C 114 64.012 66.099 -2.087 1
1 1327 . 7 1 1 A 114 114 SER N N 114 115.798 118.129 -2.331 1
1 1328 . 7 1 1 A 115 115 GLY H H 115 8.278 8.450 -0.172 1
1 1329 . 7 1 1 A 115 115 GLY HA2 H 115 4.172 4.118 0.054 1
1 1330 . 7 1 1 A 115 115 GLY HA3 H 115 4.094 4.119 -0.025 1
1 1331 . 7 1 1 A 115 115 GLY C C 115 171.799 174.085 -2.286 1
1 1332 . 7 1 1 A 115 115 GLY CA C 115 44.662 44.443 0.219 1
1 1333 . 7 1 1 A 115 115 GLY N N 115 110.600 112.890 -2.290 1
1 1334 . 7 1 1 A 116 116 PRO HA H 116 4.472 4.583 -0.111 1
1 1341 . 7 1 1 A 116 116 PRO C C 116 177.440 176.895 0.545 1
1 1342 . 7 1 1 A 116 116 PRO CA C 116 63.275 62.500 0.775 1
1 1343 . 7 1 1 A 116 116 PRO CB C 116 32.169 32.884 -0.715 1
1 1346 . 7 1 1 A 117 117 SER HA H 117 4.505 4.438 0.067 1
1 1348 . 7 1 1 A 117 117 SER C C 117 174.652 173.810 0.842 1
1 1349 . 7 1 1 A 117 117 SER CA C 117 58.393 58.252 0.141 1
1 1350 . 7 1 1 A 117 117 SER CB C 117 63.899 63.098 0.801 1
1 1351 . 7 1 1 A 117 117 SER N N 117 116.140 115.234 0.906 1
1 1352 . 7 1 1 A 118 118 SER H H 118 8.314 8.856 -0.542 1
1 1353 . 7 1 1 A 118 118 SER HA H 118 4.494 5.044 -0.550 1
1 1355 . 7 1 1 A 118 118 SER C C 118 173.938 173.886 0.052 1
1 1356 . 7 1 1 A 118 118 SER CA C 118 58.428 57.039 1.389 1
1 1357 . 7 1 1 A 118 118 SER CB C 118 63.929 64.694 -0.765 1
1 1358 . 7 1 1 A 118 118 SER N N 118 117.760 123.518 -5.758 1
1 6 . 8 1 1 A 4 4 GLY H H 4 8.507 8.414 0.093 1
1 7 . 8 1 1 A 4 4 GLY HA2 H 4 4.513 4.339 0.174 1
1 8 . 8 1 1 A 4 4 GLY HA3 H 4 3.859 4.340 -0.481 1
1 9 . 8 1 1 A 4 4 GLY CA C 4 44.199 45.545 -1.346 1
1 10 . 8 1 1 A 4 4 GLY N N 4 116.148 112.027 4.121 1
1 11 . 8 1 1 A 6 6 SER HA H 6 4.472 4.721 -0.249 1
1 13 . 8 1 1 A 6 6 SER C C 6 174.998 173.521 1.477 1
1 14 . 8 1 1 A 6 6 SER CA C 6 58.657 57.874 0.783 1
1 15 . 8 1 1 A 6 6 SER CB C 6 64.025 62.892 1.133 1
1 16 . 8 1 1 A 7 7 GLY H H 7 8.399 7.551 0.848 1
1 17 . 8 1 1 A 7 7 GLY HA2 H 7 3.963 4.144 -0.181 1
1 18 . 8 1 1 A 7 7 GLY HA3 H 7 3.963 4.144 -0.181 1
1 19 . 8 1 1 A 7 7 GLY C C 7 173.942 173.199 0.743 1
1 20 . 8 1 1 A 7 7 GLY CA C 7 45.332 45.427 -0.095 1
1 21 . 8 1 1 A 7 7 GLY N N 7 110.856 109.066 1.790 1
1 22 . 8 1 1 A 8 8 VAL H H 8 7.919 8.862 -0.943 1
1 23 . 8 1 1 A 8 8 VAL HA H 8 4.101 4.374 -0.273 1
1 31 . 8 1 1 A 8 8 VAL C C 8 175.827 175.751 0.076 1
1 32 . 8 1 1 A 8 8 VAL CA C 8 61.987 63.052 -1.065 1
1 33 . 8 1 1 A 8 8 VAL CB C 8 32.786 31.891 0.895 1
1 36 . 8 1 1 A 8 8 VAL N N 8 119.305 125.703 -6.398 1
1 37 . 8 1 1 A 9 9 ALA H H 9 8.367 8.760 -0.393 1
1 38 . 8 1 1 A 9 9 ALA HA H 9 4.329 5.143 -0.814 1
1 42 . 8 1 1 A 9 9 ALA C C 9 177.422 175.954 1.468 1
1 43 . 8 1 1 A 9 9 ALA CA C 9 52.399 50.962 1.437 1
1 44 . 8 1 1 A 9 9 ALA CB C 9 19.317 22.766 -3.449 1
1 45 . 8 1 1 A 9 9 ALA N N 9 128.175 128.982 -0.807 1
1 46 . 8 1 1 A 10 10 VAL H H 10 8.154 8.731 -0.577 1
1 47 . 8 1 1 A 10 10 VAL HA H 10 4.046 4.537 -0.491 1
1 55 . 8 1 1 A 10 10 VAL C C 10 176.076 175.230 0.846 1
1 56 . 8 1 1 A 10 10 VAL CA C 10 62.288 61.264 1.024 1
1 57 . 8 1 1 A 10 10 VAL CB C 10 32.786 32.920 -0.134 1
1 60 . 8 1 1 A 10 10 VAL N N 10 120.641 118.924 1.717 1
1 61 . 8 1 1 A 11 11 ILE H H 11 8.261 8.682 -0.421 1
1 62 . 8 1 1 A 11 11 ILE HA H 11 4.148 4.734 -0.586 1
1 72 . 8 1 1 A 11 11 ILE C C 11 175.857 174.567 1.290 1
1 73 . 8 1 1 A 11 11 ILE CA C 11 60.842 60.139 0.703 1
1 74 . 8 1 1 A 11 11 ILE CB C 11 38.776 40.326 -1.550 1
1 78 . 8 1 1 A 11 11 ILE N N 11 125.253 122.128 3.125 1
1 79 . 8 1 1 A 12 12 ASN H H 12 8.575 9.124 -0.549 1
1 80 . 8 1 1 A 12 12 ASN HA H 12 4.737 5.377 -0.640 1
1 85 . 8 1 1 A 12 12 ASN C C 12 175.004 174.166 0.838 1
1 86 . 8 1 1 A 12 12 ASN CA C 12 53.087 52.024 1.063 1
1 87 . 8 1 1 A 12 12 ASN CB C 12 39.076 41.209 -2.133 1
1 88 . 8 1 1 A 12 12 ASN N N 12 123.538 126.975 -3.437 1
1 90 . 8 1 1 A 13 13 SER H H 13 8.317 8.667 -0.350 1
1 91 . 8 1 1 A 13 13 SER HA H 13 4.373 4.831 -0.458 1
1 94 . 8 1 1 A 13 13 SER C C 13 174.118 173.330 0.788 1
1 95 . 8 1 1 A 13 13 SER CA C 13 58.375 56.782 1.593 1
1 96 . 8 1 1 A 13 13 SER CB C 13 63.866 63.639 0.227 1
1 97 . 8 1 1 A 13 13 SER N N 13 116.982 119.642 -2.660 1
1 98 . 8 1 1 A 14 14 ALA H H 14 8.317 8.302 0.015 1
1 99 . 8 1 1 A 14 14 ALA HA H 14 4.285 4.732 -0.447 1
1 103 . 8 1 1 A 14 14 ALA C C 14 177.298 177.018 0.280 1
1 104 . 8 1 1 A 14 14 ALA CA C 14 52.628 51.717 0.911 1
1 105 . 8 1 1 A 14 14 ALA CB C 14 19.192 22.739 -3.547 1
1 106 . 8 1 1 A 14 14 ALA N N 14 125.606 129.266 -3.660 1
1 107 . 8 1 1 A 15 15 GLN H H 15 8.221 8.697 -0.476 1
1 108 . 8 1 1 A 15 15 GLN HA H 15 4.237 4.242 -0.005 1
1 115 . 8 1 1 A 15 15 GLN C C 15 174.741 175.421 -0.680 1
1 116 . 8 1 1 A 15 15 GLN CA C 15 55.925 56.902 -0.977 1
1 117 . 8 1 1 A 15 15 GLN CB C 15 29.990 29.254 0.736 1
1 119 . 8 1 1 A 15 15 GLN N N 15 119.248 119.434 -0.186 1
1 121 . 8 1 1 A 16 16 ASP H H 16 7.898 7.565 0.333 1
1 122 . 8 1 1 A 16 16 ASP HA H 16 4.714 4.993 -0.279 1
1 125 . 8 1 1 A 16 16 ASP C C 16 175.219 173.885 1.334 1
1 126 . 8 1 1 A 16 16 ASP CA C 16 53.387 53.746 -0.359 1
1 127 . 8 1 1 A 16 16 ASP CB C 16 42.771 44.106 -1.335 1
1 128 . 8 1 1 A 16 16 ASP N N 16 119.674 118.628 1.046 1
1 129 . 8 1 1 A 17 17 ALA H H 17 8.256 8.254 0.002 1
1 130 . 8 1 1 A 17 17 ALA HA H 17 4.549 4.825 -0.276 1
1 134 . 8 1 1 A 17 17 ALA C C 17 174.226 174.113 0.113 1
1 135 . 8 1 1 A 17 17 ALA CA C 17 50.514 49.953 0.561 1
1 136 . 8 1 1 A 17 17 ALA CB C 17 16.689 22.414 -5.725 1
1 137 . 8 1 1 A 17 17 ALA N N 17 123.830 123.060 0.770 1
1 138 . 8 1 1 A 18 18 PRO HA H 18 4.247 4.732 -0.485 1
1 145 . 8 1 1 A 18 18 PRO CA C 18 63.135 62.858 0.277 1
1 146 . 8 1 1 A 18 18 PRO CB C 18 31.866 32.113 -0.247 1
1 149 . 8 1 1 A 19 19 SER HA H 19 4.524 4.595 -0.071 1
1 152 . 8 1 1 A 19 19 SER C C 19 173.934 174.050 -0.116 1
1 153 . 8 1 1 A 19 19 SER CA C 19 58.657 58.698 -0.041 1
1 154 . 8 1 1 A 19 19 SER CB C 19 65.246 65.672 -0.426 1
1 155 . 8 1 1 A 20 20 GLU H H 20 7.589 7.783 -0.194 1
1 156 . 8 1 1 A 20 20 GLU HA H 20 4.604 4.676 -0.072 1
1 161 . 8 1 1 A 20 20 GLU C C 20 175.082 175.385 -0.303 1
1 162 . 8 1 1 A 20 20 GLU CA C 20 54.762 55.974 -1.212 1
1 163 . 8 1 1 A 20 20 GLU CB C 20 33.405 31.050 2.355 1
1 165 . 8 1 1 A 20 20 GLU N N 20 121.739 121.107 0.632 1
1 166 . 8 1 1 A 21 21 ALA H H 21 8.564 8.745 -0.181 1
1 167 . 8 1 1 A 21 21 ALA HA H 21 4.995 4.926 0.069 1
1 171 . 8 1 1 A 21 21 ALA C C 21 175.731 175.290 0.441 1
1 172 . 8 1 1 A 21 21 ALA CA C 21 49.341 49.681 -0.340 1
1 173 . 8 1 1 A 21 21 ALA CB C 21 19.388 20.734 -1.346 1
1 174 . 8 1 1 A 21 21 ALA N N 21 125.054 127.478 -2.424 1
1 175 . 8 1 1 A 22 22 PRO HA H 22 4.529 4.869 -0.340 1
1 182 . 8 1 1 A 22 22 PRO C C 22 174.830 176.725 -1.895 1
1 183 . 8 1 1 A 22 22 PRO CA C 22 63.076 62.945 0.131 1
1 184 . 8 1 1 A 22 22 PRO CB C 22 32.294 31.959 0.335 1
1 187 . 8 1 1 A 23 23 THR H H 23 7.442 8.368 -0.926 1
1 188 . 8 1 1 A 23 23 THR HA H 23 4.663 4.737 -0.074 1
1 193 . 8 1 1 A 23 23 THR C C 23 172.878 174.553 -1.675 1
1 194 . 8 1 1 A 23 23 THR CA C 23 59.961 61.070 -1.109 1
1 195 . 8 1 1 A 23 23 THR CB C 23 72.337 70.570 1.767 1
1 197 . 8 1 1 A 23 23 THR N N 23 109.039 118.296 -9.257 1
1 198 . 8 1 1 A 24 24 GLU H H 24 8.782 8.925 -0.143 1
1 199 . 8 1 1 A 24 24 GLU HA H 24 3.911 3.824 0.087 1
1 204 . 8 1 1 A 24 24 GLU C C 24 175.816 174.789 1.027 1
1 205 . 8 1 1 A 24 24 GLU CA C 24 56.172 57.198 -1.026 1
1 206 . 8 1 1 A 24 24 GLU CB C 24 27.761 27.877 -0.116 1
1 208 . 8 1 1 A 24 24 GLU N N 24 115.227 119.060 -3.833 1
1 209 . 8 1 1 A 25 25 VAL H H 25 8.030 7.922 0.108 1
1 210 . 8 1 1 A 25 25 VAL HA H 25 4.891 4.694 0.197 1
1 218 . 8 1 1 A 25 25 VAL C C 25 177.065 175.050 2.015 1
1 219 . 8 1 1 A 25 25 VAL CA C 25 62.446 61.072 1.374 1
1 220 . 8 1 1 A 25 25 VAL CB C 25 31.471 33.518 -2.047 1
1 223 . 8 1 1 A 25 25 VAL N N 25 119.529 118.817 0.712 1
1 224 . 8 1 1 A 26 26 GLY H H 26 8.796 8.575 0.221 1
1 225 . 8 1 1 A 26 26 GLY HA2 H 26 4.420 4.410 0.010 1
1 226 . 8 1 1 A 26 26 GLY HA3 H 26 3.646 4.414 -0.768 1
1 227 . 8 1 1 A 26 26 GLY C C 26 170.874 173.059 -2.185 1
1 228 . 8 1 1 A 26 26 GLY CA C 26 44.468 44.882 -0.414 1
1 229 . 8 1 1 A 26 26 GLY N N 26 114.560 115.119 -0.559 1
1 230 . 8 1 1 A 27 27 VAL H H 27 8.332 8.653 -0.321 1
1 231 . 8 1 1 A 27 27 VAL HA H 27 5.508 5.130 0.378 1
1 239 . 8 1 1 A 27 27 VAL C C 27 175.652 173.689 1.963 1
1 240 . 8 1 1 A 27 27 VAL CA C 27 58.279 59.524 -1.245 1
1 241 . 8 1 1 A 27 27 VAL CB C 27 36.230 35.595 0.635 1
1 244 . 8 1 1 A 27 27 VAL N N 27 110.792 115.857 -5.065 1
1 245 . 8 1 1 A 28 28 LYS H H 28 9.143 9.409 -0.266 1
1 246 . 8 1 1 A 28 28 LYS HA H 28 4.550 5.117 -0.567 1
1 254 . 8 1 1 A 28 28 LYS C C 28 175.150 175.270 -0.120 1
1 255 . 8 1 1 A 28 28 LYS CA C 28 55.396 54.641 0.755 1
1 256 . 8 1 1 A 28 28 LYS CB C 28 35.134 35.533 -0.399 1
1 260 . 8 1 1 A 28 28 LYS N N 28 123.314 125.348 -2.034 1
1 261 . 8 1 1 A 29 29 VAL H H 29 9.190 8.954 0.236 1
1 262 . 8 1 1 A 29 29 VAL HA H 29 3.939 4.027 -0.088 1
1 270 . 8 1 1 A 29 29 VAL C C 29 176.162 175.378 0.784 1
1 271 . 8 1 1 A 29 29 VAL CA C 29 64.332 63.157 1.175 1
1 272 . 8 1 1 A 29 29 VAL CB C 29 31.417 31.250 0.167 1
1 275 . 8 1 1 A 29 29 VAL N N 29 127.176 127.395 -0.219 1
1 276 . 8 1 1 A 30 30 LEU H H 30 8.108 8.661 -0.553 1
1 277 . 8 1 1 A 30 30 LEU HA H 30 4.375 4.249 0.126 1
1 287 . 8 1 1 A 30 30 LEU C C 30 177.477 177.041 0.436 1
1 288 . 8 1 1 A 30 30 LEU CA C 30 55.886 56.572 -0.686 1
1 289 . 8 1 1 A 30 30 LEU CB C 30 42.498 42.297 0.201 1
1 293 . 8 1 1 A 30 30 LEU N N 30 128.053 129.639 -1.586 1
1 294 . 8 1 1 A 31 31 SER H H 31 8.152 7.746 0.406 1
1 295 . 8 1 1 A 31 31 SER HA H 31 4.748 4.839 -0.091 1
1 298 . 8 1 1 A 31 31 SER C C 31 173.427 175.102 -1.675 1
1 299 . 8 1 1 A 31 31 SER CA C 31 57.811 57.367 0.444 1
1 300 . 8 1 1 A 31 31 SER CB C 31 64.517 66.643 -2.126 1
1 301 . 8 1 1 A 31 31 SER N N 31 112.798 113.100 -0.302 1
1 302 . 8 1 1 A 32 32 SER H H 32 8.450 8.773 -0.323 1
1 303 . 8 1 1 A 32 32 SER HA H 32 4.604 4.206 0.398 1
1 306 . 8 1 1 A 32 32 SER C C 32 172.423 175.133 -2.710 1
1 307 . 8 1 1 A 32 32 SER CA C 32 59.414 61.305 -1.891 1
1 308 . 8 1 1 A 32 32 SER CB C 32 63.903 62.779 1.124 1
1 309 . 8 1 1 A 32 32 SER N N 32 112.687 117.928 -5.241 1
1 310 . 8 1 1 A 33 33 SER H H 33 8.355 8.025 0.330 1
1 311 . 8 1 1 A 33 33 SER HA H 33 4.759 4.623 0.136 1
1 314 . 8 1 1 A 33 33 SER C C 33 173.940 172.265 1.675 1
1 315 . 8 1 1 A 33 33 SER CA C 33 57.229 57.675 -0.446 1
1 316 . 8 1 1 A 33 33 SER CB C 33 66.786 64.221 2.565 1
1 317 . 8 1 1 A 33 33 SER N N 33 109.767 115.591 -5.824 1
1 318 . 8 1 1 A 34 34 GLU H H 34 6.978 7.649 -0.671 1
1 319 . 8 1 1 A 34 34 GLU HA H 34 5.487 4.989 0.498 1
1 324 . 8 1 1 A 34 34 GLU C C 34 175.294 174.857 0.437 1
1 325 . 8 1 1 A 34 34 GLU CA C 34 55.130 54.893 0.237 1
1 326 . 8 1 1 A 34 34 GLU CB C 34 35.711 33.348 2.363 1
1 328 . 8 1 1 A 34 34 GLU N N 34 119.009 117.830 1.179 1
1 329 . 8 1 1 A 35 35 ILE H H 35 8.190 8.370 -0.180 1
1 330 . 8 1 1 A 35 35 ILE HA H 35 4.477 4.762 -0.285 1
1 340 . 8 1 1 A 35 35 ILE C C 35 173.681 173.978 -0.297 1
1 341 . 8 1 1 A 35 35 ILE CA C 35 60.203 60.339 -0.136 1
1 342 . 8 1 1 A 35 35 ILE CB C 35 43.791 41.375 2.416 1
1 346 . 8 1 1 A 35 35 ILE N N 35 120.691 123.216 -2.525 1
1 347 . 8 1 1 A 36 36 SER H H 36 9.269 8.796 0.473 1
1 348 . 8 1 1 A 36 36 SER HA H 36 5.300 5.083 0.217 1
1 351 . 8 1 1 A 36 36 SER C C 36 172.945 173.178 -0.233 1
1 352 . 8 1 1 A 36 36 SER CA C 36 56.549 57.056 -0.507 1
1 353 . 8 1 1 A 36 36 SER CB C 36 64.591 63.811 0.780 1
1 354 . 8 1 1 A 36 36 SER N N 36 120.471 122.458 -1.987 1
1 355 . 8 1 1 A 37 37 VAL H H 37 9.000 8.839 0.161 1
1 356 . 8 1 1 A 37 37 VAL HA H 37 4.902 4.411 0.491 1
1 364 . 8 1 1 A 37 37 VAL C C 37 173.530 175.260 -1.730 1
1 365 . 8 1 1 A 37 37 VAL CA C 37 60.261 61.402 -1.141 1
1 366 . 8 1 1 A 37 37 VAL CB C 37 35.001 32.494 2.507 1
1 369 . 8 1 1 A 37 37 VAL N N 37 127.009 127.164 -0.155 1
1 370 . 8 1 1 A 38 38 HIS H H 38 8.779 8.629 0.150 1
1 371 . 8 1 1 A 38 38 HIS HA H 38 5.238 4.887 0.351 1
1 376 . 8 1 1 A 38 38 HIS C C 38 173.545 174.854 -1.309 1
1 377 . 8 1 1 A 38 38 HIS CA C 38 54.991 55.444 -0.453 1
1 378 . 8 1 1 A 38 38 HIS CB C 38 32.564 32.009 0.555 1
1 381 . 8 1 1 A 38 38 HIS N N 38 123.115 125.364 -2.249 1
1 382 . 8 1 1 A 39 39 TRP H H 39 7.682 8.216 -0.534 1
1 383 . 8 1 1 A 39 39 TRP HA H 39 5.044 5.110 -0.066 1
1 392 . 8 1 1 A 39 39 TRP C C 39 173.585 172.900 0.685 1
1 393 . 8 1 1 A 39 39 TRP CA C 39 57.170 55.518 1.652 1
1 394 . 8 1 1 A 39 39 TRP CB C 39 31.554 31.511 0.043 1
1 400 . 8 1 1 A 39 39 TRP N N 39 116.447 118.991 -2.544 1
1 402 . 8 1 1 A 40 40 GLU H H 40 8.522 8.472 0.050 1
1 403 . 8 1 1 A 40 40 GLU HA H 40 4.619 4.666 -0.047 1
1 408 . 8 1 1 A 40 40 GLU C C 40 177.186 177.222 -0.036 1
1 409 . 8 1 1 A 40 40 GLU CA C 40 54.356 55.758 -1.402 1
1 410 . 8 1 1 A 40 40 GLU CB C 40 30.344 31.043 -0.699 1
1 412 . 8 1 1 A 40 40 GLU N N 40 117.208 121.306 -4.098 1
1 413 . 8 1 1 A 41 41 HIS H H 41 8.477 8.741 -0.264 1
1 414 . 8 1 1 A 41 41 HIS HA H 41 4.748 4.812 -0.064 1
1 419 . 8 1 1 A 41 41 HIS C C 41 177.474 176.023 1.451 1
1 420 . 8 1 1 A 41 41 HIS CA C 41 54.779 56.760 -1.981 1
1 421 . 8 1 1 A 41 41 HIS CB C 41 31.140 30.299 0.841 1
1 424 . 8 1 1 A 41 41 HIS N N 41 119.083 123.910 -4.827 1
1 425 . 8 1 1 A 42 42 VAL H H 42 7.680 8.309 -0.629 1
1 426 . 8 1 1 A 42 42 VAL HA H 42 4.428 4.466 -0.038 1
1 434 . 8 1 1 A 42 42 VAL C C 42 175.401 177.077 -1.676 1
1 435 . 8 1 1 A 42 42 VAL CA C 42 60.878 61.244 -0.366 1
1 436 . 8 1 1 A 42 42 VAL CB C 42 32.216 33.901 -1.685 1
1 439 . 8 1 1 A 42 42 VAL N N 42 114.975 122.707 -7.732 1
1 440 . 8 1 1 A 43 43 LEU H H 43 9.107 8.616 0.491 1
1 441 . 8 1 1 A 43 43 LEU HA H 43 4.303 4.280 0.023 1
1 451 . 8 1 1 A 43 43 LEU C C 43 178.603 177.363 1.240 1
1 452 . 8 1 1 A 43 43 LEU CA C 43 55.872 56.682 -0.810 1
1 453 . 8 1 1 A 43 43 LEU CB C 43 41.684 42.527 -0.843 1
1 457 . 8 1 1 A 43 43 LEU N N 43 123.877 118.997 4.880 1
1 458 . 8 1 1 A 44 44 GLU H H 44 7.988 7.632 0.356 1
1 459 . 8 1 1 A 44 44 GLU HA H 44 4.152 4.430 -0.278 1
1 464 . 8 1 1 A 44 44 GLU C C 44 177.236 176.406 0.830 1
1 465 . 8 1 1 A 44 44 GLU CA C 44 57.282 56.162 1.120 1
1 466 . 8 1 1 A 44 44 GLU CB C 44 31.033 30.210 0.823 1
1 468 . 8 1 1 A 44 44 GLU N N 44 119.655 120.895 -1.240 1
1 469 . 8 1 1 A 45 45 LYS H H 45 8.596 8.777 -0.181 1
1 470 . 8 1 1 A 45 45 LYS HA H 45 4.295 4.495 -0.200 1
1 479 . 8 1 1 A 45 45 LYS C C 45 177.258 177.294 -0.036 1
1 480 . 8 1 1 A 45 45 LYS CA C 45 57.170 56.316 0.854 1
1 481 . 8 1 1 A 45 45 LYS CB C 45 32.204 32.528 -0.324 1
1 485 . 8 1 1 A 45 45 LYS N N 45 120.518 121.888 -1.370 1
1 486 . 8 1 1 A 46 46 ILE H H 46 7.212 7.788 -0.576 1
1 487 . 8 1 1 A 46 46 ILE HA H 46 4.371 4.082 0.289 1
1 497 . 8 1 1 A 46 46 ILE C C 46 175.191 176.303 -1.112 1
1 498 . 8 1 1 A 46 46 ILE CA C 46 60.666 63.587 -2.921 1
1 499 . 8 1 1 A 46 46 ILE CB C 46 37.531 37.383 0.148 1
1 503 . 8 1 1 A 46 46 ILE N N 46 111.434 113.591 -2.157 1
1 504 . 8 1 1 A 47 47 VAL H H 47 7.378 7.324 0.054 1
1 505 . 8 1 1 A 47 47 VAL HA H 47 3.658 3.854 -0.196 1
1 513 . 8 1 1 A 47 47 VAL C C 47 175.157 175.201 -0.044 1
1 514 . 8 1 1 A 47 47 VAL CA C 47 63.521 62.199 1.322 1
1 515 . 8 1 1 A 47 47 VAL CB C 47 33.570 32.397 1.173 1
1 518 . 8 1 1 A 47 47 VAL N N 47 122.780 122.375 0.405 1
1 519 . 8 1 1 A 48 48 GLU H H 48 8.733 8.912 -0.179 1
1 520 . 8 1 1 A 48 48 GLU HA H 48 4.615 4.596 0.019 1
1 525 . 8 1 1 A 48 48 GLU C C 48 176.241 176.544 -0.303 1
1 526 . 8 1 1 A 48 48 GLU CA C 48 56.701 57.321 -0.620 1
1 527 . 8 1 1 A 48 48 GLU CB C 48 32.966 32.038 0.928 1
1 529 . 8 1 1 A 48 48 GLU N N 48 124.835 121.842 2.993 1
1 530 . 8 1 1 A 49 49 SER H H 49 8.130 7.529 0.601 1
1 531 . 8 1 1 A 49 49 SER HA H 49 4.726 4.694 0.032 1
1 534 . 8 1 1 A 49 49 SER C C 49 171.371 171.637 -0.266 1
1 535 . 8 1 1 A 49 49 SER CA C 49 57.440 57.770 -0.330 1
1 536 . 8 1 1 A 49 49 SER CB C 49 66.073 66.458 -0.385 1
1 537 . 8 1 1 A 49 49 SER N N 49 114.231 112.190 2.041 1
1 538 . 8 1 1 A 50 50 TYR H H 50 8.681 9.016 -0.335 1
1 539 . 8 1 1 A 50 50 TYR HA H 50 5.057 4.909 0.148 1
1 546 . 8 1 1 A 50 50 TYR C C 50 174.034 174.690 -0.656 1
1 547 . 8 1 1 A 50 50 TYR CA C 50 57.434 56.632 0.802 1
1 548 . 8 1 1 A 50 50 TYR CB C 50 41.437 38.814 2.623 1
1 553 . 8 1 1 A 50 50 TYR N N 50 115.301 121.218 -5.917 1
1 554 . 8 1 1 A 51 51 GLN H H 51 9.200 8.765 0.435 1
1 555 . 8 1 1 A 51 51 GLN HA H 51 5.144 4.547 0.597 1
1 562 . 8 1 1 A 51 51 GLN C C 51 173.878 174.439 -0.561 1
1 563 . 8 1 1 A 51 51 GLN CA C 51 53.669 55.408 -1.739 1
1 564 . 8 1 1 A 51 51 GLN CB C 51 32.783 28.866 3.917 1
1 566 . 8 1 1 A 51 51 GLN N N 51 119.842 124.896 -5.054 1
1 568 . 8 1 1 A 52 52 ILE H H 52 9.441 8.265 1.176 1
1 569 . 8 1 1 A 52 52 ILE HA H 52 4.803 4.890 -0.087 1
1 579 . 8 1 1 A 52 52 ILE C C 52 174.953 175.040 -0.087 1
1 580 . 8 1 1 A 52 52 ILE CA C 52 61.054 61.053 0.001 1
1 581 . 8 1 1 A 52 52 ILE CB C 52 39.108 36.862 2.246 1
1 585 . 8 1 1 A 52 52 ILE N N 52 128.547 127.924 0.623 1
1 586 . 8 1 1 A 53 53 ARG H H 53 9.169 8.502 0.667 1
1 587 . 8 1 1 A 53 53 ARG HA H 53 5.628 4.872 0.756 1
1 594 . 8 1 1 A 53 53 ARG C C 53 174.869 175.734 -0.865 1
1 595 . 8 1 1 A 53 53 ARG CA C 53 54.479 55.719 -1.240 1
1 596 . 8 1 1 A 53 53 ARG CB C 53 33.942 31.296 2.646 1
1 599 . 8 1 1 A 53 53 ARG N N 53 127.779 129.289 -1.510 1
1 600 . 8 1 1 A 54 54 TYR H H 54 8.671 9.164 -0.493 1
1 601 . 8 1 1 A 54 54 TYR HA H 54 6.310 5.990 0.320 1
1 608 . 8 1 1 A 54 54 TYR C C 54 173.965 173.919 0.046 1
1 609 . 8 1 1 A 54 54 TYR CA C 54 55.291 56.160 -0.869 1
1 610 . 8 1 1 A 54 54 TYR CB C 54 41.930 42.297 -0.367 1
1 615 . 8 1 1 A 54 54 TYR N N 54 117.929 121.834 -3.905 1
1 616 . 8 1 1 A 55 55 TRP H H 55 8.928 8.757 0.171 1
1 617 . 8 1 1 A 55 55 TRP HA H 55 5.054 5.228 -0.174 1
1 626 . 8 1 1 A 55 55 TRP C C 55 172.613 173.275 -0.662 1
1 627 . 8 1 1 A 55 55 TRP CA C 55 56.577 55.651 0.926 1
1 628 . 8 1 1 A 55 55 TRP CB C 55 32.118 31.651 0.467 1
1 634 . 8 1 1 A 55 55 TRP N N 55 121.459 119.097 2.362 1
1 636 . 8 1 1 A 56 56 ALA H H 56 8.870 7.998 0.872 1
1 637 . 8 1 1 A 56 56 ALA HA H 56 4.053 3.633 0.420 1
1 641 . 8 1 1 A 56 56 ALA C C 56 179.868 178.034 1.834 1
1 642 . 8 1 1 A 56 56 ALA CA C 56 50.478 51.690 -1.212 1
1 643 . 8 1 1 A 56 56 ALA CB C 56 19.108 18.785 0.323 1
1 644 . 8 1 1 A 56 56 ALA N N 56 124.214 123.454 0.760 1
1 645 . 8 1 1 A 57 57 ALA H H 57 8.147 8.461 -0.314 1
1 646 . 8 1 1 A 57 57 ALA HA H 57 3.913 4.060 -0.147 1
1 650 . 8 1 1 A 57 57 ALA C C 57 178.479 179.930 -1.451 1
1 651 . 8 1 1 A 57 57 ALA CA C 57 54.832 55.508 -0.676 1
1 652 . 8 1 1 A 57 57 ALA CB C 57 19.317 18.237 1.080 1
1 653 . 8 1 1 A 57 57 ALA N N 57 120.999 125.573 -4.574 1
1 654 . 8 1 1 A 58 58 HIS H H 58 7.274 7.703 -0.429 1
1 655 . 8 1 1 A 58 58 HIS HA H 58 4.605 4.380 0.225 1
1 660 . 8 1 1 A 58 58 HIS C C 58 175.349 175.489 -0.140 1
1 661 . 8 1 1 A 58 58 HIS CA C 58 56.066 58.903 -2.837 1
1 662 . 8 1 1 A 58 58 HIS CB C 58 29.780 28.858 0.922 1
1 665 . 8 1 1 A 58 58 HIS N N 58 109.961 114.373 -4.412 1
1 666 . 8 1 1 A 59 59 ASP H H 59 7.945 7.090 0.855 1
1 667 . 8 1 1 A 59 59 ASP HA H 59 4.869 4.606 0.263 1
1 670 . 8 1 1 A 59 59 ASP C C 59 175.895 175.754 0.141 1
1 671 . 8 1 1 A 59 59 ASP CA C 59 53.898 54.880 -0.982 1
1 672 . 8 1 1 A 59 59 ASP CB C 59 42.385 41.324 1.061 1
1 673 . 8 1 1 A 59 59 ASP N N 59 123.825 120.838 2.987 1
1 674 . 8 1 1 A 60 60 LYS H H 60 8.147 8.780 -0.633 1
1 675 . 8 1 1 A 60 60 LYS HA H 60 4.197 4.500 -0.303 1
1 682 . 8 1 1 A 60 60 LYS C C 60 177.212 177.476 -0.264 1
1 683 . 8 1 1 A 60 60 LYS CA C 60 56.121 54.762 1.359 1
1 684 . 8 1 1 A 60 60 LYS CB C 60 32.951 34.157 -1.206 1
1 688 . 8 1 1 A 60 60 LYS N N 60 117.803 121.767 -3.964 1
1 689 . 8 1 1 A 61 61 GLU H H 61 8.381 8.738 -0.357 1
1 690 . 8 1 1 A 61 61 GLU HA H 61 2.603 3.261 -0.658 1
1 695 . 8 1 1 A 61 61 GLU C C 61 178.058 178.567 -0.509 1
1 696 . 8 1 1 A 61 61 GLU CA C 61 58.622 58.686 -0.064 1
1 697 . 8 1 1 A 61 61 GLU CB C 61 28.709 28.753 -0.044 1
1 699 . 8 1 1 A 61 61 GLU N N 61 122.310 121.077 1.233 1
1 700 . 8 1 1 A 62 62 GLU H H 62 8.470 8.548 -0.078 1
1 701 . 8 1 1 A 62 62 GLU HA H 62 3.919 3.952 -0.033 1
1 706 . 8 1 1 A 62 62 GLU C C 62 176.293 177.571 -1.278 1
1 707 . 8 1 1 A 62 62 GLU CA C 62 57.899 59.183 -1.284 1
1 708 . 8 1 1 A 62 62 GLU CB C 62 28.796 29.035 -0.239 1
1 710 . 8 1 1 A 62 62 GLU N N 62 117.600 118.647 -1.047 1
1 711 . 8 1 1 A 63 63 ALA H H 63 7.760 7.520 0.240 1
1 712 . 8 1 1 A 63 63 ALA HA H 63 4.443 4.306 0.137 1
1 716 . 8 1 1 A 63 63 ALA C C 63 176.867 177.065 -0.198 1
1 717 . 8 1 1 A 63 63 ALA CA C 63 51.095 51.909 -0.814 1
1 718 . 8 1 1 A 63 63 ALA CB C 63 18.845 18.695 0.150 1
1 719 . 8 1 1 A 63 63 ALA N N 63 123.067 119.890 3.177 1
1 720 . 8 1 1 A 64 64 ALA H H 64 7.389 6.962 0.427 1
1 721 . 8 1 1 A 64 64 ALA HA H 64 4.175 4.325 -0.150 1
1 725 . 8 1 1 A 64 64 ALA C C 64 177.784 177.120 0.664 1
1 726 . 8 1 1 A 64 64 ALA CA C 64 53.099 51.219 1.880 1
1 727 . 8 1 1 A 64 64 ALA CB C 64 19.784 19.703 0.081 1
1 728 . 8 1 1 A 64 64 ALA N N 64 121.409 121.387 0.022 1
1 729 . 8 1 1 A 65 65 ASN H H 65 8.152 8.029 0.123 1
1 730 . 8 1 1 A 65 65 ASN HA H 65 4.714 5.199 -0.485 1
1 735 . 8 1 1 A 65 65 ASN C C 65 173.533 174.813 -1.280 1
1 736 . 8 1 1 A 65 65 ASN CA C 65 52.523 52.188 0.335 1
1 737 . 8 1 1 A 65 65 ASN CB C 65 40.739 40.639 0.100 1
1 738 . 8 1 1 A 65 65 ASN N N 65 119.620 120.848 -1.228 1
1 740 . 8 1 1 A 66 66 ARG H H 66 8.366 9.125 -0.759 1
1 741 . 8 1 1 A 66 66 ARG HA H 66 5.760 5.804 -0.044 1
1 748 . 8 1 1 A 66 66 ARG C C 66 175.946 174.747 1.199 1
1 749 . 8 1 1 A 66 66 ARG CA C 66 54.902 53.702 1.200 1
1 750 . 8 1 1 A 66 66 ARG CB C 66 34.116 34.486 -0.370 1
1 753 . 8 1 1 A 66 66 ARG N N 66 116.911 119.865 -2.954 1
1 754 . 8 1 1 A 67 67 VAL H H 67 9.057 8.506 0.551 1
1 755 . 8 1 1 A 67 67 VAL HA H 67 4.520 4.644 -0.124 1
1 763 . 8 1 1 A 67 67 VAL C C 67 173.731 174.623 -0.892 1
1 764 . 8 1 1 A 67 67 VAL CA C 67 60.845 61.777 -0.932 1
1 765 . 8 1 1 A 67 67 VAL CB C 67 35.917 34.242 1.675 1
1 768 . 8 1 1 A 67 67 VAL N N 67 122.047 120.287 1.760 1
1 769 . 8 1 1 A 68 68 GLN H H 68 8.741 8.989 -0.248 1
1 770 . 8 1 1 A 68 68 GLN HA H 68 5.543 4.644 0.899 1
1 777 . 8 1 1 A 68 68 GLN C C 68 175.452 175.640 -0.188 1
1 778 . 8 1 1 A 68 68 GLN CA C 68 54.462 55.461 -0.999 1
1 779 . 8 1 1 A 68 68 GLN CB C 68 32.087 29.316 2.771 1
1 781 . 8 1 1 A 68 68 GLN N N 68 124.250 128.019 -3.769 1
1 783 . 8 1 1 A 69 69 VAL H H 69 8.912 8.719 0.193 1
1 784 . 8 1 1 A 69 69 VAL HA H 69 5.012 4.861 0.151 1
1 792 . 8 1 1 A 69 69 VAL C C 69 175.870 175.558 0.312 1
1 793 . 8 1 1 A 69 69 VAL CA C 69 59.045 59.997 -0.952 1
1 794 . 8 1 1 A 69 69 VAL CB C 69 35.106 34.350 0.756 1
1 797 . 8 1 1 A 69 69 VAL N N 69 117.045 122.655 -5.610 1
1 798 . 8 1 1 A 70 70 THR H H 70 8.491 8.374 0.117 1
1 799 . 8 1 1 A 70 70 THR HA H 70 4.585 4.379 0.206 1
1 804 . 8 1 1 A 70 70 THR C C 70 175.015 176.140 -1.125 1
1 805 . 8 1 1 A 70 70 THR CA C 70 62.917 62.468 0.449 1
1 806 . 8 1 1 A 70 70 THR CB C 70 70.767 69.932 0.835 1
1 808 . 8 1 1 A 70 70 THR N N 70 111.495 114.453 -2.958 1
1 809 . 8 1 1 A 71 71 SER H H 71 7.522 9.220 -1.698 1
1 810 . 8 1 1 A 71 71 SER HA H 71 4.148 4.404 -0.256 1
1 813 . 8 1 1 A 71 71 SER C C 71 174.340 176.559 -2.219 1
1 814 . 8 1 1 A 71 71 SER CA C 71 59.749 61.536 -1.787 1
1 815 . 8 1 1 A 71 71 SER CB C 71 63.060 62.527 0.533 1
1 816 . 8 1 1 A 71 71 SER N N 71 111.553 118.833 -7.280 1
1 817 . 8 1 1 A 72 72 GLN H H 72 7.718 8.106 -0.388 1
1 818 . 8 1 1 A 72 72 GLN HA H 72 4.428 4.275 0.153 1
1 823 . 8 1 1 A 72 72 GLN C C 72 176.456 177.130 -0.674 1
1 824 . 8 1 1 A 72 72 GLN CA C 72 56.630 58.553 -1.923 1
1 825 . 8 1 1 A 72 72 GLN CB C 72 29.373 28.732 0.641 1
1 827 . 8 1 1 A 72 72 GLN N N 72 117.502 119.632 -2.130 1
1 829 . 8 1 1 A 73 73 GLU H H 73 7.650 7.864 -0.214 1
1 830 . 8 1 1 A 73 73 GLU HA H 73 4.408 4.478 -0.070 1
1 835 . 8 1 1 A 73 73 GLU C C 73 176.484 176.332 0.152 1
1 836 . 8 1 1 A 73 73 GLU CA C 73 56.472 56.393 0.079 1
1 837 . 8 1 1 A 73 73 GLU CB C 73 31.962 30.494 1.468 1
1 839 . 8 1 1 A 73 73 GLU N N 73 119.175 119.293 -0.118 1
1 840 . 8 1 1 A 74 74 TYR H H 74 8.615 9.003 -0.388 1
1 841 . 8 1 1 A 74 74 TYR HA H 74 3.427 4.281 -0.854 1
1 848 . 8 1 1 A 74 74 TYR C C 74 171.853 174.947 -3.094 1
1 849 . 8 1 1 A 74 74 TYR CA C 74 56.565 59.750 -3.185 1
1 850 . 8 1 1 A 74 74 TYR CB C 74 39.410 37.913 1.497 1
1 855 . 8 1 1 A 74 74 TYR N N 74 118.997 125.556 -6.559 1
1 856 . 8 1 1 A 75 75 SER H H 75 6.801 7.438 -0.637 1
1 857 . 8 1 1 A 75 75 SER HA H 75 5.001 3.873 1.128 1
1 860 . 8 1 1 A 75 75 SER C C 75 172.976 171.688 1.288 1
1 861 . 8 1 1 A 75 75 SER CA C 75 56.154 57.208 -1.054 1
1 862 . 8 1 1 A 75 75 SER CB C 75 66.541 67.941 -1.400 1
1 863 . 8 1 1 A 75 75 SER N N 75 109.803 112.978 -3.175 1
1 864 . 8 1 1 A 76 76 ALA H H 76 8.897 8.831 0.066 1
1 865 . 8 1 1 A 76 76 ALA HA H 76 4.604 5.364 -0.760 1
1 869 . 8 1 1 A 76 76 ALA C C 76 174.777 175.179 -0.402 1
1 870 . 8 1 1 A 76 76 ALA CA C 76 51.359 50.625 0.734 1
1 871 . 8 1 1 A 76 76 ALA CB C 76 23.140 24.400 -1.260 1
1 872 . 8 1 1 A 76 76 ALA N N 76 120.416 123.596 -3.180 1
1 873 . 8 1 1 A 77 77 ARG H H 77 8.529 8.737 -0.208 1
1 874 . 8 1 1 A 77 77 ARG HA H 77 4.681 5.082 -0.401 1
1 881 . 8 1 1 A 77 77 ARG C C 77 174.533 174.626 -0.093 1
1 882 . 8 1 1 A 77 77 ARG CA C 77 54.973 54.540 0.433 1
1 883 . 8 1 1 A 77 77 ARG CB C 77 31.839 33.624 -1.785 1
1 886 . 8 1 1 A 77 77 ARG N N 77 121.172 120.478 0.694 1
1 887 . 8 1 1 A 78 78 LEU H H 78 9.089 9.095 -0.006 1
1 888 . 8 1 1 A 78 78 LEU HA H 78 4.396 5.025 -0.629 1
1 898 . 8 1 1 A 78 78 LEU C C 78 175.107 175.562 -0.455 1
1 899 . 8 1 1 A 78 78 LEU CA C 78 53.333 52.880 0.453 1
1 900 . 8 1 1 A 78 78 LEU CB C 78 41.272 44.909 -3.637 1
1 904 . 8 1 1 A 78 78 LEU N N 78 126.698 128.658 -1.960 1
1 905 . 8 1 1 A 79 79 GLU H H 79 8.239 8.634 -0.395 1
1 906 . 8 1 1 A 79 79 GLU HA H 79 5.034 5.048 -0.014 1
1 911 . 8 1 1 A 79 79 GLU C C 79 174.792 175.382 -0.590 1
1 912 . 8 1 1 A 79 79 GLU CA C 79 54.056 54.518 -0.462 1
1 913 . 8 1 1 A 79 79 GLU CB C 79 33.692 33.117 0.575 1
1 915 . 8 1 1 A 79 79 GLU N N 79 119.147 120.391 -1.244 1
1 916 . 8 1 1 A 80 80 ASN H H 80 9.068 8.697 0.371 1
1 917 . 8 1 1 A 80 80 ASN HA H 80 4.303 4.253 0.050 1
1 922 . 8 1 1 A 80 80 ASN C C 80 174.823 174.487 0.336 1
1 923 . 8 1 1 A 80 80 ASN CA C 80 54.462 54.120 0.342 1
1 924 . 8 1 1 A 80 80 ASN CB C 80 37.359 37.240 0.119 1
1 925 . 8 1 1 A 80 80 ASN N N 80 113.324 116.168 -2.844 1
1 927 . 8 1 1 A 81 81 LEU H H 81 8.671 7.587 1.084 1
1 928 . 8 1 1 A 81 81 LEU HA H 81 4.252 4.721 -0.469 1
1 938 . 8 1 1 A 81 81 LEU C C 81 175.804 175.817 -0.013 1
1 939 . 8 1 1 A 81 81 LEU CA C 81 53.841 53.196 0.645 1
1 940 . 8 1 1 A 81 81 LEU CB C 81 40.891 43.257 -2.366 1
1 944 . 8 1 1 A 81 81 LEU N N 81 117.886 118.837 -0.951 1
1 945 . 8 1 1 A 82 82 LEU H H 82 8.448 8.723 -0.275 1
1 946 . 8 1 1 A 82 82 LEU HA H 82 4.600 4.839 -0.239 1
1 956 . 8 1 1 A 82 82 LEU C C 82 175.149 174.936 0.213 1
1 957 . 8 1 1 A 82 82 LEU CA C 82 52.629 52.410 0.219 1
1 958 . 8 1 1 A 82 82 LEU CB C 82 42.449 41.592 0.857 1
1 962 . 8 1 1 A 82 82 LEU N N 82 121.118 122.489 -1.371 1
1 963 . 8 1 1 A 83 83 PRO HA H 83 5.237 4.390 0.847 1
1 970 . 8 1 1 A 83 83 PRO C C 83 178.145 177.388 0.757 1
1 971 . 8 1 1 A 83 83 PRO CA C 83 62.472 63.384 -0.912 1
1 972 . 8 1 1 A 83 83 PRO CB C 83 33.232 32.196 1.036 1
1 975 . 8 1 1 A 84 84 ASP H H 84 7.943 9.426 -1.483 1
1 976 . 8 1 1 A 84 84 ASP HA H 84 4.208 4.448 -0.240 1
1 979 . 8 1 1 A 84 84 ASP C C 84 174.476 174.733 -0.257 1
1 980 . 8 1 1 A 84 84 ASP CA C 84 54.250 55.050 -0.800 1
1 981 . 8 1 1 A 84 84 ASP CB C 84 41.568 39.610 1.958 1
1 982 . 8 1 1 A 84 84 ASP N N 84 126.496 121.557 4.939 1
1 983 . 8 1 1 A 85 85 THR H H 85 8.261 8.108 0.153 1
1 984 . 8 1 1 A 85 85 THR HA H 85 4.381 4.645 -0.264 1
1 989 . 8 1 1 A 85 85 THR C C 85 170.639 172.982 -2.343 1
1 990 . 8 1 1 A 85 85 THR CA C 85 62.951 61.137 1.814 1
1 991 . 8 1 1 A 85 85 THR CB C 85 72.217 71.770 0.447 1
1 993 . 8 1 1 A 85 85 THR N N 85 114.015 112.742 1.273 1
1 994 . 8 1 1 A 86 86 GLN H H 86 8.221 8.492 -0.271 1
1 995 . 8 1 1 A 86 86 GLN HA H 86 3.664 4.018 -0.354 1
1 1002 . 8 1 1 A 86 86 GLN C C 86 172.890 173.902 -1.012 1
1 1003 . 8 1 1 A 86 86 GLN CA C 86 54.585 55.048 -0.463 1
1 1004 . 8 1 1 A 86 86 GLN CB C 86 28.836 28.615 0.221 1
1 1006 . 8 1 1 A 86 86 GLN N N 86 127.039 126.673 0.366 1
1 1008 . 8 1 1 A 87 87 TYR H H 87 8.976 8.538 0.438 1
1 1009 . 8 1 1 A 87 87 TYR HA H 87 4.583 5.147 -0.564 1
1 1016 . 8 1 1 A 87 87 TYR C C 87 173.534 174.624 -1.090 1
1 1017 . 8 1 1 A 87 87 TYR CA C 87 57.599 55.907 1.692 1
1 1018 . 8 1 1 A 87 87 TYR CB C 87 42.344 41.193 1.151 1
1 1023 . 8 1 1 A 87 87 TYR N N 87 126.060 125.780 0.280 1
1 1024 . 8 1 1 A 88 88 PHE H H 88 8.388 8.226 0.162 1
1 1025 . 8 1 1 A 88 88 PHE HA H 88 4.902 4.650 0.252 1
1 1033 . 8 1 1 A 88 88 PHE C C 88 175.238 174.704 0.534 1
1 1034 . 8 1 1 A 88 88 PHE CA C 88 55.872 56.919 -1.047 1
1 1035 . 8 1 1 A 88 88 PHE CB C 88 40.284 37.824 2.460 1
1 1041 . 8 1 1 A 88 88 PHE N N 88 118.991 122.869 -3.878 1
1 1042 . 8 1 1 A 89 89 ILE H H 89 8.450 8.994 -0.544 1
1 1043 . 8 1 1 A 89 89 ILE HA H 89 4.913 5.306 -0.393 1
1 1053 . 8 1 1 A 89 89 ILE C C 89 174.770 175.169 -0.399 1
1 1054 . 8 1 1 A 89 89 ILE CA C 89 60.472 59.917 0.555 1
1 1055 . 8 1 1 A 89 89 ILE CB C 89 43.167 40.383 2.784 1
1 1059 . 8 1 1 A 89 89 ILE N N 89 118.943 124.811 -5.868 1
1 1060 . 8 1 1 A 90 90 GLU H H 90 9.071 8.748 0.323 1
1 1061 . 8 1 1 A 90 90 GLU HA H 90 4.558 5.287 -0.729 1
1 1066 . 8 1 1 A 90 90 GLU C C 90 173.981 173.866 0.115 1
1 1067 . 8 1 1 A 90 90 GLU CA C 90 54.831 55.194 -0.363 1
1 1068 . 8 1 1 A 90 90 GLU CB C 90 35.052 33.892 1.160 1
1 1070 . 8 1 1 A 90 90 GLU N N 90 124.044 122.945 1.099 1
1 1071 . 8 1 1 A 91 91 VAL H H 91 8.564 8.409 0.155 1
1 1072 . 8 1 1 A 91 91 VAL HA H 91 4.968 4.576 0.392 1
1 1080 . 8 1 1 A 91 91 VAL C C 91 174.488 174.733 -0.245 1
1 1081 . 8 1 1 A 91 91 VAL CA C 91 60.525 60.777 -0.252 1
1 1082 . 8 1 1 A 91 91 VAL CB C 91 34.308 33.628 0.680 1
1 1085 . 8 1 1 A 91 91 VAL N N 91 121.165 122.953 -1.788 1
1 1086 . 8 1 1 A 92 92 GLY H H 92 8.941 8.843 0.098 1
1 1087 . 8 1 1 A 92 92 GLY HA2 H 92 4.571 4.242 0.329 1
1 1088 . 8 1 1 A 92 92 GLY HA3 H 92 3.581 4.246 -0.665 1
1 1089 . 8 1 1 A 92 92 GLY C C 92 171.577 172.535 -0.958 1
1 1090 . 8 1 1 A 92 92 GLY CA C 92 43.640 44.612 -0.972 1
1 1091 . 8 1 1 A 92 92 GLY N N 92 112.251 114.585 -2.334 1
1 1092 . 8 1 1 A 93 93 ALA H H 93 10.001 8.574 1.427 1
1 1093 . 8 1 1 A 93 93 ALA HA H 93 4.560 3.956 0.604 1
1 1097 . 8 1 1 A 93 93 ALA C C 93 176.786 177.111 -0.325 1
1 1098 . 8 1 1 A 93 93 ALA CA C 93 51.060 52.476 -1.416 1
1 1099 . 8 1 1 A 93 93 ALA CB C 93 21.088 18.915 2.173 1
1 1100 . 8 1 1 A 93 93 ALA N N 93 126.200 125.597 0.603 1
1 1101 . 8 1 1 A 94 94 CYS H H 94 8.739 8.184 0.555 1
1 1102 . 8 1 1 A 94 94 CYS HA H 94 5.214 4.778 0.436 1
1 1105 . 8 1 1 A 94 94 CYS C C 94 174.087 173.169 0.918 1
1 1106 . 8 1 1 A 94 94 CYS CA C 94 57.088 57.873 -0.785 1
1 1107 . 8 1 1 A 94 94 CYS CB C 94 31.345 30.751 0.594 1
1 1108 . 8 1 1 A 94 94 CYS N N 94 118.064 122.078 -4.014 1
1 1109 . 8 1 1 A 95 95 ASN H H 95 8.968 7.775 1.193 1
1 1110 . 8 1 1 A 95 95 ASN HA H 95 4.593 5.034 -0.441 1
1 1115 . 8 1 1 A 95 95 ASN C C 95 176.009 175.957 0.052 1
1 1116 . 8 1 1 A 95 95 ASN CA C 95 52.981 50.647 2.334 1
1 1117 . 8 1 1 A 95 95 ASN CB C 95 39.336 40.013 -0.677 1
1 1118 . 8 1 1 A 95 95 ASN N N 95 121.604 125.176 -3.572 1
1 1120 . 8 1 1 A 96 96 SER H H 96 8.483 8.925 -0.442 1
1 1121 . 8 1 1 A 96 96 SER HA H 96 4.085 4.064 0.021 1
1 1124 . 8 1 1 A 96 96 SER C C 96 174.700 176.674 -1.974 1
1 1125 . 8 1 1 A 96 96 SER CA C 96 61.600 61.522 0.078 1
1 1126 . 8 1 1 A 96 96 SER CB C 96 62.794 62.675 0.119 1
1 1127 . 8 1 1 A 96 96 SER N N 96 113.664 114.785 -1.121 1
1 1128 . 8 1 1 A 97 97 ALA H H 97 8.187 7.694 0.493 1
1 1129 . 8 1 1 A 97 97 ALA HA H 97 4.357 4.030 0.327 1
1 1133 . 8 1 1 A 97 97 ALA C C 97 177.600 177.423 0.177 1
1 1134 . 8 1 1 A 97 97 ALA CA C 97 52.681 55.125 -2.444 1
1 1135 . 8 1 1 A 97 97 ALA CB C 97 19.192 18.826 0.366 1
1 1136 . 8 1 1 A 97 97 ALA N N 97 123.374 121.927 1.447 1
1 1137 . 8 1 1 A 98 98 GLY H H 98 7.800 7.798 0.002 1
1 1138 . 8 1 1 A 98 98 GLY HA2 H 98 4.444 4.139 0.305 1
1 1139 . 8 1 1 A 98 98 GLY HA3 H 98 3.840 4.141 -0.301 1
1 1140 . 8 1 1 A 98 98 GLY C C 98 171.071 171.801 -0.730 1
1 1141 . 8 1 1 A 98 98 GLY CA C 98 44.809 43.979 0.830 1
1 1142 . 8 1 1 A 98 98 GLY N N 98 106.029 104.605 1.424 1
1 1143 . 8 1 1 A 99 99 CYS H H 99 8.399 8.749 -0.350 1
1 1144 . 8 1 1 A 99 99 CYS HA H 99 4.891 5.134 -0.243 1
1 1147 . 8 1 1 A 99 99 CYS C C 99 175.557 174.963 0.594 1
1 1148 . 8 1 1 A 99 99 CYS CA C 99 57.670 57.304 0.366 1
1 1149 . 8 1 1 A 99 99 CYS CB C 99 29.469 29.574 -0.105 1
1 1150 . 8 1 1 A 99 99 CYS N N 99 117.855 119.287 -1.432 1
1 1151 . 8 1 1 A 100 100 GLY H H 100 8.930 8.911 0.019 1
1 1152 . 8 1 1 A 100 100 GLY HA2 H 100 4.282 3.993 0.289 1
1 1153 . 8 1 1 A 100 100 GLY HA3 H 100 3.764 4.005 -0.241 1
1 1154 . 8 1 1 A 100 100 GLY C C 100 170.974 173.039 -2.065 1
1 1155 . 8 1 1 A 100 100 GLY CA C 100 45.578 44.577 1.001 1
1 1156 . 8 1 1 A 100 100 GLY N N 100 113.025 114.329 -1.304 1
1 1157 . 8 1 1 A 101 101 PRO HA H 101 4.616 4.557 0.059 1
1 1164 . 8 1 1 A 101 101 PRO CA C 101 60.598 62.157 -1.559 1
1 1165 . 8 1 1 A 101 101 PRO CB C 101 30.874 31.732 -0.858 1
1 1168 . 8 1 1 A 102 102 PRO HA H 102 4.659 4.514 0.145 1
1 1175 . 8 1 1 A 102 102 PRO C C 102 178.078 176.563 1.515 1
1 1176 . 8 1 1 A 102 102 PRO CA C 102 62.111 62.621 -0.510 1
1 1177 . 8 1 1 A 102 102 PRO CB C 102 32.383 31.831 0.552 1
1 1180 . 8 1 1 A 103 103 SER H H 103 8.732 8.359 0.373 1
1 1181 . 8 1 1 A 103 103 SER HA H 103 4.222 4.639 -0.417 1
1 1184 . 8 1 1 A 103 103 SER C C 103 173.155 173.930 -0.775 1
1 1185 . 8 1 1 A 103 103 SER CA C 103 58.321 57.210 1.111 1
1 1186 . 8 1 1 A 103 103 SER CB C 103 65.815 65.749 0.066 1
1 1187 . 8 1 1 A 103 103 SER N N 103 113.387 114.911 -1.524 1
1 1188 . 8 1 1 A 104 104 ASP H H 104 8.248 8.668 -0.420 1
1 1189 . 8 1 1 A 104 104 ASP HA H 104 4.472 4.580 -0.108 1
1 1192 . 8 1 1 A 104 104 ASP C C 104 176.703 176.507 0.196 1
1 1193 . 8 1 1 A 104 104 ASP CA C 104 55.573 54.907 0.666 1
1 1194 . 8 1 1 A 104 104 ASP CB C 104 40.583 40.483 0.100 1
1 1195 . 8 1 1 A 104 104 ASP N N 104 119.021 120.765 -1.744 1
1 1196 . 8 1 1 A 105 105 MET H H 105 8.460 8.552 -0.092 1
1 1197 . 8 1 1 A 105 105 MET HA H 105 4.542 4.462 0.080 1
1 1205 . 8 1 1 A 105 105 MET C C 105 175.687 175.020 0.667 1
1 1206 . 8 1 1 A 105 105 MET CA C 105 56.348 55.859 0.489 1
1 1207 . 8 1 1 A 105 105 MET CB C 105 33.610 32.997 0.613 1
1 1210 . 8 1 1 A 105 105 MET N N 105 124.915 123.623 1.292 1
1 1211 . 8 1 1 A 106 106 ILE H H 106 8.914 8.684 0.230 1
1 1212 . 8 1 1 A 106 106 ILE HA H 106 4.571 4.847 -0.276 1
1 1222 . 8 1 1 A 106 106 ILE C C 106 173.498 175.892 -2.394 1
1 1223 . 8 1 1 A 106 106 ILE CA C 106 59.185 60.441 -1.256 1
1 1224 . 8 1 1 A 106 106 ILE CB C 106 40.786 40.181 0.605 1
1 1228 . 8 1 1 A 106 106 ILE N N 106 126.141 127.419 -1.278 1
1 1229 . 8 1 1 A 107 107 GLU H H 107 7.999 9.085 -1.086 1
1 1230 . 8 1 1 A 107 107 GLU HA H 107 5.373 5.110 0.263 1
1 1235 . 8 1 1 A 107 107 GLU C C 107 175.263 175.296 -0.033 1
1 1236 . 8 1 1 A 107 107 GLU CA C 107 53.343 54.929 -1.586 1
1 1237 . 8 1 1 A 107 107 GLU CB C 107 32.951 32.660 0.291 1
1 1239 . 8 1 1 A 107 107 GLU N N 107 121.346 124.356 -3.010 1
1 1240 . 8 1 1 A 108 108 ALA H H 108 8.685 8.818 -0.133 1
1 1241 . 8 1 1 A 108 108 ALA HA H 108 4.549 5.547 -0.998 1
1 1245 . 8 1 1 A 108 108 ALA C C 108 174.431 175.742 -1.311 1
1 1246 . 8 1 1 A 108 108 ALA CA C 108 51.113 50.106 1.007 1
1 1247 . 8 1 1 A 108 108 ALA CB C 108 23.724 23.180 0.544 1
1 1248 . 8 1 1 A 108 108 ALA N N 108 123.009 122.934 0.075 1
1 1249 . 8 1 1 A 109 109 PHE H H 109 8.519 9.081 -0.562 1
1 1250 . 8 1 1 A 109 109 PHE HA H 109 5.481 5.047 0.434 1
1 1258 . 8 1 1 A 109 109 PHE C C 109 177.604 175.802 1.802 1
1 1259 . 8 1 1 A 109 109 PHE CA C 109 55.854 56.547 -0.693 1
1 1260 . 8 1 1 A 109 109 PHE CB C 109 41.019 40.342 0.677 1
1 1266 . 8 1 1 A 109 109 PHE N N 109 119.997 118.161 1.836 1
1 1267 . 8 1 1 A 110 110 THR H H 110 8.839 8.421 0.418 1
1 1268 . 8 1 1 A 110 110 THR HA H 110 4.103 4.540 -0.437 1
1 1273 . 8 1 1 A 110 110 THR C C 110 175.354 174.325 1.029 1
1 1274 . 8 1 1 A 110 110 THR CA C 110 61.763 61.619 0.144 1
1 1275 . 8 1 1 A 110 110 THR CB C 110 69.356 70.883 -1.527 1
1 1277 . 8 1 1 A 110 110 THR N N 110 112.067 116.909 -4.842 1
1 1278 . 8 1 1 A 111 111 LYS H H 111 6.542 8.386 -1.844 1
1 1279 . 8 1 1 A 111 111 LYS HA H 111 4.208 4.619 -0.411 1
1 1288 . 8 1 1 A 111 111 LYS C C 111 176.693 176.824 -0.131 1
1 1289 . 8 1 1 A 111 111 LYS CA C 111 56.383 54.979 1.404 1
1 1290 . 8 1 1 A 111 111 LYS CB C 111 33.447 33.678 -0.231 1
1 1294 . 8 1 1 A 111 111 LYS N N 111 116.497 120.916 -4.419 1
1 1295 . 8 1 1 A 112 112 LYS H H 112 8.230 8.508 -0.278 1
1 1296 . 8 1 1 A 112 112 LYS HA H 112 4.143 4.459 -0.316 1
1 1304 . 8 1 1 A 112 112 LYS C C 112 176.823 176.466 0.357 1
1 1305 . 8 1 1 A 112 112 LYS CA C 112 57.229 56.084 1.145 1
1 1306 . 8 1 1 A 112 112 LYS CB C 112 33.528 33.555 -0.027 1
1 1310 . 8 1 1 A 112 112 LYS N N 112 118.783 121.428 -2.645 1
1 1311 . 8 1 1 A 113 113 ALA H H 113 8.762 8.367 0.395 1
1 1312 . 8 1 1 A 113 113 ALA HA H 113 4.338 4.297 0.041 1
1 1316 . 8 1 1 A 113 113 ALA C C 113 177.688 178.061 -0.373 1
1 1317 . 8 1 1 A 113 113 ALA CA C 113 52.417 53.051 -0.634 1
1 1318 . 8 1 1 A 113 113 ALA CB C 113 19.272 19.048 0.224 1
1 1319 . 8 1 1 A 113 113 ALA N N 113 124.432 126.945 -2.513 1
1 1320 . 8 1 1 A 114 114 SER H H 114 8.386 8.514 -0.128 1
1 1321 . 8 1 1 A 114 114 SER HA H 114 4.487 5.093 -0.606 1
1 1324 . 8 1 1 A 114 114 SER C C 114 174.474 173.861 0.613 1
1 1325 . 8 1 1 A 114 114 SER CA C 114 58.063 56.101 1.962 1
1 1326 . 8 1 1 A 114 114 SER CB C 114 64.012 65.819 -1.807 1
1 1327 . 8 1 1 A 114 114 SER N N 114 115.798 114.143 1.655 1
1 1328 . 8 1 1 A 115 115 GLY H H 115 8.278 8.560 -0.282 1
1 1329 . 8 1 1 A 115 115 GLY HA2 H 115 4.172 4.177 -0.005 1
1 1330 . 8 1 1 A 115 115 GLY HA3 H 115 4.094 4.177 -0.083 1
1 1331 . 8 1 1 A 115 115 GLY C C 115 171.799 173.857 -2.058 1
1 1332 . 8 1 1 A 115 115 GLY CA C 115 44.662 44.881 -0.219 1
1 1333 . 8 1 1 A 115 115 GLY N N 115 110.600 109.230 1.370 1
1 1334 . 8 1 1 A 116 116 PRO HA H 116 4.472 4.442 0.030 1
1 1341 . 8 1 1 A 116 116 PRO C C 116 177.440 176.696 0.744 1
1 1342 . 8 1 1 A 116 116 PRO CA C 116 63.275 64.719 -1.444 1
1 1343 . 8 1 1 A 116 116 PRO CB C 116 32.169 32.113 0.056 1
1 1346 . 8 1 1 A 117 117 SER HA H 117 4.505 4.721 -0.216 1
1 1348 . 8 1 1 A 117 117 SER C C 117 174.652 173.585 1.067 1
1 1349 . 8 1 1 A 117 117 SER CA C 117 58.393 56.925 1.468 1
1 1350 . 8 1 1 A 117 117 SER CB C 117 63.899 64.140 -0.241 1
1 1351 . 8 1 1 A 117 117 SER N N 117 116.140 110.208 5.932 1
1 1352 . 8 1 1 A 118 118 SER H H 118 8.314 8.685 -0.371 1
1 1353 . 8 1 1 A 118 118 SER HA H 118 4.494 5.173 -0.679 1
1 1355 . 8 1 1 A 118 118 SER C C 118 173.938 174.589 -0.651 1
1 1356 . 8 1 1 A 118 118 SER CA C 118 58.428 56.418 2.010 1
1 1357 . 8 1 1 A 118 118 SER CB C 118 63.929 66.096 -2.167 1
1 1358 . 8 1 1 A 118 118 SER N N 118 117.760 119.684 -1.924 1
1 6 . 9 1 1 A 4 4 GLY H H 4 8.507 8.477 0.030 1
1 7 . 9 1 1 A 4 4 GLY HA2 H 4 4.513 4.171 0.342 1
1 8 . 9 1 1 A 4 4 GLY HA3 H 4 3.859 4.171 -0.312 1
1 9 . 9 1 1 A 4 4 GLY CA C 4 44.199 44.346 -0.147 1
1 10 . 9 1 1 A 4 4 GLY N N 4 116.148 108.600 7.548 1
1 11 . 9 1 1 A 6 6 SER HA H 6 4.472 4.546 -0.074 1
1 13 . 9 1 1 A 6 6 SER C C 6 174.998 174.234 0.764 1
1 14 . 9 1 1 A 6 6 SER CA C 6 58.657 57.617 1.040 1
1 15 . 9 1 1 A 6 6 SER CB C 6 64.025 64.679 -0.654 1
1 16 . 9 1 1 A 7 7 GLY H H 7 8.399 8.671 -0.272 1
1 17 . 9 1 1 A 7 7 GLY HA2 H 7 3.963 3.943 0.020 1
1 18 . 9 1 1 A 7 7 GLY HA3 H 7 3.963 3.943 0.020 1
1 19 . 9 1 1 A 7 7 GLY C C 7 173.942 173.146 0.796 1
1 20 . 9 1 1 A 7 7 GLY CA C 7 45.332 46.841 -1.509 1
1 21 . 9 1 1 A 7 7 GLY N N 7 110.856 108.548 2.308 1
1 22 . 9 1 1 A 8 8 VAL H H 8 7.919 8.144 -0.225 1
1 23 . 9 1 1 A 8 8 VAL HA H 8 4.101 4.400 -0.299 1
1 31 . 9 1 1 A 8 8 VAL C C 8 175.827 175.589 0.238 1
1 32 . 9 1 1 A 8 8 VAL CA C 8 61.987 63.136 -1.149 1
1 33 . 9 1 1 A 8 8 VAL CB C 8 32.786 30.923 1.863 1
1 36 . 9 1 1 A 8 8 VAL N N 8 119.305 125.569 -6.264 1
1 37 . 9 1 1 A 9 9 ALA H H 9 8.367 8.731 -0.364 1
1 38 . 9 1 1 A 9 9 ALA HA H 9 4.329 5.017 -0.688 1
1 42 . 9 1 1 A 9 9 ALA C C 9 177.422 175.815 1.607 1
1 43 . 9 1 1 A 9 9 ALA CA C 9 52.399 52.033 0.366 1
1 44 . 9 1 1 A 9 9 ALA CB C 9 19.317 20.779 -1.462 1
1 45 . 9 1 1 A 9 9 ALA N N 9 128.175 128.516 -0.341 1
1 46 . 9 1 1 A 10 10 VAL H H 10 8.154 8.873 -0.719 1
1 47 . 9 1 1 A 10 10 VAL HA H 10 4.046 4.551 -0.505 1
1 55 . 9 1 1 A 10 10 VAL C C 10 176.076 175.121 0.955 1
1 56 . 9 1 1 A 10 10 VAL CA C 10 62.288 60.690 1.598 1
1 57 . 9 1 1 A 10 10 VAL CB C 10 32.786 35.907 -3.121 1
1 60 . 9 1 1 A 10 10 VAL N N 10 120.641 121.939 -1.298 1
1 61 . 9 1 1 A 11 11 ILE H H 11 8.261 8.507 -0.246 1
1 62 . 9 1 1 A 11 11 ILE HA H 11 4.148 4.090 0.058 1
1 72 . 9 1 1 A 11 11 ILE C C 11 175.857 176.645 -0.788 1
1 73 . 9 1 1 A 11 11 ILE CA C 11 60.842 62.508 -1.666 1
1 74 . 9 1 1 A 11 11 ILE CB C 11 38.776 37.870 0.906 1
1 78 . 9 1 1 A 11 11 ILE N N 11 125.253 126.203 -0.950 1
1 79 . 9 1 1 A 12 12 ASN H H 12 8.575 9.002 -0.427 1
1 80 . 9 1 1 A 12 12 ASN HA H 12 4.737 4.401 0.336 1
1 85 . 9 1 1 A 12 12 ASN C C 12 175.004 175.537 -0.533 1
1 86 . 9 1 1 A 12 12 ASN CA C 12 53.087 56.322 -3.235 1
1 87 . 9 1 1 A 12 12 ASN CB C 12 39.076 38.432 0.644 1
1 88 . 9 1 1 A 12 12 ASN N N 12 123.538 124.998 -1.460 1
1 90 . 9 1 1 A 13 13 SER H H 13 8.317 7.999 0.318 1
1 91 . 9 1 1 A 13 13 SER HA H 13 4.373 4.165 0.208 1
1 94 . 9 1 1 A 13 13 SER C C 13 174.118 173.028 1.090 1
1 95 . 9 1 1 A 13 13 SER CA C 13 58.375 59.295 -0.920 1
1 96 . 9 1 1 A 13 13 SER CB C 13 63.866 60.918 2.948 1
1 97 . 9 1 1 A 13 13 SER N N 13 116.982 111.807 5.175 1
1 98 . 9 1 1 A 14 14 ALA H H 14 8.317 7.693 0.624 1
1 99 . 9 1 1 A 14 14 ALA HA H 14 4.285 4.727 -0.442 1
1 103 . 9 1 1 A 14 14 ALA C C 14 177.298 177.906 -0.608 1
1 104 . 9 1 1 A 14 14 ALA CA C 14 52.628 50.633 1.995 1
1 105 . 9 1 1 A 14 14 ALA CB C 14 19.192 21.937 -2.745 1
1 106 . 9 1 1 A 14 14 ALA N N 14 125.606 121.058 4.548 1
1 107 . 9 1 1 A 15 15 GLN H H 15 8.221 8.731 -0.510 1
1 108 . 9 1 1 A 15 15 GLN HA H 15 4.237 4.134 0.103 1
1 115 . 9 1 1 A 15 15 GLN C C 15 174.741 175.059 -0.318 1
1 116 . 9 1 1 A 15 15 GLN CA C 15 55.925 59.034 -3.109 1
1 117 . 9 1 1 A 15 15 GLN CB C 15 29.990 28.143 1.847 1
1 119 . 9 1 1 A 15 15 GLN N N 15 119.248 120.657 -1.409 1
1 121 . 9 1 1 A 16 16 ASP H H 16 7.898 7.849 0.049 1
1 122 . 9 1 1 A 16 16 ASP HA H 16 4.714 5.090 -0.376 1
1 125 . 9 1 1 A 16 16 ASP C C 16 175.219 173.616 1.603 1
1 126 . 9 1 1 A 16 16 ASP CA C 16 53.387 53.124 0.263 1
1 127 . 9 1 1 A 16 16 ASP CB C 16 42.771 44.824 -2.053 1
1 128 . 9 1 1 A 16 16 ASP N N 16 119.674 117.608 2.066 1
1 129 . 9 1 1 A 17 17 ALA H H 17 8.256 8.479 -0.223 1
1 130 . 9 1 1 A 17 17 ALA HA H 17 4.549 4.803 -0.254 1
1 134 . 9 1 1 A 17 17 ALA C C 17 174.226 174.389 -0.163 1
1 135 . 9 1 1 A 17 17 ALA CA C 17 50.514 49.496 1.018 1
1 136 . 9 1 1 A 17 17 ALA CB C 17 16.689 22.480 -5.791 1
1 137 . 9 1 1 A 17 17 ALA N N 17 123.830 122.591 1.239 1
1 138 . 9 1 1 A 18 18 PRO HA H 18 4.247 4.750 -0.503 1
1 145 . 9 1 1 A 18 18 PRO CA C 18 63.135 62.807 0.328 1
1 146 . 9 1 1 A 18 18 PRO CB C 18 31.866 31.999 -0.133 1
1 149 . 9 1 1 A 19 19 SER HA H 19 4.524 4.591 -0.067 1
1 152 . 9 1 1 A 19 19 SER C C 19 173.934 173.941 -0.007 1
1 153 . 9 1 1 A 19 19 SER CA C 19 58.657 58.496 0.161 1
1 154 . 9 1 1 A 19 19 SER CB C 19 65.246 65.670 -0.424 1
1 155 . 9 1 1 A 20 20 GLU H H 20 7.589 7.714 -0.125 1
1 156 . 9 1 1 A 20 20 GLU HA H 20 4.604 4.835 -0.231 1
1 161 . 9 1 1 A 20 20 GLU C C 20 175.082 175.359 -0.277 1
1 162 . 9 1 1 A 20 20 GLU CA C 20 54.762 55.351 -0.589 1
1 163 . 9 1 1 A 20 20 GLU CB C 20 33.405 32.062 1.343 1
1 165 . 9 1 1 A 20 20 GLU N N 20 121.739 121.238 0.501 1
1 166 . 9 1 1 A 21 21 ALA H H 21 8.564 8.789 -0.225 1
1 167 . 9 1 1 A 21 21 ALA HA H 21 4.995 4.843 0.152 1
1 171 . 9 1 1 A 21 21 ALA C C 21 175.731 175.961 -0.230 1
1 172 . 9 1 1 A 21 21 ALA CA C 21 49.341 50.243 -0.902 1
1 173 . 9 1 1 A 21 21 ALA CB C 21 19.388 19.225 0.163 1
1 174 . 9 1 1 A 21 21 ALA N N 21 125.054 128.872 -3.818 1
1 175 . 9 1 1 A 22 22 PRO HA H 22 4.529 4.878 -0.349 1
1 182 . 9 1 1 A 22 22 PRO C C 22 174.830 176.883 -2.053 1
1 183 . 9 1 1 A 22 22 PRO CA C 22 63.076 62.728 0.348 1
1 184 . 9 1 1 A 22 22 PRO CB C 22 32.294 31.527 0.767 1
1 187 . 9 1 1 A 23 23 THR H H 23 7.442 8.484 -1.042 1
1 188 . 9 1 1 A 23 23 THR HA H 23 4.663 4.494 0.169 1
1 193 . 9 1 1 A 23 23 THR C C 23 172.878 174.705 -1.827 1
1 194 . 9 1 1 A 23 23 THR CA C 23 59.961 61.591 -1.630 1
1 195 . 9 1 1 A 23 23 THR CB C 23 72.337 69.863 2.474 1
1 197 . 9 1 1 A 23 23 THR N N 23 109.039 118.115 -9.076 1
1 198 . 9 1 1 A 24 24 GLU H H 24 8.782 8.939 -0.157 1
1 199 . 9 1 1 A 24 24 GLU HA H 24 3.911 3.852 0.059 1
1 204 . 9 1 1 A 24 24 GLU C C 24 175.816 174.806 1.010 1
1 205 . 9 1 1 A 24 24 GLU CA C 24 56.172 57.206 -1.034 1
1 206 . 9 1 1 A 24 24 GLU CB C 24 27.761 27.863 -0.102 1
1 208 . 9 1 1 A 24 24 GLU N N 24 115.227 119.106 -3.879 1
1 209 . 9 1 1 A 25 25 VAL H H 25 8.030 7.935 0.095 1
1 210 . 9 1 1 A 25 25 VAL HA H 25 4.891 4.720 0.171 1
1 218 . 9 1 1 A 25 25 VAL C C 25 177.065 175.337 1.728 1
1 219 . 9 1 1 A 25 25 VAL CA C 25 62.446 61.163 1.283 1
1 220 . 9 1 1 A 25 25 VAL CB C 25 31.471 33.470 -1.999 1
1 223 . 9 1 1 A 25 25 VAL N N 25 119.529 118.602 0.927 1
1 224 . 9 1 1 A 26 26 GLY H H 26 8.796 8.847 -0.051 1
1 225 . 9 1 1 A 26 26 GLY HA2 H 26 4.420 4.351 0.069 1
1 226 . 9 1 1 A 26 26 GLY HA3 H 26 3.646 4.354 -0.708 1
1 227 . 9 1 1 A 26 26 GLY C C 26 170.874 172.967 -2.093 1
1 228 . 9 1 1 A 26 26 GLY CA C 26 44.468 44.881 -0.413 1
1 229 . 9 1 1 A 26 26 GLY N N 26 114.560 114.892 -0.332 1
1 230 . 9 1 1 A 27 27 VAL H H 27 8.332 8.617 -0.285 1
1 231 . 9 1 1 A 27 27 VAL HA H 27 5.508 5.252 0.256 1
1 239 . 9 1 1 A 27 27 VAL C C 27 175.652 173.562 2.090 1
1 240 . 9 1 1 A 27 27 VAL CA C 27 58.279 59.593 -1.314 1
1 241 . 9 1 1 A 27 27 VAL CB C 27 36.230 35.255 0.975 1
1 244 . 9 1 1 A 27 27 VAL N N 27 110.792 116.642 -5.850 1
1 245 . 9 1 1 A 28 28 LYS H H 28 9.143 9.532 -0.389 1
1 246 . 9 1 1 A 28 28 LYS HA H 28 4.550 4.956 -0.406 1
1 254 . 9 1 1 A 28 28 LYS C C 28 175.150 175.122 0.028 1
1 255 . 9 1 1 A 28 28 LYS CA C 28 55.396 54.875 0.521 1
1 256 . 9 1 1 A 28 28 LYS CB C 28 35.134 33.928 1.206 1
1 260 . 9 1 1 A 28 28 LYS N N 28 123.314 126.147 -2.833 1
1 261 . 9 1 1 A 29 29 VAL H H 29 9.190 8.841 0.349 1
1 262 . 9 1 1 A 29 29 VAL HA H 29 3.939 4.302 -0.363 1
1 270 . 9 1 1 A 29 29 VAL C C 29 176.162 175.480 0.682 1
1 271 . 9 1 1 A 29 29 VAL CA C 29 64.332 61.928 2.404 1
1 272 . 9 1 1 A 29 29 VAL CB C 29 31.417 31.461 -0.044 1
1 275 . 9 1 1 A 29 29 VAL N N 29 127.176 126.725 0.451 1
1 276 . 9 1 1 A 30 30 LEU H H 30 8.108 8.502 -0.394 1
1 277 . 9 1 1 A 30 30 LEU HA H 30 4.375 4.126 0.249 1
1 287 . 9 1 1 A 30 30 LEU C C 30 177.477 176.905 0.572 1
1 288 . 9 1 1 A 30 30 LEU CA C 30 55.886 56.796 -0.910 1
1 289 . 9 1 1 A 30 30 LEU CB C 30 42.498 42.559 -0.061 1
1 293 . 9 1 1 A 30 30 LEU N N 30 128.053 130.109 -2.056 1
1 294 . 9 1 1 A 31 31 SER H H 31 8.152 7.954 0.198 1
1 295 . 9 1 1 A 31 31 SER HA H 31 4.748 4.742 0.006 1
1 298 . 9 1 1 A 31 31 SER C C 31 173.427 174.631 -1.204 1
1 299 . 9 1 1 A 31 31 SER CA C 31 57.811 57.572 0.239 1
1 300 . 9 1 1 A 31 31 SER CB C 31 64.517 66.960 -2.443 1
1 301 . 9 1 1 A 31 31 SER N N 31 112.798 110.951 1.847 1
1 302 . 9 1 1 A 32 32 SER H H 32 8.450 8.735 -0.285 1
1 303 . 9 1 1 A 32 32 SER HA H 32 4.604 4.204 0.400 1
1 306 . 9 1 1 A 32 32 SER C C 32 172.423 175.401 -2.978 1
1 307 . 9 1 1 A 32 32 SER CA C 32 59.414 61.636 -2.222 1
1 308 . 9 1 1 A 32 32 SER CB C 32 63.903 62.620 1.283 1
1 309 . 9 1 1 A 32 32 SER N N 32 112.687 117.530 -4.843 1
1 310 . 9 1 1 A 33 33 SER H H 33 8.355 7.738 0.617 1
1 311 . 9 1 1 A 33 33 SER HA H 33 4.759 4.581 0.178 1
1 314 . 9 1 1 A 33 33 SER C C 33 173.940 172.237 1.703 1
1 315 . 9 1 1 A 33 33 SER CA C 33 57.229 57.616 -0.387 1
1 316 . 9 1 1 A 33 33 SER CB C 33 66.786 63.603 3.183 1
1 317 . 9 1 1 A 33 33 SER N N 33 109.767 114.169 -4.402 1
1 318 . 9 1 1 A 34 34 GLU H H 34 6.978 7.551 -0.573 1
1 319 . 9 1 1 A 34 34 GLU HA H 34 5.487 5.134 0.353 1
1 324 . 9 1 1 A 34 34 GLU C C 34 175.294 174.798 0.496 1
1 325 . 9 1 1 A 34 34 GLU CA C 34 55.130 55.150 -0.020 1
1 326 . 9 1 1 A 34 34 GLU CB C 34 35.711 33.217 2.494 1
1 328 . 9 1 1 A 34 34 GLU N N 34 119.009 117.788 1.221 1
1 329 . 9 1 1 A 35 35 ILE H H 35 8.190 8.466 -0.276 1
1 330 . 9 1 1 A 35 35 ILE HA H 35 4.477 4.855 -0.378 1
1 340 . 9 1 1 A 35 35 ILE C C 35 173.681 173.869 -0.188 1
1 341 . 9 1 1 A 35 35 ILE CA C 35 60.203 60.137 0.066 1
1 342 . 9 1 1 A 35 35 ILE CB C 35 43.791 41.952 1.839 1
1 346 . 9 1 1 A 35 35 ILE N N 35 120.691 123.434 -2.743 1
1 347 . 9 1 1 A 36 36 SER H H 36 9.269 8.722 0.547 1
1 348 . 9 1 1 A 36 36 SER HA H 36 5.300 5.333 -0.033 1
1 351 . 9 1 1 A 36 36 SER C C 36 172.945 173.403 -0.458 1
1 352 . 9 1 1 A 36 36 SER CA C 36 56.549 56.816 -0.267 1
1 353 . 9 1 1 A 36 36 SER CB C 36 64.591 64.548 0.043 1
1 354 . 9 1 1 A 36 36 SER N N 36 120.471 122.702 -2.231 1
1 355 . 9 1 1 A 37 37 VAL H H 37 9.000 9.352 -0.352 1
1 356 . 9 1 1 A 37 37 VAL HA H 37 4.902 4.474 0.428 1
1 364 . 9 1 1 A 37 37 VAL C C 37 173.530 175.038 -1.508 1
1 365 . 9 1 1 A 37 37 VAL CA C 37 60.261 61.708 -1.447 1
1 366 . 9 1 1 A 37 37 VAL CB C 37 35.001 32.680 2.321 1
1 369 . 9 1 1 A 37 37 VAL N N 37 127.009 126.497 0.512 1
1 370 . 9 1 1 A 38 38 HIS H H 38 8.779 8.997 -0.218 1
1 371 . 9 1 1 A 38 38 HIS HA H 38 5.238 4.877 0.361 1
1 376 . 9 1 1 A 38 38 HIS C C 38 173.545 174.984 -1.439 1
1 377 . 9 1 1 A 38 38 HIS CA C 38 54.991 54.768 0.223 1
1 378 . 9 1 1 A 38 38 HIS CB C 38 32.564 32.002 0.562 1
1 381 . 9 1 1 A 38 38 HIS N N 38 123.115 125.318 -2.203 1
1 382 . 9 1 1 A 39 39 TRP H H 39 7.682 8.182 -0.500 1
1 383 . 9 1 1 A 39 39 TRP HA H 39 5.044 5.363 -0.319 1
1 392 . 9 1 1 A 39 39 TRP C C 39 173.585 172.831 0.754 1
1 393 . 9 1 1 A 39 39 TRP CA C 39 57.170 55.335 1.835 1
1 394 . 9 1 1 A 39 39 TRP CB C 39 31.554 32.061 -0.507 1
1 400 . 9 1 1 A 39 39 TRP N N 39 116.447 119.388 -2.941 1
1 402 . 9 1 1 A 40 40 GLU H H 40 8.522 8.476 0.046 1
1 403 . 9 1 1 A 40 40 GLU HA H 40 4.619 4.741 -0.122 1
1 408 . 9 1 1 A 40 40 GLU C C 40 177.186 176.988 0.198 1
1 409 . 9 1 1 A 40 40 GLU CA C 40 54.356 55.207 -0.851 1
1 410 . 9 1 1 A 40 40 GLU CB C 40 30.344 31.318 -0.974 1
1 412 . 9 1 1 A 40 40 GLU N N 40 117.208 121.218 -4.010 1
1 413 . 9 1 1 A 41 41 HIS H H 41 8.477 8.776 -0.299 1
1 414 . 9 1 1 A 41 41 HIS HA H 41 4.748 5.000 -0.252 1
1 419 . 9 1 1 A 41 41 HIS C C 41 177.474 176.036 1.438 1
1 420 . 9 1 1 A 41 41 HIS CA C 41 54.779 57.349 -2.570 1
1 421 . 9 1 1 A 41 41 HIS CB C 41 31.140 30.446 0.694 1
1 424 . 9 1 1 A 41 41 HIS N N 41 119.083 124.814 -5.731 1
1 425 . 9 1 1 A 42 42 VAL H H 42 7.680 8.656 -0.976 1
1 426 . 9 1 1 A 42 42 VAL HA H 42 4.428 4.498 -0.070 1
1 434 . 9 1 1 A 42 42 VAL C C 42 175.401 177.282 -1.881 1
1 435 . 9 1 1 A 42 42 VAL CA C 42 60.878 61.392 -0.514 1
1 436 . 9 1 1 A 42 42 VAL CB C 42 32.216 33.898 -1.682 1
1 439 . 9 1 1 A 42 42 VAL N N 42 114.975 122.670 -7.695 1
1 440 . 9 1 1 A 43 43 LEU H H 43 9.107 8.757 0.350 1
1 441 . 9 1 1 A 43 43 LEU HA H 43 4.303 4.164 0.139 1
1 451 . 9 1 1 A 43 43 LEU C C 43 178.603 177.286 1.317 1
1 452 . 9 1 1 A 43 43 LEU CA C 43 55.872 57.565 -1.693 1
1 453 . 9 1 1 A 43 43 LEU CB C 43 41.684 41.901 -0.217 1
1 457 . 9 1 1 A 43 43 LEU N N 43 123.877 120.368 3.509 1
1 458 . 9 1 1 A 44 44 GLU H H 44 7.988 7.781 0.207 1
1 459 . 9 1 1 A 44 44 GLU HA H 44 4.152 4.500 -0.348 1
1 464 . 9 1 1 A 44 44 GLU C C 44 177.236 176.047 1.189 1
1 465 . 9 1 1 A 44 44 GLU CA C 44 57.282 55.626 1.656 1
1 466 . 9 1 1 A 44 44 GLU CB C 44 31.033 29.086 1.947 1
1 468 . 9 1 1 A 44 44 GLU N N 44 119.655 121.012 -1.357 1
1 469 . 9 1 1 A 45 45 LYS H H 45 8.596 8.593 0.003 1
1 470 . 9 1 1 A 45 45 LYS HA H 45 4.295 4.197 0.098 1
1 479 . 9 1 1 A 45 45 LYS C C 45 177.258 178.467 -1.209 1
1 480 . 9 1 1 A 45 45 LYS CA C 45 57.170 57.453 -0.283 1
1 481 . 9 1 1 A 45 45 LYS CB C 45 32.204 32.005 0.199 1
1 485 . 9 1 1 A 45 45 LYS N N 45 120.518 125.217 -4.699 1
1 486 . 9 1 1 A 46 46 ILE H H 46 7.212 7.644 -0.432 1
1 487 . 9 1 1 A 46 46 ILE HA H 46 4.371 4.098 0.273 1
1 497 . 9 1 1 A 46 46 ILE C C 46 175.191 176.290 -1.099 1
1 498 . 9 1 1 A 46 46 ILE CA C 46 60.666 63.390 -2.724 1
1 499 . 9 1 1 A 46 46 ILE CB C 46 37.531 37.559 -0.028 1
1 503 . 9 1 1 A 46 46 ILE N N 46 111.434 113.119 -1.685 1
1 504 . 9 1 1 A 47 47 VAL H H 47 7.378 6.834 0.544 1
1 505 . 9 1 1 A 47 47 VAL HA H 47 3.658 3.854 -0.196 1
1 513 . 9 1 1 A 47 47 VAL C C 47 175.157 175.663 -0.506 1
1 514 . 9 1 1 A 47 47 VAL CA C 47 63.521 62.272 1.249 1
1 515 . 9 1 1 A 47 47 VAL CB C 47 33.570 32.373 1.197 1
1 518 . 9 1 1 A 47 47 VAL N N 47 122.780 122.306 0.474 1
1 519 . 9 1 1 A 48 48 GLU H H 48 8.733 8.641 0.092 1
1 520 . 9 1 1 A 48 48 GLU HA H 48 4.615 4.339 0.276 1
1 525 . 9 1 1 A 48 48 GLU C C 48 176.241 176.391 -0.150 1
1 526 . 9 1 1 A 48 48 GLU CA C 48 56.701 58.550 -1.849 1
1 527 . 9 1 1 A 48 48 GLU CB C 48 32.966 30.918 2.048 1
1 529 . 9 1 1 A 48 48 GLU N N 48 124.835 123.625 1.210 1
1 530 . 9 1 1 A 49 49 SER H H 49 8.130 7.592 0.538 1
1 531 . 9 1 1 A 49 49 SER HA H 49 4.726 4.882 -0.156 1
1 534 . 9 1 1 A 49 49 SER C C 49 171.371 171.775 -0.404 1
1 535 . 9 1 1 A 49 49 SER CA C 49 57.440 57.800 -0.360 1
1 536 . 9 1 1 A 49 49 SER CB C 49 66.073 66.435 -0.362 1
1 537 . 9 1 1 A 49 49 SER N N 49 114.231 111.881 2.350 1
1 538 . 9 1 1 A 50 50 TYR H H 50 8.681 8.440 0.241 1
1 539 . 9 1 1 A 50 50 TYR HA H 50 5.057 4.836 0.221 1
1 546 . 9 1 1 A 50 50 TYR C C 50 174.034 175.431 -1.397 1
1 547 . 9 1 1 A 50 50 TYR CA C 50 57.434 56.846 0.588 1
1 548 . 9 1 1 A 50 50 TYR CB C 50 41.437 38.147 3.290 1
1 553 . 9 1 1 A 50 50 TYR N N 50 115.301 121.248 -5.947 1
1 554 . 9 1 1 A 51 51 GLN H H 51 9.200 7.840 1.360 1
1 555 . 9 1 1 A 51 51 GLN HA H 51 5.144 4.498 0.646 1
1 562 . 9 1 1 A 51 51 GLN C C 51 173.878 175.053 -1.175 1
1 563 . 9 1 1 A 51 51 GLN CA C 51 53.669 55.801 -2.132 1
1 564 . 9 1 1 A 51 51 GLN CB C 51 32.783 28.897 3.886 1
1 566 . 9 1 1 A 51 51 GLN N N 51 119.842 123.065 -3.223 1
1 568 . 9 1 1 A 52 52 ILE H H 52 9.441 9.123 0.318 1
1 569 . 9 1 1 A 52 52 ILE HA H 52 4.803 4.783 0.020 1
1 579 . 9 1 1 A 52 52 ILE C C 52 174.953 174.620 0.333 1
1 580 . 9 1 1 A 52 52 ILE CA C 52 61.054 60.584 0.470 1
1 581 . 9 1 1 A 52 52 ILE CB C 52 39.108 37.462 1.646 1
1 585 . 9 1 1 A 52 52 ILE N N 52 128.547 126.759 1.788 1
1 586 . 9 1 1 A 53 53 ARG H H 53 9.169 9.136 0.033 1
1 587 . 9 1 1 A 53 53 ARG HA H 53 5.628 5.345 0.283 1
1 594 . 9 1 1 A 53 53 ARG C C 53 174.869 175.851 -0.982 1
1 595 . 9 1 1 A 53 53 ARG CA C 53 54.479 55.425 -0.946 1
1 596 . 9 1 1 A 53 53 ARG CB C 53 33.942 31.378 2.564 1
1 599 . 9 1 1 A 53 53 ARG N N 53 127.779 129.369 -1.590 1
1 600 . 9 1 1 A 54 54 TYR H H 54 8.671 8.778 -0.107 1
1 601 . 9 1 1 A 54 54 TYR HA H 54 6.310 6.056 0.254 1
1 608 . 9 1 1 A 54 54 TYR C C 54 173.965 173.964 0.001 1
1 609 . 9 1 1 A 54 54 TYR CA C 54 55.291 56.031 -0.740 1
1 610 . 9 1 1 A 54 54 TYR CB C 54 41.930 42.426 -0.496 1
1 615 . 9 1 1 A 54 54 TYR N N 54 117.929 122.073 -4.144 1
1 616 . 9 1 1 A 55 55 TRP H H 55 8.928 8.734 0.194 1
1 617 . 9 1 1 A 55 55 TRP HA H 55 5.054 5.107 -0.053 1
1 626 . 9 1 1 A 55 55 TRP C C 55 172.613 173.700 -1.087 1
1 627 . 9 1 1 A 55 55 TRP CA C 55 56.577 55.585 0.992 1
1 628 . 9 1 1 A 55 55 TRP CB C 55 32.118 31.627 0.491 1
1 634 . 9 1 1 A 55 55 TRP N N 55 121.459 119.203 2.256 1
1 636 . 9 1 1 A 56 56 ALA H H 56 8.870 7.886 0.984 1
1 637 . 9 1 1 A 56 56 ALA HA H 56 4.053 3.841 0.212 1
1 641 . 9 1 1 A 56 56 ALA C C 56 179.868 178.186 1.682 1
1 642 . 9 1 1 A 56 56 ALA CA C 56 50.478 51.973 -1.495 1
1 643 . 9 1 1 A 56 56 ALA CB C 56 19.108 18.426 0.682 1
1 644 . 9 1 1 A 56 56 ALA N N 56 124.214 122.814 1.400 1
1 645 . 9 1 1 A 57 57 ALA H H 57 8.147 8.408 -0.261 1
1 646 . 9 1 1 A 57 57 ALA HA H 57 3.913 4.106 -0.193 1
1 650 . 9 1 1 A 57 57 ALA C C 57 178.479 180.005 -1.526 1
1 651 . 9 1 1 A 57 57 ALA CA C 57 54.832 55.673 -0.841 1
1 652 . 9 1 1 A 57 57 ALA CB C 57 19.317 18.182 1.135 1
1 653 . 9 1 1 A 57 57 ALA N N 57 120.999 125.421 -4.422 1
1 654 . 9 1 1 A 58 58 HIS H H 58 7.274 7.714 -0.440 1
1 655 . 9 1 1 A 58 58 HIS HA H 58 4.605 4.375 0.230 1
1 660 . 9 1 1 A 58 58 HIS C C 58 175.349 175.482 -0.133 1
1 661 . 9 1 1 A 58 58 HIS CA C 58 56.066 58.825 -2.759 1
1 662 . 9 1 1 A 58 58 HIS CB C 58 29.780 28.988 0.792 1
1 665 . 9 1 1 A 58 58 HIS N N 58 109.961 114.802 -4.841 1
1 666 . 9 1 1 A 59 59 ASP H H 59 7.945 7.441 0.504 1
1 667 . 9 1 1 A 59 59 ASP HA H 59 4.869 4.591 0.278 1
1 670 . 9 1 1 A 59 59 ASP C C 59 175.895 176.031 -0.136 1
1 671 . 9 1 1 A 59 59 ASP CA C 59 53.898 55.017 -1.119 1
1 672 . 9 1 1 A 59 59 ASP CB C 59 42.385 41.284 1.101 1
1 673 . 9 1 1 A 59 59 ASP N N 59 123.825 121.232 2.593 1
1 674 . 9 1 1 A 60 60 LYS H H 60 8.147 8.634 -0.487 1
1 675 . 9 1 1 A 60 60 LYS HA H 60 4.197 4.623 -0.426 1
1 682 . 9 1 1 A 60 60 LYS C C 60 177.212 177.248 -0.036 1
1 683 . 9 1 1 A 60 60 LYS CA C 60 56.121 54.569 1.552 1
1 684 . 9 1 1 A 60 60 LYS CB C 60 32.951 34.821 -1.870 1
1 688 . 9 1 1 A 60 60 LYS N N 60 117.803 120.524 -2.721 1
1 689 . 9 1 1 A 61 61 GLU H H 61 8.381 8.865 -0.484 1
1 690 . 9 1 1 A 61 61 GLU HA H 61 2.603 3.277 -0.674 1
1 695 . 9 1 1 A 61 61 GLU C C 61 178.058 178.184 -0.126 1
1 696 . 9 1 1 A 61 61 GLU CA C 61 58.622 58.465 0.157 1
1 697 . 9 1 1 A 61 61 GLU CB C 61 28.709 28.820 -0.111 1
1 699 . 9 1 1 A 61 61 GLU N N 61 122.310 120.713 1.597 1
1 700 . 9 1 1 A 62 62 GLU H H 62 8.470 8.800 -0.330 1
1 701 . 9 1 1 A 62 62 GLU HA H 62 3.919 4.015 -0.096 1
1 706 . 9 1 1 A 62 62 GLU C C 62 176.293 177.299 -1.006 1
1 707 . 9 1 1 A 62 62 GLU CA C 62 57.899 58.838 -0.939 1
1 708 . 9 1 1 A 62 62 GLU CB C 62 28.796 28.576 0.220 1
1 710 . 9 1 1 A 62 62 GLU N N 62 117.600 118.974 -1.374 1
1 711 . 9 1 1 A 63 63 ALA H H 63 7.760 7.052 0.708 1
1 712 . 9 1 1 A 63 63 ALA HA H 63 4.443 4.355 0.088 1
1 716 . 9 1 1 A 63 63 ALA C C 63 176.867 176.993 -0.126 1
1 717 . 9 1 1 A 63 63 ALA CA C 63 51.095 51.407 -0.312 1
1 718 . 9 1 1 A 63 63 ALA CB C 63 18.845 18.976 -0.131 1
1 719 . 9 1 1 A 63 63 ALA N N 63 123.067 120.484 2.583 1
1 720 . 9 1 1 A 64 64 ALA H H 64 7.389 6.902 0.487 1
1 721 . 9 1 1 A 64 64 ALA HA H 64 4.175 4.355 -0.180 1
1 725 . 9 1 1 A 64 64 ALA C C 64 177.784 177.080 0.704 1
1 726 . 9 1 1 A 64 64 ALA CA C 64 53.099 50.762 2.337 1
1 727 . 9 1 1 A 64 64 ALA CB C 64 19.784 19.887 -0.103 1
1 728 . 9 1 1 A 64 64 ALA N N 64 121.409 120.988 0.421 1
1 729 . 9 1 1 A 65 65 ASN H H 65 8.152 7.883 0.269 1
1 730 . 9 1 1 A 65 65 ASN HA H 65 4.714 5.244 -0.530 1
1 735 . 9 1 1 A 65 65 ASN C C 65 173.533 174.543 -1.010 1
1 736 . 9 1 1 A 65 65 ASN CA C 65 52.523 52.530 -0.007 1
1 737 . 9 1 1 A 65 65 ASN CB C 65 40.739 40.318 0.421 1
1 738 . 9 1 1 A 65 65 ASN N N 65 119.620 119.731 -0.111 1
1 740 . 9 1 1 A 66 66 ARG H H 66 8.366 8.567 -0.201 1
1 741 . 9 1 1 A 66 66 ARG HA H 66 5.760 5.598 0.162 1
1 748 . 9 1 1 A 66 66 ARG C C 66 175.946 175.086 0.860 1
1 749 . 9 1 1 A 66 66 ARG CA C 66 54.902 54.281 0.621 1
1 750 . 9 1 1 A 66 66 ARG CB C 66 34.116 34.181 -0.065 1
1 753 . 9 1 1 A 66 66 ARG N N 66 116.911 119.839 -2.928 1
1 754 . 9 1 1 A 67 67 VAL H H 67 9.057 8.893 0.164 1
1 755 . 9 1 1 A 67 67 VAL HA H 67 4.520 4.539 -0.019 1
1 763 . 9 1 1 A 67 67 VAL C C 67 173.731 174.708 -0.977 1
1 764 . 9 1 1 A 67 67 VAL CA C 67 60.845 61.508 -0.663 1
1 765 . 9 1 1 A 67 67 VAL CB C 67 35.917 31.696 4.221 1
1 768 . 9 1 1 A 67 67 VAL N N 67 122.047 123.913 -1.866 1
1 769 . 9 1 1 A 68 68 GLN H H 68 8.741 8.921 -0.180 1
1 770 . 9 1 1 A 68 68 GLN HA H 68 5.543 4.672 0.871 1
1 777 . 9 1 1 A 68 68 GLN C C 68 175.452 175.856 -0.404 1
1 778 . 9 1 1 A 68 68 GLN CA C 68 54.462 55.646 -1.184 1
1 779 . 9 1 1 A 68 68 GLN CB C 68 32.087 29.430 2.657 1
1 781 . 9 1 1 A 68 68 GLN N N 68 124.250 128.078 -3.828 1
1 783 . 9 1 1 A 69 69 VAL H H 69 8.912 8.852 0.060 1
1 784 . 9 1 1 A 69 69 VAL HA H 69 5.012 4.979 0.033 1
1 792 . 9 1 1 A 69 69 VAL C C 69 175.870 175.080 0.790 1
1 793 . 9 1 1 A 69 69 VAL CA C 69 59.045 59.485 -0.440 1
1 794 . 9 1 1 A 69 69 VAL CB C 69 35.106 35.195 -0.089 1
1 797 . 9 1 1 A 69 69 VAL N N 69 117.045 121.660 -4.615 1
1 798 . 9 1 1 A 70 70 THR H H 70 8.491 8.574 -0.083 1
1 799 . 9 1 1 A 70 70 THR HA H 70 4.585 4.330 0.255 1
1 804 . 9 1 1 A 70 70 THR C C 70 175.015 176.160 -1.145 1
1 805 . 9 1 1 A 70 70 THR CA C 70 62.917 62.646 0.271 1
1 806 . 9 1 1 A 70 70 THR CB C 70 70.767 69.071 1.696 1
1 808 . 9 1 1 A 70 70 THR N N 70 111.495 117.773 -6.278 1
1 809 . 9 1 1 A 71 71 SER H H 71 7.522 8.947 -1.425 1
1 810 . 9 1 1 A 71 71 SER HA H 71 4.148 4.456 -0.308 1
1 813 . 9 1 1 A 71 71 SER C C 71 174.340 176.664 -2.324 1
1 814 . 9 1 1 A 71 71 SER CA C 71 59.749 61.930 -2.181 1
1 815 . 9 1 1 A 71 71 SER CB C 71 63.060 62.648 0.412 1
1 816 . 9 1 1 A 71 71 SER N N 71 111.553 123.670 -12.117 1
1 817 . 9 1 1 A 72 72 GLN H H 72 7.718 7.919 -0.201 1
1 818 . 9 1 1 A 72 72 GLN HA H 72 4.428 4.316 0.112 1
1 823 . 9 1 1 A 72 72 GLN C C 72 176.456 177.035 -0.579 1
1 824 . 9 1 1 A 72 72 GLN CA C 72 56.630 58.118 -1.488 1
1 825 . 9 1 1 A 72 72 GLN CB C 72 29.373 28.689 0.684 1
1 827 . 9 1 1 A 72 72 GLN N N 72 117.502 118.225 -0.723 1
1 829 . 9 1 1 A 73 73 GLU H H 73 7.650 7.980 -0.330 1
1 830 . 9 1 1 A 73 73 GLU HA H 73 4.408 4.639 -0.231 1
1 835 . 9 1 1 A 73 73 GLU C C 73 176.484 176.263 0.221 1
1 836 . 9 1 1 A 73 73 GLU CA C 73 56.472 55.300 1.172 1
1 837 . 9 1 1 A 73 73 GLU CB C 73 31.962 28.817 3.145 1
1 839 . 9 1 1 A 73 73 GLU N N 73 119.175 120.258 -1.083 1
1 840 . 9 1 1 A 74 74 TYR H H 74 8.615 8.285 0.330 1
1 841 . 9 1 1 A 74 74 TYR HA H 74 3.427 4.025 -0.598 1
1 848 . 9 1 1 A 74 74 TYR C C 74 171.853 175.169 -3.316 1
1 849 . 9 1 1 A 74 74 TYR CA C 74 56.565 60.059 -3.494 1
1 850 . 9 1 1 A 74 74 TYR CB C 74 39.410 38.014 1.396 1
1 855 . 9 1 1 A 74 74 TYR N N 74 118.997 124.500 -5.503 1
1 856 . 9 1 1 A 75 75 SER H H 75 6.801 7.703 -0.902 1
1 857 . 9 1 1 A 75 75 SER HA H 75 5.001 3.978 1.023 1
1 860 . 9 1 1 A 75 75 SER C C 75 172.976 171.864 1.112 1
1 861 . 9 1 1 A 75 75 SER CA C 75 56.154 56.358 -0.204 1
1 862 . 9 1 1 A 75 75 SER CB C 75 66.541 66.128 0.413 1
1 863 . 9 1 1 A 75 75 SER N N 75 109.803 111.167 -1.364 1
1 864 . 9 1 1 A 76 76 ALA H H 76 8.897 8.531 0.366 1
1 865 . 9 1 1 A 76 76 ALA HA H 76 4.604 5.284 -0.680 1
1 869 . 9 1 1 A 76 76 ALA C C 76 174.777 175.094 -0.317 1
1 870 . 9 1 1 A 76 76 ALA CA C 76 51.359 50.623 0.736 1
1 871 . 9 1 1 A 76 76 ALA CB C 76 23.140 24.377 -1.237 1
1 872 . 9 1 1 A 76 76 ALA N N 76 120.416 122.865 -2.449 1
1 873 . 9 1 1 A 77 77 ARG H H 77 8.529 8.738 -0.209 1
1 874 . 9 1 1 A 77 77 ARG HA H 77 4.681 5.079 -0.398 1
1 881 . 9 1 1 A 77 77 ARG C C 77 174.533 174.319 0.214 1
1 882 . 9 1 1 A 77 77 ARG CA C 77 54.973 54.287 0.686 1
1 883 . 9 1 1 A 77 77 ARG CB C 77 31.839 34.141 -2.302 1
1 886 . 9 1 1 A 77 77 ARG N N 77 121.172 120.440 0.732 1
1 887 . 9 1 1 A 78 78 LEU H H 78 9.089 9.143 -0.054 1
1 888 . 9 1 1 A 78 78 LEU HA H 78 4.396 5.123 -0.727 1
1 898 . 9 1 1 A 78 78 LEU C C 78 175.107 175.437 -0.330 1
1 899 . 9 1 1 A 78 78 LEU CA C 78 53.333 53.149 0.184 1
1 900 . 9 1 1 A 78 78 LEU CB C 78 41.272 45.257 -3.985 1
1 904 . 9 1 1 A 78 78 LEU N N 78 126.698 127.109 -0.411 1
1 905 . 9 1 1 A 79 79 GLU H H 79 8.239 8.749 -0.510 1
1 906 . 9 1 1 A 79 79 GLU HA H 79 5.034 5.040 -0.006 1
1 911 . 9 1 1 A 79 79 GLU C C 79 174.792 175.610 -0.818 1
1 912 . 9 1 1 A 79 79 GLU CA C 79 54.056 54.573 -0.517 1
1 913 . 9 1 1 A 79 79 GLU CB C 79 33.692 33.350 0.342 1
1 915 . 9 1 1 A 79 79 GLU N N 79 119.147 121.300 -2.153 1
1 916 . 9 1 1 A 80 80 ASN H H 80 9.068 8.700 0.368 1
1 917 . 9 1 1 A 80 80 ASN HA H 80 4.303 4.315 -0.012 1
1 922 . 9 1 1 A 80 80 ASN C C 80 174.823 174.164 0.659 1
1 923 . 9 1 1 A 80 80 ASN CA C 80 54.462 54.220 0.242 1
1 924 . 9 1 1 A 80 80 ASN CB C 80 37.359 37.113 0.246 1
1 925 . 9 1 1 A 80 80 ASN N N 80 113.324 116.496 -3.172 1
1 927 . 9 1 1 A 81 81 LEU H H 81 8.671 7.670 1.001 1
1 928 . 9 1 1 A 81 81 LEU HA H 81 4.252 4.645 -0.393 1
1 938 . 9 1 1 A 81 81 LEU C C 81 175.804 176.225 -0.421 1
1 939 . 9 1 1 A 81 81 LEU CA C 81 53.841 53.407 0.434 1
1 940 . 9 1 1 A 81 81 LEU CB C 81 40.891 43.075 -2.184 1
1 944 . 9 1 1 A 81 81 LEU N N 81 117.886 119.240 -1.354 1
1 945 . 9 1 1 A 82 82 LEU H H 82 8.448 8.391 0.057 1
1 946 . 9 1 1 A 82 82 LEU HA H 82 4.600 4.580 0.020 1
1 956 . 9 1 1 A 82 82 LEU C C 82 175.149 174.798 0.351 1
1 957 . 9 1 1 A 82 82 LEU CA C 82 52.629 53.774 -1.145 1
1 958 . 9 1 1 A 82 82 LEU CB C 82 42.449 41.473 0.976 1
1 962 . 9 1 1 A 82 82 LEU N N 82 121.118 124.966 -3.848 1
1 963 . 9 1 1 A 83 83 PRO HA H 83 5.237 4.378 0.859 1
1 970 . 9 1 1 A 83 83 PRO C C 83 178.145 177.199 0.946 1
1 971 . 9 1 1 A 83 83 PRO CA C 83 62.472 63.073 -0.601 1
1 972 . 9 1 1 A 83 83 PRO CB C 83 33.232 32.333 0.899 1
1 975 . 9 1 1 A 84 84 ASP H H 84 7.943 9.357 -1.414 1
1 976 . 9 1 1 A 84 84 ASP HA H 84 4.208 4.254 -0.046 1
1 979 . 9 1 1 A 84 84 ASP C C 84 174.476 174.719 -0.243 1
1 980 . 9 1 1 A 84 84 ASP CA C 84 54.250 55.009 -0.759 1
1 981 . 9 1 1 A 84 84 ASP CB C 84 41.568 39.500 2.068 1
1 982 . 9 1 1 A 84 84 ASP N N 84 126.496 121.778 4.718 1
1 983 . 9 1 1 A 85 85 THR H H 85 8.261 8.104 0.157 1
1 984 . 9 1 1 A 85 85 THR HA H 85 4.381 4.694 -0.313 1
1 989 . 9 1 1 A 85 85 THR C C 85 170.639 172.773 -2.134 1
1 990 . 9 1 1 A 85 85 THR CA C 85 62.951 61.104 1.847 1
1 991 . 9 1 1 A 85 85 THR CB C 85 72.217 71.837 0.380 1
1 993 . 9 1 1 A 85 85 THR N N 85 114.015 112.821 1.194 1
1 994 . 9 1 1 A 86 86 GLN H H 86 8.221 8.560 -0.339 1
1 995 . 9 1 1 A 86 86 GLN HA H 86 3.664 4.229 -0.565 1
1 1002 . 9 1 1 A 86 86 GLN C C 86 172.890 174.295 -1.405 1
1 1003 . 9 1 1 A 86 86 GLN CA C 86 54.585 54.962 -0.377 1
1 1004 . 9 1 1 A 86 86 GLN CB C 86 28.836 29.244 -0.408 1
1 1006 . 9 1 1 A 86 86 GLN N N 86 127.039 126.562 0.477 1
1 1008 . 9 1 1 A 87 87 TYR H H 87 8.976 8.672 0.304 1
1 1009 . 9 1 1 A 87 87 TYR HA H 87 4.583 5.016 -0.433 1
1 1016 . 9 1 1 A 87 87 TYR C C 87 173.534 175.010 -1.476 1
1 1017 . 9 1 1 A 87 87 TYR CA C 87 57.599 56.418 1.181 1
1 1018 . 9 1 1 A 87 87 TYR CB C 87 42.344 40.376 1.968 1
1 1023 . 9 1 1 A 87 87 TYR N N 87 126.060 126.009 0.051 1
1 1024 . 9 1 1 A 88 88 PHE H H 88 8.388 8.480 -0.092 1
1 1025 . 9 1 1 A 88 88 PHE HA H 88 4.902 4.667 0.235 1
1 1033 . 9 1 1 A 88 88 PHE C C 88 175.238 174.692 0.546 1
1 1034 . 9 1 1 A 88 88 PHE CA C 88 55.872 57.065 -1.193 1
1 1035 . 9 1 1 A 88 88 PHE CB C 88 40.284 37.404 2.880 1
1 1041 . 9 1 1 A 88 88 PHE N N 88 118.991 123.205 -4.214 1
1 1042 . 9 1 1 A 89 89 ILE H H 89 8.450 8.614 -0.164 1
1 1043 . 9 1 1 A 89 89 ILE HA H 89 4.913 4.936 -0.023 1
1 1053 . 9 1 1 A 89 89 ILE C C 89 174.770 175.893 -1.123 1
1 1054 . 9 1 1 A 89 89 ILE CA C 89 60.472 60.588 -0.116 1
1 1055 . 9 1 1 A 89 89 ILE CB C 89 43.167 38.622 4.545 1
1 1059 . 9 1 1 A 89 89 ILE N N 89 118.943 125.292 -6.349 1
1 1060 . 9 1 1 A 90 90 GLU H H 90 9.071 8.558 0.513 1
1 1061 . 9 1 1 A 90 90 GLU HA H 90 4.558 4.863 -0.305 1
1 1066 . 9 1 1 A 90 90 GLU C C 90 173.981 174.470 -0.489 1
1 1067 . 9 1 1 A 90 90 GLU CA C 90 54.831 55.963 -1.132 1
1 1068 . 9 1 1 A 90 90 GLU CB C 90 35.052 33.640 1.412 1
1 1070 . 9 1 1 A 90 90 GLU N N 90 124.044 125.822 -1.778 1
1 1071 . 9 1 1 A 91 91 VAL H H 91 8.564 8.439 0.125 1
1 1072 . 9 1 1 A 91 91 VAL HA H 91 4.968 5.187 -0.219 1
1 1080 . 9 1 1 A 91 91 VAL C C 91 174.488 175.109 -0.621 1
1 1081 . 9 1 1 A 91 91 VAL CA C 91 60.525 60.460 0.065 1
1 1082 . 9 1 1 A 91 91 VAL CB C 91 34.308 34.053 0.255 1
1 1085 . 9 1 1 A 91 91 VAL N N 91 121.165 126.920 -5.755 1
1 1086 . 9 1 1 A 92 92 GLY H H 92 8.941 8.540 0.401 1
1 1087 . 9 1 1 A 92 92 GLY HA2 H 92 4.571 4.268 0.303 1
1 1088 . 9 1 1 A 92 92 GLY HA3 H 92 3.581 4.269 -0.688 1
1 1089 . 9 1 1 A 92 92 GLY C C 92 171.577 172.124 -0.547 1
1 1090 . 9 1 1 A 92 92 GLY CA C 92 43.640 44.589 -0.949 1
1 1091 . 9 1 1 A 92 92 GLY N N 92 112.251 114.833 -2.582 1
1 1092 . 9 1 1 A 93 93 ALA H H 93 10.001 8.646 1.355 1
1 1093 . 9 1 1 A 93 93 ALA HA H 93 4.560 4.247 0.313 1
1 1097 . 9 1 1 A 93 93 ALA C C 93 176.786 176.639 0.147 1
1 1098 . 9 1 1 A 93 93 ALA CA C 93 51.060 51.866 -0.806 1
1 1099 . 9 1 1 A 93 93 ALA CB C 93 21.088 19.449 1.639 1
1 1100 . 9 1 1 A 93 93 ALA N N 93 126.200 127.069 -0.869 1
1 1101 . 9 1 1 A 94 94 CYS H H 94 8.739 8.767 -0.028 1
1 1102 . 9 1 1 A 94 94 CYS HA H 94 5.214 4.776 0.438 1
1 1105 . 9 1 1 A 94 94 CYS C C 94 174.087 173.388 0.699 1
1 1106 . 9 1 1 A 94 94 CYS CA C 94 57.088 57.906 -0.818 1
1 1107 . 9 1 1 A 94 94 CYS CB C 94 31.345 31.471 -0.126 1
1 1108 . 9 1 1 A 94 94 CYS N N 94 118.064 121.776 -3.712 1
1 1109 . 9 1 1 A 95 95 ASN H H 95 8.968 8.326 0.642 1
1 1110 . 9 1 1 A 95 95 ASN HA H 95 4.593 5.003 -0.410 1
1 1115 . 9 1 1 A 95 95 ASN C C 95 176.009 175.881 0.128 1
1 1116 . 9 1 1 A 95 95 ASN CA C 95 52.981 50.826 2.155 1
1 1117 . 9 1 1 A 95 95 ASN CB C 95 39.336 39.745 -0.409 1
1 1118 . 9 1 1 A 95 95 ASN N N 95 121.604 124.791 -3.187 1
1 1120 . 9 1 1 A 96 96 SER H H 96 8.483 8.957 -0.474 1
1 1121 . 9 1 1 A 96 96 SER HA H 96 4.085 4.062 0.023 1
1 1124 . 9 1 1 A 96 96 SER C C 96 174.700 176.502 -1.802 1
1 1125 . 9 1 1 A 96 96 SER CA C 96 61.600 61.513 0.087 1
1 1126 . 9 1 1 A 96 96 SER CB C 96 62.794 62.617 0.177 1
1 1127 . 9 1 1 A 96 96 SER N N 96 113.664 114.962 -1.298 1
1 1128 . 9 1 1 A 97 97 ALA H H 97 8.187 7.688 0.499 1
1 1129 . 9 1 1 A 97 97 ALA HA H 97 4.357 4.062 0.295 1
1 1133 . 9 1 1 A 97 97 ALA C C 97 177.600 177.188 0.412 1
1 1134 . 9 1 1 A 97 97 ALA CA C 97 52.681 55.069 -2.388 1
1 1135 . 9 1 1 A 97 97 ALA CB C 97 19.192 18.958 0.234 1
1 1136 . 9 1 1 A 97 97 ALA N N 97 123.374 122.112 1.262 1
1 1137 . 9 1 1 A 98 98 GLY H H 98 7.800 7.530 0.270 1
1 1138 . 9 1 1 A 98 98 GLY HA2 H 98 4.444 4.156 0.288 1
1 1139 . 9 1 1 A 98 98 GLY HA3 H 98 3.840 4.158 -0.318 1
1 1140 . 9 1 1 A 98 98 GLY C C 98 171.071 172.854 -1.783 1
1 1141 . 9 1 1 A 98 98 GLY CA C 98 44.809 43.827 0.982 1
1 1142 . 9 1 1 A 98 98 GLY N N 98 106.029 104.591 1.438 1
1 1143 . 9 1 1 A 99 99 CYS H H 99 8.399 8.543 -0.144 1
1 1144 . 9 1 1 A 99 99 CYS HA H 99 4.891 5.264 -0.373 1
1 1147 . 9 1 1 A 99 99 CYS C C 99 175.557 174.433 1.124 1
1 1148 . 9 1 1 A 99 99 CYS CA C 99 57.670 57.750 -0.080 1
1 1149 . 9 1 1 A 99 99 CYS CB C 99 29.469 29.453 0.016 1
1 1150 . 9 1 1 A 99 99 CYS N N 99 117.855 117.120 0.735 1
1 1151 . 9 1 1 A 100 100 GLY H H 100 8.930 8.835 0.095 1
1 1152 . 9 1 1 A 100 100 GLY HA2 H 100 4.282 4.189 0.093 1
1 1153 . 9 1 1 A 100 100 GLY HA3 H 100 3.764 4.202 -0.438 1
1 1154 . 9 1 1 A 100 100 GLY C C 100 170.974 172.892 -1.918 1
1 1155 . 9 1 1 A 100 100 GLY CA C 100 45.578 43.611 1.967 1
1 1156 . 9 1 1 A 100 100 GLY N N 100 113.025 110.758 2.267 1
1 1157 . 9 1 1 A 101 101 PRO HA H 101 4.616 4.606 0.010 1
1 1164 . 9 1 1 A 101 101 PRO CA C 101 60.598 62.186 -1.588 1
1 1165 . 9 1 1 A 101 101 PRO CB C 101 30.874 31.960 -1.086 1
1 1168 . 9 1 1 A 102 102 PRO HA H 102 4.659 4.558 0.101 1
1 1175 . 9 1 1 A 102 102 PRO C C 102 178.078 176.479 1.599 1
1 1176 . 9 1 1 A 102 102 PRO CA C 102 62.111 62.328 -0.217 1
1 1177 . 9 1 1 A 102 102 PRO CB C 102 32.383 32.306 0.077 1
1 1180 . 9 1 1 A 103 103 SER H H 103 8.732 8.454 0.278 1
1 1181 . 9 1 1 A 103 103 SER HA H 103 4.222 4.662 -0.440 1
1 1184 . 9 1 1 A 103 103 SER C C 103 173.155 174.188 -1.033 1
1 1185 . 9 1 1 A 103 103 SER CA C 103 58.321 57.123 1.198 1
1 1186 . 9 1 1 A 103 103 SER CB C 103 65.815 65.615 0.200 1
1 1187 . 9 1 1 A 103 103 SER N N 103 113.387 114.198 -0.811 1
1 1188 . 9 1 1 A 104 104 ASP H H 104 8.248 8.410 -0.162 1
1 1189 . 9 1 1 A 104 104 ASP HA H 104 4.472 4.616 -0.144 1
1 1192 . 9 1 1 A 104 104 ASP C C 104 176.703 175.764 0.939 1
1 1193 . 9 1 1 A 104 104 ASP CA C 104 55.573 54.424 1.149 1
1 1194 . 9 1 1 A 104 104 ASP CB C 104 40.583 41.945 -1.362 1
1 1195 . 9 1 1 A 104 104 ASP N N 104 119.021 121.492 -2.471 1
1 1196 . 9 1 1 A 105 105 MET H H 105 8.460 8.723 -0.263 1
1 1197 . 9 1 1 A 105 105 MET HA H 105 4.542 4.790 -0.248 1
1 1205 . 9 1 1 A 105 105 MET C C 105 175.687 175.190 0.497 1
1 1206 . 9 1 1 A 105 105 MET CA C 105 56.348 55.418 0.930 1
1 1207 . 9 1 1 A 105 105 MET CB C 105 33.610 32.971 0.639 1
1 1210 . 9 1 1 A 105 105 MET N N 105 124.915 124.365 0.550 1
1 1211 . 9 1 1 A 106 106 ILE H H 106 8.914 8.948 -0.034 1
1 1212 . 9 1 1 A 106 106 ILE HA H 106 4.571 4.999 -0.428 1
1 1222 . 9 1 1 A 106 106 ILE C C 106 173.498 175.913 -2.415 1
1 1223 . 9 1 1 A 106 106 ILE CA C 106 59.185 59.930 -0.745 1
1 1224 . 9 1 1 A 106 106 ILE CB C 106 40.786 40.866 -0.080 1
1 1228 . 9 1 1 A 106 106 ILE N N 106 126.141 127.422 -1.281 1
1 1229 . 9 1 1 A 107 107 GLU H H 107 7.999 9.066 -1.067 1
1 1230 . 9 1 1 A 107 107 GLU HA H 107 5.373 5.035 0.338 1
1 1235 . 9 1 1 A 107 107 GLU C C 107 175.263 175.283 -0.020 1
1 1236 . 9 1 1 A 107 107 GLU CA C 107 53.343 54.597 -1.254 1
1 1237 . 9 1 1 A 107 107 GLU CB C 107 32.951 33.150 -0.199 1
1 1239 . 9 1 1 A 107 107 GLU N N 107 121.346 122.818 -1.472 1
1 1240 . 9 1 1 A 108 108 ALA H H 108 8.685 8.909 -0.224 1
1 1241 . 9 1 1 A 108 108 ALA HA H 108 4.549 5.613 -1.064 1
1 1245 . 9 1 1 A 108 108 ALA C C 108 174.431 175.777 -1.346 1
1 1246 . 9 1 1 A 108 108 ALA CA C 108 51.113 50.093 1.020 1
1 1247 . 9 1 1 A 108 108 ALA CB C 108 23.724 23.084 0.640 1
1 1248 . 9 1 1 A 108 108 ALA N N 108 123.009 123.708 -0.699 1
1 1249 . 9 1 1 A 109 109 PHE H H 109 8.519 9.157 -0.638 1
1 1250 . 9 1 1 A 109 109 PHE HA H 109 5.481 5.087 0.394 1
1 1258 . 9 1 1 A 109 109 PHE C C 109 177.604 175.817 1.787 1
1 1259 . 9 1 1 A 109 109 PHE CA C 109 55.854 56.527 -0.673 1
1 1260 . 9 1 1 A 109 109 PHE CB C 109 41.019 40.777 0.242 1
1 1266 . 9 1 1 A 109 109 PHE N N 109 119.997 118.091 1.906 1
1 1267 . 9 1 1 A 110 110 THR H H 110 8.839 8.448 0.391 1
1 1268 . 9 1 1 A 110 110 THR HA H 110 4.103 4.512 -0.409 1
1 1273 . 9 1 1 A 110 110 THR C C 110 175.354 174.281 1.073 1
1 1274 . 9 1 1 A 110 110 THR CA C 110 61.763 61.446 0.317 1
1 1275 . 9 1 1 A 110 110 THR CB C 110 69.356 71.046 -1.690 1
1 1277 . 9 1 1 A 110 110 THR N N 110 112.067 116.863 -4.796 1
1 1278 . 9 1 1 A 111 111 LYS H H 111 6.542 8.333 -1.791 1
1 1279 . 9 1 1 A 111 111 LYS HA H 111 4.208 4.653 -0.445 1
1 1288 . 9 1 1 A 111 111 LYS C C 111 176.693 176.958 -0.265 1
1 1289 . 9 1 1 A 111 111 LYS CA C 111 56.383 54.641 1.742 1
1 1290 . 9 1 1 A 111 111 LYS CB C 111 33.447 33.823 -0.376 1
1 1294 . 9 1 1 A 111 111 LYS N N 111 116.497 120.911 -4.414 1
1 1295 . 9 1 1 A 112 112 LYS H H 112 8.230 8.727 -0.497 1
1 1296 . 9 1 1 A 112 112 LYS HA H 112 4.143 4.289 -0.146 1
1 1304 . 9 1 1 A 112 112 LYS C C 112 176.823 177.749 -0.926 1
1 1305 . 9 1 1 A 112 112 LYS CA C 112 57.229 56.733 0.496 1
1 1306 . 9 1 1 A 112 112 LYS CB C 112 33.528 32.674 0.854 1
1 1310 . 9 1 1 A 112 112 LYS N N 112 118.783 120.698 -1.915 1
1 1311 . 9 1 1 A 113 113 ALA H H 113 8.762 8.511 0.251 1
1 1312 . 9 1 1 A 113 113 ALA HA H 113 4.338 4.135 0.203 1
1 1316 . 9 1 1 A 113 113 ALA C C 113 177.688 177.466 0.222 1
1 1317 . 9 1 1 A 113 113 ALA CA C 113 52.417 54.846 -2.429 1
1 1318 . 9 1 1 A 113 113 ALA CB C 113 19.272 19.419 -0.147 1
1 1319 . 9 1 1 A 113 113 ALA N N 113 124.432 125.296 -0.864 1
1 1320 . 9 1 1 A 114 114 SER H H 114 8.386 8.003 0.383 1
1 1321 . 9 1 1 A 114 114 SER HA H 114 4.487 4.940 -0.453 1
1 1324 . 9 1 1 A 114 114 SER C C 114 174.474 173.520 0.954 1
1 1325 . 9 1 1 A 114 114 SER CA C 114 58.063 56.717 1.346 1
1 1326 . 9 1 1 A 114 114 SER CB C 114 64.012 66.077 -2.065 1
1 1327 . 9 1 1 A 114 114 SER N N 114 115.798 109.138 6.660 1
1 1328 . 9 1 1 A 115 115 GLY H H 115 8.278 8.241 0.037 1
1 1329 . 9 1 1 A 115 115 GLY HA2 H 115 4.172 4.146 0.026 1
1 1330 . 9 1 1 A 115 115 GLY HA3 H 115 4.094 4.147 -0.053 1
1 1331 . 9 1 1 A 115 115 GLY C C 115 171.799 174.252 -2.453 1
1 1332 . 9 1 1 A 115 115 GLY CA C 115 44.662 45.392 -0.730 1
1 1333 . 9 1 1 A 115 115 GLY N N 115 110.600 108.389 2.211 1
1 1334 . 9 1 1 A 116 116 PRO HA H 116 4.472 4.501 -0.029 1
1 1341 . 9 1 1 A 116 116 PRO C C 116 177.440 176.151 1.289 1
1 1342 . 9 1 1 A 116 116 PRO CA C 116 63.275 64.058 -0.783 1
1 1343 . 9 1 1 A 116 116 PRO CB C 116 32.169 31.727 0.442 1
1 1346 . 9 1 1 A 117 117 SER HA H 117 4.505 4.433 0.072 1
1 1348 . 9 1 1 A 117 117 SER C C 117 174.652 173.940 0.712 1
1 1349 . 9 1 1 A 117 117 SER CA C 117 58.393 58.527 -0.134 1
1 1350 . 9 1 1 A 117 117 SER CB C 117 63.899 63.966 -0.067 1
1 1351 . 9 1 1 A 117 117 SER N N 117 116.140 114.842 1.298 1
1 1352 . 9 1 1 A 118 118 SER H H 118 8.314 8.878 -0.564 1
1 1353 . 9 1 1 A 118 118 SER HA H 118 4.494 4.816 -0.322 1
1 1355 . 9 1 1 A 118 118 SER C C 118 173.938 173.566 0.372 1
1 1356 . 9 1 1 A 118 118 SER CA C 118 58.428 57.734 0.694 1
1 1357 . 9 1 1 A 118 118 SER CB C 118 63.929 66.999 -3.070 1
1 1358 . 9 1 1 A 118 118 SER N N 118 117.760 121.691 -3.931 1
1 6 . 10 1 1 A 4 4 GLY H H 4 8.507 8.510 -0.003 1
1 7 . 10 1 1 A 4 4 GLY HA2 H 4 4.513 4.145 0.368 1
1 8 . 10 1 1 A 4 4 GLY HA3 H 4 3.859 4.147 -0.288 1
1 9 . 10 1 1 A 4 4 GLY CA C 4 44.199 45.318 -1.119 1
1 10 . 10 1 1 A 4 4 GLY N N 4 116.148 113.108 3.040 1
1 11 . 10 1 1 A 6 6 SER HA H 6 4.472 5.113 -0.641 1
1 13 . 10 1 1 A 6 6 SER C C 6 174.998 173.811 1.187 1
1 14 . 10 1 1 A 6 6 SER CA C 6 58.657 56.068 2.589 1
1 15 . 10 1 1 A 6 6 SER CB C 6 64.025 65.352 -1.327 1
1 16 . 10 1 1 A 7 7 GLY H H 7 8.399 8.902 -0.503 1
1 17 . 10 1 1 A 7 7 GLY HA2 H 7 3.963 3.920 0.043 1
1 18 . 10 1 1 A 7 7 GLY HA3 H 7 3.963 3.921 0.042 1
1 19 . 10 1 1 A 7 7 GLY C C 7 173.942 174.846 -0.904 1
1 20 . 10 1 1 A 7 7 GLY CA C 7 45.332 47.256 -1.924 1
1 21 . 10 1 1 A 7 7 GLY N N 7 110.856 114.032 -3.176 1
1 22 . 10 1 1 A 8 8 VAL H H 8 7.919 8.140 -0.221 1
1 23 . 10 1 1 A 8 8 VAL HA H 8 4.101 3.615 0.486 1
1 31 . 10 1 1 A 8 8 VAL C C 8 175.827 176.787 -0.960 1
1 32 . 10 1 1 A 8 8 VAL CA C 8 61.987 65.769 -3.782 1
1 33 . 10 1 1 A 8 8 VAL CB C 8 32.786 31.872 0.914 1
1 36 . 10 1 1 A 8 8 VAL N N 8 119.305 119.877 -0.572 1
1 37 . 10 1 1 A 9 9 ALA H H 9 8.367 7.679 0.688 1
1 38 . 10 1 1 A 9 9 ALA HA H 9 4.329 4.288 0.041 1
1 42 . 10 1 1 A 9 9 ALA C C 9 177.422 177.551 -0.129 1
1 43 . 10 1 1 A 9 9 ALA CA C 9 52.399 51.377 1.022 1
1 44 . 10 1 1 A 9 9 ALA CB C 9 19.317 19.567 -0.250 1
1 45 . 10 1 1 A 9 9 ALA N N 9 128.175 123.221 4.954 1
1 46 . 10 1 1 A 10 10 VAL H H 10 8.154 8.654 -0.500 1
1 47 . 10 1 1 A 10 10 VAL HA H 10 4.046 3.999 0.047 1
1 55 . 10 1 1 A 10 10 VAL C C 10 176.076 177.526 -1.450 1
1 56 . 10 1 1 A 10 10 VAL CA C 10 62.288 63.095 -0.807 1
1 57 . 10 1 1 A 10 10 VAL CB C 10 32.786 32.169 0.617 1
1 60 . 10 1 1 A 10 10 VAL N N 10 120.641 123.878 -3.237 1
1 61 . 10 1 1 A 11 11 ILE H H 11 8.261 8.483 -0.222 1
1 62 . 10 1 1 A 11 11 ILE HA H 11 4.148 4.329 -0.181 1
1 72 . 10 1 1 A 11 11 ILE C C 11 175.857 176.976 -1.119 1
1 73 . 10 1 1 A 11 11 ILE CA C 11 60.842 61.243 -0.401 1
1 74 . 10 1 1 A 11 11 ILE CB C 11 38.776 37.731 1.045 1
1 78 . 10 1 1 A 11 11 ILE N N 11 125.253 122.771 2.482 1
1 79 . 10 1 1 A 12 12 ASN H H 12 8.575 7.702 0.873 1
1 80 . 10 1 1 A 12 12 ASN HA H 12 4.737 4.243 0.494 1
1 85 . 10 1 1 A 12 12 ASN C C 12 175.004 177.353 -2.349 1
1 86 . 10 1 1 A 12 12 ASN CA C 12 53.087 56.767 -3.680 1
1 87 . 10 1 1 A 12 12 ASN CB C 12 39.076 39.358 -0.282 1
1 88 . 10 1 1 A 12 12 ASN N N 12 123.538 121.860 1.678 1
1 90 . 10 1 1 A 13 13 SER H H 13 8.317 8.154 0.163 1
1 91 . 10 1 1 A 13 13 SER HA H 13 4.373 4.309 0.064 1
1 94 . 10 1 1 A 13 13 SER C C 13 174.118 174.259 -0.141 1
1 95 . 10 1 1 A 13 13 SER CA C 13 58.375 60.452 -2.077 1
1 96 . 10 1 1 A 13 13 SER CB C 13 63.866 62.800 1.066 1
1 97 . 10 1 1 A 13 13 SER N N 13 116.982 112.916 4.066 1
1 98 . 10 1 1 A 14 14 ALA H H 14 8.317 7.496 0.821 1
1 99 . 10 1 1 A 14 14 ALA HA H 14 4.285 4.431 -0.146 1
1 103 . 10 1 1 A 14 14 ALA C C 14 177.298 178.424 -1.126 1
1 104 . 10 1 1 A 14 14 ALA CA C 14 52.628 50.977 1.651 1
1 105 . 10 1 1 A 14 14 ALA CB C 14 19.192 20.243 -1.051 1
1 106 . 10 1 1 A 14 14 ALA N N 14 125.606 124.750 0.856 1
1 107 . 10 1 1 A 15 15 GLN H H 15 8.221 8.716 -0.495 1
1 108 . 10 1 1 A 15 15 GLN HA H 15 4.237 4.239 -0.002 1
1 115 . 10 1 1 A 15 15 GLN C C 15 174.741 175.250 -0.509 1
1 116 . 10 1 1 A 15 15 GLN CA C 15 55.925 58.107 -2.182 1
1 117 . 10 1 1 A 15 15 GLN CB C 15 29.990 28.779 1.211 1
1 119 . 10 1 1 A 15 15 GLN N N 15 119.248 119.912 -0.664 1
1 121 . 10 1 1 A 16 16 ASP H H 16 7.898 7.846 0.052 1
1 122 . 10 1 1 A 16 16 ASP HA H 16 4.714 5.022 -0.308 1
1 125 . 10 1 1 A 16 16 ASP C C 16 175.219 174.023 1.196 1
1 126 . 10 1 1 A 16 16 ASP CA C 16 53.387 53.180 0.207 1
1 127 . 10 1 1 A 16 16 ASP CB C 16 42.771 44.462 -1.691 1
1 128 . 10 1 1 A 16 16 ASP N N 16 119.674 118.473 1.201 1
1 129 . 10 1 1 A 17 17 ALA H H 17 8.256 8.361 -0.105 1
1 130 . 10 1 1 A 17 17 ALA HA H 17 4.549 4.761 -0.212 1
1 134 . 10 1 1 A 17 17 ALA C C 17 174.226 174.019 0.207 1
1 135 . 10 1 1 A 17 17 ALA CA C 17 50.514 49.949 0.565 1
1 136 . 10 1 1 A 17 17 ALA CB C 17 16.689 22.186 -5.497 1
1 137 . 10 1 1 A 17 17 ALA N N 17 123.830 122.927 0.903 1
1 138 . 10 1 1 A 18 18 PRO HA H 18 4.247 5.114 -0.867 1
1 145 . 10 1 1 A 18 18 PRO CA C 18 63.135 62.825 0.310 1
1 146 . 10 1 1 A 18 18 PRO CB C 18 31.866 31.987 -0.121 1
1 149 . 10 1 1 A 19 19 SER HA H 19 4.524 4.669 -0.145 1
1 152 . 10 1 1 A 19 19 SER C C 19 173.934 174.006 -0.072 1
1 153 . 10 1 1 A 19 19 SER CA C 19 58.657 58.604 0.053 1
1 154 . 10 1 1 A 19 19 SER CB C 19 65.246 64.923 0.323 1
1 155 . 10 1 1 A 20 20 GLU H H 20 7.589 7.637 -0.048 1
1 156 . 10 1 1 A 20 20 GLU HA H 20 4.604 4.860 -0.256 1
1 161 . 10 1 1 A 20 20 GLU C C 20 175.082 175.111 -0.029 1
1 162 . 10 1 1 A 20 20 GLU CA C 20 54.762 55.275 -0.513 1
1 163 . 10 1 1 A 20 20 GLU CB C 20 33.405 32.041 1.364 1
1 165 . 10 1 1 A 20 20 GLU N N 20 121.739 121.913 -0.174 1
1 166 . 10 1 1 A 21 21 ALA H H 21 8.564 8.846 -0.282 1
1 167 . 10 1 1 A 21 21 ALA HA H 21 4.995 4.946 0.049 1
1 171 . 10 1 1 A 21 21 ALA C C 21 175.731 175.795 -0.064 1
1 172 . 10 1 1 A 21 21 ALA CA C 21 49.341 49.867 -0.526 1
1 173 . 10 1 1 A 21 21 ALA CB C 21 19.388 19.924 -0.536 1
1 174 . 10 1 1 A 21 21 ALA N N 21 125.054 128.592 -3.538 1
1 175 . 10 1 1 A 22 22 PRO HA H 22 4.529 4.855 -0.326 1
1 182 . 10 1 1 A 22 22 PRO C C 22 174.830 177.146 -2.316 1
1 183 . 10 1 1 A 22 22 PRO CA C 22 63.076 62.800 0.276 1
1 184 . 10 1 1 A 22 22 PRO CB C 22 32.294 31.719 0.575 1
1 187 . 10 1 1 A 23 23 THR H H 23 7.442 8.545 -1.103 1
1 188 . 10 1 1 A 23 23 THR HA H 23 4.663 4.461 0.202 1
1 193 . 10 1 1 A 23 23 THR C C 23 172.878 174.846 -1.968 1
1 194 . 10 1 1 A 23 23 THR CA C 23 59.961 61.868 -1.907 1
1 195 . 10 1 1 A 23 23 THR CB C 23 72.337 69.683 2.654 1
1 197 . 10 1 1 A 23 23 THR N N 23 109.039 117.380 -8.341 1
1 198 . 10 1 1 A 24 24 GLU H H 24 8.782 8.944 -0.162 1
1 199 . 10 1 1 A 24 24 GLU HA H 24 3.911 3.852 0.059 1
1 204 . 10 1 1 A 24 24 GLU C C 24 175.816 174.770 1.046 1
1 205 . 10 1 1 A 24 24 GLU CA C 24 56.172 57.190 -1.018 1
1 206 . 10 1 1 A 24 24 GLU CB C 24 27.761 27.898 -0.137 1
1 208 . 10 1 1 A 24 24 GLU N N 24 115.227 119.377 -4.150 1
1 209 . 10 1 1 A 25 25 VAL H H 25 8.030 7.968 0.062 1
1 210 . 10 1 1 A 25 25 VAL HA H 25 4.891 4.803 0.088 1
1 218 . 10 1 1 A 25 25 VAL C C 25 177.065 174.866 2.199 1
1 219 . 10 1 1 A 25 25 VAL CA C 25 62.446 61.472 0.974 1
1 220 . 10 1 1 A 25 25 VAL CB C 25 31.471 32.926 -1.455 1
1 223 . 10 1 1 A 25 25 VAL N N 25 119.529 118.822 0.707 1
1 224 . 10 1 1 A 26 26 GLY H H 26 8.796 8.645 0.151 1
1 225 . 10 1 1 A 26 26 GLY HA2 H 26 4.420 4.479 -0.059 1
1 226 . 10 1 1 A 26 26 GLY HA3 H 26 3.646 4.482 -0.836 1
1 227 . 10 1 1 A 26 26 GLY C C 26 170.874 173.501 -2.627 1
1 228 . 10 1 1 A 26 26 GLY CA C 26 44.468 44.244 0.224 1
1 229 . 10 1 1 A 26 26 GLY N N 26 114.560 115.639 -1.079 1
1 230 . 10 1 1 A 27 27 VAL H H 27 8.332 8.808 -0.476 1
1 231 . 10 1 1 A 27 27 VAL HA H 27 5.508 5.138 0.370 1
1 239 . 10 1 1 A 27 27 VAL C C 27 175.652 173.787 1.865 1
1 240 . 10 1 1 A 27 27 VAL CA C 27 58.279 59.190 -0.911 1
1 241 . 10 1 1 A 27 27 VAL CB C 27 36.230 34.870 1.360 1
1 244 . 10 1 1 A 27 27 VAL N N 27 110.792 115.883 -5.091 1
1 245 . 10 1 1 A 28 28 LYS H H 28 9.143 9.445 -0.302 1
1 246 . 10 1 1 A 28 28 LYS HA H 28 4.550 5.123 -0.573 1
1 254 . 10 1 1 A 28 28 LYS C C 28 175.150 175.082 0.068 1
1 255 . 10 1 1 A 28 28 LYS CA C 28 55.396 54.611 0.785 1
1 256 . 10 1 1 A 28 28 LYS CB C 28 35.134 35.809 -0.675 1
1 260 . 10 1 1 A 28 28 LYS N N 28 123.314 123.715 -0.401 1
1 261 . 10 1 1 A 29 29 VAL H H 29 9.190 8.989 0.201 1
1 262 . 10 1 1 A 29 29 VAL HA H 29 3.939 4.008 -0.069 1
1 270 . 10 1 1 A 29 29 VAL C C 29 176.162 175.472 0.690 1
1 271 . 10 1 1 A 29 29 VAL CA C 29 64.332 63.361 0.971 1
1 272 . 10 1 1 A 29 29 VAL CB C 29 31.417 31.130 0.287 1
1 275 . 10 1 1 A 29 29 VAL N N 29 127.176 127.425 -0.249 1
1 276 . 10 1 1 A 30 30 LEU H H 30 8.108 8.750 -0.642 1
1 277 . 10 1 1 A 30 30 LEU HA H 30 4.375 4.314 0.061 1
1 287 . 10 1 1 A 30 30 LEU C C 30 177.477 176.368 1.109 1
1 288 . 10 1 1 A 30 30 LEU CA C 30 55.886 56.080 -0.194 1
1 289 . 10 1 1 A 30 30 LEU CB C 30 42.498 42.491 0.007 1
1 293 . 10 1 1 A 30 30 LEU N N 30 128.053 129.702 -1.649 1
1 294 . 10 1 1 A 31 31 SER H H 31 8.152 8.024 0.128 1
1 295 . 10 1 1 A 31 31 SER HA H 31 4.748 4.653 0.095 1
1 298 . 10 1 1 A 31 31 SER C C 31 173.427 174.131 -0.704 1
1 299 . 10 1 1 A 31 31 SER CA C 31 57.811 56.512 1.299 1
1 300 . 10 1 1 A 31 31 SER CB C 31 64.517 65.504 -0.987 1
1 301 . 10 1 1 A 31 31 SER N N 31 112.798 110.079 2.719 1
1 302 . 10 1 1 A 32 32 SER H H 32 8.450 8.335 0.115 1
1 303 . 10 1 1 A 32 32 SER HA H 32 4.604 4.177 0.427 1
1 306 . 10 1 1 A 32 32 SER C C 32 172.423 175.049 -2.626 1
1 307 . 10 1 1 A 32 32 SER CA C 32 59.414 61.278 -1.864 1
1 308 . 10 1 1 A 32 32 SER CB C 32 63.903 62.444 1.459 1
1 309 . 10 1 1 A 32 32 SER N N 32 112.687 118.873 -6.186 1
1 310 . 10 1 1 A 33 33 SER H H 33 8.355 7.787 0.568 1
1 311 . 10 1 1 A 33 33 SER HA H 33 4.759 4.617 0.142 1
1 314 . 10 1 1 A 33 33 SER C C 33 173.940 173.271 0.669 1
1 315 . 10 1 1 A 33 33 SER CA C 33 57.229 57.135 0.094 1
1 316 . 10 1 1 A 33 33 SER CB C 33 66.786 63.790 2.996 1
1 317 . 10 1 1 A 33 33 SER N N 33 109.767 111.316 -1.549 1
1 318 . 10 1 1 A 34 34 GLU H H 34 6.978 7.671 -0.693 1
1 319 . 10 1 1 A 34 34 GLU HA H 34 5.487 5.018 0.469 1
1 324 . 10 1 1 A 34 34 GLU C C 34 175.294 174.796 0.498 1
1 325 . 10 1 1 A 34 34 GLU CA C 34 55.130 54.785 0.345 1
1 326 . 10 1 1 A 34 34 GLU CB C 34 35.711 32.894 2.817 1
1 328 . 10 1 1 A 34 34 GLU N N 34 119.009 120.578 -1.569 1
1 329 . 10 1 1 A 35 35 ILE H H 35 8.190 8.493 -0.303 1
1 330 . 10 1 1 A 35 35 ILE HA H 35 4.477 4.816 -0.339 1
1 340 . 10 1 1 A 35 35 ILE C C 35 173.681 174.468 -0.787 1
1 341 . 10 1 1 A 35 35 ILE CA C 35 60.203 60.202 0.001 1
1 342 . 10 1 1 A 35 35 ILE CB C 35 43.791 41.408 2.383 1
1 346 . 10 1 1 A 35 35 ILE N N 35 120.691 124.460 -3.769 1
1 347 . 10 1 1 A 36 36 SER H H 36 9.269 8.782 0.487 1
1 348 . 10 1 1 A 36 36 SER HA H 36 5.300 5.367 -0.067 1
1 351 . 10 1 1 A 36 36 SER C C 36 172.945 173.185 -0.240 1
1 352 . 10 1 1 A 36 36 SER CA C 36 56.549 57.746 -1.197 1
1 353 . 10 1 1 A 36 36 SER CB C 36 64.591 64.688 -0.097 1
1 354 . 10 1 1 A 36 36 SER N N 36 120.471 124.971 -4.500 1
1 355 . 10 1 1 A 37 37 VAL H H 37 9.000 9.060 -0.060 1
1 356 . 10 1 1 A 37 37 VAL HA H 37 4.902 4.642 0.260 1
1 364 . 10 1 1 A 37 37 VAL C C 37 173.530 175.225 -1.695 1
1 365 . 10 1 1 A 37 37 VAL CA C 37 60.261 61.389 -1.128 1
1 366 . 10 1 1 A 37 37 VAL CB C 37 35.001 33.624 1.377 1
1 369 . 10 1 1 A 37 37 VAL N N 37 127.009 126.200 0.809 1
1 370 . 10 1 1 A 38 38 HIS H H 38 8.779 8.829 -0.050 1
1 371 . 10 1 1 A 38 38 HIS HA H 38 5.238 4.972 0.266 1
1 376 . 10 1 1 A 38 38 HIS C C 38 173.545 174.853 -1.308 1
1 377 . 10 1 1 A 38 38 HIS CA C 38 54.991 54.794 0.197 1
1 378 . 10 1 1 A 38 38 HIS CB C 38 32.564 32.341 0.223 1
1 381 . 10 1 1 A 38 38 HIS N N 38 123.115 125.354 -2.239 1
1 382 . 10 1 1 A 39 39 TRP H H 39 7.682 8.623 -0.941 1
1 383 . 10 1 1 A 39 39 TRP HA H 39 5.044 5.202 -0.158 1
1 392 . 10 1 1 A 39 39 TRP C C 39 173.585 172.925 0.660 1
1 393 . 10 1 1 A 39 39 TRP CA C 39 57.170 55.484 1.686 1
1 394 . 10 1 1 A 39 39 TRP CB C 39 31.554 31.570 -0.016 1
1 400 . 10 1 1 A 39 39 TRP N N 39 116.447 119.186 -2.739 1
1 402 . 10 1 1 A 40 40 GLU H H 40 8.522 8.531 -0.009 1
1 403 . 10 1 1 A 40 40 GLU HA H 40 4.619 4.815 -0.196 1
1 408 . 10 1 1 A 40 40 GLU C C 40 177.186 176.814 0.372 1
1 409 . 10 1 1 A 40 40 GLU CA C 40 54.356 55.397 -1.041 1
1 410 . 10 1 1 A 40 40 GLU CB C 40 30.344 31.662 -1.318 1
1 412 . 10 1 1 A 40 40 GLU N N 40 117.208 121.096 -3.888 1
1 413 . 10 1 1 A 41 41 HIS H H 41 8.477 8.736 -0.259 1
1 414 . 10 1 1 A 41 41 HIS HA H 41 4.748 4.512 0.236 1
1 419 . 10 1 1 A 41 41 HIS C C 41 177.474 175.859 1.615 1
1 420 . 10 1 1 A 41 41 HIS CA C 41 54.779 57.616 -2.837 1
1 421 . 10 1 1 A 41 41 HIS CB C 41 31.140 30.471 0.669 1
1 424 . 10 1 1 A 41 41 HIS N N 41 119.083 124.837 -5.754 1
1 425 . 10 1 1 A 42 42 VAL H H 42 7.680 8.503 -0.823 1
1 426 . 10 1 1 A 42 42 VAL HA H 42 4.428 4.434 -0.006 1
1 434 . 10 1 1 A 42 42 VAL C C 42 175.401 177.381 -1.980 1
1 435 . 10 1 1 A 42 42 VAL CA C 42 60.878 61.709 -0.831 1
1 436 . 10 1 1 A 42 42 VAL CB C 42 32.216 33.243 -1.027 1
1 439 . 10 1 1 A 42 42 VAL N N 42 114.975 123.360 -8.385 1
1 440 . 10 1 1 A 43 43 LEU H H 43 9.107 8.843 0.264 1
1 441 . 10 1 1 A 43 43 LEU HA H 43 4.303 4.072 0.231 1
1 451 . 10 1 1 A 43 43 LEU C C 43 178.603 177.517 1.086 1
1 452 . 10 1 1 A 43 43 LEU CA C 43 55.872 57.508 -1.636 1
1 453 . 10 1 1 A 43 43 LEU CB C 43 41.684 41.540 0.144 1
1 457 . 10 1 1 A 43 43 LEU N N 43 123.877 123.076 0.801 1
1 458 . 10 1 1 A 44 44 GLU H H 44 7.988 7.769 0.219 1
1 459 . 10 1 1 A 44 44 GLU HA H 44 4.152 4.534 -0.382 1
1 464 . 10 1 1 A 44 44 GLU C C 44 177.236 176.422 0.814 1
1 465 . 10 1 1 A 44 44 GLU CA C 44 57.282 55.533 1.749 1
1 466 . 10 1 1 A 44 44 GLU CB C 44 31.033 28.536 2.497 1
1 468 . 10 1 1 A 44 44 GLU N N 44 119.655 120.403 -0.748 1
1 469 . 10 1 1 A 45 45 LYS H H 45 8.596 8.342 0.254 1
1 470 . 10 1 1 A 45 45 LYS HA H 45 4.295 4.094 0.201 1
1 479 . 10 1 1 A 45 45 LYS C C 45 177.258 178.852 -1.594 1
1 480 . 10 1 1 A 45 45 LYS CA C 45 57.170 58.221 -1.051 1
1 481 . 10 1 1 A 45 45 LYS CB C 45 32.204 32.440 -0.236 1
1 485 . 10 1 1 A 45 45 LYS N N 45 120.518 126.605 -6.087 1
1 486 . 10 1 1 A 46 46 ILE H H 46 7.212 7.764 -0.552 1
1 487 . 10 1 1 A 46 46 ILE HA H 46 4.371 4.016 0.355 1
1 497 . 10 1 1 A 46 46 ILE C C 46 175.191 176.253 -1.062 1
1 498 . 10 1 1 A 46 46 ILE CA C 46 60.666 64.012 -3.346 1
1 499 . 10 1 1 A 46 46 ILE CB C 46 37.531 37.182 0.349 1
1 503 . 10 1 1 A 46 46 ILE N N 46 111.434 113.733 -2.299 1
1 504 . 10 1 1 A 47 47 VAL H H 47 7.378 6.862 0.516 1
1 505 . 10 1 1 A 47 47 VAL HA H 47 3.658 3.896 -0.238 1
1 513 . 10 1 1 A 47 47 VAL C C 47 175.157 176.170 -1.013 1
1 514 . 10 1 1 A 47 47 VAL CA C 47 63.521 62.301 1.220 1
1 515 . 10 1 1 A 47 47 VAL CB C 47 33.570 31.815 1.755 1
1 518 . 10 1 1 A 47 47 VAL N N 47 122.780 121.871 0.909 1
1 519 . 10 1 1 A 48 48 GLU H H 48 8.733 8.808 -0.075 1
1 520 . 10 1 1 A 48 48 GLU HA H 48 4.615 4.027 0.588 1
1 525 . 10 1 1 A 48 48 GLU C C 48 176.241 176.609 -0.368 1
1 526 . 10 1 1 A 48 48 GLU CA C 48 56.701 59.487 -2.786 1
1 527 . 10 1 1 A 48 48 GLU CB C 48 32.966 30.193 2.773 1
1 529 . 10 1 1 A 48 48 GLU N N 48 124.835 126.817 -1.982 1
1 530 . 10 1 1 A 49 49 SER H H 49 8.130 7.153 0.977 1
1 531 . 10 1 1 A 49 49 SER HA H 49 4.726 4.549 0.177 1
1 534 . 10 1 1 A 49 49 SER C C 49 171.371 171.461 -0.090 1
1 535 . 10 1 1 A 49 49 SER CA C 49 57.440 57.205 0.235 1
1 536 . 10 1 1 A 49 49 SER CB C 49 66.073 65.260 0.813 1
1 537 . 10 1 1 A 49 49 SER N N 49 114.231 110.651 3.580 1
1 538 . 10 1 1 A 50 50 TYR H H 50 8.681 8.954 -0.273 1
1 539 . 10 1 1 A 50 50 TYR HA H 50 5.057 5.298 -0.241 1
1 546 . 10 1 1 A 50 50 TYR C C 50 174.034 174.723 -0.689 1
1 547 . 10 1 1 A 50 50 TYR CA C 50 57.434 56.595 0.839 1
1 548 . 10 1 1 A 50 50 TYR CB C 50 41.437 39.401 2.036 1
1 553 . 10 1 1 A 50 50 TYR N N 50 115.301 121.040 -5.739 1
1 554 . 10 1 1 A 51 51 GLN H H 51 9.200 8.997 0.203 1
1 555 . 10 1 1 A 51 51 GLN HA H 51 5.144 4.704 0.440 1
1 562 . 10 1 1 A 51 51 GLN C C 51 173.878 174.823 -0.945 1
1 563 . 10 1 1 A 51 51 GLN CA C 51 53.669 55.492 -1.823 1
1 564 . 10 1 1 A 51 51 GLN CB C 51 32.783 29.988 2.795 1
1 566 . 10 1 1 A 51 51 GLN N N 51 119.842 124.521 -4.679 1
1 568 . 10 1 1 A 52 52 ILE H H 52 9.441 9.387 0.054 1
1 569 . 10 1 1 A 52 52 ILE HA H 52 4.803 4.848 -0.045 1
1 579 . 10 1 1 A 52 52 ILE C C 52 174.953 174.478 0.475 1
1 580 . 10 1 1 A 52 52 ILE CA C 52 61.054 60.436 0.618 1
1 581 . 10 1 1 A 52 52 ILE CB C 52 39.108 38.599 0.509 1
1 585 . 10 1 1 A 52 52 ILE N N 52 128.547 128.361 0.186 1
1 586 . 10 1 1 A 53 53 ARG H H 53 9.169 9.180 -0.011 1
1 587 . 10 1 1 A 53 53 ARG HA H 53 5.628 5.286 0.342 1
1 594 . 10 1 1 A 53 53 ARG C C 53 174.869 175.393 -0.524 1
1 595 . 10 1 1 A 53 53 ARG CA C 53 54.479 55.136 -0.657 1
1 596 . 10 1 1 A 53 53 ARG CB C 53 33.942 31.813 2.129 1
1 599 . 10 1 1 A 53 53 ARG N N 53 127.779 129.537 -1.758 1
1 600 . 10 1 1 A 54 54 TYR H H 54 8.671 9.154 -0.483 1
1 601 . 10 1 1 A 54 54 TYR HA H 54 6.310 6.115 0.195 1
1 608 . 10 1 1 A 54 54 TYR C C 54 173.965 173.951 0.014 1
1 609 . 10 1 1 A 54 54 TYR CA C 54 55.291 56.381 -1.090 1
1 610 . 10 1 1 A 54 54 TYR CB C 54 41.930 42.140 -0.210 1
1 615 . 10 1 1 A 54 54 TYR N N 54 117.929 121.266 -3.337 1
1 616 . 10 1 1 A 55 55 TRP H H 55 8.928 8.901 0.027 1
1 617 . 10 1 1 A 55 55 TRP HA H 55 5.054 5.322 -0.268 1
1 626 . 10 1 1 A 55 55 TRP C C 55 172.613 174.523 -1.910 1
1 627 . 10 1 1 A 55 55 TRP CA C 55 56.577 56.240 0.337 1
1 628 . 10 1 1 A 55 55 TRP CB C 55 32.118 31.941 0.177 1
1 634 . 10 1 1 A 55 55 TRP N N 55 121.459 118.942 2.517 1
1 636 . 10 1 1 A 56 56 ALA H H 56 8.870 8.117 0.753 1
1 637 . 10 1 1 A 56 56 ALA HA H 56 4.053 3.567 0.486 1
1 641 . 10 1 1 A 56 56 ALA C C 56 179.868 178.189 1.679 1
1 642 . 10 1 1 A 56 56 ALA CA C 56 50.478 51.993 -1.515 1
1 643 . 10 1 1 A 56 56 ALA CB C 56 19.108 18.561 0.547 1
1 644 . 10 1 1 A 56 56 ALA N N 56 124.214 123.343 0.871 1
1 645 . 10 1 1 A 57 57 ALA H H 57 8.147 8.411 -0.264 1
1 646 . 10 1 1 A 57 57 ALA HA H 57 3.913 4.058 -0.145 1
1 650 . 10 1 1 A 57 57 ALA C C 57 178.479 179.668 -1.189 1
1 651 . 10 1 1 A 57 57 ALA CA C 57 54.832 55.431 -0.599 1
1 652 . 10 1 1 A 57 57 ALA CB C 57 19.317 18.314 1.003 1
1 653 . 10 1 1 A 57 57 ALA N N 57 120.999 125.084 -4.085 1
1 654 . 10 1 1 A 58 58 HIS H H 58 7.274 7.511 -0.237 1
1 655 . 10 1 1 A 58 58 HIS HA H 58 4.605 4.459 0.146 1
1 660 . 10 1 1 A 58 58 HIS C C 58 175.349 175.553 -0.204 1
1 661 . 10 1 1 A 58 58 HIS CA C 58 56.066 57.981 -1.915 1
1 662 . 10 1 1 A 58 58 HIS CB C 58 29.780 29.169 0.611 1
1 665 . 10 1 1 A 58 58 HIS N N 58 109.961 113.704 -3.743 1
1 666 . 10 1 1 A 59 59 ASP H H 59 7.945 7.585 0.360 1
1 667 . 10 1 1 A 59 59 ASP HA H 59 4.869 4.769 0.100 1
1 670 . 10 1 1 A 59 59 ASP C C 59 175.895 175.719 0.176 1
1 671 . 10 1 1 A 59 59 ASP CA C 59 53.898 54.499 -0.601 1
1 672 . 10 1 1 A 59 59 ASP CB C 59 42.385 41.833 0.552 1
1 673 . 10 1 1 A 59 59 ASP N N 59 123.825 121.201 2.624 1
1 674 . 10 1 1 A 60 60 LYS H H 60 8.147 8.618 -0.471 1
1 675 . 10 1 1 A 60 60 LYS HA H 60 4.197 4.638 -0.441 1
1 682 . 10 1 1 A 60 60 LYS C C 60 177.212 177.691 -0.479 1
1 683 . 10 1 1 A 60 60 LYS CA C 60 56.121 54.689 1.432 1
1 684 . 10 1 1 A 60 60 LYS CB C 60 32.951 34.459 -1.508 1
1 688 . 10 1 1 A 60 60 LYS N N 60 117.803 120.631 -2.828 1
1 689 . 10 1 1 A 61 61 GLU H H 61 8.381 8.655 -0.274 1
1 690 . 10 1 1 A 61 61 GLU HA H 61 2.603 3.177 -0.574 1
1 695 . 10 1 1 A 61 61 GLU C C 61 178.058 177.896 0.162 1
1 696 . 10 1 1 A 61 61 GLU CA C 61 58.622 58.755 -0.133 1
1 697 . 10 1 1 A 61 61 GLU CB C 61 28.709 28.960 -0.251 1
1 699 . 10 1 1 A 61 61 GLU N N 61 122.310 121.750 0.560 1
1 700 . 10 1 1 A 62 62 GLU H H 62 8.470 8.730 -0.260 1
1 701 . 10 1 1 A 62 62 GLU HA H 62 3.919 4.000 -0.081 1
1 706 . 10 1 1 A 62 62 GLU C C 62 176.293 177.425 -1.132 1
1 707 . 10 1 1 A 62 62 GLU CA C 62 57.899 59.193 -1.294 1
1 708 . 10 1 1 A 62 62 GLU CB C 62 28.796 29.027 -0.231 1
1 710 . 10 1 1 A 62 62 GLU N N 62 117.600 117.757 -0.157 1
1 711 . 10 1 1 A 63 63 ALA H H 63 7.760 7.099 0.661 1
1 712 . 10 1 1 A 63 63 ALA HA H 63 4.443 4.387 0.056 1
1 716 . 10 1 1 A 63 63 ALA C C 63 176.867 176.977 -0.110 1
1 717 . 10 1 1 A 63 63 ALA CA C 63 51.095 51.359 -0.264 1
1 718 . 10 1 1 A 63 63 ALA CB C 63 18.845 18.970 -0.125 1
1 719 . 10 1 1 A 63 63 ALA N N 63 123.067 120.752 2.315 1
1 720 . 10 1 1 A 64 64 ALA H H 64 7.389 7.152 0.237 1
1 721 . 10 1 1 A 64 64 ALA HA H 64 4.175 4.296 -0.121 1
1 725 . 10 1 1 A 64 64 ALA C C 64 177.784 177.443 0.341 1
1 726 . 10 1 1 A 64 64 ALA CA C 64 53.099 52.142 0.957 1
1 727 . 10 1 1 A 64 64 ALA CB C 64 19.784 18.998 0.786 1
1 728 . 10 1 1 A 64 64 ALA N N 64 121.409 121.318 0.091 1
1 729 . 10 1 1 A 65 65 ASN H H 65 8.152 8.015 0.137 1
1 730 . 10 1 1 A 65 65 ASN HA H 65 4.714 5.095 -0.381 1
1 735 . 10 1 1 A 65 65 ASN C C 65 173.533 174.890 -1.357 1
1 736 . 10 1 1 A 65 65 ASN CA C 65 52.523 52.775 -0.252 1
1 737 . 10 1 1 A 65 65 ASN CB C 65 40.739 40.019 0.720 1
1 738 . 10 1 1 A 65 65 ASN N N 65 119.620 119.944 -0.324 1
1 740 . 10 1 1 A 66 66 ARG H H 66 8.366 9.050 -0.684 1
1 741 . 10 1 1 A 66 66 ARG HA H 66 5.760 5.466 0.294 1
1 748 . 10 1 1 A 66 66 ARG C C 66 175.946 174.605 1.341 1
1 749 . 10 1 1 A 66 66 ARG CA C 66 54.902 54.350 0.552 1
1 750 . 10 1 1 A 66 66 ARG CB C 66 34.116 33.783 0.333 1
1 753 . 10 1 1 A 66 66 ARG N N 66 116.911 119.117 -2.206 1
1 754 . 10 1 1 A 67 67 VAL H H 67 9.057 9.006 0.051 1
1 755 . 10 1 1 A 67 67 VAL HA H 67 4.520 4.788 -0.268 1
1 763 . 10 1 1 A 67 67 VAL C C 67 173.731 175.361 -1.630 1
1 764 . 10 1 1 A 67 67 VAL CA C 67 60.845 61.051 -0.206 1
1 765 . 10 1 1 A 67 67 VAL CB C 67 35.917 35.261 0.656 1
1 768 . 10 1 1 A 67 67 VAL N N 67 122.047 121.149 0.898 1
1 769 . 10 1 1 A 68 68 GLN H H 68 8.741 8.718 0.023 1
1 770 . 10 1 1 A 68 68 GLN HA H 68 5.543 5.324 0.219 1
1 777 . 10 1 1 A 68 68 GLN C C 68 175.452 175.337 0.115 1
1 778 . 10 1 1 A 68 68 GLN CA C 68 54.462 54.292 0.170 1
1 779 . 10 1 1 A 68 68 GLN CB C 68 32.087 30.975 1.112 1
1 781 . 10 1 1 A 68 68 GLN N N 68 124.250 125.581 -1.331 1
1 783 . 10 1 1 A 69 69 VAL H H 69 8.912 8.910 0.002 1
1 784 . 10 1 1 A 69 69 VAL HA H 69 5.012 4.820 0.192 1
1 792 . 10 1 1 A 69 69 VAL C C 69 175.870 174.811 1.059 1
1 793 . 10 1 1 A 69 69 VAL CA C 69 59.045 59.382 -0.337 1
1 794 . 10 1 1 A 69 69 VAL CB C 69 35.106 36.306 -1.200 1
1 797 . 10 1 1 A 69 69 VAL N N 69 117.045 113.536 3.509 1
1 798 . 10 1 1 A 70 70 THR H H 70 8.491 8.599 -0.108 1
1 799 . 10 1 1 A 70 70 THR HA H 70 4.585 4.409 0.176 1
1 804 . 10 1 1 A 70 70 THR C C 70 175.015 176.126 -1.111 1
1 805 . 10 1 1 A 70 70 THR CA C 70 62.917 62.340 0.577 1
1 806 . 10 1 1 A 70 70 THR CB C 70 70.767 69.967 0.800 1
1 808 . 10 1 1 A 70 70 THR N N 70 111.495 114.188 -2.693 1
1 809 . 10 1 1 A 71 71 SER H H 71 7.522 9.096 -1.574 1
1 810 . 10 1 1 A 71 71 SER HA H 71 4.148 4.474 -0.326 1
1 813 . 10 1 1 A 71 71 SER C C 71 174.340 175.481 -1.141 1
1 814 . 10 1 1 A 71 71 SER CA C 71 59.749 61.343 -1.594 1
1 815 . 10 1 1 A 71 71 SER CB C 71 63.060 62.875 0.185 1
1 816 . 10 1 1 A 71 71 SER N N 71 111.553 117.730 -6.177 1
1 817 . 10 1 1 A 72 72 GLN H H 72 7.718 7.811 -0.093 1
1 818 . 10 1 1 A 72 72 GLN HA H 72 4.428 4.525 -0.097 1
1 823 . 10 1 1 A 72 72 GLN C C 72 176.456 176.530 -0.074 1
1 824 . 10 1 1 A 72 72 GLN CA C 72 56.630 56.619 0.011 1
1 825 . 10 1 1 A 72 72 GLN CB C 72 29.373 29.495 -0.122 1
1 827 . 10 1 1 A 72 72 GLN N N 72 117.502 119.369 -1.867 1
1 829 . 10 1 1 A 73 73 GLU H H 73 7.650 8.037 -0.387 1
1 830 . 10 1 1 A 73 73 GLU HA H 73 4.408 4.549 -0.141 1
1 835 . 10 1 1 A 73 73 GLU C C 73 176.484 175.923 0.561 1
1 836 . 10 1 1 A 73 73 GLU CA C 73 56.472 55.848 0.624 1
1 837 . 10 1 1 A 73 73 GLU CB C 73 31.962 30.166 1.796 1
1 839 . 10 1 1 A 73 73 GLU N N 73 119.175 120.243 -1.068 1
1 840 . 10 1 1 A 74 74 TYR H H 74 8.615 8.952 -0.337 1
1 841 . 10 1 1 A 74 74 TYR HA H 74 3.427 4.190 -0.763 1
1 848 . 10 1 1 A 74 74 TYR C C 74 171.853 175.008 -3.155 1
1 849 . 10 1 1 A 74 74 TYR CA C 74 56.565 59.380 -2.815 1
1 850 . 10 1 1 A 74 74 TYR CB C 74 39.410 37.918 1.492 1
1 855 . 10 1 1 A 74 74 TYR N N 74 118.997 124.450 -5.453 1
1 856 . 10 1 1 A 75 75 SER H H 75 6.801 7.438 -0.637 1
1 857 . 10 1 1 A 75 75 SER HA H 75 5.001 4.328 0.673 1
1 860 . 10 1 1 A 75 75 SER C C 75 172.976 171.882 1.094 1
1 861 . 10 1 1 A 75 75 SER CA C 75 56.154 57.314 -1.160 1
1 862 . 10 1 1 A 75 75 SER CB C 75 66.541 67.204 -0.663 1
1 863 . 10 1 1 A 75 75 SER N N 75 109.803 113.068 -3.265 1
1 864 . 10 1 1 A 76 76 ALA H H 76 8.897 8.988 -0.091 1
1 865 . 10 1 1 A 76 76 ALA HA H 76 4.604 5.329 -0.725 1
1 869 . 10 1 1 A 76 76 ALA C C 76 174.777 175.195 -0.418 1
1 870 . 10 1 1 A 76 76 ALA CA C 76 51.359 50.510 0.849 1
1 871 . 10 1 1 A 76 76 ALA CB C 76 23.140 24.053 -0.913 1
1 872 . 10 1 1 A 76 76 ALA N N 76 120.416 124.238 -3.822 1
1 873 . 10 1 1 A 77 77 ARG H H 77 8.529 8.722 -0.193 1
1 874 . 10 1 1 A 77 77 ARG HA H 77 4.681 5.084 -0.403 1
1 881 . 10 1 1 A 77 77 ARG C C 77 174.533 174.218 0.315 1
1 882 . 10 1 1 A 77 77 ARG CA C 77 54.973 54.301 0.672 1
1 883 . 10 1 1 A 77 77 ARG CB C 77 31.839 34.107 -2.268 1
1 886 . 10 1 1 A 77 77 ARG N N 77 121.172 120.443 0.729 1
1 887 . 10 1 1 A 78 78 LEU H H 78 9.089 8.945 0.144 1
1 888 . 10 1 1 A 78 78 LEU HA H 78 4.396 5.111 -0.715 1
1 898 . 10 1 1 A 78 78 LEU C C 78 175.107 175.428 -0.321 1
1 899 . 10 1 1 A 78 78 LEU CA C 78 53.333 53.146 0.187 1
1 900 . 10 1 1 A 78 78 LEU CB C 78 41.272 45.365 -4.093 1
1 904 . 10 1 1 A 78 78 LEU N N 78 126.698 127.078 -0.380 1
1 905 . 10 1 1 A 79 79 GLU H H 79 8.239 8.646 -0.407 1
1 906 . 10 1 1 A 79 79 GLU HA H 79 5.034 5.050 -0.016 1
1 911 . 10 1 1 A 79 79 GLU C C 79 174.792 175.516 -0.724 1
1 912 . 10 1 1 A 79 79 GLU CA C 79 54.056 54.496 -0.440 1
1 913 . 10 1 1 A 79 79 GLU CB C 79 33.692 33.293 0.399 1
1 915 . 10 1 1 A 79 79 GLU N N 79 119.147 121.094 -1.947 1
1 916 . 10 1 1 A 80 80 ASN H H 80 9.068 8.683 0.385 1
1 917 . 10 1 1 A 80 80 ASN HA H 80 4.303 4.311 -0.008 1
1 922 . 10 1 1 A 80 80 ASN C C 80 174.823 174.226 0.597 1
1 923 . 10 1 1 A 80 80 ASN CA C 80 54.462 54.156 0.306 1
1 924 . 10 1 1 A 80 80 ASN CB C 80 37.359 37.112 0.247 1
1 925 . 10 1 1 A 80 80 ASN N N 80 113.324 116.377 -3.053 1
1 927 . 10 1 1 A 81 81 LEU H H 81 8.671 7.540 1.131 1
1 928 . 10 1 1 A 81 81 LEU HA H 81 4.252 4.589 -0.337 1
1 938 . 10 1 1 A 81 81 LEU C C 81 175.804 175.656 0.148 1
1 939 . 10 1 1 A 81 81 LEU CA C 81 53.841 53.082 0.759 1
1 940 . 10 1 1 A 81 81 LEU CB C 81 40.891 43.204 -2.313 1
1 944 . 10 1 1 A 81 81 LEU N N 81 117.886 118.381 -0.495 1
1 945 . 10 1 1 A 82 82 LEU H H 82 8.448 8.669 -0.221 1
1 946 . 10 1 1 A 82 82 LEU HA H 82 4.600 4.829 -0.229 1
1 956 . 10 1 1 A 82 82 LEU C C 82 175.149 174.847 0.302 1
1 957 . 10 1 1 A 82 82 LEU CA C 82 52.629 51.921 0.708 1
1 958 . 10 1 1 A 82 82 LEU CB C 82 42.449 43.051 -0.602 1
1 962 . 10 1 1 A 82 82 LEU N N 82 121.118 122.029 -0.911 1
1 963 . 10 1 1 A 83 83 PRO HA H 83 5.237 4.373 0.864 1
1 970 . 10 1 1 A 83 83 PRO C C 83 178.145 177.220 0.925 1
1 971 . 10 1 1 A 83 83 PRO CA C 83 62.472 63.518 -1.046 1
1 972 . 10 1 1 A 83 83 PRO CB C 83 33.232 31.840 1.392 1
1 975 . 10 1 1 A 84 84 ASP H H 84 7.943 8.991 -1.048 1
1 976 . 10 1 1 A 84 84 ASP HA H 84 4.208 4.641 -0.433 1
1 979 . 10 1 1 A 84 84 ASP C C 84 174.476 174.744 -0.268 1
1 980 . 10 1 1 A 84 84 ASP CA C 84 54.250 55.150 -0.900 1
1 981 . 10 1 1 A 84 84 ASP CB C 84 41.568 39.619 1.949 1
1 982 . 10 1 1 A 84 84 ASP N N 84 126.496 121.769 4.727 1
1 983 . 10 1 1 A 85 85 THR H H 85 8.261 7.927 0.334 1
1 984 . 10 1 1 A 85 85 THR HA H 85 4.381 4.681 -0.300 1
1 989 . 10 1 1 A 85 85 THR C C 85 170.639 172.578 -1.939 1
1 990 . 10 1 1 A 85 85 THR CA C 85 62.951 61.252 1.699 1
1 991 . 10 1 1 A 85 85 THR CB C 85 72.217 71.627 0.590 1
1 993 . 10 1 1 A 85 85 THR N N 85 114.015 112.937 1.078 1
1 994 . 10 1 1 A 86 86 GLN H H 86 8.221 8.496 -0.275 1
1 995 . 10 1 1 A 86 86 GLN HA H 86 3.664 3.971 -0.307 1
1 1002 . 10 1 1 A 86 86 GLN C C 86 172.890 174.031 -1.141 1
1 1003 . 10 1 1 A 86 86 GLN CA C 86 54.585 54.670 -0.085 1
1 1004 . 10 1 1 A 86 86 GLN CB C 86 28.836 28.640 0.196 1
1 1006 . 10 1 1 A 86 86 GLN N N 86 127.039 126.227 0.812 1
1 1008 . 10 1 1 A 87 87 TYR H H 87 8.976 8.542 0.434 1
1 1009 . 10 1 1 A 87 87 TYR HA H 87 4.583 4.683 -0.100 1
1 1016 . 10 1 1 A 87 87 TYR C C 87 173.534 174.863 -1.329 1
1 1017 . 10 1 1 A 87 87 TYR CA C 87 57.599 56.228 1.371 1
1 1018 . 10 1 1 A 87 87 TYR CB C 87 42.344 40.459 1.885 1
1 1023 . 10 1 1 A 87 87 TYR N N 87 126.060 125.747 0.313 1
1 1024 . 10 1 1 A 88 88 PHE H H 88 8.388 8.160 0.228 1
1 1025 . 10 1 1 A 88 88 PHE HA H 88 4.902 4.705 0.197 1
1 1033 . 10 1 1 A 88 88 PHE C C 88 175.238 174.940 0.298 1
1 1034 . 10 1 1 A 88 88 PHE CA C 88 55.872 57.485 -1.613 1
1 1035 . 10 1 1 A 88 88 PHE CB C 88 40.284 38.005 2.279 1
1 1041 . 10 1 1 A 88 88 PHE N N 88 118.991 122.806 -3.815 1
1 1042 . 10 1 1 A 89 89 ILE H H 89 8.450 8.924 -0.474 1
1 1043 . 10 1 1 A 89 89 ILE HA H 89 4.913 5.306 -0.393 1
1 1053 . 10 1 1 A 89 89 ILE C C 89 174.770 175.085 -0.315 1
1 1054 . 10 1 1 A 89 89 ILE CA C 89 60.472 59.958 0.514 1
1 1055 . 10 1 1 A 89 89 ILE CB C 89 43.167 39.748 3.419 1
1 1059 . 10 1 1 A 89 89 ILE N N 89 118.943 124.590 -5.647 1
1 1060 . 10 1 1 A 90 90 GLU H H 90 9.071 8.946 0.125 1
1 1061 . 10 1 1 A 90 90 GLU HA H 90 4.558 5.164 -0.606 1
1 1066 . 10 1 1 A 90 90 GLU C C 90 173.981 174.435 -0.454 1
1 1067 . 10 1 1 A 90 90 GLU CA C 90 54.831 54.804 0.027 1
1 1068 . 10 1 1 A 90 90 GLU CB C 90 35.052 33.429 1.623 1
1 1070 . 10 1 1 A 90 90 GLU N N 90 124.044 123.922 0.122 1
1 1071 . 10 1 1 A 91 91 VAL H H 91 8.564 8.866 -0.302 1
1 1072 . 10 1 1 A 91 91 VAL HA H 91 4.968 4.841 0.127 1
1 1080 . 10 1 1 A 91 91 VAL C C 91 174.488 175.203 -0.715 1
1 1081 . 10 1 1 A 91 91 VAL CA C 91 60.525 60.301 0.224 1
1 1082 . 10 1 1 A 91 91 VAL CB C 91 34.308 33.893 0.415 1
1 1085 . 10 1 1 A 91 91 VAL N N 91 121.165 124.869 -3.704 1
1 1086 . 10 1 1 A 92 92 GLY H H 92 8.941 8.500 0.441 1
1 1087 . 10 1 1 A 92 92 GLY HA2 H 92 4.571 4.292 0.279 1
1 1088 . 10 1 1 A 92 92 GLY HA3 H 92 3.581 4.294 -0.713 1
1 1089 . 10 1 1 A 92 92 GLY C C 92 171.577 171.574 0.003 1
1 1090 . 10 1 1 A 92 92 GLY CA C 92 43.640 44.691 -1.051 1
1 1091 . 10 1 1 A 92 92 GLY N N 92 112.251 113.935 -1.684 1
1 1092 . 10 1 1 A 93 93 ALA H H 93 10.001 8.965 1.036 1
1 1093 . 10 1 1 A 93 93 ALA HA H 93 4.560 4.955 -0.395 1
1 1097 . 10 1 1 A 93 93 ALA C C 93 176.786 176.284 0.502 1
1 1098 . 10 1 1 A 93 93 ALA CA C 93 51.060 50.422 0.638 1
1 1099 . 10 1 1 A 93 93 ALA CB C 93 21.088 20.521 0.567 1
1 1100 . 10 1 1 A 93 93 ALA N N 93 126.200 126.022 0.178 1
1 1101 . 10 1 1 A 94 94 CYS H H 94 8.739 8.265 0.474 1
1 1102 . 10 1 1 A 94 94 CYS HA H 94 5.214 4.959 0.255 1
1 1105 . 10 1 1 A 94 94 CYS C C 94 174.087 173.077 1.010 1
1 1106 . 10 1 1 A 94 94 CYS CA C 94 57.088 56.905 0.183 1
1 1107 . 10 1 1 A 94 94 CYS CB C 94 31.345 31.291 0.054 1
1 1108 . 10 1 1 A 94 94 CYS N N 94 118.064 119.075 -1.011 1
1 1109 . 10 1 1 A 95 95 ASN H H 95 8.968 7.920 1.048 1
1 1110 . 10 1 1 A 95 95 ASN HA H 95 4.593 5.011 -0.418 1
1 1115 . 10 1 1 A 95 95 ASN C C 95 176.009 176.039 -0.030 1
1 1116 . 10 1 1 A 95 95 ASN CA C 95 52.981 51.012 1.969 1
1 1117 . 10 1 1 A 95 95 ASN CB C 95 39.336 40.454 -1.118 1
1 1118 . 10 1 1 A 95 95 ASN N N 95 121.604 120.178 1.426 1
1 1120 . 10 1 1 A 96 96 SER H H 96 8.483 8.933 -0.450 1
1 1121 . 10 1 1 A 96 96 SER HA H 96 4.085 4.061 0.024 1
1 1124 . 10 1 1 A 96 96 SER C C 96 174.700 176.202 -1.502 1
1 1125 . 10 1 1 A 96 96 SER CA C 96 61.600 61.274 0.326 1
1 1126 . 10 1 1 A 96 96 SER CB C 96 62.794 62.609 0.185 1
1 1127 . 10 1 1 A 96 96 SER N N 96 113.664 116.596 -2.932 1
1 1128 . 10 1 1 A 97 97 ALA H H 97 8.187 7.479 0.708 1
1 1129 . 10 1 1 A 97 97 ALA HA H 97 4.357 4.203 0.154 1
1 1133 . 10 1 1 A 97 97 ALA C C 97 177.600 176.654 0.946 1
1 1134 . 10 1 1 A 97 97 ALA CA C 97 52.681 54.985 -2.304 1
1 1135 . 10 1 1 A 97 97 ALA CB C 97 19.192 19.225 -0.033 1
1 1136 . 10 1 1 A 97 97 ALA N N 97 123.374 121.846 1.528 1
1 1137 . 10 1 1 A 98 98 GLY H H 98 7.800 7.928 -0.128 1
1 1138 . 10 1 1 A 98 98 GLY HA2 H 98 4.444 4.190 0.254 1
1 1139 . 10 1 1 A 98 98 GLY HA3 H 98 3.840 4.190 -0.350 1
1 1140 . 10 1 1 A 98 98 GLY C C 98 171.071 172.992 -1.921 1
1 1141 . 10 1 1 A 98 98 GLY CA C 98 44.809 43.960 0.849 1
1 1142 . 10 1 1 A 98 98 GLY N N 98 106.029 103.677 2.352 1
1 1143 . 10 1 1 A 99 99 CYS H H 99 8.399 8.594 -0.195 1
1 1144 . 10 1 1 A 99 99 CYS HA H 99 4.891 4.815 0.076 1
1 1147 . 10 1 1 A 99 99 CYS C C 99 175.557 174.817 0.740 1
1 1148 . 10 1 1 A 99 99 CYS CA C 99 57.670 58.523 -0.853 1
1 1149 . 10 1 1 A 99 99 CYS CB C 99 29.469 28.660 0.809 1
1 1150 . 10 1 1 A 99 99 CYS N N 99 117.855 117.609 0.246 1
1 1151 . 10 1 1 A 100 100 GLY H H 100 8.930 8.542 0.388 1
1 1152 . 10 1 1 A 100 100 GLY HA2 H 100 4.282 4.231 0.051 1
1 1153 . 10 1 1 A 100 100 GLY HA3 H 100 3.764 4.243 -0.479 1
1 1154 . 10 1 1 A 100 100 GLY C C 100 170.974 172.304 -1.330 1
1 1155 . 10 1 1 A 100 100 GLY CA C 100 45.578 43.789 1.789 1
1 1156 . 10 1 1 A 100 100 GLY N N 100 113.025 109.165 3.860 1
1 1157 . 10 1 1 A 101 101 PRO HA H 101 4.616 4.589 0.027 1
1 1164 . 10 1 1 A 101 101 PRO CA C 101 60.598 62.206 -1.608 1
1 1165 . 10 1 1 A 101 101 PRO CB C 101 30.874 32.053 -1.179 1
1 1168 . 10 1 1 A 102 102 PRO HA H 102 4.659 4.463 0.196 1
1 1175 . 10 1 1 A 102 102 PRO C C 102 178.078 176.995 1.083 1
1 1176 . 10 1 1 A 102 102 PRO CA C 102 62.111 62.722 -0.611 1
1 1177 . 10 1 1 A 102 102 PRO CB C 102 32.383 32.085 0.298 1
1 1180 . 10 1 1 A 103 103 SER H H 103 8.732 8.478 0.254 1
1 1181 . 10 1 1 A 103 103 SER HA H 103 4.222 4.596 -0.374 1
1 1184 . 10 1 1 A 103 103 SER C C 103 173.155 173.953 -0.798 1
1 1185 . 10 1 1 A 103 103 SER CA C 103 58.321 58.028 0.293 1
1 1186 . 10 1 1 A 103 103 SER CB C 103 65.815 65.026 0.789 1
1 1187 . 10 1 1 A 103 103 SER N N 103 113.387 114.728 -1.341 1
1 1188 . 10 1 1 A 104 104 ASP H H 104 8.248 8.180 0.068 1
1 1189 . 10 1 1 A 104 104 ASP HA H 104 4.472 4.632 -0.160 1
1 1192 . 10 1 1 A 104 104 ASP C C 104 176.703 175.907 0.796 1
1 1193 . 10 1 1 A 104 104 ASP CA C 104 55.573 54.402 1.171 1
1 1194 . 10 1 1 A 104 104 ASP CB C 104 40.583 41.889 -1.306 1
1 1195 . 10 1 1 A 104 104 ASP N N 104 119.021 122.280 -3.259 1
1 1196 . 10 1 1 A 105 105 MET H H 105 8.460 8.661 -0.201 1
1 1197 . 10 1 1 A 105 105 MET HA H 105 4.542 4.745 -0.203 1
1 1205 . 10 1 1 A 105 105 MET C C 105 175.687 174.923 0.764 1
1 1206 . 10 1 1 A 105 105 MET CA C 105 56.348 55.272 1.076 1
1 1207 . 10 1 1 A 105 105 MET CB C 105 33.610 32.735 0.875 1
1 1210 . 10 1 1 A 105 105 MET N N 105 124.915 124.081 0.834 1
1 1211 . 10 1 1 A 106 106 ILE H H 106 8.914 8.788 0.126 1
1 1212 . 10 1 1 A 106 106 ILE HA H 106 4.571 4.938 -0.367 1
1 1222 . 10 1 1 A 106 106 ILE C C 106 173.498 175.645 -2.147 1
1 1223 . 10 1 1 A 106 106 ILE CA C 106 59.185 60.055 -0.870 1
1 1224 . 10 1 1 A 106 106 ILE CB C 106 40.786 40.416 0.370 1
1 1228 . 10 1 1 A 106 106 ILE N N 106 126.141 127.548 -1.407 1
1 1229 . 10 1 1 A 107 107 GLU H H 107 7.999 8.962 -0.963 1
1 1230 . 10 1 1 A 107 107 GLU HA H 107 5.373 4.947 0.426 1
1 1235 . 10 1 1 A 107 107 GLU C C 107 175.263 175.474 -0.211 1
1 1236 . 10 1 1 A 107 107 GLU CA C 107 53.343 54.952 -1.609 1
1 1237 . 10 1 1 A 107 107 GLU CB C 107 32.951 31.990 0.961 1
1 1239 . 10 1 1 A 107 107 GLU N N 107 121.346 124.495 -3.149 1
1 1240 . 10 1 1 A 108 108 ALA H H 108 8.685 8.730 -0.045 1
1 1241 . 10 1 1 A 108 108 ALA HA H 108 4.549 5.670 -1.121 1
1 1245 . 10 1 1 A 108 108 ALA C C 108 174.431 175.581 -1.150 1
1 1246 . 10 1 1 A 108 108 ALA CA C 108 51.113 49.849 1.264 1
1 1247 . 10 1 1 A 108 108 ALA CB C 108 23.724 22.888 0.836 1
1 1248 . 10 1 1 A 108 108 ALA N N 108 123.009 125.107 -2.098 1
1 1249 . 10 1 1 A 109 109 PHE H H 109 8.519 9.153 -0.634 1
1 1250 . 10 1 1 A 109 109 PHE HA H 109 5.481 5.045 0.436 1
1 1258 . 10 1 1 A 109 109 PHE C C 109 177.604 175.755 1.849 1
1 1259 . 10 1 1 A 109 109 PHE CA C 109 55.854 56.601 -0.747 1
1 1260 . 10 1 1 A 109 109 PHE CB C 109 41.019 40.796 0.223 1
1 1266 . 10 1 1 A 109 109 PHE N N 109 119.997 118.366 1.631 1
1 1267 . 10 1 1 A 110 110 THR H H 110 8.839 8.507 0.332 1
1 1268 . 10 1 1 A 110 110 THR HA H 110 4.103 4.571 -0.468 1
1 1273 . 10 1 1 A 110 110 THR C C 110 175.354 174.459 0.895 1
1 1274 . 10 1 1 A 110 110 THR CA C 110 61.763 61.553 0.210 1
1 1275 . 10 1 1 A 110 110 THR CB C 110 69.356 70.639 -1.283 1
1 1277 . 10 1 1 A 110 110 THR N N 110 112.067 116.506 -4.439 1
1 1278 . 10 1 1 A 111 111 LYS H H 111 6.542 8.505 -1.963 1
1 1279 . 10 1 1 A 111 111 LYS HA H 111 4.208 4.454 -0.246 1
1 1288 . 10 1 1 A 111 111 LYS C C 111 176.693 176.792 -0.099 1
1 1289 . 10 1 1 A 111 111 LYS CA C 111 56.383 55.673 0.710 1
1 1290 . 10 1 1 A 111 111 LYS CB C 111 33.447 33.205 0.242 1
1 1294 . 10 1 1 A 111 111 LYS N N 111 116.497 121.724 -5.227 1
1 1295 . 10 1 1 A 112 112 LYS H H 112 8.230 8.674 -0.444 1
1 1296 . 10 1 1 A 112 112 LYS HA H 112 4.143 4.337 -0.194 1
1 1304 . 10 1 1 A 112 112 LYS C C 112 176.823 176.633 0.190 1
1 1305 . 10 1 1 A 112 112 LYS CA C 112 57.229 55.285 1.944 1
1 1306 . 10 1 1 A 112 112 LYS CB C 112 33.528 31.113 2.415 1
1 1310 . 10 1 1 A 112 112 LYS N N 112 118.783 121.096 -2.313 1
1 1311 . 10 1 1 A 113 113 ALA H H 113 8.762 8.620 0.142 1
1 1312 . 10 1 1 A 113 113 ALA HA H 113 4.338 3.812 0.526 1
1 1316 . 10 1 1 A 113 113 ALA C C 113 177.688 176.516 1.172 1
1 1317 . 10 1 1 A 113 113 ALA CA C 113 52.417 53.117 -0.700 1
1 1318 . 10 1 1 A 113 113 ALA CB C 113 19.272 17.492 1.780 1
1 1319 . 10 1 1 A 113 113 ALA N N 113 124.432 127.030 -2.598 1
1 1320 . 10 1 1 A 114 114 SER H H 114 8.386 7.887 0.499 1
1 1321 . 10 1 1 A 114 114 SER HA H 114 4.487 4.414 0.073 1
1 1324 . 10 1 1 A 114 114 SER C C 114 174.474 174.498 -0.024 1
1 1325 . 10 1 1 A 114 114 SER CA C 114 58.063 58.281 -0.218 1
1 1326 . 10 1 1 A 114 114 SER CB C 114 64.012 63.889 0.123 1
1 1327 . 10 1 1 A 114 114 SER N N 114 115.798 111.603 4.195 1
1 1328 . 10 1 1 A 115 115 GLY H H 115 8.278 8.694 -0.416 1
1 1329 . 10 1 1 A 115 115 GLY HA2 H 115 4.172 4.191 -0.019 1
1 1330 . 10 1 1 A 115 115 GLY HA3 H 115 4.094 4.192 -0.098 1
1 1331 . 10 1 1 A 115 115 GLY C C 115 171.799 173.080 -1.281 1
1 1332 . 10 1 1 A 115 115 GLY CA C 115 44.662 43.895 0.767 1
1 1333 . 10 1 1 A 115 115 GLY N N 115 110.600 114.186 -3.586 1
1 1334 . 10 1 1 A 116 116 PRO HA H 116 4.472 4.661 -0.189 1
1 1341 . 10 1 1 A 116 116 PRO C C 116 177.440 175.832 1.608 1
1 1342 . 10 1 1 A 116 116 PRO CA C 116 63.275 62.732 0.543 1
1 1343 . 10 1 1 A 116 116 PRO CB C 116 32.169 32.906 -0.737 1
1 1346 . 10 1 1 A 117 117 SER HA H 117 4.505 5.271 -0.766 1
1 1348 . 10 1 1 A 117 117 SER C C 117 174.652 173.131 1.521 1
1 1349 . 10 1 1 A 117 117 SER CA C 117 58.393 56.938 1.455 1
1 1350 . 10 1 1 A 117 117 SER CB C 117 63.899 65.934 -2.035 1
1 1351 . 10 1 1 A 117 117 SER N N 117 116.140 114.760 1.380 1
1 1352 . 10 1 1 A 118 118 SER H H 118 8.314 8.762 -0.448 1
1 1353 . 10 1 1 A 118 118 SER HA H 118 4.494 4.198 0.296 1
1 1355 . 10 1 1 A 118 118 SER C C 118 173.938 174.751 -0.813 1
1 1356 . 10 1 1 A 118 118 SER CA C 118 58.428 60.191 -1.763 1
1 1357 . 10 1 1 A 118 118 SER CB C 118 63.929 63.209 0.720 1
1 1358 . 10 1 1 A 118 118 SER N N 118 117.760 122.035 -4.275 1
1 6 . 11 1 1 A 4 4 GLY H H 4 8.507 8.416 0.091 1
1 7 . 11 1 1 A 4 4 GLY HA2 H 4 4.513 4.166 0.347 1
1 8 . 11 1 1 A 4 4 GLY HA3 H 4 3.859 4.167 -0.308 1
1 9 . 11 1 1 A 4 4 GLY CA C 4 44.199 45.817 -1.618 1
1 10 . 11 1 1 A 4 4 GLY N N 4 116.148 108.064 8.084 1
1 11 . 11 1 1 A 6 6 SER HA H 6 4.472 4.622 -0.150 1
1 13 . 11 1 1 A 6 6 SER C C 6 174.998 174.852 0.146 1
1 14 . 11 1 1 A 6 6 SER CA C 6 58.657 58.813 -0.156 1
1 15 . 11 1 1 A 6 6 SER CB C 6 64.025 63.132 0.893 1
1 16 . 11 1 1 A 7 7 GLY H H 7 8.399 8.850 -0.451 1
1 17 . 11 1 1 A 7 7 GLY HA2 H 7 3.963 3.877 0.086 1
1 18 . 11 1 1 A 7 7 GLY HA3 H 7 3.963 3.877 0.086 1
1 19 . 11 1 1 A 7 7 GLY C C 7 173.942 174.436 -0.494 1
1 20 . 11 1 1 A 7 7 GLY CA C 7 45.332 47.031 -1.699 1
1 21 . 11 1 1 A 7 7 GLY N N 7 110.856 113.271 -2.415 1
1 22 . 11 1 1 A 8 8 VAL H H 8 7.919 7.975 -0.056 1
1 23 . 11 1 1 A 8 8 VAL HA H 8 4.101 4.309 -0.208 1
1 31 . 11 1 1 A 8 8 VAL C C 8 175.827 175.402 0.425 1
1 32 . 11 1 1 A 8 8 VAL CA C 8 61.987 61.752 0.235 1
1 33 . 11 1 1 A 8 8 VAL CB C 8 32.786 32.405 0.381 1
1 36 . 11 1 1 A 8 8 VAL N N 8 119.305 119.677 -0.372 1
1 37 . 11 1 1 A 9 9 ALA H H 9 8.367 8.836 -0.469 1
1 38 . 11 1 1 A 9 9 ALA HA H 9 4.329 4.916 -0.587 1
1 42 . 11 1 1 A 9 9 ALA C C 9 177.422 175.840 1.582 1
1 43 . 11 1 1 A 9 9 ALA CA C 9 52.399 51.998 0.401 1
1 44 . 11 1 1 A 9 9 ALA CB C 9 19.317 21.861 -2.544 1
1 45 . 11 1 1 A 9 9 ALA N N 9 128.175 129.740 -1.565 1
1 46 . 11 1 1 A 10 10 VAL H H 10 8.154 8.732 -0.578 1
1 47 . 11 1 1 A 10 10 VAL HA H 10 4.046 4.374 -0.328 1
1 55 . 11 1 1 A 10 10 VAL C C 10 176.076 176.182 -0.106 1
1 56 . 11 1 1 A 10 10 VAL CA C 10 62.288 61.934 0.354 1
1 57 . 11 1 1 A 10 10 VAL CB C 10 32.786 32.234 0.552 1
1 60 . 11 1 1 A 10 10 VAL N N 10 120.641 122.462 -1.821 1
1 61 . 11 1 1 A 11 11 ILE H H 11 8.261 8.555 -0.294 1
1 62 . 11 1 1 A 11 11 ILE HA H 11 4.148 3.942 0.206 1
1 72 . 11 1 1 A 11 11 ILE C C 11 175.857 175.850 0.007 1
1 73 . 11 1 1 A 11 11 ILE CA C 11 60.842 62.556 -1.714 1
1 74 . 11 1 1 A 11 11 ILE CB C 11 38.776 37.390 1.386 1
1 78 . 11 1 1 A 11 11 ILE N N 11 125.253 128.304 -3.051 1
1 79 . 11 1 1 A 12 12 ASN H H 12 8.575 9.091 -0.516 1
1 80 . 11 1 1 A 12 12 ASN HA H 12 4.737 5.478 -0.741 1
1 85 . 11 1 1 A 12 12 ASN C C 12 175.004 173.564 1.440 1
1 86 . 11 1 1 A 12 12 ASN CA C 12 53.087 51.297 1.790 1
1 87 . 11 1 1 A 12 12 ASN CB C 12 39.076 43.094 -4.018 1
1 88 . 11 1 1 A 12 12 ASN N N 12 123.538 124.509 -0.971 1
1 90 . 11 1 1 A 13 13 SER H H 13 8.317 8.619 -0.302 1
1 91 . 11 1 1 A 13 13 SER HA H 13 4.373 5.121 -0.748 1
1 94 . 11 1 1 A 13 13 SER C C 13 174.118 172.971 1.147 1
1 95 . 11 1 1 A 13 13 SER CA C 13 58.375 57.633 0.742 1
1 96 . 11 1 1 A 13 13 SER CB C 13 63.866 67.095 -3.229 1
1 97 . 11 1 1 A 13 13 SER N N 13 116.982 115.866 1.116 1
1 98 . 11 1 1 A 14 14 ALA H H 14 8.317 8.147 0.170 1
1 99 . 11 1 1 A 14 14 ALA HA H 14 4.285 4.727 -0.442 1
1 103 . 11 1 1 A 14 14 ALA C C 14 177.298 177.335 -0.037 1
1 104 . 11 1 1 A 14 14 ALA CA C 14 52.628 51.625 1.003 1
1 105 . 11 1 1 A 14 14 ALA CB C 14 19.192 22.139 -2.947 1
1 106 . 11 1 1 A 14 14 ALA N N 14 125.606 122.872 2.734 1
1 107 . 11 1 1 A 15 15 GLN H H 15 8.221 8.847 -0.626 1
1 108 . 11 1 1 A 15 15 GLN HA H 15 4.237 4.153 0.084 1
1 115 . 11 1 1 A 15 15 GLN C C 15 174.741 175.152 -0.411 1
1 116 . 11 1 1 A 15 15 GLN CA C 15 55.925 58.685 -2.760 1
1 117 . 11 1 1 A 15 15 GLN CB C 15 29.990 28.281 1.709 1
1 119 . 11 1 1 A 15 15 GLN N N 15 119.248 119.349 -0.101 1
1 121 . 11 1 1 A 16 16 ASP H H 16 7.898 7.663 0.235 1
1 122 . 11 1 1 A 16 16 ASP HA H 16 4.714 4.965 -0.251 1
1 125 . 11 1 1 A 16 16 ASP C C 16 175.219 173.707 1.512 1
1 126 . 11 1 1 A 16 16 ASP CA C 16 53.387 53.581 -0.194 1
1 127 . 11 1 1 A 16 16 ASP CB C 16 42.771 43.874 -1.103 1
1 128 . 11 1 1 A 16 16 ASP N N 16 119.674 118.287 1.387 1
1 129 . 11 1 1 A 17 17 ALA H H 17 8.256 8.551 -0.295 1
1 130 . 11 1 1 A 17 17 ALA HA H 17 4.549 4.869 -0.320 1
1 134 . 11 1 1 A 17 17 ALA C C 17 174.226 174.295 -0.069 1
1 135 . 11 1 1 A 17 17 ALA CA C 17 50.514 49.711 0.803 1
1 136 . 11 1 1 A 17 17 ALA CB C 17 16.689 22.417 -5.728 1
1 137 . 11 1 1 A 17 17 ALA N N 17 123.830 123.056 0.774 1
1 138 . 11 1 1 A 18 18 PRO HA H 18 4.247 4.752 -0.505 1
1 145 . 11 1 1 A 18 18 PRO CA C 18 63.135 62.816 0.319 1
1 146 . 11 1 1 A 18 18 PRO CB C 18 31.866 32.051 -0.185 1
1 149 . 11 1 1 A 19 19 SER HA H 19 4.524 4.637 -0.113 1
1 152 . 11 1 1 A 19 19 SER C C 19 173.934 173.997 -0.063 1
1 153 . 11 1 1 A 19 19 SER CA C 19 58.657 58.621 0.036 1
1 154 . 11 1 1 A 19 19 SER CB C 19 65.246 64.826 0.420 1
1 155 . 11 1 1 A 20 20 GLU H H 20 7.589 7.694 -0.105 1
1 156 . 11 1 1 A 20 20 GLU HA H 20 4.604 4.876 -0.272 1
1 161 . 11 1 1 A 20 20 GLU C C 20 175.082 174.908 0.174 1
1 162 . 11 1 1 A 20 20 GLU CA C 20 54.762 55.556 -0.794 1
1 163 . 11 1 1 A 20 20 GLU CB C 20 33.405 32.055 1.350 1
1 165 . 11 1 1 A 20 20 GLU N N 20 121.739 122.273 -0.534 1
1 166 . 11 1 1 A 21 21 ALA H H 21 8.564 8.890 -0.326 1
1 167 . 11 1 1 A 21 21 ALA HA H 21 4.995 4.933 0.062 1
1 171 . 11 1 1 A 21 21 ALA C C 21 175.731 175.007 0.724 1
1 172 . 11 1 1 A 21 21 ALA CA C 21 49.341 49.499 -0.158 1
1 173 . 11 1 1 A 21 21 ALA CB C 21 19.388 21.364 -1.976 1
1 174 . 11 1 1 A 21 21 ALA N N 21 125.054 127.315 -2.261 1
1 175 . 11 1 1 A 22 22 PRO HA H 22 4.529 4.858 -0.329 1
1 182 . 11 1 1 A 22 22 PRO C C 22 174.830 176.550 -1.720 1
1 183 . 11 1 1 A 22 22 PRO CA C 22 63.076 62.822 0.254 1
1 184 . 11 1 1 A 22 22 PRO CB C 22 32.294 31.854 0.440 1
1 187 . 11 1 1 A 23 23 THR H H 23 7.442 8.422 -0.980 1
1 188 . 11 1 1 A 23 23 THR HA H 23 4.663 4.643 0.020 1
1 193 . 11 1 1 A 23 23 THR C C 23 172.878 174.613 -1.735 1
1 194 . 11 1 1 A 23 23 THR CA C 23 59.961 61.309 -1.348 1
1 195 . 11 1 1 A 23 23 THR CB C 23 72.337 70.519 1.818 1
1 197 . 11 1 1 A 23 23 THR N N 23 109.039 118.941 -9.902 1
1 198 . 11 1 1 A 24 24 GLU H H 24 8.782 8.910 -0.128 1
1 199 . 11 1 1 A 24 24 GLU HA H 24 3.911 3.853 0.058 1
1 204 . 11 1 1 A 24 24 GLU C C 24 175.816 174.702 1.114 1
1 205 . 11 1 1 A 24 24 GLU CA C 24 56.172 57.244 -1.072 1
1 206 . 11 1 1 A 24 24 GLU CB C 24 27.761 27.998 -0.237 1
1 208 . 11 1 1 A 24 24 GLU N N 24 115.227 119.102 -3.875 1
1 209 . 11 1 1 A 25 25 VAL H H 25 8.030 7.903 0.127 1
1 210 . 11 1 1 A 25 25 VAL HA H 25 4.891 4.824 0.067 1
1 218 . 11 1 1 A 25 25 VAL C C 25 177.065 175.167 1.898 1
1 219 . 11 1 1 A 25 25 VAL CA C 25 62.446 61.499 0.947 1
1 220 . 11 1 1 A 25 25 VAL CB C 25 31.471 33.020 -1.549 1
1 223 . 11 1 1 A 25 25 VAL N N 25 119.529 118.798 0.731 1
1 224 . 11 1 1 A 26 26 GLY H H 26 8.796 8.826 -0.030 1
1 225 . 11 1 1 A 26 26 GLY HA2 H 26 4.420 4.354 0.066 1
1 226 . 11 1 1 A 26 26 GLY HA3 H 26 3.646 4.362 -0.716 1
1 227 . 11 1 1 A 26 26 GLY C C 26 170.874 173.045 -2.171 1
1 228 . 11 1 1 A 26 26 GLY CA C 26 44.468 43.924 0.544 1
1 229 . 11 1 1 A 26 26 GLY N N 26 114.560 115.340 -0.780 1
1 230 . 11 1 1 A 27 27 VAL H H 27 8.332 8.927 -0.595 1
1 231 . 11 1 1 A 27 27 VAL HA H 27 5.508 5.133 0.375 1
1 239 . 11 1 1 A 27 27 VAL C C 27 175.652 174.068 1.584 1
1 240 . 11 1 1 A 27 27 VAL CA C 27 58.279 60.168 -1.889 1
1 241 . 11 1 1 A 27 27 VAL CB C 27 36.230 34.374 1.856 1
1 244 . 11 1 1 A 27 27 VAL N N 27 110.792 117.048 -6.256 1
1 245 . 11 1 1 A 28 28 LYS H H 28 9.143 9.562 -0.419 1
1 246 . 11 1 1 A 28 28 LYS HA H 28 4.550 4.919 -0.369 1
1 254 . 11 1 1 A 28 28 LYS C C 28 175.150 175.781 -0.631 1
1 255 . 11 1 1 A 28 28 LYS CA C 28 55.396 54.926 0.470 1
1 256 . 11 1 1 A 28 28 LYS CB C 28 35.134 34.222 0.912 1
1 260 . 11 1 1 A 28 28 LYS N N 28 123.314 126.363 -3.049 1
1 261 . 11 1 1 A 29 29 VAL H H 29 9.190 8.857 0.333 1
1 262 . 11 1 1 A 29 29 VAL HA H 29 3.939 4.148 -0.209 1
1 270 . 11 1 1 A 29 29 VAL C C 29 176.162 175.403 0.759 1
1 271 . 11 1 1 A 29 29 VAL CA C 29 64.332 62.837 1.495 1
1 272 . 11 1 1 A 29 29 VAL CB C 29 31.417 31.104 0.313 1
1 275 . 11 1 1 A 29 29 VAL N N 29 127.176 126.972 0.204 1
1 276 . 11 1 1 A 30 30 LEU H H 30 8.108 8.531 -0.423 1
1 277 . 11 1 1 A 30 30 LEU HA H 30 4.375 4.220 0.155 1
1 287 . 11 1 1 A 30 30 LEU C C 30 177.477 176.815 0.662 1
1 288 . 11 1 1 A 30 30 LEU CA C 30 55.886 56.598 -0.712 1
1 289 . 11 1 1 A 30 30 LEU CB C 30 42.498 42.740 -0.242 1
1 293 . 11 1 1 A 30 30 LEU N N 30 128.053 129.699 -1.646 1
1 294 . 11 1 1 A 31 31 SER H H 31 8.152 7.837 0.315 1
1 295 . 11 1 1 A 31 31 SER HA H 31 4.748 4.780 -0.032 1
1 298 . 11 1 1 A 31 31 SER C C 31 173.427 174.585 -1.158 1
1 299 . 11 1 1 A 31 31 SER CA C 31 57.811 57.281 0.530 1
1 300 . 11 1 1 A 31 31 SER CB C 31 64.517 66.973 -2.456 1
1 301 . 11 1 1 A 31 31 SER N N 31 112.798 111.948 0.850 1
1 302 . 11 1 1 A 32 32 SER H H 32 8.450 8.771 -0.321 1
1 303 . 11 1 1 A 32 32 SER HA H 32 4.604 4.188 0.416 1
1 306 . 11 1 1 A 32 32 SER C C 32 172.423 175.182 -2.759 1
1 307 . 11 1 1 A 32 32 SER CA C 32 59.414 61.235 -1.821 1
1 308 . 11 1 1 A 32 32 SER CB C 32 63.903 62.432 1.471 1
1 309 . 11 1 1 A 32 32 SER N N 32 112.687 118.228 -5.541 1
1 310 . 11 1 1 A 33 33 SER H H 33 8.355 7.954 0.401 1
1 311 . 11 1 1 A 33 33 SER HA H 33 4.759 4.653 0.106 1
1 314 . 11 1 1 A 33 33 SER C C 33 173.940 172.291 1.649 1
1 315 . 11 1 1 A 33 33 SER CA C 33 57.229 57.604 -0.375 1
1 316 . 11 1 1 A 33 33 SER CB C 33 66.786 63.899 2.887 1
1 317 . 11 1 1 A 33 33 SER N N 33 109.767 115.300 -5.533 1
1 318 . 11 1 1 A 34 34 GLU H H 34 6.978 7.782 -0.804 1
1 319 . 11 1 1 A 34 34 GLU HA H 34 5.487 5.094 0.393 1
1 324 . 11 1 1 A 34 34 GLU C C 34 175.294 174.844 0.450 1
1 325 . 11 1 1 A 34 34 GLU CA C 34 55.130 54.960 0.170 1
1 326 . 11 1 1 A 34 34 GLU CB C 34 35.711 33.682 2.029 1
1 328 . 11 1 1 A 34 34 GLU N N 34 119.009 117.788 1.221 1
1 329 . 11 1 1 A 35 35 ILE H H 35 8.190 8.349 -0.159 1
1 330 . 11 1 1 A 35 35 ILE HA H 35 4.477 4.830 -0.353 1
1 340 . 11 1 1 A 35 35 ILE C C 35 173.681 173.954 -0.273 1
1 341 . 11 1 1 A 35 35 ILE CA C 35 60.203 60.319 -0.116 1
1 342 . 11 1 1 A 35 35 ILE CB C 35 43.791 41.302 2.489 1
1 346 . 11 1 1 A 35 35 ILE N N 35 120.691 122.738 -2.047 1
1 347 . 11 1 1 A 36 36 SER H H 36 9.269 8.758 0.511 1
1 348 . 11 1 1 A 36 36 SER HA H 36 5.300 5.260 0.040 1
1 351 . 11 1 1 A 36 36 SER C C 36 172.945 173.504 -0.559 1
1 352 . 11 1 1 A 36 36 SER CA C 36 56.549 57.132 -0.583 1
1 353 . 11 1 1 A 36 36 SER CB C 36 64.591 64.229 0.362 1
1 354 . 11 1 1 A 36 36 SER N N 36 120.471 123.034 -2.563 1
1 355 . 11 1 1 A 37 37 VAL H H 37 9.000 9.124 -0.124 1
1 356 . 11 1 1 A 37 37 VAL HA H 37 4.902 4.590 0.312 1
1 364 . 11 1 1 A 37 37 VAL C C 37 173.530 175.158 -1.628 1
1 365 . 11 1 1 A 37 37 VAL CA C 37 60.261 61.464 -1.203 1
1 366 . 11 1 1 A 37 37 VAL CB C 37 35.001 33.111 1.890 1
1 369 . 11 1 1 A 37 37 VAL N N 37 127.009 127.061 -0.052 1
1 370 . 11 1 1 A 38 38 HIS H H 38 8.779 9.107 -0.328 1
1 371 . 11 1 1 A 38 38 HIS HA H 38 5.238 5.075 0.163 1
1 376 . 11 1 1 A 38 38 HIS C C 38 173.545 174.861 -1.316 1
1 377 . 11 1 1 A 38 38 HIS CA C 38 54.991 54.078 0.913 1
1 378 . 11 1 1 A 38 38 HIS CB C 38 32.564 31.971 0.593 1
1 381 . 11 1 1 A 38 38 HIS N N 38 123.115 125.233 -2.118 1
1 382 . 11 1 1 A 39 39 TRP H H 39 7.682 8.458 -0.776 1
1 383 . 11 1 1 A 39 39 TRP HA H 39 5.044 5.398 -0.354 1
1 392 . 11 1 1 A 39 39 TRP C C 39 173.585 172.796 0.789 1
1 393 . 11 1 1 A 39 39 TRP CA C 39 57.170 55.016 2.154 1
1 394 . 11 1 1 A 39 39 TRP CB C 39 31.554 32.103 -0.549 1
1 400 . 11 1 1 A 39 39 TRP N N 39 116.447 119.445 -2.998 1
1 402 . 11 1 1 A 40 40 GLU H H 40 8.522 8.990 -0.468 1
1 403 . 11 1 1 A 40 40 GLU HA H 40 4.619 4.754 -0.135 1
1 408 . 11 1 1 A 40 40 GLU C C 40 177.186 176.824 0.362 1
1 409 . 11 1 1 A 40 40 GLU CA C 40 54.356 55.347 -0.991 1
1 410 . 11 1 1 A 40 40 GLU CB C 40 30.344 31.080 -0.736 1
1 412 . 11 1 1 A 40 40 GLU N N 40 117.208 121.039 -3.831 1
1 413 . 11 1 1 A 41 41 HIS H H 41 8.477 8.978 -0.501 1
1 414 . 11 1 1 A 41 41 HIS HA H 41 4.748 4.898 -0.150 1
1 419 . 11 1 1 A 41 41 HIS C C 41 177.474 175.911 1.563 1
1 420 . 11 1 1 A 41 41 HIS CA C 41 54.779 56.469 -1.690 1
1 421 . 11 1 1 A 41 41 HIS CB C 41 31.140 30.638 0.502 1
1 424 . 11 1 1 A 41 41 HIS N N 41 119.083 124.169 -5.086 1
1 425 . 11 1 1 A 42 42 VAL H H 42 7.680 8.823 -1.143 1
1 426 . 11 1 1 A 42 42 VAL HA H 42 4.428 4.660 -0.232 1
1 434 . 11 1 1 A 42 42 VAL C C 42 175.401 177.289 -1.888 1
1 435 . 11 1 1 A 42 42 VAL CA C 42 60.878 61.750 -0.872 1
1 436 . 11 1 1 A 42 42 VAL CB C 42 32.216 33.299 -1.083 1
1 439 . 11 1 1 A 42 42 VAL N N 42 114.975 122.775 -7.800 1
1 440 . 11 1 1 A 43 43 LEU H H 43 9.107 8.845 0.262 1
1 441 . 11 1 1 A 43 43 LEU HA H 43 4.303 4.191 0.112 1
1 451 . 11 1 1 A 43 43 LEU C C 43 178.603 177.146 1.457 1
1 452 . 11 1 1 A 43 43 LEU CA C 43 55.872 57.220 -1.348 1
1 453 . 11 1 1 A 43 43 LEU CB C 43 41.684 41.863 -0.179 1
1 457 . 11 1 1 A 43 43 LEU N N 43 123.877 122.315 1.562 1
1 458 . 11 1 1 A 44 44 GLU H H 44 7.988 7.771 0.217 1
1 459 . 11 1 1 A 44 44 GLU HA H 44 4.152 4.531 -0.379 1
1 464 . 11 1 1 A 44 44 GLU C C 44 177.236 176.249 0.987 1
1 465 . 11 1 1 A 44 44 GLU CA C 44 57.282 56.048 1.234 1
1 466 . 11 1 1 A 44 44 GLU CB C 44 31.033 30.682 0.351 1
1 468 . 11 1 1 A 44 44 GLU N N 44 119.655 120.937 -1.282 1
1 469 . 11 1 1 A 45 45 LYS H H 45 8.596 8.749 -0.153 1
1 470 . 11 1 1 A 45 45 LYS HA H 45 4.295 4.412 -0.117 1
1 479 . 11 1 1 A 45 45 LYS C C 45 177.258 177.334 -0.076 1
1 480 . 11 1 1 A 45 45 LYS CA C 45 57.170 56.612 0.558 1
1 481 . 11 1 1 A 45 45 LYS CB C 45 32.204 32.249 -0.045 1
1 485 . 11 1 1 A 45 45 LYS N N 45 120.518 124.952 -4.434 1
1 486 . 11 1 1 A 46 46 ILE H H 46 7.212 7.757 -0.545 1
1 487 . 11 1 1 A 46 46 ILE HA H 46 4.371 4.031 0.340 1
1 497 . 11 1 1 A 46 46 ILE C C 46 175.191 176.251 -1.060 1
1 498 . 11 1 1 A 46 46 ILE CA C 46 60.666 63.842 -3.176 1
1 499 . 11 1 1 A 46 46 ILE CB C 46 37.531 37.437 0.094 1
1 503 . 11 1 1 A 46 46 ILE N N 46 111.434 114.553 -3.119 1
1 504 . 11 1 1 A 47 47 VAL H H 47 7.378 7.232 0.146 1
1 505 . 11 1 1 A 47 47 VAL HA H 47 3.658 3.902 -0.244 1
1 513 . 11 1 1 A 47 47 VAL C C 47 175.157 176.765 -1.608 1
1 514 . 11 1 1 A 47 47 VAL CA C 47 63.521 62.427 1.094 1
1 515 . 11 1 1 A 47 47 VAL CB C 47 33.570 31.785 1.785 1
1 518 . 11 1 1 A 47 47 VAL N N 47 122.780 121.276 1.504 1
1 519 . 11 1 1 A 48 48 GLU H H 48 8.733 8.539 0.194 1
1 520 . 11 1 1 A 48 48 GLU HA H 48 4.615 4.020 0.595 1
1 525 . 11 1 1 A 48 48 GLU C C 48 176.241 176.287 -0.046 1
1 526 . 11 1 1 A 48 48 GLU CA C 48 56.701 59.099 -2.398 1
1 527 . 11 1 1 A 48 48 GLU CB C 48 32.966 29.125 3.841 1
1 529 . 11 1 1 A 48 48 GLU N N 48 124.835 123.878 0.957 1
1 530 . 11 1 1 A 49 49 SER H H 49 8.130 7.596 0.534 1
1 531 . 11 1 1 A 49 49 SER HA H 49 4.726 4.420 0.306 1
1 534 . 11 1 1 A 49 49 SER C C 49 171.371 171.314 0.057 1
1 535 . 11 1 1 A 49 49 SER CA C 49 57.440 57.362 0.078 1
1 536 . 11 1 1 A 49 49 SER CB C 49 66.073 65.175 0.898 1
1 537 . 11 1 1 A 49 49 SER N N 49 114.231 111.721 2.510 1
1 538 . 11 1 1 A 50 50 TYR H H 50 8.681 8.841 -0.160 1
1 539 . 11 1 1 A 50 50 TYR HA H 50 5.057 5.114 -0.057 1
1 546 . 11 1 1 A 50 50 TYR C C 50 174.034 174.686 -0.652 1
1 547 . 11 1 1 A 50 50 TYR CA C 50 57.434 56.356 1.078 1
1 548 . 11 1 1 A 50 50 TYR CB C 50 41.437 39.221 2.216 1
1 553 . 11 1 1 A 50 50 TYR N N 50 115.301 120.403 -5.102 1
1 554 . 11 1 1 A 51 51 GLN H H 51 9.200 8.820 0.380 1
1 555 . 11 1 1 A 51 51 GLN HA H 51 5.144 4.722 0.422 1
1 562 . 11 1 1 A 51 51 GLN C C 51 173.878 174.916 -1.038 1
1 563 . 11 1 1 A 51 51 GLN CA C 51 53.669 55.360 -1.691 1
1 564 . 11 1 1 A 51 51 GLN CB C 51 32.783 30.258 2.525 1
1 566 . 11 1 1 A 51 51 GLN N N 51 119.842 124.890 -5.048 1
1 568 . 11 1 1 A 52 52 ILE H H 52 9.441 9.185 0.256 1
1 569 . 11 1 1 A 52 52 ILE HA H 52 4.803 4.811 -0.008 1
1 579 . 11 1 1 A 52 52 ILE C C 52 174.953 174.498 0.455 1
1 580 . 11 1 1 A 52 52 ILE CA C 52 61.054 60.561 0.493 1
1 581 . 11 1 1 A 52 52 ILE CB C 52 39.108 37.972 1.136 1
1 585 . 11 1 1 A 52 52 ILE N N 52 128.547 129.018 -0.471 1
1 586 . 11 1 1 A 53 53 ARG H H 53 9.169 8.593 0.576 1
1 587 . 11 1 1 A 53 53 ARG HA H 53 5.628 5.212 0.416 1
1 594 . 11 1 1 A 53 53 ARG C C 53 174.869 175.792 -0.923 1
1 595 . 11 1 1 A 53 53 ARG CA C 53 54.479 55.378 -0.899 1
1 596 . 11 1 1 A 53 53 ARG CB C 53 33.942 31.464 2.478 1
1 599 . 11 1 1 A 53 53 ARG N N 53 127.779 129.350 -1.571 1
1 600 . 11 1 1 A 54 54 TYR H H 54 8.671 8.671 0.000 1
1 601 . 11 1 1 A 54 54 TYR HA H 54 6.310 6.161 0.149 1
1 608 . 11 1 1 A 54 54 TYR C C 54 173.965 173.738 0.227 1
1 609 . 11 1 1 A 54 54 TYR CA C 54 55.291 56.003 -0.712 1
1 610 . 11 1 1 A 54 54 TYR CB C 54 41.930 42.786 -0.856 1
1 615 . 11 1 1 A 54 54 TYR N N 54 117.929 122.064 -4.135 1
1 616 . 11 1 1 A 55 55 TRP H H 55 8.928 8.863 0.065 1
1 617 . 11 1 1 A 55 55 TRP HA H 55 5.054 5.167 -0.113 1
1 626 . 11 1 1 A 55 55 TRP C C 55 172.613 174.154 -1.541 1
1 627 . 11 1 1 A 55 55 TRP CA C 55 56.577 56.168 0.409 1
1 628 . 11 1 1 A 55 55 TRP CB C 55 32.118 31.374 0.744 1
1 634 . 11 1 1 A 55 55 TRP N N 55 121.459 118.223 3.236 1
1 636 . 11 1 1 A 56 56 ALA H H 56 8.870 7.890 0.980 1
1 637 . 11 1 1 A 56 56 ALA HA H 56 4.053 3.750 0.303 1
1 641 . 11 1 1 A 56 56 ALA C C 56 179.868 178.234 1.634 1
1 642 . 11 1 1 A 56 56 ALA CA C 56 50.478 52.004 -1.526 1
1 643 . 11 1 1 A 56 56 ALA CB C 56 19.108 18.773 0.335 1
1 644 . 11 1 1 A 56 56 ALA N N 56 124.214 122.859 1.355 1
1 645 . 11 1 1 A 57 57 ALA H H 57 8.147 8.374 -0.227 1
1 646 . 11 1 1 A 57 57 ALA HA H 57 3.913 4.087 -0.174 1
1 650 . 11 1 1 A 57 57 ALA C C 57 178.479 179.578 -1.099 1
1 651 . 11 1 1 A 57 57 ALA CA C 57 54.832 55.391 -0.559 1
1 652 . 11 1 1 A 57 57 ALA CB C 57 19.317 18.300 1.017 1
1 653 . 11 1 1 A 57 57 ALA N N 57 120.999 124.963 -3.964 1
1 654 . 11 1 1 A 58 58 HIS H H 58 7.274 7.630 -0.356 1
1 655 . 11 1 1 A 58 58 HIS HA H 58 4.605 4.495 0.110 1
1 660 . 11 1 1 A 58 58 HIS C C 58 175.349 175.451 -0.102 1
1 661 . 11 1 1 A 58 58 HIS CA C 58 56.066 57.622 -1.556 1
1 662 . 11 1 1 A 58 58 HIS CB C 58 29.780 29.295 0.485 1
1 665 . 11 1 1 A 58 58 HIS N N 58 109.961 112.351 -2.390 1
1 666 . 11 1 1 A 59 59 ASP H H 59 7.945 7.051 0.894 1
1 667 . 11 1 1 A 59 59 ASP HA H 59 4.869 4.555 0.314 1
1 670 . 11 1 1 A 59 59 ASP C C 59 175.895 176.059 -0.164 1
1 671 . 11 1 1 A 59 59 ASP CA C 59 53.898 54.614 -0.716 1
1 672 . 11 1 1 A 59 59 ASP CB C 59 42.385 41.164 1.221 1
1 673 . 11 1 1 A 59 59 ASP N N 59 123.825 120.744 3.081 1
1 674 . 11 1 1 A 60 60 LYS H H 60 8.147 8.761 -0.614 1
1 675 . 11 1 1 A 60 60 LYS HA H 60 4.197 4.594 -0.397 1
1 682 . 11 1 1 A 60 60 LYS C C 60 177.212 178.022 -0.810 1
1 683 . 11 1 1 A 60 60 LYS CA C 60 56.121 54.779 1.342 1
1 684 . 11 1 1 A 60 60 LYS CB C 60 32.951 34.361 -1.410 1
1 688 . 11 1 1 A 60 60 LYS N N 60 117.803 121.756 -3.953 1
1 689 . 11 1 1 A 61 61 GLU H H 61 8.381 8.895 -0.514 1
1 690 . 11 1 1 A 61 61 GLU HA H 61 2.603 3.311 -0.708 1
1 695 . 11 1 1 A 61 61 GLU C C 61 178.058 178.091 -0.033 1
1 696 . 11 1 1 A 61 61 GLU CA C 61 58.622 58.977 -0.355 1
1 697 . 11 1 1 A 61 61 GLU CB C 61 28.709 28.954 -0.245 1
1 699 . 11 1 1 A 61 61 GLU N N 61 122.310 122.699 -0.389 1
1 700 . 11 1 1 A 62 62 GLU H H 62 8.470 8.581 -0.111 1
1 701 . 11 1 1 A 62 62 GLU HA H 62 3.919 3.983 -0.064 1
1 706 . 11 1 1 A 62 62 GLU C C 62 176.293 177.586 -1.293 1
1 707 . 11 1 1 A 62 62 GLU CA C 62 57.899 59.297 -1.398 1
1 708 . 11 1 1 A 62 62 GLU CB C 62 28.796 28.893 -0.097 1
1 710 . 11 1 1 A 62 62 GLU N N 62 117.600 117.001 0.599 1
1 711 . 11 1 1 A 63 63 ALA H H 63 7.760 7.398 0.362 1
1 712 . 11 1 1 A 63 63 ALA HA H 63 4.443 4.355 0.088 1
1 716 . 11 1 1 A 63 63 ALA C C 63 176.867 177.148 -0.281 1
1 717 . 11 1 1 A 63 63 ALA CA C 63 51.095 51.663 -0.568 1
1 718 . 11 1 1 A 63 63 ALA CB C 63 18.845 19.304 -0.459 1
1 719 . 11 1 1 A 63 63 ALA N N 63 123.067 120.388 2.679 1
1 720 . 11 1 1 A 64 64 ALA H H 64 7.389 7.291 0.098 1
1 721 . 11 1 1 A 64 64 ALA HA H 64 4.175 4.241 -0.066 1
1 725 . 11 1 1 A 64 64 ALA C C 64 177.784 177.260 0.524 1
1 726 . 11 1 1 A 64 64 ALA CA C 64 53.099 52.615 0.484 1
1 727 . 11 1 1 A 64 64 ALA CB C 64 19.784 18.977 0.807 1
1 728 . 11 1 1 A 64 64 ALA N N 64 121.409 122.402 -0.993 1
1 729 . 11 1 1 A 65 65 ASN H H 65 8.152 8.174 -0.022 1
1 730 . 11 1 1 A 65 65 ASN HA H 65 4.714 5.045 -0.331 1
1 735 . 11 1 1 A 65 65 ASN C C 65 173.533 174.108 -0.575 1
1 736 . 11 1 1 A 65 65 ASN CA C 65 52.523 52.589 -0.066 1
1 737 . 11 1 1 A 65 65 ASN CB C 65 40.739 39.413 1.326 1
1 738 . 11 1 1 A 65 65 ASN N N 65 119.620 119.564 0.056 1
1 740 . 11 1 1 A 66 66 ARG H H 66 8.366 8.893 -0.527 1
1 741 . 11 1 1 A 66 66 ARG HA H 66 5.760 5.535 0.225 1
1 748 . 11 1 1 A 66 66 ARG C C 66 175.946 174.183 1.763 1
1 749 . 11 1 1 A 66 66 ARG CA C 66 54.902 55.088 -0.186 1
1 750 . 11 1 1 A 66 66 ARG CB C 66 34.116 34.051 0.065 1
1 753 . 11 1 1 A 66 66 ARG N N 66 116.911 117.456 -0.545 1
1 754 . 11 1 1 A 67 67 VAL H H 67 9.057 9.238 -0.181 1
1 755 . 11 1 1 A 67 67 VAL HA H 67 4.520 4.797 -0.277 1
1 763 . 11 1 1 A 67 67 VAL C C 67 173.731 174.511 -0.780 1
1 764 . 11 1 1 A 67 67 VAL CA C 67 60.845 61.596 -0.751 1
1 765 . 11 1 1 A 67 67 VAL CB C 67 35.917 33.168 2.749 1
1 768 . 11 1 1 A 67 67 VAL N N 67 122.047 124.645 -2.598 1
1 769 . 11 1 1 A 68 68 GLN H H 68 8.741 9.123 -0.382 1
1 770 . 11 1 1 A 68 68 GLN HA H 68 5.543 5.198 0.345 1
1 777 . 11 1 1 A 68 68 GLN C C 68 175.452 175.198 0.254 1
1 778 . 11 1 1 A 68 68 GLN CA C 68 54.462 54.467 -0.005 1
1 779 . 11 1 1 A 68 68 GLN CB C 68 32.087 31.044 1.043 1
1 781 . 11 1 1 A 68 68 GLN N N 68 124.250 128.232 -3.982 1
1 783 . 11 1 1 A 69 69 VAL H H 69 8.912 8.961 -0.049 1
1 784 . 11 1 1 A 69 69 VAL HA H 69 5.012 4.889 0.123 1
1 792 . 11 1 1 A 69 69 VAL C C 69 175.870 174.774 1.096 1
1 793 . 11 1 1 A 69 69 VAL CA C 69 59.045 59.052 -0.007 1
1 794 . 11 1 1 A 69 69 VAL CB C 69 35.106 36.128 -1.022 1
1 797 . 11 1 1 A 69 69 VAL N N 69 117.045 119.014 -1.969 1
1 798 . 11 1 1 A 70 70 THR H H 70 8.491 8.581 -0.090 1
1 799 . 11 1 1 A 70 70 THR HA H 70 4.585 4.418 0.167 1
1 804 . 11 1 1 A 70 70 THR C C 70 175.015 176.166 -1.151 1
1 805 . 11 1 1 A 70 70 THR CA C 70 62.917 62.138 0.779 1
1 806 . 11 1 1 A 70 70 THR CB C 70 70.767 69.940 0.827 1
1 808 . 11 1 1 A 70 70 THR N N 70 111.495 114.263 -2.768 1
1 809 . 11 1 1 A 71 71 SER H H 71 7.522 9.140 -1.618 1
1 810 . 11 1 1 A 71 71 SER HA H 71 4.148 4.331 -0.183 1
1 813 . 11 1 1 A 71 71 SER C C 71 174.340 176.354 -2.014 1
1 814 . 11 1 1 A 71 71 SER CA C 71 59.749 61.468 -1.719 1
1 815 . 11 1 1 A 71 71 SER CB C 71 63.060 62.755 0.305 1
1 816 . 11 1 1 A 71 71 SER N N 71 111.553 118.028 -6.475 1
1 817 . 11 1 1 A 72 72 GLN H H 72 7.718 7.966 -0.248 1
1 818 . 11 1 1 A 72 72 GLN HA H 72 4.428 4.298 0.130 1
1 823 . 11 1 1 A 72 72 GLN C C 72 176.456 176.965 -0.509 1
1 824 . 11 1 1 A 72 72 GLN CA C 72 56.630 58.199 -1.569 1
1 825 . 11 1 1 A 72 72 GLN CB C 72 29.373 28.907 0.466 1
1 827 . 11 1 1 A 72 72 GLN N N 72 117.502 119.444 -1.942 1
1 829 . 11 1 1 A 73 73 GLU H H 73 7.650 7.893 -0.243 1
1 830 . 11 1 1 A 73 73 GLU HA H 73 4.408 4.501 -0.093 1
1 835 . 11 1 1 A 73 73 GLU C C 73 176.484 176.067 0.417 1
1 836 . 11 1 1 A 73 73 GLU CA C 73 56.472 56.338 0.134 1
1 837 . 11 1 1 A 73 73 GLU CB C 73 31.962 30.310 1.652 1
1 839 . 11 1 1 A 73 73 GLU N N 73 119.175 119.392 -0.217 1
1 840 . 11 1 1 A 74 74 TYR H H 74 8.615 8.829 -0.214 1
1 841 . 11 1 1 A 74 74 TYR HA H 74 3.427 4.010 -0.583 1
1 848 . 11 1 1 A 74 74 TYR C C 74 171.853 174.974 -3.121 1
1 849 . 11 1 1 A 74 74 TYR CA C 74 56.565 59.861 -3.296 1
1 850 . 11 1 1 A 74 74 TYR CB C 74 39.410 37.736 1.674 1
1 855 . 11 1 1 A 74 74 TYR N N 74 118.997 124.563 -5.566 1
1 856 . 11 1 1 A 75 75 SER H H 75 6.801 7.654 -0.853 1
1 857 . 11 1 1 A 75 75 SER HA H 75 5.001 3.955 1.046 1
1 860 . 11 1 1 A 75 75 SER C C 75 172.976 171.837 1.139 1
1 861 . 11 1 1 A 75 75 SER CA C 75 56.154 56.280 -0.126 1
1 862 . 11 1 1 A 75 75 SER CB C 75 66.541 66.191 0.350 1
1 863 . 11 1 1 A 75 75 SER N N 75 109.803 111.205 -1.402 1
1 864 . 11 1 1 A 76 76 ALA H H 76 8.897 8.705 0.192 1
1 865 . 11 1 1 A 76 76 ALA HA H 76 4.604 5.131 -0.527 1
1 869 . 11 1 1 A 76 76 ALA C C 76 174.777 175.321 -0.544 1
1 870 . 11 1 1 A 76 76 ALA CA C 76 51.359 50.827 0.532 1
1 871 . 11 1 1 A 76 76 ALA CB C 76 23.140 24.402 -1.262 1
1 872 . 11 1 1 A 76 76 ALA N N 76 120.416 122.554 -2.138 1
1 873 . 11 1 1 A 77 77 ARG H H 77 8.529 8.685 -0.156 1
1 874 . 11 1 1 A 77 77 ARG HA H 77 4.681 5.067 -0.386 1
1 881 . 11 1 1 A 77 77 ARG C C 77 174.533 173.991 0.542 1
1 882 . 11 1 1 A 77 77 ARG CA C 77 54.973 54.281 0.692 1
1 883 . 11 1 1 A 77 77 ARG CB C 77 31.839 33.962 -2.123 1
1 886 . 11 1 1 A 77 77 ARG N N 77 121.172 119.970 1.202 1
1 887 . 11 1 1 A 78 78 LEU H H 78 9.089 9.200 -0.111 1
1 888 . 11 1 1 A 78 78 LEU HA H 78 4.396 4.921 -0.525 1
1 898 . 11 1 1 A 78 78 LEU C C 78 175.107 175.777 -0.670 1
1 899 . 11 1 1 A 78 78 LEU CA C 78 53.333 53.167 0.166 1
1 900 . 11 1 1 A 78 78 LEU CB C 78 41.272 44.090 -2.818 1
1 904 . 11 1 1 A 78 78 LEU N N 78 126.698 127.252 -0.554 1
1 905 . 11 1 1 A 79 79 GLU H H 79 8.239 8.818 -0.579 1
1 906 . 11 1 1 A 79 79 GLU HA H 79 5.034 4.913 0.121 1
1 911 . 11 1 1 A 79 79 GLU C C 79 174.792 175.644 -0.852 1
1 912 . 11 1 1 A 79 79 GLU CA C 79 54.056 54.569 -0.513 1
1 913 . 11 1 1 A 79 79 GLU CB C 79 33.692 33.194 0.498 1
1 915 . 11 1 1 A 79 79 GLU N N 79 119.147 122.538 -3.391 1
1 916 . 11 1 1 A 80 80 ASN H H 80 9.068 8.717 0.351 1
1 917 . 11 1 1 A 80 80 ASN HA H 80 4.303 4.308 -0.005 1
1 922 . 11 1 1 A 80 80 ASN C C 80 174.823 174.324 0.499 1
1 923 . 11 1 1 A 80 80 ASN CA C 80 54.462 54.287 0.175 1
1 924 . 11 1 1 A 80 80 ASN CB C 80 37.359 37.008 0.351 1
1 925 . 11 1 1 A 80 80 ASN N N 80 113.324 116.543 -3.219 1
1 927 . 11 1 1 A 81 81 LEU H H 81 8.671 7.581 1.090 1
1 928 . 11 1 1 A 81 81 LEU HA H 81 4.252 4.802 -0.550 1
1 938 . 11 1 1 A 81 81 LEU C C 81 175.804 175.698 0.106 1
1 939 . 11 1 1 A 81 81 LEU CA C 81 53.841 53.165 0.676 1
1 940 . 11 1 1 A 81 81 LEU CB C 81 40.891 43.613 -2.722 1
1 944 . 11 1 1 A 81 81 LEU N N 81 117.886 118.730 -0.844 1
1 945 . 11 1 1 A 82 82 LEU H H 82 8.448 8.882 -0.434 1
1 946 . 11 1 1 A 82 82 LEU HA H 82 4.600 4.841 -0.241 1
1 956 . 11 1 1 A 82 82 LEU C C 82 175.149 174.967 0.182 1
1 957 . 11 1 1 A 82 82 LEU CA C 82 52.629 51.923 0.706 1
1 958 . 11 1 1 A 82 82 LEU CB C 82 42.449 42.739 -0.290 1
1 962 . 11 1 1 A 82 82 LEU N N 82 121.118 122.620 -1.502 1
1 963 . 11 1 1 A 83 83 PRO HA H 83 5.237 4.402 0.835 1
1 970 . 11 1 1 A 83 83 PRO C C 83 178.145 177.365 0.780 1
1 971 . 11 1 1 A 83 83 PRO CA C 83 62.472 63.469 -0.997 1
1 972 . 11 1 1 A 83 83 PRO CB C 83 33.232 32.060 1.172 1
1 975 . 11 1 1 A 84 84 ASP H H 84 7.943 9.422 -1.479 1
1 976 . 11 1 1 A 84 84 ASP HA H 84 4.208 4.380 -0.172 1
1 979 . 11 1 1 A 84 84 ASP C C 84 174.476 174.847 -0.371 1
1 980 . 11 1 1 A 84 84 ASP CA C 84 54.250 55.092 -0.842 1
1 981 . 11 1 1 A 84 84 ASP CB C 84 41.568 39.533 2.035 1
1 982 . 11 1 1 A 84 84 ASP N N 84 126.496 121.861 4.635 1
1 983 . 11 1 1 A 85 85 THR H H 85 8.261 8.155 0.106 1
1 984 . 11 1 1 A 85 85 THR HA H 85 4.381 4.775 -0.394 1
1 989 . 11 1 1 A 85 85 THR C C 85 170.639 172.892 -2.253 1
1 990 . 11 1 1 A 85 85 THR CA C 85 62.951 60.919 2.032 1
1 991 . 11 1 1 A 85 85 THR CB C 85 72.217 72.352 -0.135 1
1 993 . 11 1 1 A 85 85 THR N N 85 114.015 112.395 1.620 1
1 994 . 11 1 1 A 86 86 GLN H H 86 8.221 8.515 -0.294 1
1 995 . 11 1 1 A 86 86 GLN HA H 86 3.664 3.949 -0.285 1
1 1002 . 11 1 1 A 86 86 GLN C C 86 172.890 173.926 -1.036 1
1 1003 . 11 1 1 A 86 86 GLN CA C 86 54.585 55.178 -0.593 1
1 1004 . 11 1 1 A 86 86 GLN CB C 86 28.836 29.126 -0.290 1
1 1006 . 11 1 1 A 86 86 GLN N N 86 127.039 126.389 0.650 1
1 1008 . 11 1 1 A 87 87 TYR H H 87 8.976 8.626 0.350 1
1 1009 . 11 1 1 A 87 87 TYR HA H 87 4.583 4.740 -0.157 1
1 1016 . 11 1 1 A 87 87 TYR C C 87 173.534 174.645 -1.111 1
1 1017 . 11 1 1 A 87 87 TYR CA C 87 57.599 56.148 1.451 1
1 1018 . 11 1 1 A 87 87 TYR CB C 87 42.344 40.917 1.427 1
1 1023 . 11 1 1 A 87 87 TYR N N 87 126.060 125.286 0.774 1
1 1024 . 11 1 1 A 88 88 PHE H H 88 8.388 8.205 0.183 1
1 1025 . 11 1 1 A 88 88 PHE HA H 88 4.902 4.772 0.130 1
1 1033 . 11 1 1 A 88 88 PHE C C 88 175.238 174.882 0.356 1
1 1034 . 11 1 1 A 88 88 PHE CA C 88 55.872 57.304 -1.432 1
1 1035 . 11 1 1 A 88 88 PHE CB C 88 40.284 38.107 2.177 1
1 1041 . 11 1 1 A 88 88 PHE N N 88 118.991 122.850 -3.859 1
1 1042 . 11 1 1 A 89 89 ILE H H 89 8.450 9.024 -0.574 1
1 1043 . 11 1 1 A 89 89 ILE HA H 89 4.913 5.067 -0.154 1
1 1053 . 11 1 1 A 89 89 ILE C C 89 174.770 175.122 -0.352 1
1 1054 . 11 1 1 A 89 89 ILE CA C 89 60.472 60.033 0.439 1
1 1055 . 11 1 1 A 89 89 ILE CB C 89 43.167 40.001 3.166 1
1 1059 . 11 1 1 A 89 89 ILE N N 89 118.943 124.831 -5.888 1
1 1060 . 11 1 1 A 90 90 GLU H H 90 9.071 8.511 0.560 1
1 1061 . 11 1 1 A 90 90 GLU HA H 90 4.558 4.930 -0.372 1
1 1066 . 11 1 1 A 90 90 GLU C C 90 173.981 174.489 -0.508 1
1 1067 . 11 1 1 A 90 90 GLU CA C 90 54.831 55.156 -0.325 1
1 1068 . 11 1 1 A 90 90 GLU CB C 90 35.052 33.553 1.499 1
1 1070 . 11 1 1 A 90 90 GLU N N 90 124.044 126.711 -2.667 1
1 1071 . 11 1 1 A 91 91 VAL H H 91 8.564 8.766 -0.202 1
1 1072 . 11 1 1 A 91 91 VAL HA H 91 4.968 4.557 0.411 1
1 1080 . 11 1 1 A 91 91 VAL C C 91 174.488 175.231 -0.743 1
1 1081 . 11 1 1 A 91 91 VAL CA C 91 60.525 60.759 -0.234 1
1 1082 . 11 1 1 A 91 91 VAL CB C 91 34.308 32.655 1.653 1
1 1085 . 11 1 1 A 91 91 VAL N N 91 121.165 126.588 -5.423 1
1 1086 . 11 1 1 A 92 92 GLY H H 92 8.941 8.749 0.192 1
1 1087 . 11 1 1 A 92 92 GLY HA2 H 92 4.571 4.282 0.289 1
1 1088 . 11 1 1 A 92 92 GLY HA3 H 92 3.581 4.288 -0.707 1
1 1089 . 11 1 1 A 92 92 GLY C C 92 171.577 171.897 -0.320 1
1 1090 . 11 1 1 A 92 92 GLY CA C 92 43.640 44.467 -0.827 1
1 1091 . 11 1 1 A 92 92 GLY N N 92 112.251 114.524 -2.273 1
1 1092 . 11 1 1 A 93 93 ALA H H 93 10.001 8.748 1.253 1
1 1093 . 11 1 1 A 93 93 ALA HA H 93 4.560 4.704 -0.144 1
1 1097 . 11 1 1 A 93 93 ALA C C 93 176.786 176.510 0.276 1
1 1098 . 11 1 1 A 93 93 ALA CA C 93 51.060 51.413 -0.353 1
1 1099 . 11 1 1 A 93 93 ALA CB C 93 21.088 20.028 1.060 1
1 1100 . 11 1 1 A 93 93 ALA N N 93 126.200 124.814 1.386 1
1 1101 . 11 1 1 A 94 94 CYS H H 94 8.739 8.779 -0.040 1
1 1102 . 11 1 1 A 94 94 CYS HA H 94 5.214 4.873 0.341 1
1 1105 . 11 1 1 A 94 94 CYS C C 94 174.087 173.302 0.785 1
1 1106 . 11 1 1 A 94 94 CYS CA C 94 57.088 57.993 -0.905 1
1 1107 . 11 1 1 A 94 94 CYS CB C 94 31.345 31.273 0.072 1
1 1108 . 11 1 1 A 94 94 CYS N N 94 118.064 121.110 -3.046 1
1 1109 . 11 1 1 A 95 95 ASN H H 95 8.968 8.353 0.615 1
1 1110 . 11 1 1 A 95 95 ASN HA H 95 4.593 5.049 -0.456 1
1 1115 . 11 1 1 A 95 95 ASN C C 95 176.009 175.735 0.274 1
1 1116 . 11 1 1 A 95 95 ASN CA C 95 52.981 51.360 1.621 1
1 1117 . 11 1 1 A 95 95 ASN CB C 95 39.336 40.296 -0.960 1
1 1118 . 11 1 1 A 95 95 ASN N N 95 121.604 124.964 -3.360 1
1 1120 . 11 1 1 A 96 96 SER H H 96 8.483 8.862 -0.379 1
1 1121 . 11 1 1 A 96 96 SER HA H 96 4.085 4.006 0.079 1
1 1124 . 11 1 1 A 96 96 SER C C 96 174.700 176.546 -1.846 1
1 1125 . 11 1 1 A 96 96 SER CA C 96 61.600 61.162 0.438 1
1 1126 . 11 1 1 A 96 96 SER CB C 96 62.794 62.516 0.278 1
1 1127 . 11 1 1 A 96 96 SER N N 96 113.664 117.591 -3.927 1
1 1128 . 11 1 1 A 97 97 ALA H H 97 8.187 7.680 0.507 1
1 1129 . 11 1 1 A 97 97 ALA HA H 97 4.357 4.062 0.295 1
1 1133 . 11 1 1 A 97 97 ALA C C 97 177.600 177.068 0.532 1
1 1134 . 11 1 1 A 97 97 ALA CA C 97 52.681 55.066 -2.385 1
1 1135 . 11 1 1 A 97 97 ALA CB C 97 19.192 19.152 0.040 1
1 1136 . 11 1 1 A 97 97 ALA N N 97 123.374 121.828 1.546 1
1 1137 . 11 1 1 A 98 98 GLY H H 98 7.800 7.745 0.055 1
1 1138 . 11 1 1 A 98 98 GLY HA2 H 98 4.444 4.132 0.312 1
1 1139 . 11 1 1 A 98 98 GLY HA3 H 98 3.840 4.132 -0.292 1
1 1140 . 11 1 1 A 98 98 GLY C C 98 171.071 172.869 -1.798 1
1 1141 . 11 1 1 A 98 98 GLY CA C 98 44.809 43.933 0.876 1
1 1142 . 11 1 1 A 98 98 GLY N N 98 106.029 104.604 1.425 1
1 1143 . 11 1 1 A 99 99 CYS H H 99 8.399 8.594 -0.195 1
1 1144 . 11 1 1 A 99 99 CYS HA H 99 4.891 5.390 -0.499 1
1 1147 . 11 1 1 A 99 99 CYS C C 99 175.557 174.230 1.327 1
1 1148 . 11 1 1 A 99 99 CYS CA C 99 57.670 57.561 0.109 1
1 1149 . 11 1 1 A 99 99 CYS CB C 99 29.469 29.809 -0.340 1
1 1150 . 11 1 1 A 99 99 CYS N N 99 117.855 117.465 0.390 1
1 1151 . 11 1 1 A 100 100 GLY H H 100 8.930 8.701 0.229 1
1 1152 . 11 1 1 A 100 100 GLY HA2 H 100 4.282 4.326 -0.044 1
1 1153 . 11 1 1 A 100 100 GLY HA3 H 100 3.764 4.330 -0.566 1
1 1154 . 11 1 1 A 100 100 GLY C C 100 170.974 171.944 -0.970 1
1 1155 . 11 1 1 A 100 100 GLY CA C 100 45.578 44.238 1.340 1
1 1156 . 11 1 1 A 100 100 GLY N N 100 113.025 110.409 2.616 1
1 1157 . 11 1 1 A 101 101 PRO HA H 101 4.616 4.598 0.018 1
1 1164 . 11 1 1 A 101 101 PRO CA C 101 60.598 62.190 -1.592 1
1 1165 . 11 1 1 A 101 101 PRO CB C 101 30.874 32.279 -1.405 1
1 1168 . 11 1 1 A 102 102 PRO HA H 102 4.659 4.532 0.127 1
1 1175 . 11 1 1 A 102 102 PRO C C 102 178.078 176.434 1.644 1
1 1176 . 11 1 1 A 102 102 PRO CA C 102 62.111 62.358 -0.247 1
1 1177 . 11 1 1 A 102 102 PRO CB C 102 32.383 32.200 0.183 1
1 1180 . 11 1 1 A 103 103 SER H H 103 8.732 8.003 0.729 1
1 1181 . 11 1 1 A 103 103 SER HA H 103 4.222 4.600 -0.378 1
1 1184 . 11 1 1 A 103 103 SER C C 103 173.155 173.729 -0.574 1
1 1185 . 11 1 1 A 103 103 SER CA C 103 58.321 57.580 0.741 1
1 1186 . 11 1 1 A 103 103 SER CB C 103 65.815 65.353 0.462 1
1 1187 . 11 1 1 A 103 103 SER N N 103 113.387 114.923 -1.536 1
1 1188 . 11 1 1 A 104 104 ASP H H 104 8.248 8.683 -0.435 1
1 1189 . 11 1 1 A 104 104 ASP HA H 104 4.472 4.737 -0.265 1
1 1192 . 11 1 1 A 104 104 ASP C C 104 176.703 176.426 0.277 1
1 1193 . 11 1 1 A 104 104 ASP CA C 104 55.573 54.659 0.914 1
1 1194 . 11 1 1 A 104 104 ASP CB C 104 40.583 41.185 -0.602 1
1 1195 . 11 1 1 A 104 104 ASP N N 104 119.021 120.795 -1.774 1
1 1196 . 11 1 1 A 105 105 MET H H 105 8.460 8.484 -0.024 1
1 1197 . 11 1 1 A 105 105 MET HA H 105 4.542 4.392 0.150 1
1 1205 . 11 1 1 A 105 105 MET C C 105 175.687 175.132 0.555 1
1 1206 . 11 1 1 A 105 105 MET CA C 105 56.348 56.365 -0.017 1
1 1207 . 11 1 1 A 105 105 MET CB C 105 33.610 32.866 0.744 1
1 1210 . 11 1 1 A 105 105 MET N N 105 124.915 123.764 1.151 1
1 1211 . 11 1 1 A 106 106 ILE H H 106 8.914 8.815 0.099 1
1 1212 . 11 1 1 A 106 106 ILE HA H 106 4.571 4.970 -0.399 1
1 1222 . 11 1 1 A 106 106 ILE C C 106 173.498 175.694 -2.196 1
1 1223 . 11 1 1 A 106 106 ILE CA C 106 59.185 59.538 -0.353 1
1 1224 . 11 1 1 A 106 106 ILE CB C 106 40.786 40.785 0.001 1
1 1228 . 11 1 1 A 106 106 ILE N N 106 126.141 127.655 -1.514 1
1 1229 . 11 1 1 A 107 107 GLU H H 107 7.999 8.917 -0.918 1
1 1230 . 11 1 1 A 107 107 GLU HA H 107 5.373 4.925 0.448 1
1 1235 . 11 1 1 A 107 107 GLU C C 107 175.263 175.248 0.015 1
1 1236 . 11 1 1 A 107 107 GLU CA C 107 53.343 54.696 -1.353 1
1 1237 . 11 1 1 A 107 107 GLU CB C 107 32.951 33.039 -0.088 1
1 1239 . 11 1 1 A 107 107 GLU N N 107 121.346 123.343 -1.997 1
1 1240 . 11 1 1 A 108 108 ALA H H 108 8.685 8.303 0.382 1
1 1241 . 11 1 1 A 108 108 ALA HA H 108 4.549 5.180 -0.631 1
1 1245 . 11 1 1 A 108 108 ALA C C 108 174.431 175.356 -0.925 1
1 1246 . 11 1 1 A 108 108 ALA CA C 108 51.113 50.736 0.377 1
1 1247 . 11 1 1 A 108 108 ALA CB C 108 23.724 23.657 0.067 1
1 1248 . 11 1 1 A 108 108 ALA N N 108 123.009 121.815 1.194 1
1 1249 . 11 1 1 A 109 109 PHE H H 109 8.519 9.123 -0.604 1
1 1250 . 11 1 1 A 109 109 PHE HA H 109 5.481 5.131 0.350 1
1 1258 . 11 1 1 A 109 109 PHE C C 109 177.604 175.965 1.639 1
1 1259 . 11 1 1 A 109 109 PHE CA C 109 55.854 56.651 -0.797 1
1 1260 . 11 1 1 A 109 109 PHE CB C 109 41.019 40.619 0.400 1
1 1266 . 11 1 1 A 109 109 PHE N N 109 119.997 118.084 1.913 1
1 1267 . 11 1 1 A 110 110 THR H H 110 8.839 8.504 0.335 1
1 1268 . 11 1 1 A 110 110 THR HA H 110 4.103 4.480 -0.377 1
1 1273 . 11 1 1 A 110 110 THR C C 110 175.354 174.243 1.111 1
1 1274 . 11 1 1 A 110 110 THR CA C 110 61.763 61.836 -0.073 1
1 1275 . 11 1 1 A 110 110 THR CB C 110 69.356 70.788 -1.432 1
1 1277 . 11 1 1 A 110 110 THR N N 110 112.067 117.399 -5.332 1
1 1278 . 11 1 1 A 111 111 LYS H H 111 6.542 8.532 -1.990 1
1 1279 . 11 1 1 A 111 111 LYS HA H 111 4.208 4.526 -0.318 1
1 1288 . 11 1 1 A 111 111 LYS C C 111 176.693 176.487 0.206 1
1 1289 . 11 1 1 A 111 111 LYS CA C 111 56.383 55.689 0.694 1
1 1290 . 11 1 1 A 111 111 LYS CB C 111 33.447 33.781 -0.334 1
1 1294 . 11 1 1 A 111 111 LYS N N 111 116.497 121.480 -4.983 1
1 1295 . 11 1 1 A 112 112 LYS H H 112 8.230 8.594 -0.364 1
1 1296 . 11 1 1 A 112 112 LYS HA H 112 4.143 4.731 -0.588 1
1 1304 . 11 1 1 A 112 112 LYS C C 112 176.823 176.092 0.731 1
1 1305 . 11 1 1 A 112 112 LYS CA C 112 57.229 55.393 1.836 1
1 1306 . 11 1 1 A 112 112 LYS CB C 112 33.528 33.996 -0.468 1
1 1310 . 11 1 1 A 112 112 LYS N N 112 118.783 120.321 -1.538 1
1 1311 . 11 1 1 A 113 113 ALA H H 113 8.762 8.529 0.233 1
1 1312 . 11 1 1 A 113 113 ALA HA H 113 4.338 4.384 -0.046 1
1 1316 . 11 1 1 A 113 113 ALA C C 113 177.688 176.834 0.854 1
1 1317 . 11 1 1 A 113 113 ALA CA C 113 52.417 52.144 0.273 1
1 1318 . 11 1 1 A 113 113 ALA CB C 113 19.272 18.175 1.097 1
1 1319 . 11 1 1 A 113 113 ALA N N 113 124.432 127.537 -3.105 1
1 1320 . 11 1 1 A 114 114 SER H H 114 8.386 8.384 0.002 1
1 1321 . 11 1 1 A 114 114 SER HA H 114 4.487 4.456 0.031 1
1 1324 . 11 1 1 A 114 114 SER C C 114 174.474 174.815 -0.341 1
1 1325 . 11 1 1 A 114 114 SER CA C 114 58.063 59.133 -1.070 1
1 1326 . 11 1 1 A 114 114 SER CB C 114 64.012 64.025 -0.013 1
1 1327 . 11 1 1 A 114 114 SER N N 114 115.798 119.265 -3.467 1
1 1328 . 11 1 1 A 115 115 GLY H H 115 8.278 8.456 -0.178 1
1 1329 . 11 1 1 A 115 115 GLY HA2 H 115 4.172 4.266 -0.094 1
1 1330 . 11 1 1 A 115 115 GLY HA3 H 115 4.094 4.266 -0.172 1
1 1331 . 11 1 1 A 115 115 GLY C C 115 171.799 172.326 -0.527 1
1 1332 . 11 1 1 A 115 115 GLY CA C 115 44.662 44.144 0.518 1
1 1333 . 11 1 1 A 115 115 GLY N N 115 110.600 111.258 -0.658 1
1 1334 . 11 1 1 A 116 116 PRO HA H 116 4.472 4.667 -0.195 1
1 1341 . 11 1 1 A 116 116 PRO C C 116 177.440 177.196 0.244 1
1 1342 . 11 1 1 A 116 116 PRO CA C 116 63.275 62.829 0.446 1
1 1343 . 11 1 1 A 116 116 PRO CB C 116 32.169 31.677 0.492 1
1 1346 . 11 1 1 A 117 117 SER HA H 117 4.505 4.361 0.144 1
1 1348 . 11 1 1 A 117 117 SER C C 117 174.652 174.200 0.452 1
1 1349 . 11 1 1 A 117 117 SER CA C 117 58.393 58.523 -0.130 1
1 1350 . 11 1 1 A 117 117 SER CB C 117 63.899 63.575 0.324 1
1 1351 . 11 1 1 A 117 117 SER N N 117 116.140 118.726 -2.586 1
1 1352 . 11 1 1 A 118 118 SER H H 118 8.314 7.618 0.696 1
1 1353 . 11 1 1 A 118 118 SER HA H 118 4.494 4.982 -0.488 1
1 1355 . 11 1 1 A 118 118 SER C C 118 173.938 173.329 0.609 1
1 1356 . 11 1 1 A 118 118 SER CA C 118 58.428 57.372 1.056 1
1 1357 . 11 1 1 A 118 118 SER CB C 118 63.929 64.162 -0.233 1
1 1358 . 11 1 1 A 118 118 SER N N 118 117.760 118.152 -0.392 1
1 6 . 12 1 1 A 4 4 GLY H H 4 8.507 8.585 -0.078 1
1 7 . 12 1 1 A 4 4 GLY HA2 H 4 4.513 4.328 0.185 1
1 8 . 12 1 1 A 4 4 GLY HA3 H 4 3.859 4.328 -0.469 1
1 9 . 12 1 1 A 4 4 GLY CA C 4 44.199 43.842 0.357 1
1 10 . 12 1 1 A 4 4 GLY N N 4 116.148 111.285 4.863 1
1 11 . 12 1 1 A 6 6 SER HA H 6 4.472 5.356 -0.884 1
1 13 . 12 1 1 A 6 6 SER C C 6 174.998 172.773 2.225 1
1 14 . 12 1 1 A 6 6 SER CA C 6 58.657 56.876 1.781 1
1 15 . 12 1 1 A 6 6 SER CB C 6 64.025 66.271 -2.246 1
1 16 . 12 1 1 A 7 7 GLY H H 7 8.399 8.426 -0.027 1
1 17 . 12 1 1 A 7 7 GLY HA2 H 7 3.963 4.216 -0.253 1
1 18 . 12 1 1 A 7 7 GLY HA3 H 7 3.963 4.216 -0.253 1
1 19 . 12 1 1 A 7 7 GLY C C 7 173.942 172.276 1.666 1
1 20 . 12 1 1 A 7 7 GLY CA C 7 45.332 45.621 -0.289 1
1 21 . 12 1 1 A 7 7 GLY N N 7 110.856 111.118 -0.262 1
1 22 . 12 1 1 A 8 8 VAL H H 8 7.919 8.790 -0.871 1
1 23 . 12 1 1 A 8 8 VAL HA H 8 4.101 4.847 -0.746 1
1 31 . 12 1 1 A 8 8 VAL C C 8 175.827 174.293 1.534 1
1 32 . 12 1 1 A 8 8 VAL CA C 8 61.987 60.217 1.770 1
1 33 . 12 1 1 A 8 8 VAL CB C 8 32.786 33.870 -1.084 1
1 36 . 12 1 1 A 8 8 VAL N N 8 119.305 124.224 -4.919 1
1 37 . 12 1 1 A 9 9 ALA H H 9 8.367 8.795 -0.428 1
1 38 . 12 1 1 A 9 9 ALA HA H 9 4.329 4.770 -0.441 1
1 42 . 12 1 1 A 9 9 ALA C C 9 177.422 176.272 1.150 1
1 43 . 12 1 1 A 9 9 ALA CA C 9 52.399 52.183 0.216 1
1 44 . 12 1 1 A 9 9 ALA CB C 9 19.317 20.894 -1.577 1
1 45 . 12 1 1 A 9 9 ALA N N 9 128.175 128.983 -0.808 1
1 46 . 12 1 1 A 10 10 VAL H H 10 8.154 8.538 -0.384 1
1 47 . 12 1 1 A 10 10 VAL HA H 10 4.046 4.111 -0.065 1
1 55 . 12 1 1 A 10 10 VAL C C 10 176.076 175.763 0.313 1
1 56 . 12 1 1 A 10 10 VAL CA C 10 62.288 62.093 0.195 1
1 57 . 12 1 1 A 10 10 VAL CB C 10 32.786 31.805 0.981 1
1 60 . 12 1 1 A 10 10 VAL N N 10 120.641 122.088 -1.447 1
1 61 . 12 1 1 A 11 11 ILE H H 11 8.261 8.358 -0.097 1
1 62 . 12 1 1 A 11 11 ILE HA H 11 4.148 4.019 0.129 1
1 72 . 12 1 1 A 11 11 ILE C C 11 175.857 175.710 0.147 1
1 73 . 12 1 1 A 11 11 ILE CA C 11 60.842 60.687 0.155 1
1 74 . 12 1 1 A 11 11 ILE CB C 11 38.776 39.031 -0.255 1
1 78 . 12 1 1 A 11 11 ILE N N 11 125.253 124.496 0.757 1
1 79 . 12 1 1 A 12 12 ASN H H 12 8.575 8.514 0.061 1
1 80 . 12 1 1 A 12 12 ASN HA H 12 4.737 5.450 -0.713 1
1 85 . 12 1 1 A 12 12 ASN C C 12 175.004 173.859 1.145 1
1 86 . 12 1 1 A 12 12 ASN CA C 12 53.087 52.100 0.987 1
1 87 . 12 1 1 A 12 12 ASN CB C 12 39.076 43.273 -4.197 1
1 88 . 12 1 1 A 12 12 ASN N N 12 123.538 119.778 3.760 1
1 90 . 12 1 1 A 13 13 SER H H 13 8.317 8.577 -0.260 1
1 91 . 12 1 1 A 13 13 SER HA H 13 4.373 5.120 -0.747 1
1 94 . 12 1 1 A 13 13 SER C C 13 174.118 172.657 1.461 1
1 95 . 12 1 1 A 13 13 SER CA C 13 58.375 57.164 1.211 1
1 96 . 12 1 1 A 13 13 SER CB C 13 63.866 65.291 -1.425 1
1 97 . 12 1 1 A 13 13 SER N N 13 116.982 115.963 1.019 1
1 98 . 12 1 1 A 14 14 ALA H H 14 8.317 8.328 -0.011 1
1 99 . 12 1 1 A 14 14 ALA HA H 14 4.285 4.665 -0.380 1
1 103 . 12 1 1 A 14 14 ALA C C 14 177.298 176.972 0.326 1
1 104 . 12 1 1 A 14 14 ALA CA C 14 52.628 51.255 1.373 1
1 105 . 12 1 1 A 14 14 ALA CB C 14 19.192 22.488 -3.296 1
1 106 . 12 1 1 A 14 14 ALA N N 14 125.606 128.133 -2.527 1
1 107 . 12 1 1 A 15 15 GLN H H 15 8.221 8.794 -0.573 1
1 108 . 12 1 1 A 15 15 GLN HA H 15 4.237 4.258 -0.021 1
1 115 . 12 1 1 A 15 15 GLN C C 15 174.741 175.101 -0.360 1
1 116 . 12 1 1 A 15 15 GLN CA C 15 55.925 57.816 -1.891 1
1 117 . 12 1 1 A 15 15 GLN CB C 15 29.990 29.123 0.867 1
1 119 . 12 1 1 A 15 15 GLN N N 15 119.248 118.399 0.849 1
1 121 . 12 1 1 A 16 16 ASP H H 16 7.898 7.834 0.064 1
1 122 . 12 1 1 A 16 16 ASP HA H 16 4.714 5.114 -0.400 1
1 125 . 12 1 1 A 16 16 ASP C C 16 175.219 174.064 1.155 1
1 126 . 12 1 1 A 16 16 ASP CA C 16 53.387 52.739 0.648 1
1 127 . 12 1 1 A 16 16 ASP CB C 16 42.771 46.235 -3.464 1
1 128 . 12 1 1 A 16 16 ASP N N 16 119.674 117.663 2.011 1
1 129 . 12 1 1 A 17 17 ALA H H 17 8.256 8.269 -0.013 1
1 130 . 12 1 1 A 17 17 ALA HA H 17 4.549 4.767 -0.218 1
1 134 . 12 1 1 A 17 17 ALA C C 17 174.226 174.027 0.199 1
1 135 . 12 1 1 A 17 17 ALA CA C 17 50.514 49.978 0.536 1
1 136 . 12 1 1 A 17 17 ALA CB C 17 16.689 22.397 -5.708 1
1 137 . 12 1 1 A 17 17 ALA N N 17 123.830 120.633 3.197 1
1 138 . 12 1 1 A 18 18 PRO HA H 18 4.247 4.922 -0.675 1
1 145 . 12 1 1 A 18 18 PRO CA C 18 63.135 62.700 0.435 1
1 146 . 12 1 1 A 18 18 PRO CB C 18 31.866 31.860 0.006 1
1 149 . 12 1 1 A 19 19 SER HA H 19 4.524 4.566 -0.042 1
1 152 . 12 1 1 A 19 19 SER C C 19 173.934 173.833 0.101 1
1 153 . 12 1 1 A 19 19 SER CA C 19 58.657 58.657 0.000 1
1 154 . 12 1 1 A 19 19 SER CB C 19 65.246 65.082 0.164 1
1 155 . 12 1 1 A 20 20 GLU H H 20 7.589 7.667 -0.078 1
1 156 . 12 1 1 A 20 20 GLU HA H 20 4.604 4.932 -0.328 1
1 161 . 12 1 1 A 20 20 GLU C C 20 175.082 174.624 0.458 1
1 162 . 12 1 1 A 20 20 GLU CA C 20 54.762 54.968 -0.206 1
1 163 . 12 1 1 A 20 20 GLU CB C 20 33.405 33.377 0.028 1
1 165 . 12 1 1 A 20 20 GLU N N 20 121.739 120.226 1.513 1
1 166 . 12 1 1 A 21 21 ALA H H 21 8.564 8.742 -0.178 1
1 167 . 12 1 1 A 21 21 ALA HA H 21 4.995 4.899 0.096 1
1 171 . 12 1 1 A 21 21 ALA C C 21 175.731 174.504 1.227 1
1 172 . 12 1 1 A 21 21 ALA CA C 21 49.341 49.648 -0.307 1
1 173 . 12 1 1 A 21 21 ALA CB C 21 19.388 22.552 -3.164 1
1 174 . 12 1 1 A 21 21 ALA N N 21 125.054 125.487 -0.433 1
1 175 . 12 1 1 A 22 22 PRO HA H 22 4.529 4.904 -0.375 1
1 182 . 12 1 1 A 22 22 PRO C C 22 174.830 176.281 -1.451 1
1 183 . 12 1 1 A 22 22 PRO CA C 22 63.076 62.770 0.306 1
1 184 . 12 1 1 A 22 22 PRO CB C 22 32.294 31.452 0.842 1
1 187 . 12 1 1 A 23 23 THR H H 23 7.442 8.464 -1.022 1
1 188 . 12 1 1 A 23 23 THR HA H 23 4.663 4.726 -0.063 1
1 193 . 12 1 1 A 23 23 THR C C 23 172.878 174.605 -1.727 1
1 194 . 12 1 1 A 23 23 THR CA C 23 59.961 61.254 -1.293 1
1 195 . 12 1 1 A 23 23 THR CB C 23 72.337 70.476 1.861 1
1 197 . 12 1 1 A 23 23 THR N N 23 109.039 119.119 -10.080 1
1 198 . 12 1 1 A 24 24 GLU H H 24 8.782 8.916 -0.134 1
1 199 . 12 1 1 A 24 24 GLU HA H 24 3.911 3.853 0.058 1
1 204 . 12 1 1 A 24 24 GLU C C 24 175.816 175.867 -0.051 1
1 205 . 12 1 1 A 24 24 GLU CA C 24 56.172 57.193 -1.021 1
1 206 . 12 1 1 A 24 24 GLU CB C 24 27.761 27.749 0.012 1
1 208 . 12 1 1 A 24 24 GLU N N 24 115.227 119.307 -4.080 1
1 209 . 12 1 1 A 25 25 VAL H H 25 8.030 8.038 -0.008 1
1 210 . 12 1 1 A 25 25 VAL HA H 25 4.891 4.128 0.763 1
1 218 . 12 1 1 A 25 25 VAL C C 25 177.065 176.447 0.618 1
1 219 . 12 1 1 A 25 25 VAL CA C 25 62.446 62.921 -0.475 1
1 220 . 12 1 1 A 25 25 VAL CB C 25 31.471 32.489 -1.018 1
1 223 . 12 1 1 A 25 25 VAL N N 25 119.529 119.746 -0.217 1
1 224 . 12 1 1 A 26 26 GLY H H 26 8.796 9.056 -0.260 1
1 225 . 12 1 1 A 26 26 GLY HA2 H 26 4.420 4.372 0.048 1
1 226 . 12 1 1 A 26 26 GLY HA3 H 26 3.646 4.401 -0.755 1
1 227 . 12 1 1 A 26 26 GLY C C 26 170.874 172.902 -2.028 1
1 228 . 12 1 1 A 26 26 GLY CA C 26 44.468 43.861 0.607 1
1 229 . 12 1 1 A 26 26 GLY N N 26 114.560 113.246 1.314 1
1 230 . 12 1 1 A 27 27 VAL H H 27 8.332 8.825 -0.493 1
1 231 . 12 1 1 A 27 27 VAL HA H 27 5.508 5.180 0.328 1
1 239 . 12 1 1 A 27 27 VAL C C 27 175.652 173.657 1.995 1
1 240 . 12 1 1 A 27 27 VAL CA C 27 58.279 59.817 -1.538 1
1 241 . 12 1 1 A 27 27 VAL CB C 27 36.230 35.125 1.105 1
1 244 . 12 1 1 A 27 27 VAL N N 27 110.792 118.092 -7.300 1
1 245 . 12 1 1 A 28 28 LYS H H 28 9.143 9.628 -0.485 1
1 246 . 12 1 1 A 28 28 LYS HA H 28 4.550 5.089 -0.539 1
1 254 . 12 1 1 A 28 28 LYS C C 28 175.150 175.264 -0.114 1
1 255 . 12 1 1 A 28 28 LYS CA C 28 55.396 54.766 0.630 1
1 256 . 12 1 1 A 28 28 LYS CB C 28 35.134 35.492 -0.358 1
1 260 . 12 1 1 A 28 28 LYS N N 28 123.314 126.035 -2.721 1
1 261 . 12 1 1 A 29 29 VAL H H 29 9.190 8.952 0.238 1
1 262 . 12 1 1 A 29 29 VAL HA H 29 3.939 4.154 -0.215 1
1 270 . 12 1 1 A 29 29 VAL C C 29 176.162 175.481 0.681 1
1 271 . 12 1 1 A 29 29 VAL CA C 29 64.332 62.781 1.551 1
1 272 . 12 1 1 A 29 29 VAL CB C 29 31.417 31.267 0.150 1
1 275 . 12 1 1 A 29 29 VAL N N 29 127.176 127.185 -0.009 1
1 276 . 12 1 1 A 30 30 LEU H H 30 8.108 8.939 -0.831 1
1 277 . 12 1 1 A 30 30 LEU HA H 30 4.375 4.292 0.083 1
1 287 . 12 1 1 A 30 30 LEU C C 30 177.477 176.364 1.113 1
1 288 . 12 1 1 A 30 30 LEU CA C 30 55.886 56.125 -0.239 1
1 289 . 12 1 1 A 30 30 LEU CB C 30 42.498 42.509 -0.011 1
1 293 . 12 1 1 A 30 30 LEU N N 30 128.053 129.480 -1.427 1
1 294 . 12 1 1 A 31 31 SER H H 31 8.152 7.998 0.154 1
1 295 . 12 1 1 A 31 31 SER HA H 31 4.748 4.688 0.060 1
1 298 . 12 1 1 A 31 31 SER C C 31 173.427 174.398 -0.971 1
1 299 . 12 1 1 A 31 31 SER CA C 31 57.811 56.273 1.538 1
1 300 . 12 1 1 A 31 31 SER CB C 31 64.517 65.618 -1.101 1
1 301 . 12 1 1 A 31 31 SER N N 31 112.798 110.425 2.373 1
1 302 . 12 1 1 A 32 32 SER H H 32 8.450 8.767 -0.317 1
1 303 . 12 1 1 A 32 32 SER HA H 32 4.604 4.223 0.381 1
1 306 . 12 1 1 A 32 32 SER C C 32 172.423 175.145 -2.722 1
1 307 . 12 1 1 A 32 32 SER CA C 32 59.414 61.125 -1.711 1
1 308 . 12 1 1 A 32 32 SER CB C 32 63.903 62.786 1.117 1
1 309 . 12 1 1 A 32 32 SER N N 32 112.687 118.528 -5.841 1
1 310 . 12 1 1 A 33 33 SER H H 33 8.355 7.955 0.400 1
1 311 . 12 1 1 A 33 33 SER HA H 33 4.759 4.635 0.124 1
1 314 . 12 1 1 A 33 33 SER C C 33 173.940 172.189 1.751 1
1 315 . 12 1 1 A 33 33 SER CA C 33 57.229 57.459 -0.230 1
1 316 . 12 1 1 A 33 33 SER CB C 33 66.786 63.985 2.801 1
1 317 . 12 1 1 A 33 33 SER N N 33 109.767 115.842 -6.075 1
1 318 . 12 1 1 A 34 34 GLU H H 34 6.978 7.622 -0.644 1
1 319 . 12 1 1 A 34 34 GLU HA H 34 5.487 5.113 0.374 1
1 324 . 12 1 1 A 34 34 GLU C C 34 175.294 174.689 0.605 1
1 325 . 12 1 1 A 34 34 GLU CA C 34 55.130 55.129 0.001 1
1 326 . 12 1 1 A 34 34 GLU CB C 34 35.711 32.818 2.893 1
1 328 . 12 1 1 A 34 34 GLU N N 34 119.009 118.023 0.986 1
1 329 . 12 1 1 A 35 35 ILE H H 35 8.190 8.507 -0.317 1
1 330 . 12 1 1 A 35 35 ILE HA H 35 4.477 4.975 -0.498 1
1 340 . 12 1 1 A 35 35 ILE C C 35 173.681 173.683 -0.002 1
1 341 . 12 1 1 A 35 35 ILE CA C 35 60.203 60.106 0.097 1
1 342 . 12 1 1 A 35 35 ILE CB C 35 43.791 41.686 2.105 1
1 346 . 12 1 1 A 35 35 ILE N N 35 120.691 124.791 -4.100 1
1 347 . 12 1 1 A 36 36 SER H H 36 9.269 9.050 0.219 1
1 348 . 12 1 1 A 36 36 SER HA H 36 5.300 5.130 0.170 1
1 351 . 12 1 1 A 36 36 SER C C 36 172.945 173.386 -0.441 1
1 352 . 12 1 1 A 36 36 SER CA C 36 56.549 57.378 -0.829 1
1 353 . 12 1 1 A 36 36 SER CB C 36 64.591 64.240 0.351 1
1 354 . 12 1 1 A 36 36 SER N N 36 120.471 122.741 -2.270 1
1 355 . 12 1 1 A 37 37 VAL H H 37 9.000 8.669 0.331 1
1 356 . 12 1 1 A 37 37 VAL HA H 37 4.902 4.558 0.344 1
1 364 . 12 1 1 A 37 37 VAL C C 37 173.530 174.612 -1.082 1
1 365 . 12 1 1 A 37 37 VAL CA C 37 60.261 61.641 -1.380 1
1 366 . 12 1 1 A 37 37 VAL CB C 37 35.001 33.623 1.378 1
1 369 . 12 1 1 A 37 37 VAL N N 37 127.009 125.538 1.471 1
1 370 . 12 1 1 A 38 38 HIS H H 38 8.779 8.760 0.019 1
1 371 . 12 1 1 A 38 38 HIS HA H 38 5.238 5.022 0.216 1
1 376 . 12 1 1 A 38 38 HIS C C 38 173.545 175.232 -1.687 1
1 377 . 12 1 1 A 38 38 HIS CA C 38 54.991 54.075 0.916 1
1 378 . 12 1 1 A 38 38 HIS CB C 38 32.564 31.258 1.306 1
1 381 . 12 1 1 A 38 38 HIS N N 38 123.115 125.048 -1.933 1
1 382 . 12 1 1 A 39 39 TRP H H 39 7.682 8.223 -0.541 1
1 383 . 12 1 1 A 39 39 TRP HA H 39 5.044 5.488 -0.444 1
1 392 . 12 1 1 A 39 39 TRP C C 39 173.585 173.554 0.031 1
1 393 . 12 1 1 A 39 39 TRP CA C 39 57.170 54.388 2.782 1
1 394 . 12 1 1 A 39 39 TRP CB C 39 31.554 32.397 -0.843 1
1 400 . 12 1 1 A 39 39 TRP N N 39 116.447 123.603 -7.156 1
1 402 . 12 1 1 A 40 40 GLU H H 40 8.522 9.069 -0.547 1
1 403 . 12 1 1 A 40 40 GLU HA H 40 4.619 4.898 -0.279 1
1 408 . 12 1 1 A 40 40 GLU C C 40 177.186 176.443 0.743 1
1 409 . 12 1 1 A 40 40 GLU CA C 40 54.356 54.749 -0.393 1
1 410 . 12 1 1 A 40 40 GLU CB C 40 30.344 32.508 -2.164 1
1 412 . 12 1 1 A 40 40 GLU N N 40 117.208 120.749 -3.541 1
1 413 . 12 1 1 A 41 41 HIS H H 41 8.477 8.781 -0.304 1
1 414 . 12 1 1 A 41 41 HIS HA H 41 4.748 4.652 0.096 1
1 419 . 12 1 1 A 41 41 HIS C C 41 177.474 175.703 1.771 1
1 420 . 12 1 1 A 41 41 HIS CA C 41 54.779 57.675 -2.896 1
1 421 . 12 1 1 A 41 41 HIS CB C 41 31.140 30.515 0.625 1
1 424 . 12 1 1 A 41 41 HIS N N 41 119.083 124.945 -5.862 1
1 425 . 12 1 1 A 42 42 VAL H H 42 7.680 8.506 -0.826 1
1 426 . 12 1 1 A 42 42 VAL HA H 42 4.428 4.413 0.015 1
1 434 . 12 1 1 A 42 42 VAL C C 42 175.401 177.242 -1.841 1
1 435 . 12 1 1 A 42 42 VAL CA C 42 60.878 61.856 -0.978 1
1 436 . 12 1 1 A 42 42 VAL CB C 42 32.216 32.806 -0.590 1
1 439 . 12 1 1 A 42 42 VAL N N 42 114.975 122.565 -7.590 1
1 440 . 12 1 1 A 43 43 LEU H H 43 9.107 8.700 0.407 1
1 441 . 12 1 1 A 43 43 LEU HA H 43 4.303 4.086 0.217 1
1 451 . 12 1 1 A 43 43 LEU C C 43 178.603 177.517 1.086 1
1 452 . 12 1 1 A 43 43 LEU CA C 43 55.872 57.504 -1.632 1
1 453 . 12 1 1 A 43 43 LEU CB C 43 41.684 41.622 0.062 1
1 457 . 12 1 1 A 43 43 LEU N N 43 123.877 124.397 -0.520 1
1 458 . 12 1 1 A 44 44 GLU H H 44 7.988 7.762 0.226 1
1 459 . 12 1 1 A 44 44 GLU HA H 44 4.152 4.411 -0.259 1
1 464 . 12 1 1 A 44 44 GLU C C 44 177.236 176.574 0.662 1
1 465 . 12 1 1 A 44 44 GLU CA C 44 57.282 56.407 0.875 1
1 466 . 12 1 1 A 44 44 GLU CB C 44 31.033 30.238 0.795 1
1 468 . 12 1 1 A 44 44 GLU N N 44 119.655 121.555 -1.900 1
1 469 . 12 1 1 A 45 45 LYS H H 45 8.596 8.995 -0.399 1
1 470 . 12 1 1 A 45 45 LYS HA H 45 4.295 4.447 -0.152 1
1 479 . 12 1 1 A 45 45 LYS C C 45 177.258 177.542 -0.284 1
1 480 . 12 1 1 A 45 45 LYS CA C 45 57.170 56.962 0.208 1
1 481 . 12 1 1 A 45 45 LYS CB C 45 32.204 32.616 -0.412 1
1 485 . 12 1 1 A 45 45 LYS N N 45 120.518 126.924 -6.406 1
1 486 . 12 1 1 A 46 46 ILE H H 46 7.212 7.575 -0.363 1
1 487 . 12 1 1 A 46 46 ILE HA H 46 4.371 4.267 0.104 1
1 497 . 12 1 1 A 46 46 ILE C C 46 175.191 176.301 -1.110 1
1 498 . 12 1 1 A 46 46 ILE CA C 46 60.666 62.575 -1.909 1
1 499 . 12 1 1 A 46 46 ILE CB C 46 37.531 38.523 -0.992 1
1 503 . 12 1 1 A 46 46 ILE N N 46 111.434 113.004 -1.570 1
1 504 . 12 1 1 A 47 47 VAL H H 47 7.378 7.330 0.048 1
1 505 . 12 1 1 A 47 47 VAL HA H 47 3.658 3.862 -0.204 1
1 513 . 12 1 1 A 47 47 VAL C C 47 175.157 175.625 -0.468 1
1 514 . 12 1 1 A 47 47 VAL CA C 47 63.521 62.170 1.351 1
1 515 . 12 1 1 A 47 47 VAL CB C 47 33.570 32.373 1.197 1
1 518 . 12 1 1 A 47 47 VAL N N 47 122.780 122.358 0.422 1
1 519 . 12 1 1 A 48 48 GLU H H 48 8.733 8.358 0.375 1
1 520 . 12 1 1 A 48 48 GLU HA H 48 4.615 4.339 0.276 1
1 525 . 12 1 1 A 48 48 GLU C C 48 176.241 176.739 -0.498 1
1 526 . 12 1 1 A 48 48 GLU CA C 48 56.701 58.504 -1.803 1
1 527 . 12 1 1 A 48 48 GLU CB C 48 32.966 30.902 2.064 1
1 529 . 12 1 1 A 48 48 GLU N N 48 124.835 123.741 1.094 1
1 530 . 12 1 1 A 49 49 SER H H 49 8.130 7.313 0.817 1
1 531 . 12 1 1 A 49 49 SER HA H 49 4.726 4.634 0.092 1
1 534 . 12 1 1 A 49 49 SER C C 49 171.371 171.495 -0.124 1
1 535 . 12 1 1 A 49 49 SER CA C 49 57.440 57.330 0.110 1
1 536 . 12 1 1 A 49 49 SER CB C 49 66.073 65.287 0.786 1
1 537 . 12 1 1 A 49 49 SER N N 49 114.231 111.345 2.886 1
1 538 . 12 1 1 A 50 50 TYR H H 50 8.681 8.414 0.267 1
1 539 . 12 1 1 A 50 50 TYR HA H 50 5.057 5.395 -0.338 1
1 546 . 12 1 1 A 50 50 TYR C C 50 174.034 174.350 -0.316 1
1 547 . 12 1 1 A 50 50 TYR CA C 50 57.434 56.298 1.136 1
1 548 . 12 1 1 A 50 50 TYR CB C 50 41.437 39.976 1.461 1
1 553 . 12 1 1 A 50 50 TYR N N 50 115.301 118.693 -3.392 1
1 554 . 12 1 1 A 51 51 GLN H H 51 9.200 9.051 0.149 1
1 555 . 12 1 1 A 51 51 GLN HA H 51 5.144 4.546 0.598 1
1 562 . 12 1 1 A 51 51 GLN C C 51 173.878 174.693 -0.815 1
1 563 . 12 1 1 A 51 51 GLN CA C 51 53.669 55.557 -1.888 1
1 564 . 12 1 1 A 51 51 GLN CB C 51 32.783 29.092 3.691 1
1 566 . 12 1 1 A 51 51 GLN N N 51 119.842 124.602 -4.760 1
1 568 . 12 1 1 A 52 52 ILE H H 52 9.441 8.879 0.562 1
1 569 . 12 1 1 A 52 52 ILE HA H 52 4.803 4.889 -0.086 1
1 579 . 12 1 1 A 52 52 ILE C C 52 174.953 174.835 0.118 1
1 580 . 12 1 1 A 52 52 ILE CA C 52 61.054 60.980 0.074 1
1 581 . 12 1 1 A 52 52 ILE CB C 52 39.108 37.268 1.840 1
1 585 . 12 1 1 A 52 52 ILE N N 52 128.547 128.388 0.159 1
1 586 . 12 1 1 A 53 53 ARG H H 53 9.169 8.941 0.228 1
1 587 . 12 1 1 A 53 53 ARG HA H 53 5.628 5.166 0.462 1
1 594 . 12 1 1 A 53 53 ARG C C 53 174.869 175.541 -0.672 1
1 595 . 12 1 1 A 53 53 ARG CA C 53 54.479 55.300 -0.821 1
1 596 . 12 1 1 A 53 53 ARG CB C 53 33.942 31.449 2.493 1
1 599 . 12 1 1 A 53 53 ARG N N 53 127.779 129.246 -1.467 1
1 600 . 12 1 1 A 54 54 TYR H H 54 8.671 8.423 0.248 1
1 601 . 12 1 1 A 54 54 TYR HA H 54 6.310 6.057 0.253 1
1 608 . 12 1 1 A 54 54 TYR C C 54 173.965 173.654 0.311 1
1 609 . 12 1 1 A 54 54 TYR CA C 54 55.291 55.967 -0.676 1
1 610 . 12 1 1 A 54 54 TYR CB C 54 41.930 41.916 0.014 1
1 615 . 12 1 1 A 54 54 TYR N N 54 117.929 121.696 -3.767 1
1 616 . 12 1 1 A 55 55 TRP H H 55 8.928 8.886 0.042 1
1 617 . 12 1 1 A 55 55 TRP HA H 55 5.054 5.478 -0.424 1
1 626 . 12 1 1 A 55 55 TRP C C 55 172.613 174.588 -1.975 1
1 627 . 12 1 1 A 55 55 TRP CA C 55 56.577 55.567 1.010 1
1 628 . 12 1 1 A 55 55 TRP CB C 55 32.118 32.427 -0.309 1
1 634 . 12 1 1 A 55 55 TRP N N 55 121.459 119.096 2.363 1
1 636 . 12 1 1 A 56 56 ALA H H 56 8.870 8.570 0.300 1
1 637 . 12 1 1 A 56 56 ALA HA H 56 4.053 4.176 -0.123 1
1 641 . 12 1 1 A 56 56 ALA C C 56 179.868 178.427 1.441 1
1 642 . 12 1 1 A 56 56 ALA CA C 56 50.478 52.225 -1.747 1
1 643 . 12 1 1 A 56 56 ALA CB C 56 19.108 18.613 0.495 1
1 644 . 12 1 1 A 56 56 ALA N N 56 124.214 124.544 -0.330 1
1 645 . 12 1 1 A 57 57 ALA H H 57 8.147 8.797 -0.650 1
1 646 . 12 1 1 A 57 57 ALA HA H 57 3.913 4.351 -0.438 1
1 650 . 12 1 1 A 57 57 ALA C C 57 178.479 180.152 -1.673 1
1 651 . 12 1 1 A 57 57 ALA CA C 57 54.832 55.873 -1.041 1
1 652 . 12 1 1 A 57 57 ALA CB C 57 19.317 18.352 0.965 1
1 653 . 12 1 1 A 57 57 ALA N N 57 120.999 125.764 -4.765 1
1 654 . 12 1 1 A 58 58 HIS H H 58 7.274 8.293 -1.019 1
1 655 . 12 1 1 A 58 58 HIS HA H 58 4.605 4.395 0.210 1
1 660 . 12 1 1 A 58 58 HIS C C 58 175.349 175.707 -0.358 1
1 661 . 12 1 1 A 58 58 HIS CA C 58 56.066 58.764 -2.698 1
1 662 . 12 1 1 A 58 58 HIS CB C 58 29.780 28.867 0.913 1
1 665 . 12 1 1 A 58 58 HIS N N 58 109.961 115.185 -5.224 1
1 666 . 12 1 1 A 59 59 ASP H H 59 7.945 7.515 0.430 1
1 667 . 12 1 1 A 59 59 ASP HA H 59 4.869 4.537 0.332 1
1 670 . 12 1 1 A 59 59 ASP C C 59 175.895 175.449 0.446 1
1 671 . 12 1 1 A 59 59 ASP CA C 59 53.898 54.221 -0.323 1
1 672 . 12 1 1 A 59 59 ASP CB C 59 42.385 41.656 0.729 1
1 673 . 12 1 1 A 59 59 ASP N N 59 123.825 120.959 2.866 1
1 674 . 12 1 1 A 60 60 LYS H H 60 8.147 8.563 -0.416 1
1 675 . 12 1 1 A 60 60 LYS HA H 60 4.197 4.524 -0.327 1
1 682 . 12 1 1 A 60 60 LYS C C 60 177.212 177.518 -0.306 1
1 683 . 12 1 1 A 60 60 LYS CA C 60 56.121 54.438 1.683 1
1 684 . 12 1 1 A 60 60 LYS CB C 60 32.951 34.528 -1.577 1
1 688 . 12 1 1 A 60 60 LYS N N 60 117.803 120.090 -2.287 1
1 689 . 12 1 1 A 61 61 GLU H H 61 8.381 8.666 -0.285 1
1 690 . 12 1 1 A 61 61 GLU HA H 61 2.603 3.138 -0.535 1
1 695 . 12 1 1 A 61 61 GLU C C 61 178.058 178.028 0.030 1
1 696 . 12 1 1 A 61 61 GLU CA C 61 58.622 58.786 -0.164 1
1 697 . 12 1 1 A 61 61 GLU CB C 61 28.709 28.760 -0.051 1
1 699 . 12 1 1 A 61 61 GLU N N 61 122.310 122.216 0.094 1
1 700 . 12 1 1 A 62 62 GLU H H 62 8.470 8.721 -0.251 1
1 701 . 12 1 1 A 62 62 GLU HA H 62 3.919 3.984 -0.065 1
1 706 . 12 1 1 A 62 62 GLU C C 62 176.293 177.486 -1.193 1
1 707 . 12 1 1 A 62 62 GLU CA C 62 57.899 59.056 -1.157 1
1 708 . 12 1 1 A 62 62 GLU CB C 62 28.796 28.977 -0.181 1
1 710 . 12 1 1 A 62 62 GLU N N 62 117.600 117.823 -0.223 1
1 711 . 12 1 1 A 63 63 ALA H H 63 7.760 7.412 0.348 1
1 712 . 12 1 1 A 63 63 ALA HA H 63 4.443 4.391 0.052 1
1 716 . 12 1 1 A 63 63 ALA C C 63 176.867 177.398 -0.531 1
1 717 . 12 1 1 A 63 63 ALA CA C 63 51.095 51.584 -0.489 1
1 718 . 12 1 1 A 63 63 ALA CB C 63 18.845 19.043 -0.198 1
1 719 . 12 1 1 A 63 63 ALA N N 63 123.067 120.686 2.381 1
1 720 . 12 1 1 A 64 64 ALA H H 64 7.389 7.313 0.076 1
1 721 . 12 1 1 A 64 64 ALA HA H 64 4.175 4.245 -0.070 1
1 725 . 12 1 1 A 64 64 ALA C C 64 177.784 177.494 0.290 1
1 726 . 12 1 1 A 64 64 ALA CA C 64 53.099 52.327 0.772 1
1 727 . 12 1 1 A 64 64 ALA CB C 64 19.784 19.038 0.746 1
1 728 . 12 1 1 A 64 64 ALA N N 64 121.409 121.564 -0.155 1
1 729 . 12 1 1 A 65 65 ASN H H 65 8.152 8.038 0.114 1
1 730 . 12 1 1 A 65 65 ASN HA H 65 4.714 4.735 -0.021 1
1 735 . 12 1 1 A 65 65 ASN C C 65 173.533 174.465 -0.932 1
1 736 . 12 1 1 A 65 65 ASN CA C 65 52.523 53.191 -0.668 1
1 737 . 12 1 1 A 65 65 ASN CB C 65 40.739 39.151 1.588 1
1 738 . 12 1 1 A 65 65 ASN N N 65 119.620 121.164 -1.544 1
1 740 . 12 1 1 A 66 66 ARG H H 66 8.366 8.885 -0.519 1
1 741 . 12 1 1 A 66 66 ARG HA H 66 5.760 5.544 0.216 1
1 748 . 12 1 1 A 66 66 ARG C C 66 175.946 173.925 2.021 1
1 749 . 12 1 1 A 66 66 ARG CA C 66 54.902 54.937 -0.035 1
1 750 . 12 1 1 A 66 66 ARG CB C 66 34.116 33.903 0.213 1
1 753 . 12 1 1 A 66 66 ARG N N 66 116.911 117.407 -0.496 1
1 754 . 12 1 1 A 67 67 VAL H H 67 9.057 9.050 0.007 1
1 755 . 12 1 1 A 67 67 VAL HA H 67 4.520 4.735 -0.215 1
1 763 . 12 1 1 A 67 67 VAL C C 67 173.731 174.063 -0.332 1
1 764 . 12 1 1 A 67 67 VAL CA C 67 60.845 61.266 -0.421 1
1 765 . 12 1 1 A 67 67 VAL CB C 67 35.917 34.206 1.711 1
1 768 . 12 1 1 A 67 67 VAL N N 67 122.047 123.103 -1.056 1
1 769 . 12 1 1 A 68 68 GLN H H 68 8.741 9.007 -0.266 1
1 770 . 12 1 1 A 68 68 GLN HA H 68 5.543 5.009 0.534 1
1 777 . 12 1 1 A 68 68 GLN C C 68 175.452 175.178 0.274 1
1 778 . 12 1 1 A 68 68 GLN CA C 68 54.462 54.738 -0.276 1
1 779 . 12 1 1 A 68 68 GLN CB C 68 32.087 31.484 0.603 1
1 781 . 12 1 1 A 68 68 GLN N N 68 124.250 127.838 -3.588 1
1 783 . 12 1 1 A 69 69 VAL H H 69 8.912 8.803 0.109 1
1 784 . 12 1 1 A 69 69 VAL HA H 69 5.012 4.896 0.116 1
1 792 . 12 1 1 A 69 69 VAL C C 69 175.870 174.906 0.964 1
1 793 . 12 1 1 A 69 69 VAL CA C 69 59.045 59.397 -0.352 1
1 794 . 12 1 1 A 69 69 VAL CB C 69 35.106 35.515 -0.409 1
1 797 . 12 1 1 A 69 69 VAL N N 69 117.045 120.680 -3.635 1
1 798 . 12 1 1 A 70 70 THR H H 70 8.491 8.664 -0.173 1
1 799 . 12 1 1 A 70 70 THR HA H 70 4.585 4.286 0.299 1
1 804 . 12 1 1 A 70 70 THR C C 70 175.015 175.727 -0.712 1
1 805 . 12 1 1 A 70 70 THR CA C 70 62.917 62.652 0.265 1
1 806 . 12 1 1 A 70 70 THR CB C 70 70.767 69.139 1.628 1
1 808 . 12 1 1 A 70 70 THR N N 70 111.495 118.985 -7.490 1
1 809 . 12 1 1 A 71 71 SER H H 71 7.522 8.885 -1.363 1
1 810 . 12 1 1 A 71 71 SER HA H 71 4.148 4.459 -0.311 1
1 813 . 12 1 1 A 71 71 SER C C 71 174.340 176.524 -2.184 1
1 814 . 12 1 1 A 71 71 SER CA C 71 59.749 61.378 -1.629 1
1 815 . 12 1 1 A 71 71 SER CB C 71 63.060 62.712 0.348 1
1 816 . 12 1 1 A 71 71 SER N N 71 111.553 122.134 -10.581 1
1 817 . 12 1 1 A 72 72 GLN H H 72 7.718 7.682 0.036 1
1 818 . 12 1 1 A 72 72 GLN HA H 72 4.428 4.214 0.214 1
1 823 . 12 1 1 A 72 72 GLN C C 72 176.456 176.742 -0.286 1
1 824 . 12 1 1 A 72 72 GLN CA C 72 56.630 58.322 -1.692 1
1 825 . 12 1 1 A 72 72 GLN CB C 72 29.373 28.809 0.564 1
1 827 . 12 1 1 A 72 72 GLN N N 72 117.502 118.077 -0.575 1
1 829 . 12 1 1 A 73 73 GLU H H 73 7.650 7.955 -0.305 1
1 830 . 12 1 1 A 73 73 GLU HA H 73 4.408 4.545 -0.137 1
1 835 . 12 1 1 A 73 73 GLU C C 73 176.484 176.348 0.136 1
1 836 . 12 1 1 A 73 73 GLU CA C 73 56.472 55.973 0.499 1
1 837 . 12 1 1 A 73 73 GLU CB C 73 31.962 30.100 1.862 1
1 839 . 12 1 1 A 73 73 GLU N N 73 119.175 120.003 -0.828 1
1 840 . 12 1 1 A 74 74 TYR H H 74 8.615 8.870 -0.255 1
1 841 . 12 1 1 A 74 74 TYR HA H 74 3.427 4.150 -0.723 1
1 848 . 12 1 1 A 74 74 TYR C C 74 171.853 174.922 -3.069 1
1 849 . 12 1 1 A 74 74 TYR CA C 74 56.565 59.972 -3.407 1
1 850 . 12 1 1 A 74 74 TYR CB C 74 39.410 37.928 1.482 1
1 855 . 12 1 1 A 74 74 TYR N N 74 118.997 125.252 -6.255 1
1 856 . 12 1 1 A 75 75 SER H H 75 6.801 7.839 -1.038 1
1 857 . 12 1 1 A 75 75 SER HA H 75 5.001 4.269 0.732 1
1 860 . 12 1 1 A 75 75 SER C C 75 172.976 172.322 0.654 1
1 861 . 12 1 1 A 75 75 SER CA C 75 56.154 56.545 -0.391 1
1 862 . 12 1 1 A 75 75 SER CB C 75 66.541 66.479 0.062 1
1 863 . 12 1 1 A 75 75 SER N N 75 109.803 111.346 -1.543 1
1 864 . 12 1 1 A 76 76 ALA H H 76 8.897 8.860 0.037 1
1 865 . 12 1 1 A 76 76 ALA HA H 76 4.604 5.272 -0.668 1
1 869 . 12 1 1 A 76 76 ALA C C 76 174.777 175.496 -0.719 1
1 870 . 12 1 1 A 76 76 ALA CA C 76 51.359 50.653 0.706 1
1 871 . 12 1 1 A 76 76 ALA CB C 76 23.140 24.276 -1.136 1
1 872 . 12 1 1 A 76 76 ALA N N 76 120.416 123.765 -3.349 1
1 873 . 12 1 1 A 77 77 ARG H H 77 8.529 8.618 -0.089 1
1 874 . 12 1 1 A 77 77 ARG HA H 77 4.681 5.000 -0.319 1
1 881 . 12 1 1 A 77 77 ARG C C 77 174.533 174.231 0.302 1
1 882 . 12 1 1 A 77 77 ARG CA C 77 54.973 54.656 0.317 1
1 883 . 12 1 1 A 77 77 ARG CB C 77 31.839 33.955 -2.116 1
1 886 . 12 1 1 A 77 77 ARG N N 77 121.172 119.344 1.828 1
1 887 . 12 1 1 A 78 78 LEU H H 78 9.089 9.059 0.030 1
1 888 . 12 1 1 A 78 78 LEU HA H 78 4.396 4.970 -0.574 1
1 898 . 12 1 1 A 78 78 LEU C C 78 175.107 175.528 -0.421 1
1 899 . 12 1 1 A 78 78 LEU CA C 78 53.333 53.043 0.290 1
1 900 . 12 1 1 A 78 78 LEU CB C 78 41.272 44.442 -3.170 1
1 904 . 12 1 1 A 78 78 LEU N N 78 126.698 128.130 -1.432 1
1 905 . 12 1 1 A 79 79 GLU H H 79 8.239 8.719 -0.480 1
1 906 . 12 1 1 A 79 79 GLU HA H 79 5.034 5.078 -0.044 1
1 911 . 12 1 1 A 79 79 GLU C C 79 174.792 175.575 -0.783 1
1 912 . 12 1 1 A 79 79 GLU CA C 79 54.056 54.588 -0.532 1
1 913 . 12 1 1 A 79 79 GLU CB C 79 33.692 33.237 0.455 1
1 915 . 12 1 1 A 79 79 GLU N N 79 119.147 121.030 -1.883 1
1 916 . 12 1 1 A 80 80 ASN H H 80 9.068 8.683 0.385 1
1 917 . 12 1 1 A 80 80 ASN HA H 80 4.303 4.321 -0.018 1
1 922 . 12 1 1 A 80 80 ASN C C 80 174.823 173.934 0.889 1
1 923 . 12 1 1 A 80 80 ASN CA C 80 54.462 54.279 0.183 1
1 924 . 12 1 1 A 80 80 ASN CB C 80 37.359 36.973 0.386 1
1 925 . 12 1 1 A 80 80 ASN N N 80 113.324 116.478 -3.154 1
1 927 . 12 1 1 A 81 81 LEU H H 81 8.671 7.597 1.074 1
1 928 . 12 1 1 A 81 81 LEU HA H 81 4.252 4.750 -0.498 1
1 938 . 12 1 1 A 81 81 LEU C C 81 175.804 175.992 -0.188 1
1 939 . 12 1 1 A 81 81 LEU CA C 81 53.841 53.257 0.584 1
1 940 . 12 1 1 A 81 81 LEU CB C 81 40.891 43.628 -2.737 1
1 944 . 12 1 1 A 81 81 LEU N N 81 117.886 118.858 -0.972 1
1 945 . 12 1 1 A 82 82 LEU H H 82 8.448 8.728 -0.280 1
1 946 . 12 1 1 A 82 82 LEU HA H 82 4.600 4.787 -0.187 1
1 956 . 12 1 1 A 82 82 LEU C C 82 175.149 174.894 0.255 1
1 957 . 12 1 1 A 82 82 LEU CA C 82 52.629 52.911 -0.282 1
1 958 . 12 1 1 A 82 82 LEU CB C 82 42.449 41.367 1.082 1
1 962 . 12 1 1 A 82 82 LEU N N 82 121.118 122.567 -1.449 1
1 963 . 12 1 1 A 83 83 PRO HA H 83 5.237 4.392 0.845 1
1 970 . 12 1 1 A 83 83 PRO C C 83 178.145 177.362 0.783 1
1 971 . 12 1 1 A 83 83 PRO CA C 83 62.472 63.432 -0.960 1
1 972 . 12 1 1 A 83 83 PRO CB C 83 33.232 32.163 1.069 1
1 975 . 12 1 1 A 84 84 ASP H H 84 7.943 8.899 -0.956 1
1 976 . 12 1 1 A 84 84 ASP HA H 84 4.208 4.425 -0.217 1
1 979 . 12 1 1 A 84 84 ASP C C 84 174.476 174.646 -0.170 1
1 980 . 12 1 1 A 84 84 ASP CA C 84 54.250 55.027 -0.777 1
1 981 . 12 1 1 A 84 84 ASP CB C 84 41.568 39.554 2.014 1
1 982 . 12 1 1 A 84 84 ASP N N 84 126.496 121.377 5.119 1
1 983 . 12 1 1 A 85 85 THR H H 85 8.261 7.710 0.551 1
1 984 . 12 1 1 A 85 85 THR HA H 85 4.381 4.470 -0.089 1
1 989 . 12 1 1 A 85 85 THR C C 85 170.639 172.995 -2.356 1
1 990 . 12 1 1 A 85 85 THR CA C 85 62.951 61.300 1.651 1
1 991 . 12 1 1 A 85 85 THR CB C 85 72.217 71.235 0.982 1
1 993 . 12 1 1 A 85 85 THR N N 85 114.015 112.486 1.529 1
1 994 . 12 1 1 A 86 86 GLN H H 86 8.221 8.385 -0.164 1
1 995 . 12 1 1 A 86 86 GLN HA H 86 3.664 3.879 -0.215 1
1 1002 . 12 1 1 A 86 86 GLN C C 86 172.890 174.027 -1.137 1
1 1003 . 12 1 1 A 86 86 GLN CA C 86 54.585 55.740 -1.155 1
1 1004 . 12 1 1 A 86 86 GLN CB C 86 28.836 28.870 -0.034 1
1 1006 . 12 1 1 A 86 86 GLN N N 86 127.039 126.902 0.137 1
1 1008 . 12 1 1 A 87 87 TYR H H 87 8.976 8.701 0.275 1
1 1009 . 12 1 1 A 87 87 TYR HA H 87 4.583 4.657 -0.074 1
1 1016 . 12 1 1 A 87 87 TYR C C 87 173.534 174.474 -0.940 1
1 1017 . 12 1 1 A 87 87 TYR CA C 87 57.599 56.455 1.144 1
1 1018 . 12 1 1 A 87 87 TYR CB C 87 42.344 42.402 -0.058 1
1 1023 . 12 1 1 A 87 87 TYR N N 87 126.060 125.416 0.644 1
1 1024 . 12 1 1 A 88 88 PHE H H 88 8.388 8.700 -0.312 1
1 1025 . 12 1 1 A 88 88 PHE HA H 88 4.902 5.067 -0.165 1
1 1033 . 12 1 1 A 88 88 PHE C C 88 175.238 174.750 0.488 1
1 1034 . 12 1 1 A 88 88 PHE CA C 88 55.872 56.453 -0.581 1
1 1035 . 12 1 1 A 88 88 PHE CB C 88 40.284 37.355 2.929 1
1 1041 . 12 1 1 A 88 88 PHE N N 88 118.991 121.729 -2.738 1
1 1042 . 12 1 1 A 89 89 ILE H H 89 8.450 8.431 0.019 1
1 1043 . 12 1 1 A 89 89 ILE HA H 89 4.913 4.805 0.108 1
1 1053 . 12 1 1 A 89 89 ILE C C 89 174.770 175.346 -0.576 1
1 1054 . 12 1 1 A 89 89 ILE CA C 89 60.472 60.682 -0.210 1
1 1055 . 12 1 1 A 89 89 ILE CB C 89 43.167 38.617 4.550 1
1 1059 . 12 1 1 A 89 89 ILE N N 89 118.943 125.598 -6.655 1
1 1060 . 12 1 1 A 90 90 GLU H H 90 9.071 9.114 -0.043 1
1 1061 . 12 1 1 A 90 90 GLU HA H 90 4.558 4.991 -0.433 1
1 1066 . 12 1 1 A 90 90 GLU C C 90 173.981 174.584 -0.603 1
1 1067 . 12 1 1 A 90 90 GLU CA C 90 54.831 54.934 -0.103 1
1 1068 . 12 1 1 A 90 90 GLU CB C 90 35.052 33.978 1.074 1
1 1070 . 12 1 1 A 90 90 GLU N N 90 124.044 124.619 -0.575 1
1 1071 . 12 1 1 A 91 91 VAL H H 91 8.564 8.985 -0.421 1
1 1072 . 12 1 1 A 91 91 VAL HA H 91 4.968 4.616 0.352 1
1 1080 . 12 1 1 A 91 91 VAL C C 91 174.488 174.966 -0.478 1
1 1081 . 12 1 1 A 91 91 VAL CA C 91 60.525 60.297 0.228 1
1 1082 . 12 1 1 A 91 91 VAL CB C 91 34.308 33.904 0.404 1
1 1085 . 12 1 1 A 91 91 VAL N N 91 121.165 123.318 -2.153 1
1 1086 . 12 1 1 A 92 92 GLY H H 92 8.941 8.261 0.680 1
1 1087 . 12 1 1 A 92 92 GLY HA2 H 92 4.571 4.292 0.279 1
1 1088 . 12 1 1 A 92 92 GLY HA3 H 92 3.581 4.303 -0.722 1
1 1089 . 12 1 1 A 92 92 GLY C C 92 171.577 171.522 0.055 1
1 1090 . 12 1 1 A 92 92 GLY CA C 92 43.640 44.627 -0.987 1
1 1091 . 12 1 1 A 92 92 GLY N N 92 112.251 113.914 -1.663 1
1 1092 . 12 1 1 A 93 93 ALA H H 93 10.001 8.859 1.142 1
1 1093 . 12 1 1 A 93 93 ALA HA H 93 4.560 5.247 -0.687 1
1 1097 . 12 1 1 A 93 93 ALA C C 93 176.786 176.146 0.640 1
1 1098 . 12 1 1 A 93 93 ALA CA C 93 51.060 50.322 0.738 1
1 1099 . 12 1 1 A 93 93 ALA CB C 93 21.088 21.387 -0.299 1
1 1100 . 12 1 1 A 93 93 ALA N N 93 126.200 125.843 0.357 1
1 1101 . 12 1 1 A 94 94 CYS H H 94 8.739 8.216 0.523 1
1 1102 . 12 1 1 A 94 94 CYS HA H 94 5.214 5.004 0.210 1
1 1105 . 12 1 1 A 94 94 CYS C C 94 174.087 172.838 1.249 1
1 1106 . 12 1 1 A 94 94 CYS CA C 94 57.088 57.248 -0.160 1
1 1107 . 12 1 1 A 94 94 CYS CB C 94 31.345 31.517 -0.172 1
1 1108 . 12 1 1 A 94 94 CYS N N 94 118.064 118.611 -0.547 1
1 1109 . 12 1 1 A 95 95 ASN H H 95 8.968 8.370 0.598 1
1 1110 . 12 1 1 A 95 95 ASN HA H 95 4.593 5.017 -0.424 1
1 1115 . 12 1 1 A 95 95 ASN C C 95 176.009 176.029 -0.020 1
1 1116 . 12 1 1 A 95 95 ASN CA C 95 52.981 51.015 1.966 1
1 1117 . 12 1 1 A 95 95 ASN CB C 95 39.336 40.453 -1.117 1
1 1118 . 12 1 1 A 95 95 ASN N N 95 121.604 120.163 1.441 1
1 1120 . 12 1 1 A 96 96 SER H H 96 8.483 8.930 -0.447 1
1 1121 . 12 1 1 A 96 96 SER HA H 96 4.085 4.096 -0.011 1
1 1124 . 12 1 1 A 96 96 SER C C 96 174.700 176.260 -1.560 1
1 1125 . 12 1 1 A 96 96 SER CA C 96 61.600 61.196 0.404 1
1 1126 . 12 1 1 A 96 96 SER CB C 96 62.794 62.595 0.199 1
1 1127 . 12 1 1 A 96 96 SER N N 96 113.664 116.567 -2.903 1
1 1128 . 12 1 1 A 97 97 ALA H H 97 8.187 7.520 0.667 1
1 1129 . 12 1 1 A 97 97 ALA HA H 97 4.357 4.152 0.205 1
1 1133 . 12 1 1 A 97 97 ALA C C 97 177.600 176.696 0.904 1
1 1134 . 12 1 1 A 97 97 ALA CA C 97 52.681 55.145 -2.464 1
1 1135 . 12 1 1 A 97 97 ALA CB C 97 19.192 19.082 0.110 1
1 1136 . 12 1 1 A 97 97 ALA N N 97 123.374 121.621 1.753 1
1 1137 . 12 1 1 A 98 98 GLY H H 98 7.800 8.231 -0.431 1
1 1138 . 12 1 1 A 98 98 GLY HA2 H 98 4.444 4.148 0.296 1
1 1139 . 12 1 1 A 98 98 GLY HA3 H 98 3.840 4.149 -0.309 1
1 1140 . 12 1 1 A 98 98 GLY C C 98 171.071 172.058 -0.987 1
1 1141 . 12 1 1 A 98 98 GLY CA C 98 44.809 43.856 0.953 1
1 1142 . 12 1 1 A 98 98 GLY N N 98 106.029 104.486 1.543 1
1 1143 . 12 1 1 A 99 99 CYS H H 99 8.399 8.688 -0.289 1
1 1144 . 12 1 1 A 99 99 CYS HA H 99 4.891 5.230 -0.339 1
1 1147 . 12 1 1 A 99 99 CYS C C 99 175.557 174.310 1.247 1
1 1148 . 12 1 1 A 99 99 CYS CA C 99 57.670 57.529 0.141 1
1 1149 . 12 1 1 A 99 99 CYS CB C 99 29.469 30.056 -0.587 1
1 1150 . 12 1 1 A 99 99 CYS N N 99 117.855 119.394 -1.539 1
1 1151 . 12 1 1 A 100 100 GLY H H 100 8.930 8.623 0.307 1
1 1152 . 12 1 1 A 100 100 GLY HA2 H 100 4.282 4.362 -0.080 1
1 1153 . 12 1 1 A 100 100 GLY HA3 H 100 3.764 4.370 -0.606 1
1 1154 . 12 1 1 A 100 100 GLY C C 100 170.974 171.694 -0.720 1
1 1155 . 12 1 1 A 100 100 GLY CA C 100 45.578 44.141 1.437 1
1 1156 . 12 1 1 A 100 100 GLY N N 100 113.025 112.295 0.730 1
1 1157 . 12 1 1 A 101 101 PRO HA H 101 4.616 4.641 -0.025 1
1 1164 . 12 1 1 A 101 101 PRO CA C 101 60.598 62.157 -1.559 1
1 1165 . 12 1 1 A 101 101 PRO CB C 101 30.874 31.769 -0.895 1
1 1168 . 12 1 1 A 102 102 PRO HA H 102 4.659 4.593 0.066 1
1 1175 . 12 1 1 A 102 102 PRO C C 102 178.078 176.423 1.655 1
1 1176 . 12 1 1 A 102 102 PRO CA C 102 62.111 62.295 -0.184 1
1 1177 . 12 1 1 A 102 102 PRO CB C 102 32.383 32.649 -0.266 1
1 1180 . 12 1 1 A 103 103 SER H H 103 8.732 7.994 0.738 1
1 1181 . 12 1 1 A 103 103 SER HA H 103 4.222 4.746 -0.524 1
1 1184 . 12 1 1 A 103 103 SER C C 103 173.155 174.117 -0.962 1
1 1185 . 12 1 1 A 103 103 SER CA C 103 58.321 56.922 1.399 1
1 1186 . 12 1 1 A 103 103 SER CB C 103 65.815 65.492 0.323 1
1 1187 . 12 1 1 A 103 103 SER N N 103 113.387 114.308 -0.921 1
1 1188 . 12 1 1 A 104 104 ASP H H 104 8.248 8.730 -0.482 1
1 1189 . 12 1 1 A 104 104 ASP HA H 104 4.472 4.534 -0.062 1
1 1192 . 12 1 1 A 104 104 ASP C C 104 176.703 176.624 0.079 1
1 1193 . 12 1 1 A 104 104 ASP CA C 104 55.573 55.008 0.565 1
1 1194 . 12 1 1 A 104 104 ASP CB C 104 40.583 41.211 -0.628 1
1 1195 . 12 1 1 A 104 104 ASP N N 104 119.021 121.257 -2.236 1
1 1196 . 12 1 1 A 105 105 MET H H 105 8.460 8.540 -0.080 1
1 1197 . 12 1 1 A 105 105 MET HA H 105 4.542 4.753 -0.211 1
1 1205 . 12 1 1 A 105 105 MET C C 105 175.687 175.099 0.588 1
1 1206 . 12 1 1 A 105 105 MET CA C 105 56.348 55.327 1.021 1
1 1207 . 12 1 1 A 105 105 MET CB C 105 33.610 32.881 0.729 1
1 1210 . 12 1 1 A 105 105 MET N N 105 124.915 122.851 2.064 1
1 1211 . 12 1 1 A 106 106 ILE H H 106 8.914 8.523 0.391 1
1 1212 . 12 1 1 A 106 106 ILE HA H 106 4.571 4.802 -0.231 1
1 1222 . 12 1 1 A 106 106 ILE C C 106 173.498 175.789 -2.291 1
1 1223 . 12 1 1 A 106 106 ILE CA C 106 59.185 60.340 -1.155 1
1 1224 . 12 1 1 A 106 106 ILE CB C 106 40.786 39.487 1.299 1
1 1228 . 12 1 1 A 106 106 ILE N N 106 126.141 127.239 -1.098 1
1 1229 . 12 1 1 A 107 107 GLU H H 107 7.999 8.967 -0.968 1
1 1230 . 12 1 1 A 107 107 GLU HA H 107 5.373 5.049 0.324 1
1 1235 . 12 1 1 A 107 107 GLU C C 107 175.263 175.066 0.197 1
1 1236 . 12 1 1 A 107 107 GLU CA C 107 53.343 54.612 -1.269 1
1 1237 . 12 1 1 A 107 107 GLU CB C 107 32.951 32.846 0.105 1
1 1239 . 12 1 1 A 107 107 GLU N N 107 121.346 123.303 -1.957 1
1 1240 . 12 1 1 A 108 108 ALA H H 108 8.685 8.780 -0.095 1
1 1241 . 12 1 1 A 108 108 ALA HA H 108 4.549 5.332 -0.783 1
1 1245 . 12 1 1 A 108 108 ALA C C 108 174.431 175.716 -1.285 1
1 1246 . 12 1 1 A 108 108 ALA CA C 108 51.113 50.588 0.525 1
1 1247 . 12 1 1 A 108 108 ALA CB C 108 23.724 23.598 0.126 1
1 1248 . 12 1 1 A 108 108 ALA N N 108 123.009 122.589 0.420 1
1 1249 . 12 1 1 A 109 109 PHE H H 109 8.519 9.165 -0.646 1
1 1250 . 12 1 1 A 109 109 PHE HA H 109 5.481 5.092 0.389 1
1 1258 . 12 1 1 A 109 109 PHE C C 109 177.604 175.852 1.752 1
1 1259 . 12 1 1 A 109 109 PHE CA C 109 55.854 56.482 -0.628 1
1 1260 . 12 1 1 A 109 109 PHE CB C 109 41.019 40.357 0.662 1
1 1266 . 12 1 1 A 109 109 PHE N N 109 119.997 118.565 1.432 1
1 1267 . 12 1 1 A 110 110 THR H H 110 8.839 8.851 -0.012 1
1 1268 . 12 1 1 A 110 110 THR HA H 110 4.103 4.476 -0.373 1
1 1273 . 12 1 1 A 110 110 THR C C 110 175.354 174.267 1.087 1
1 1274 . 12 1 1 A 110 110 THR CA C 110 61.763 61.840 -0.077 1
1 1275 . 12 1 1 A 110 110 THR CB C 110 69.356 70.579 -1.223 1
1 1277 . 12 1 1 A 110 110 THR N N 110 112.067 117.007 -4.940 1
1 1278 . 12 1 1 A 111 111 LYS H H 111 6.542 8.445 -1.903 1
1 1279 . 12 1 1 A 111 111 LYS HA H 111 4.208 4.345 -0.137 1
1 1288 . 12 1 1 A 111 111 LYS C C 111 176.693 177.224 -0.531 1
1 1289 . 12 1 1 A 111 111 LYS CA C 111 56.383 56.013 0.370 1
1 1290 . 12 1 1 A 111 111 LYS CB C 111 33.447 33.113 0.334 1
1 1294 . 12 1 1 A 111 111 LYS N N 111 116.497 121.546 -5.049 1
1 1295 . 12 1 1 A 112 112 LYS H H 112 8.230 8.569 -0.339 1
1 1296 . 12 1 1 A 112 112 LYS HA H 112 4.143 4.464 -0.321 1
1 1304 . 12 1 1 A 112 112 LYS C C 112 176.823 176.562 0.261 1
1 1305 . 12 1 1 A 112 112 LYS CA C 112 57.229 56.239 0.990 1
1 1306 . 12 1 1 A 112 112 LYS CB C 112 33.528 33.300 0.228 1
1 1310 . 12 1 1 A 112 112 LYS N N 112 118.783 121.722 -2.939 1
1 1311 . 12 1 1 A 113 113 ALA H H 113 8.762 8.400 0.362 1
1 1312 . 12 1 1 A 113 113 ALA HA H 113 4.338 4.375 -0.037 1
1 1316 . 12 1 1 A 113 113 ALA C C 113 177.688 176.740 0.948 1
1 1317 . 12 1 1 A 113 113 ALA CA C 113 52.417 53.046 -0.629 1
1 1318 . 12 1 1 A 113 113 ALA CB C 113 19.272 19.111 0.161 1
1 1319 . 12 1 1 A 113 113 ALA N N 113 124.432 127.959 -3.527 1
1 1320 . 12 1 1 A 114 114 SER H H 114 8.386 8.677 -0.291 1
1 1321 . 12 1 1 A 114 114 SER HA H 114 4.487 4.756 -0.269 1
1 1324 . 12 1 1 A 114 114 SER C C 114 174.474 174.326 0.148 1
1 1325 . 12 1 1 A 114 114 SER CA C 114 58.063 56.717 1.346 1
1 1326 . 12 1 1 A 114 114 SER CB C 114 64.012 64.345 -0.333 1
1 1327 . 12 1 1 A 114 114 SER N N 114 115.798 118.272 -2.474 1
1 1328 . 12 1 1 A 115 115 GLY H H 115 8.278 8.744 -0.466 1
1 1329 . 12 1 1 A 115 115 GLY HA2 H 115 4.172 4.136 0.036 1
1 1330 . 12 1 1 A 115 115 GLY HA3 H 115 4.094 4.136 -0.042 1
1 1331 . 12 1 1 A 115 115 GLY C C 115 171.799 173.284 -1.485 1
1 1332 . 12 1 1 A 115 115 GLY CA C 115 44.662 44.500 0.162 1
1 1333 . 12 1 1 A 115 115 GLY N N 115 110.600 117.035 -6.435 1
1 1334 . 12 1 1 A 116 116 PRO HA H 116 4.472 4.575 -0.103 1
1 1341 . 12 1 1 A 116 116 PRO C C 116 177.440 176.605 0.835 1
1 1342 . 12 1 1 A 116 116 PRO CA C 116 63.275 62.701 0.574 1
1 1343 . 12 1 1 A 116 116 PRO CB C 116 32.169 32.092 0.077 1
1 1346 . 12 1 1 A 117 117 SER HA H 117 4.505 4.758 -0.253 1
1 1348 . 12 1 1 A 117 117 SER C C 117 174.652 173.602 1.050 1
1 1349 . 12 1 1 A 117 117 SER CA C 117 58.393 57.438 0.955 1
1 1350 . 12 1 1 A 117 117 SER CB C 117 63.899 64.061 -0.162 1
1 1351 . 12 1 1 A 117 117 SER N N 117 116.140 115.085 1.055 1
1 1352 . 12 1 1 A 118 118 SER H H 118 8.314 8.825 -0.511 1
1 1353 . 12 1 1 A 118 118 SER HA H 118 4.494 4.812 -0.318 1
1 1355 . 12 1 1 A 118 118 SER C C 118 173.938 173.396 0.542 1
1 1356 . 12 1 1 A 118 118 SER CA C 118 58.428 56.602 1.826 1
1 1357 . 12 1 1 A 118 118 SER CB C 118 63.929 64.533 -0.604 1
1 1358 . 12 1 1 A 118 118 SER N N 118 117.760 121.978 -4.218 1
1 6 . 13 1 1 A 4 4 GLY H H 4 8.507 8.489 0.018 1
1 7 . 13 1 1 A 4 4 GLY HA2 H 4 4.513 4.148 0.365 1
1 8 . 13 1 1 A 4 4 GLY HA3 H 4 3.859 4.149 -0.290 1
1 9 . 13 1 1 A 4 4 GLY CA C 4 44.199 44.975 -0.776 1
1 10 . 13 1 1 A 4 4 GLY N N 4 116.148 113.633 2.515 1
1 11 . 13 1 1 A 6 6 SER HA H 6 4.472 5.168 -0.696 1
1 13 . 13 1 1 A 6 6 SER C C 6 174.998 173.081 1.917 1
1 14 . 13 1 1 A 6 6 SER CA C 6 58.657 56.348 2.309 1
1 15 . 13 1 1 A 6 6 SER CB C 6 64.025 66.118 -2.093 1
1 16 . 13 1 1 A 7 7 GLY H H 7 8.399 8.853 -0.454 1
1 17 . 13 1 1 A 7 7 GLY HA2 H 7 3.963 4.121 -0.158 1
1 18 . 13 1 1 A 7 7 GLY HA3 H 7 3.963 4.121 -0.158 1
1 19 . 13 1 1 A 7 7 GLY C C 7 173.942 172.540 1.402 1
1 20 . 13 1 1 A 7 7 GLY CA C 7 45.332 45.210 0.122 1
1 21 . 13 1 1 A 7 7 GLY N N 7 110.856 112.285 -1.429 1
1 22 . 13 1 1 A 8 8 VAL H H 8 7.919 8.933 -1.014 1
1 23 . 13 1 1 A 8 8 VAL HA H 8 4.101 4.836 -0.735 1
1 31 . 13 1 1 A 8 8 VAL C C 8 175.827 174.844 0.983 1
1 32 . 13 1 1 A 8 8 VAL CA C 8 61.987 61.202 0.785 1
1 33 . 13 1 1 A 8 8 VAL CB C 8 32.786 33.470 -0.684 1
1 36 . 13 1 1 A 8 8 VAL N N 8 119.305 126.355 -7.050 1
1 37 . 13 1 1 A 9 9 ALA H H 9 8.367 8.713 -0.346 1
1 38 . 13 1 1 A 9 9 ALA HA H 9 4.329 4.946 -0.617 1
1 42 . 13 1 1 A 9 9 ALA C C 9 177.422 175.138 2.284 1
1 43 . 13 1 1 A 9 9 ALA CA C 9 52.399 51.857 0.542 1
1 44 . 13 1 1 A 9 9 ALA CB C 9 19.317 22.700 -3.383 1
1 45 . 13 1 1 A 9 9 ALA N N 9 128.175 128.504 -0.329 1
1 46 . 13 1 1 A 10 10 VAL H H 10 8.154 8.846 -0.692 1
1 47 . 13 1 1 A 10 10 VAL HA H 10 4.046 4.522 -0.476 1
1 55 . 13 1 1 A 10 10 VAL C C 10 176.076 177.715 -1.639 1
1 56 . 13 1 1 A 10 10 VAL CA C 10 62.288 60.079 2.209 1
1 57 . 13 1 1 A 10 10 VAL CB C 10 32.786 33.945 -1.159 1
1 60 . 13 1 1 A 10 10 VAL N N 10 120.641 122.936 -2.295 1
1 61 . 13 1 1 A 11 11 ILE H H 11 8.261 8.614 -0.353 1
1 62 . 13 1 1 A 11 11 ILE HA H 11 4.148 3.904 0.244 1
1 72 . 13 1 1 A 11 11 ILE C C 11 175.857 175.891 -0.034 1
1 73 . 13 1 1 A 11 11 ILE CA C 11 60.842 63.168 -2.326 1
1 74 . 13 1 1 A 11 11 ILE CB C 11 38.776 37.679 1.097 1
1 78 . 13 1 1 A 11 11 ILE N N 11 125.253 124.347 0.906 1
1 79 . 13 1 1 A 12 12 ASN H H 12 8.575 7.693 0.882 1
1 80 . 13 1 1 A 12 12 ASN HA H 12 4.737 4.585 0.152 1
1 85 . 13 1 1 A 12 12 ASN C C 12 175.004 174.064 0.940 1
1 86 . 13 1 1 A 12 12 ASN CA C 12 53.087 53.837 -0.750 1
1 87 . 13 1 1 A 12 12 ASN CB C 12 39.076 38.733 0.343 1
1 88 . 13 1 1 A 12 12 ASN N N 12 123.538 122.898 0.640 1
1 90 . 13 1 1 A 13 13 SER H H 13 8.317 8.933 -0.616 1
1 91 . 13 1 1 A 13 13 SER HA H 13 4.373 5.148 -0.775 1
1 94 . 13 1 1 A 13 13 SER C C 13 174.118 173.071 1.047 1
1 95 . 13 1 1 A 13 13 SER CA C 13 58.375 55.947 2.428 1
1 96 . 13 1 1 A 13 13 SER CB C 13 63.866 66.308 -2.442 1
1 97 . 13 1 1 A 13 13 SER N N 13 116.982 122.016 -5.034 1
1 98 . 13 1 1 A 14 14 ALA H H 14 8.317 8.548 -0.231 1
1 99 . 13 1 1 A 14 14 ALA HA H 14 4.285 4.599 -0.314 1
1 103 . 13 1 1 A 14 14 ALA C C 14 177.298 178.236 -0.938 1
1 104 . 13 1 1 A 14 14 ALA CA C 14 52.628 50.904 1.724 1
1 105 . 13 1 1 A 14 14 ALA CB C 14 19.192 20.817 -1.625 1
1 106 . 13 1 1 A 14 14 ALA N N 14 125.606 124.794 0.812 1
1 107 . 13 1 1 A 15 15 GLN H H 15 8.221 8.766 -0.545 1
1 108 . 13 1 1 A 15 15 GLN HA H 15 4.237 4.369 -0.132 1
1 115 . 13 1 1 A 15 15 GLN C C 15 174.741 175.406 -0.665 1
1 116 . 13 1 1 A 15 15 GLN CA C 15 55.925 56.868 -0.943 1
1 117 . 13 1 1 A 15 15 GLN CB C 15 29.990 28.993 0.997 1
1 119 . 13 1 1 A 15 15 GLN N N 15 119.248 118.251 0.997 1
1 121 . 13 1 1 A 16 16 ASP H H 16 7.898 7.828 0.070 1
1 122 . 13 1 1 A 16 16 ASP HA H 16 4.714 5.047 -0.333 1
1 125 . 13 1 1 A 16 16 ASP C C 16 175.219 173.989 1.230 1
1 126 . 13 1 1 A 16 16 ASP CA C 16 53.387 53.131 0.256 1
1 127 . 13 1 1 A 16 16 ASP CB C 16 42.771 45.012 -2.241 1
1 128 . 13 1 1 A 16 16 ASP N N 16 119.674 117.697 1.977 1
1 129 . 13 1 1 A 17 17 ALA H H 17 8.256 8.190 0.066 1
1 130 . 13 1 1 A 17 17 ALA HA H 17 4.549 4.880 -0.331 1
1 134 . 13 1 1 A 17 17 ALA C C 17 174.226 174.150 0.076 1
1 135 . 13 1 1 A 17 17 ALA CA C 17 50.514 49.708 0.806 1
1 136 . 13 1 1 A 17 17 ALA CB C 17 16.689 22.476 -5.787 1
1 137 . 13 1 1 A 17 17 ALA N N 17 123.830 121.878 1.952 1
1 138 . 13 1 1 A 18 18 PRO HA H 18 4.247 4.741 -0.494 1
1 145 . 13 1 1 A 18 18 PRO CA C 18 63.135 62.845 0.290 1
1 146 . 13 1 1 A 18 18 PRO CB C 18 31.866 32.148 -0.282 1
1 149 . 13 1 1 A 19 19 SER HA H 19 4.524 4.623 -0.099 1
1 152 . 13 1 1 A 19 19 SER C C 19 173.934 173.897 0.037 1
1 153 . 13 1 1 A 19 19 SER CA C 19 58.657 58.485 0.172 1
1 154 . 13 1 1 A 19 19 SER CB C 19 65.246 64.776 0.470 1
1 155 . 13 1 1 A 20 20 GLU H H 20 7.589 7.690 -0.101 1
1 156 . 13 1 1 A 20 20 GLU HA H 20 4.604 4.860 -0.256 1
1 161 . 13 1 1 A 20 20 GLU C C 20 175.082 175.000 0.082 1
1 162 . 13 1 1 A 20 20 GLU CA C 20 54.762 55.636 -0.874 1
1 163 . 13 1 1 A 20 20 GLU CB C 20 33.405 31.998 1.407 1
1 165 . 13 1 1 A 20 20 GLU N N 20 121.739 122.385 -0.646 1
1 166 . 13 1 1 A 21 21 ALA H H 21 8.564 8.808 -0.244 1
1 167 . 13 1 1 A 21 21 ALA HA H 21 4.995 4.898 0.097 1
1 171 . 13 1 1 A 21 21 ALA C C 21 175.731 175.357 0.374 1
1 172 . 13 1 1 A 21 21 ALA CA C 21 49.341 49.473 -0.132 1
1 173 . 13 1 1 A 21 21 ALA CB C 21 19.388 20.912 -1.524 1
1 174 . 13 1 1 A 21 21 ALA N N 21 125.054 126.952 -1.898 1
1 175 . 13 1 1 A 22 22 PRO HA H 22 4.529 4.884 -0.355 1
1 182 . 13 1 1 A 22 22 PRO C C 22 174.830 176.651 -1.821 1
1 183 . 13 1 1 A 22 22 PRO CA C 22 63.076 62.588 0.488 1
1 184 . 13 1 1 A 22 22 PRO CB C 22 32.294 30.822 1.472 1
1 187 . 13 1 1 A 23 23 THR H H 23 7.442 8.559 -1.117 1
1 188 . 13 1 1 A 23 23 THR HA H 23 4.663 4.538 0.125 1
1 193 . 13 1 1 A 23 23 THR C C 23 172.878 174.824 -1.946 1
1 194 . 13 1 1 A 23 23 THR CA C 23 59.961 61.799 -1.838 1
1 195 . 13 1 1 A 23 23 THR CB C 23 72.337 69.906 2.431 1
1 197 . 13 1 1 A 23 23 THR N N 23 109.039 118.181 -9.142 1
1 198 . 13 1 1 A 24 24 GLU H H 24 8.782 8.937 -0.155 1
1 199 . 13 1 1 A 24 24 GLU HA H 24 3.911 3.857 0.054 1
1 204 . 13 1 1 A 24 24 GLU C C 24 175.816 174.807 1.009 1
1 205 . 13 1 1 A 24 24 GLU CA C 24 56.172 57.285 -1.113 1
1 206 . 13 1 1 A 24 24 GLU CB C 24 27.761 27.968 -0.207 1
1 208 . 13 1 1 A 24 24 GLU N N 24 115.227 119.121 -3.894 1
1 209 . 13 1 1 A 25 25 VAL H H 25 8.030 7.945 0.085 1
1 210 . 13 1 1 A 25 25 VAL HA H 25 4.891 4.878 0.013 1
1 218 . 13 1 1 A 25 25 VAL C C 25 177.065 175.101 1.964 1
1 219 . 13 1 1 A 25 25 VAL CA C 25 62.446 61.557 0.889 1
1 220 . 13 1 1 A 25 25 VAL CB C 25 31.471 33.301 -1.830 1
1 223 . 13 1 1 A 25 25 VAL N N 25 119.529 118.976 0.553 1
1 224 . 13 1 1 A 26 26 GLY H H 26 8.796 8.806 -0.010 1
1 225 . 13 1 1 A 26 26 GLY HA2 H 26 4.420 4.448 -0.028 1
1 226 . 13 1 1 A 26 26 GLY HA3 H 26 3.646 4.457 -0.811 1
1 227 . 13 1 1 A 26 26 GLY C C 26 170.874 173.205 -2.331 1
1 228 . 13 1 1 A 26 26 GLY CA C 26 44.468 44.087 0.381 1
1 229 . 13 1 1 A 26 26 GLY N N 26 114.560 114.771 -0.211 1
1 230 . 13 1 1 A 27 27 VAL H H 27 8.332 8.861 -0.529 1
1 231 . 13 1 1 A 27 27 VAL HA H 27 5.508 5.261 0.247 1
1 239 . 13 1 1 A 27 27 VAL C C 27 175.652 173.829 1.823 1
1 240 . 13 1 1 A 27 27 VAL CA C 27 58.279 59.864 -1.585 1
1 241 . 13 1 1 A 27 27 VAL CB C 27 36.230 34.825 1.405 1
1 244 . 13 1 1 A 27 27 VAL N N 27 110.792 116.525 -5.733 1
1 245 . 13 1 1 A 28 28 LYS H H 28 9.143 9.154 -0.011 1
1 246 . 13 1 1 A 28 28 LYS HA H 28 4.550 5.051 -0.501 1
1 254 . 13 1 1 A 28 28 LYS C C 28 175.150 175.549 -0.399 1
1 255 . 13 1 1 A 28 28 LYS CA C 28 55.396 54.921 0.475 1
1 256 . 13 1 1 A 28 28 LYS CB C 28 35.134 35.205 -0.071 1
1 260 . 13 1 1 A 28 28 LYS N N 28 123.314 125.617 -2.303 1
1 261 . 13 1 1 A 29 29 VAL H H 29 9.190 8.948 0.242 1
1 262 . 13 1 1 A 29 29 VAL HA H 29 3.939 4.002 -0.063 1
1 270 . 13 1 1 A 29 29 VAL C C 29 176.162 175.497 0.665 1
1 271 . 13 1 1 A 29 29 VAL CA C 29 64.332 63.365 0.967 1
1 272 . 13 1 1 A 29 29 VAL CB C 29 31.417 31.157 0.260 1
1 275 . 13 1 1 A 29 29 VAL N N 29 127.176 127.315 -0.139 1
1 276 . 13 1 1 A 30 30 LEU H H 30 8.108 8.807 -0.699 1
1 277 . 13 1 1 A 30 30 LEU HA H 30 4.375 4.317 0.058 1
1 287 . 13 1 1 A 30 30 LEU C C 30 177.477 176.573 0.904 1
1 288 . 13 1 1 A 30 30 LEU CA C 30 55.886 56.366 -0.480 1
1 289 . 13 1 1 A 30 30 LEU CB C 30 42.498 42.383 0.115 1
1 293 . 13 1 1 A 30 30 LEU N N 30 128.053 129.438 -1.385 1
1 294 . 13 1 1 A 31 31 SER H H 31 8.152 7.782 0.370 1
1 295 . 13 1 1 A 31 31 SER HA H 31 4.748 4.733 0.015 1
1 298 . 13 1 1 A 31 31 SER C C 31 173.427 174.639 -1.212 1
1 299 . 13 1 1 A 31 31 SER CA C 31 57.811 56.109 1.702 1
1 300 . 13 1 1 A 31 31 SER CB C 31 64.517 65.649 -1.132 1
1 301 . 13 1 1 A 31 31 SER N N 31 112.798 110.952 1.846 1
1 302 . 13 1 1 A 32 32 SER H H 32 8.450 8.771 -0.321 1
1 303 . 13 1 1 A 32 32 SER HA H 32 4.604 4.208 0.396 1
1 306 . 13 1 1 A 32 32 SER C C 32 172.423 174.981 -2.558 1
1 307 . 13 1 1 A 32 32 SER CA C 32 59.414 61.569 -2.155 1
1 308 . 13 1 1 A 32 32 SER CB C 32 63.903 62.554 1.349 1
1 309 . 13 1 1 A 32 32 SER N N 32 112.687 118.800 -6.113 1
1 310 . 13 1 1 A 33 33 SER H H 33 8.355 8.072 0.283 1
1 311 . 13 1 1 A 33 33 SER HA H 33 4.759 4.622 0.137 1
1 314 . 13 1 1 A 33 33 SER C C 33 173.940 172.729 1.211 1
1 315 . 13 1 1 A 33 33 SER CA C 33 57.229 57.149 0.080 1
1 316 . 13 1 1 A 33 33 SER CB C 33 66.786 63.977 2.809 1
1 317 . 13 1 1 A 33 33 SER N N 33 109.767 115.146 -5.379 1
1 318 . 13 1 1 A 34 34 GLU H H 34 6.978 7.625 -0.647 1
1 319 . 13 1 1 A 34 34 GLU HA H 34 5.487 5.099 0.388 1
1 324 . 13 1 1 A 34 34 GLU C C 34 175.294 174.808 0.486 1
1 325 . 13 1 1 A 34 34 GLU CA C 34 55.130 55.058 0.072 1
1 326 . 13 1 1 A 34 34 GLU CB C 34 35.711 33.230 2.481 1
1 328 . 13 1 1 A 34 34 GLU N N 34 119.009 121.818 -2.809 1
1 329 . 13 1 1 A 35 35 ILE H H 35 8.190 8.465 -0.275 1
1 330 . 13 1 1 A 35 35 ILE HA H 35 4.477 4.783 -0.306 1
1 340 . 13 1 1 A 35 35 ILE C C 35 173.681 174.957 -1.276 1
1 341 . 13 1 1 A 35 35 ILE CA C 35 60.203 60.056 0.147 1
1 342 . 13 1 1 A 35 35 ILE CB C 35 43.791 42.041 1.750 1
1 346 . 13 1 1 A 35 35 ILE N N 35 120.691 123.358 -2.667 1
1 347 . 13 1 1 A 36 36 SER H H 36 9.269 9.228 0.041 1
1 348 . 13 1 1 A 36 36 SER HA H 36 5.300 5.583 -0.283 1
1 351 . 13 1 1 A 36 36 SER C C 36 172.945 174.017 -1.072 1
1 352 . 13 1 1 A 36 36 SER CA C 36 56.549 55.899 0.650 1
1 353 . 13 1 1 A 36 36 SER CB C 36 64.591 65.918 -1.327 1
1 354 . 13 1 1 A 36 36 SER N N 36 120.471 120.671 -0.200 1
1 355 . 13 1 1 A 37 37 VAL H H 37 9.000 8.515 0.485 1
1 356 . 13 1 1 A 37 37 VAL HA H 37 4.902 4.748 0.154 1
1 364 . 13 1 1 A 37 37 VAL C C 37 173.530 174.670 -1.140 1
1 365 . 13 1 1 A 37 37 VAL CA C 37 60.261 61.602 -1.341 1
1 366 . 13 1 1 A 37 37 VAL CB C 37 35.001 34.505 0.496 1
1 369 . 13 1 1 A 37 37 VAL N N 37 127.009 121.894 5.115 1
1 370 . 13 1 1 A 38 38 HIS H H 38 8.779 9.257 -0.478 1
1 371 . 13 1 1 A 38 38 HIS HA H 38 5.238 5.087 0.151 1
1 376 . 13 1 1 A 38 38 HIS C C 38 173.545 174.743 -1.198 1
1 377 . 13 1 1 A 38 38 HIS CA C 38 54.991 54.305 0.686 1
1 378 . 13 1 1 A 38 38 HIS CB C 38 32.564 32.169 0.395 1
1 381 . 13 1 1 A 38 38 HIS N N 38 123.115 125.075 -1.960 1
1 382 . 13 1 1 A 39 39 TRP H H 39 7.682 8.577 -0.895 1
1 383 . 13 1 1 A 39 39 TRP HA H 39 5.044 5.422 -0.378 1
1 392 . 13 1 1 A 39 39 TRP C C 39 173.585 172.869 0.716 1
1 393 . 13 1 1 A 39 39 TRP CA C 39 57.170 55.442 1.728 1
1 394 . 13 1 1 A 39 39 TRP CB C 39 31.554 31.437 0.117 1
1 400 . 13 1 1 A 39 39 TRP N N 39 116.447 119.310 -2.863 1
1 402 . 13 1 1 A 40 40 GLU H H 40 8.522 9.122 -0.600 1
1 403 . 13 1 1 A 40 40 GLU HA H 40 4.619 5.084 -0.465 1
1 408 . 13 1 1 A 40 40 GLU C C 40 177.186 176.581 0.605 1
1 409 . 13 1 1 A 40 40 GLU CA C 40 54.356 54.778 -0.422 1
1 410 . 13 1 1 A 40 40 GLU CB C 40 30.344 32.826 -2.482 1
1 412 . 13 1 1 A 40 40 GLU N N 40 117.208 120.895 -3.687 1
1 413 . 13 1 1 A 41 41 HIS H H 41 8.477 8.796 -0.319 1
1 414 . 13 1 1 A 41 41 HIS HA H 41 4.748 4.663 0.085 1
1 419 . 13 1 1 A 41 41 HIS C C 41 177.474 176.115 1.359 1
1 420 . 13 1 1 A 41 41 HIS CA C 41 54.779 57.417 -2.638 1
1 421 . 13 1 1 A 41 41 HIS CB C 41 31.140 30.293 0.847 1
1 424 . 13 1 1 A 41 41 HIS N N 41 119.083 124.988 -5.905 1
1 425 . 13 1 1 A 42 42 VAL H H 42 7.680 8.495 -0.815 1
1 426 . 13 1 1 A 42 42 VAL HA H 42 4.428 4.435 -0.007 1
1 434 . 13 1 1 A 42 42 VAL C C 42 175.401 177.345 -1.944 1
1 435 . 13 1 1 A 42 42 VAL CA C 42 60.878 61.484 -0.606 1
1 436 . 13 1 1 A 42 42 VAL CB C 42 32.216 33.713 -1.497 1
1 439 . 13 1 1 A 42 42 VAL N N 42 114.975 123.679 -8.704 1
1 440 . 13 1 1 A 43 43 LEU H H 43 9.107 8.646 0.461 1
1 441 . 13 1 1 A 43 43 LEU HA H 43 4.303 4.282 0.021 1
1 451 . 13 1 1 A 43 43 LEU C C 43 178.603 177.346 1.257 1
1 452 . 13 1 1 A 43 43 LEU CA C 43 55.872 56.688 -0.816 1
1 453 . 13 1 1 A 43 43 LEU CB C 43 41.684 42.319 -0.635 1
1 457 . 13 1 1 A 43 43 LEU N N 43 123.877 119.163 4.714 1
1 458 . 13 1 1 A 44 44 GLU H H 44 7.988 7.519 0.469 1
1 459 . 13 1 1 A 44 44 GLU HA H 44 4.152 4.381 -0.229 1
1 464 . 13 1 1 A 44 44 GLU C C 44 177.236 176.482 0.754 1
1 465 . 13 1 1 A 44 44 GLU CA C 44 57.282 56.446 0.836 1
1 466 . 13 1 1 A 44 44 GLU CB C 44 31.033 30.185 0.848 1
1 468 . 13 1 1 A 44 44 GLU N N 44 119.655 121.389 -1.734 1
1 469 . 13 1 1 A 45 45 LYS H H 45 8.596 8.973 -0.377 1
1 470 . 13 1 1 A 45 45 LYS HA H 45 4.295 4.427 -0.132 1
1 479 . 13 1 1 A 45 45 LYS C C 45 177.258 177.414 -0.156 1
1 480 . 13 1 1 A 45 45 LYS CA C 45 57.170 57.209 -0.039 1
1 481 . 13 1 1 A 45 45 LYS CB C 45 32.204 32.674 -0.470 1
1 485 . 13 1 1 A 45 45 LYS N N 45 120.518 126.316 -5.798 1
1 486 . 13 1 1 A 46 46 ILE H H 46 7.212 7.535 -0.323 1
1 487 . 13 1 1 A 46 46 ILE HA H 46 4.371 4.314 0.057 1
1 497 . 13 1 1 A 46 46 ILE C C 46 175.191 176.278 -1.087 1
1 498 . 13 1 1 A 46 46 ILE CA C 46 60.666 61.933 -1.267 1
1 499 . 13 1 1 A 46 46 ILE CB C 46 37.531 38.412 -0.881 1
1 503 . 13 1 1 A 46 46 ILE N N 46 111.434 112.694 -1.260 1
1 504 . 13 1 1 A 47 47 VAL H H 47 7.378 7.229 0.149 1
1 505 . 13 1 1 A 47 47 VAL HA H 47 3.658 3.884 -0.226 1
1 513 . 13 1 1 A 47 47 VAL C C 47 175.157 176.154 -0.997 1
1 514 . 13 1 1 A 47 47 VAL CA C 47 63.521 62.109 1.412 1
1 515 . 13 1 1 A 47 47 VAL CB C 47 33.570 31.763 1.807 1
1 518 . 13 1 1 A 47 47 VAL N N 47 122.780 122.147 0.633 1
1 519 . 13 1 1 A 48 48 GLU H H 48 8.733 8.726 0.007 1
1 520 . 13 1 1 A 48 48 GLU HA H 48 4.615 4.096 0.519 1
1 525 . 13 1 1 A 48 48 GLU C C 48 176.241 176.629 -0.388 1
1 526 . 13 1 1 A 48 48 GLU CA C 48 56.701 59.096 -2.395 1
1 527 . 13 1 1 A 48 48 GLU CB C 48 32.966 30.261 2.705 1
1 529 . 13 1 1 A 48 48 GLU N N 48 124.835 126.106 -1.271 1
1 530 . 13 1 1 A 49 49 SER H H 49 8.130 7.092 1.038 1
1 531 . 13 1 1 A 49 49 SER HA H 49 4.726 4.509 0.217 1
1 534 . 13 1 1 A 49 49 SER C C 49 171.371 171.357 0.014 1
1 535 . 13 1 1 A 49 49 SER CA C 49 57.440 57.367 0.073 1
1 536 . 13 1 1 A 49 49 SER CB C 49 66.073 65.194 0.879 1
1 537 . 13 1 1 A 49 49 SER N N 49 114.231 110.697 3.534 1
1 538 . 13 1 1 A 50 50 TYR H H 50 8.681 8.393 0.288 1
1 539 . 13 1 1 A 50 50 TYR HA H 50 5.057 5.115 -0.058 1
1 546 . 13 1 1 A 50 50 TYR C C 50 174.034 174.682 -0.648 1
1 547 . 13 1 1 A 50 50 TYR CA C 50 57.434 56.591 0.843 1
1 548 . 13 1 1 A 50 50 TYR CB C 50 41.437 39.763 1.674 1
1 553 . 13 1 1 A 50 50 TYR N N 50 115.301 120.367 -5.066 1
1 554 . 13 1 1 A 51 51 GLN H H 51 9.200 8.362 0.838 1
1 555 . 13 1 1 A 51 51 GLN HA H 51 5.144 4.602 0.542 1
1 562 . 13 1 1 A 51 51 GLN C C 51 173.878 174.913 -1.035 1
1 563 . 13 1 1 A 51 51 GLN CA C 51 53.669 55.203 -1.534 1
1 564 . 13 1 1 A 51 51 GLN CB C 51 32.783 29.924 2.859 1
1 566 . 13 1 1 A 51 51 GLN N N 51 119.842 124.044 -4.202 1
1 568 . 13 1 1 A 52 52 ILE H H 52 9.441 9.263 0.178 1
1 569 . 13 1 1 A 52 52 ILE HA H 52 4.803 4.868 -0.065 1
1 579 . 13 1 1 A 52 52 ILE C C 52 174.953 174.587 0.366 1
1 580 . 13 1 1 A 52 52 ILE CA C 52 61.054 60.576 0.478 1
1 581 . 13 1 1 A 52 52 ILE CB C 52 39.108 37.163 1.945 1
1 585 . 13 1 1 A 52 52 ILE N N 52 128.547 129.764 -1.217 1
1 586 . 13 1 1 A 53 53 ARG H H 53 9.169 8.683 0.486 1
1 587 . 13 1 1 A 53 53 ARG HA H 53 5.628 4.981 0.647 1
1 594 . 13 1 1 A 53 53 ARG C C 53 174.869 175.963 -1.094 1
1 595 . 13 1 1 A 53 53 ARG CA C 53 54.479 55.646 -1.167 1
1 596 . 13 1 1 A 53 53 ARG CB C 53 33.942 31.216 2.726 1
1 599 . 13 1 1 A 53 53 ARG N N 53 127.779 129.531 -1.752 1
1 600 . 13 1 1 A 54 54 TYR H H 54 8.671 8.667 0.004 1
1 601 . 13 1 1 A 54 54 TYR HA H 54 6.310 6.461 -0.151 1
1 608 . 13 1 1 A 54 54 TYR C C 54 173.965 173.837 0.128 1
1 609 . 13 1 1 A 54 54 TYR CA C 54 55.291 55.770 -0.479 1
1 610 . 13 1 1 A 54 54 TYR CB C 54 41.930 42.612 -0.682 1
1 615 . 13 1 1 A 54 54 TYR N N 54 117.929 122.214 -4.285 1
1 616 . 13 1 1 A 55 55 TRP H H 55 8.928 8.776 0.152 1
1 617 . 13 1 1 A 55 55 TRP HA H 55 5.054 5.345 -0.291 1
1 626 . 13 1 1 A 55 55 TRP C C 55 172.613 174.511 -1.898 1
1 627 . 13 1 1 A 55 55 TRP CA C 55 56.577 56.459 0.118 1
1 628 . 13 1 1 A 55 55 TRP CB C 55 32.118 31.814 0.304 1
1 634 . 13 1 1 A 55 55 TRP N N 55 121.459 118.799 2.660 1
1 636 . 13 1 1 A 56 56 ALA H H 56 8.870 8.432 0.438 1
1 637 . 13 1 1 A 56 56 ALA HA H 56 4.053 3.858 0.195 1
1 641 . 13 1 1 A 56 56 ALA C C 56 179.868 178.359 1.509 1
1 642 . 13 1 1 A 56 56 ALA CA C 56 50.478 52.089 -1.611 1
1 643 . 13 1 1 A 56 56 ALA CB C 56 19.108 18.605 0.503 1
1 644 . 13 1 1 A 56 56 ALA N N 56 124.214 124.105 0.109 1
1 645 . 13 1 1 A 57 57 ALA H H 57 8.147 8.921 -0.774 1
1 646 . 13 1 1 A 57 57 ALA HA H 57 3.913 4.104 -0.191 1
1 650 . 13 1 1 A 57 57 ALA C C 57 178.479 179.759 -1.280 1
1 651 . 13 1 1 A 57 57 ALA CA C 57 54.832 55.725 -0.893 1
1 652 . 13 1 1 A 57 57 ALA CB C 57 19.317 18.169 1.148 1
1 653 . 13 1 1 A 57 57 ALA N N 57 120.999 126.045 -5.046 1
1 654 . 13 1 1 A 58 58 HIS H H 58 7.274 7.978 -0.704 1
1 655 . 13 1 1 A 58 58 HIS HA H 58 4.605 4.451 0.154 1
1 660 . 13 1 1 A 58 58 HIS C C 58 175.349 175.566 -0.217 1
1 661 . 13 1 1 A 58 58 HIS CA C 58 56.066 57.449 -1.383 1
1 662 . 13 1 1 A 58 58 HIS CB C 58 29.780 29.007 0.773 1
1 665 . 13 1 1 A 58 58 HIS N N 58 109.961 114.122 -4.161 1
1 666 . 13 1 1 A 59 59 ASP H H 59 7.945 7.840 0.105 1
1 667 . 13 1 1 A 59 59 ASP HA H 59 4.869 4.621 0.248 1
1 670 . 13 1 1 A 59 59 ASP C C 59 175.895 175.837 0.058 1
1 671 . 13 1 1 A 59 59 ASP CA C 59 53.898 53.822 0.076 1
1 672 . 13 1 1 A 59 59 ASP CB C 59 42.385 41.674 0.711 1
1 673 . 13 1 1 A 59 59 ASP N N 59 123.825 120.795 3.030 1
1 674 . 13 1 1 A 60 60 LYS H H 60 8.147 8.834 -0.687 1
1 675 . 13 1 1 A 60 60 LYS HA H 60 4.197 4.546 -0.349 1
1 682 . 13 1 1 A 60 60 LYS C C 60 177.212 178.256 -1.044 1
1 683 . 13 1 1 A 60 60 LYS CA C 60 56.121 54.999 1.122 1
1 684 . 13 1 1 A 60 60 LYS CB C 60 32.951 33.750 -0.799 1
1 688 . 13 1 1 A 60 60 LYS N N 60 117.803 121.631 -3.828 1
1 689 . 13 1 1 A 61 61 GLU H H 61 8.381 8.772 -0.391 1
1 690 . 13 1 1 A 61 61 GLU HA H 61 2.603 3.308 -0.705 1
1 695 . 13 1 1 A 61 61 GLU C C 61 178.058 177.931 0.127 1
1 696 . 13 1 1 A 61 61 GLU CA C 61 58.622 58.899 -0.277 1
1 697 . 13 1 1 A 61 61 GLU CB C 61 28.709 28.904 -0.195 1
1 699 . 13 1 1 A 61 61 GLU N N 61 122.310 122.304 0.006 1
1 700 . 13 1 1 A 62 62 GLU H H 62 8.470 8.897 -0.427 1
1 701 . 13 1 1 A 62 62 GLU HA H 62 3.919 4.025 -0.106 1
1 706 . 13 1 1 A 62 62 GLU C C 62 176.293 177.273 -0.980 1
1 707 . 13 1 1 A 62 62 GLU CA C 62 57.899 58.702 -0.803 1
1 708 . 13 1 1 A 62 62 GLU CB C 62 28.796 28.560 0.236 1
1 710 . 13 1 1 A 62 62 GLU N N 62 117.600 117.745 -0.145 1
1 711 . 13 1 1 A 63 63 ALA H H 63 7.760 7.216 0.544 1
1 712 . 13 1 1 A 63 63 ALA HA H 63 4.443 4.412 0.031 1
1 716 . 13 1 1 A 63 63 ALA C C 63 176.867 177.059 -0.192 1
1 717 . 13 1 1 A 63 63 ALA CA C 63 51.095 51.391 -0.296 1
1 718 . 13 1 1 A 63 63 ALA CB C 63 18.845 19.224 -0.379 1
1 719 . 13 1 1 A 63 63 ALA N N 63 123.067 120.783 2.284 1
1 720 . 13 1 1 A 64 64 ALA H H 64 7.389 6.976 0.413 1
1 721 . 13 1 1 A 64 64 ALA HA H 64 4.175 4.285 -0.110 1
1 725 . 13 1 1 A 64 64 ALA C C 64 177.784 177.466 0.318 1
1 726 . 13 1 1 A 64 64 ALA CA C 64 53.099 52.634 0.465 1
1 727 . 13 1 1 A 64 64 ALA CB C 64 19.784 19.162 0.622 1
1 728 . 13 1 1 A 64 64 ALA N N 64 121.409 121.603 -0.194 1
1 729 . 13 1 1 A 65 65 ASN H H 65 8.152 7.942 0.210 1
1 730 . 13 1 1 A 65 65 ASN HA H 65 4.714 4.729 -0.015 1
1 735 . 13 1 1 A 65 65 ASN C C 65 173.533 174.874 -1.341 1
1 736 . 13 1 1 A 65 65 ASN CA C 65 52.523 53.471 -0.948 1
1 737 . 13 1 1 A 65 65 ASN CB C 65 40.739 38.970 1.769 1
1 738 . 13 1 1 A 65 65 ASN N N 65 119.620 119.331 0.289 1
1 740 . 13 1 1 A 66 66 ARG H H 66 8.366 8.530 -0.164 1
1 741 . 13 1 1 A 66 66 ARG HA H 66 5.760 5.135 0.625 1
1 748 . 13 1 1 A 66 66 ARG C C 66 175.946 175.195 0.751 1
1 749 . 13 1 1 A 66 66 ARG CA C 66 54.902 54.487 0.415 1
1 750 . 13 1 1 A 66 66 ARG CB C 66 34.116 33.025 1.091 1
1 753 . 13 1 1 A 66 66 ARG N N 66 116.911 120.972 -4.061 1
1 754 . 13 1 1 A 67 67 VAL H H 67 9.057 8.889 0.168 1
1 755 . 13 1 1 A 67 67 VAL HA H 67 4.520 4.817 -0.297 1
1 763 . 13 1 1 A 67 67 VAL C C 67 173.731 173.778 -0.047 1
1 764 . 13 1 1 A 67 67 VAL CA C 67 60.845 61.264 -0.419 1
1 765 . 13 1 1 A 67 67 VAL CB C 67 35.917 34.981 0.936 1
1 768 . 13 1 1 A 67 67 VAL N N 67 122.047 122.780 -0.733 1
1 769 . 13 1 1 A 68 68 GLN H H 68 8.741 9.125 -0.384 1
1 770 . 13 1 1 A 68 68 GLN HA H 68 5.543 5.246 0.297 1
1 777 . 13 1 1 A 68 68 GLN C C 68 175.452 174.910 0.542 1
1 778 . 13 1 1 A 68 68 GLN CA C 68 54.462 54.277 0.185 1
1 779 . 13 1 1 A 68 68 GLN CB C 68 32.087 31.467 0.620 1
1 781 . 13 1 1 A 68 68 GLN N N 68 124.250 128.859 -4.609 1
1 783 . 13 1 1 A 69 69 VAL H H 69 8.912 8.827 0.085 1
1 784 . 13 1 1 A 69 69 VAL HA H 69 5.012 4.785 0.227 1
1 792 . 13 1 1 A 69 69 VAL C C 69 175.870 175.019 0.851 1
1 793 . 13 1 1 A 69 69 VAL CA C 69 59.045 59.480 -0.435 1
1 794 . 13 1 1 A 69 69 VAL CB C 69 35.106 35.761 -0.655 1
1 797 . 13 1 1 A 69 69 VAL N N 69 117.045 119.582 -2.537 1
1 798 . 13 1 1 A 70 70 THR H H 70 8.491 8.550 -0.059 1
1 799 . 13 1 1 A 70 70 THR HA H 70 4.585 4.338 0.247 1
1 804 . 13 1 1 A 70 70 THR C C 70 175.015 175.572 -0.557 1
1 805 . 13 1 1 A 70 70 THR CA C 70 62.917 62.608 0.309 1
1 806 . 13 1 1 A 70 70 THR CB C 70 70.767 69.612 1.155 1
1 808 . 13 1 1 A 70 70 THR N N 70 111.495 115.418 -3.923 1
1 809 . 13 1 1 A 71 71 SER H H 71 7.522 8.900 -1.378 1
1 810 . 13 1 1 A 71 71 SER HA H 71 4.148 4.426 -0.278 1
1 813 . 13 1 1 A 71 71 SER C C 71 174.340 176.340 -2.000 1
1 814 . 13 1 1 A 71 71 SER CA C 71 59.749 60.903 -1.154 1
1 815 . 13 1 1 A 71 71 SER CB C 71 63.060 62.560 0.500 1
1 816 . 13 1 1 A 71 71 SER N N 71 111.553 119.129 -7.576 1
1 817 . 13 1 1 A 72 72 GLN H H 72 7.718 8.025 -0.307 1
1 818 . 13 1 1 A 72 72 GLN HA H 72 4.428 4.400 0.028 1
1 823 . 13 1 1 A 72 72 GLN C C 72 176.456 177.057 -0.601 1
1 824 . 13 1 1 A 72 72 GLN CA C 72 56.630 58.045 -1.415 1
1 825 . 13 1 1 A 72 72 GLN CB C 72 29.373 28.974 0.399 1
1 827 . 13 1 1 A 72 72 GLN N N 72 117.502 118.223 -0.721 1
1 829 . 13 1 1 A 73 73 GLU H H 73 7.650 7.887 -0.237 1
1 830 . 13 1 1 A 73 73 GLU HA H 73 4.408 4.494 -0.086 1
1 835 . 13 1 1 A 73 73 GLU C C 73 176.484 176.081 0.403 1
1 836 . 13 1 1 A 73 73 GLU CA C 73 56.472 56.224 0.248 1
1 837 . 13 1 1 A 73 73 GLU CB C 73 31.962 30.432 1.530 1
1 839 . 13 1 1 A 73 73 GLU N N 73 119.175 119.555 -0.380 1
1 840 . 13 1 1 A 74 74 TYR H H 74 8.615 8.955 -0.340 1
1 841 . 13 1 1 A 74 74 TYR HA H 74 3.427 4.228 -0.801 1
1 848 . 13 1 1 A 74 74 TYR C C 74 171.853 175.205 -3.352 1
1 849 . 13 1 1 A 74 74 TYR CA C 74 56.565 58.735 -2.170 1
1 850 . 13 1 1 A 74 74 TYR CB C 74 39.410 38.285 1.125 1
1 855 . 13 1 1 A 74 74 TYR N N 74 118.997 125.631 -6.634 1
1 856 . 13 1 1 A 75 75 SER H H 75 6.801 7.394 -0.593 1
1 857 . 13 1 1 A 75 75 SER HA H 75 5.001 3.849 1.152 1
1 860 . 13 1 1 A 75 75 SER C C 75 172.976 171.883 1.093 1
1 861 . 13 1 1 A 75 75 SER CA C 75 56.154 56.855 -0.701 1
1 862 . 13 1 1 A 75 75 SER CB C 75 66.541 65.109 1.432 1
1 863 . 13 1 1 A 75 75 SER N N 75 109.803 111.788 -1.985 1
1 864 . 13 1 1 A 76 76 ALA H H 76 8.897 8.519 0.378 1
1 865 . 13 1 1 A 76 76 ALA HA H 76 4.604 5.027 -0.423 1
1 869 . 13 1 1 A 76 76 ALA C C 76 174.777 175.283 -0.506 1
1 870 . 13 1 1 A 76 76 ALA CA C 76 51.359 50.967 0.392 1
1 871 . 13 1 1 A 76 76 ALA CB C 76 23.140 24.294 -1.154 1
1 872 . 13 1 1 A 76 76 ALA N N 76 120.416 122.656 -2.240 1
1 873 . 13 1 1 A 77 77 ARG H H 77 8.529 8.563 -0.034 1
1 874 . 13 1 1 A 77 77 ARG HA H 77 4.681 5.068 -0.387 1
1 881 . 13 1 1 A 77 77 ARG C C 77 174.533 174.135 0.398 1
1 882 . 13 1 1 A 77 77 ARG CA C 77 54.973 54.600 0.373 1
1 883 . 13 1 1 A 77 77 ARG CB C 77 31.839 33.910 -2.071 1
1 886 . 13 1 1 A 77 77 ARG N N 77 121.172 119.794 1.378 1
1 887 . 13 1 1 A 78 78 LEU H H 78 9.089 9.255 -0.166 1
1 888 . 13 1 1 A 78 78 LEU HA H 78 4.396 5.060 -0.664 1
1 898 . 13 1 1 A 78 78 LEU C C 78 175.107 175.343 -0.236 1
1 899 . 13 1 1 A 78 78 LEU CA C 78 53.333 53.098 0.235 1
1 900 . 13 1 1 A 78 78 LEU CB C 78 41.272 45.217 -3.945 1
1 904 . 13 1 1 A 78 78 LEU N N 78 126.698 127.653 -0.955 1
1 905 . 13 1 1 A 79 79 GLU H H 79 8.239 8.609 -0.370 1
1 906 . 13 1 1 A 79 79 GLU HA H 79 5.034 5.090 -0.056 1
1 911 . 13 1 1 A 79 79 GLU C C 79 174.792 175.486 -0.694 1
1 912 . 13 1 1 A 79 79 GLU CA C 79 54.056 54.544 -0.488 1
1 913 . 13 1 1 A 79 79 GLU CB C 79 33.692 33.157 0.535 1
1 915 . 13 1 1 A 79 79 GLU N N 79 119.147 120.692 -1.545 1
1 916 . 13 1 1 A 80 80 ASN H H 80 9.068 8.482 0.586 1
1 917 . 13 1 1 A 80 80 ASN HA H 80 4.303 4.275 0.028 1
1 922 . 13 1 1 A 80 80 ASN C C 80 174.823 174.095 0.728 1
1 923 . 13 1 1 A 80 80 ASN CA C 80 54.462 54.197 0.265 1
1 924 . 13 1 1 A 80 80 ASN CB C 80 37.359 37.157 0.202 1
1 925 . 13 1 1 A 80 80 ASN N N 80 113.324 116.377 -3.053 1
1 927 . 13 1 1 A 81 81 LEU H H 81 8.671 7.902 0.769 1
1 928 . 13 1 1 A 81 81 LEU HA H 81 4.252 4.664 -0.412 1
1 938 . 13 1 1 A 81 81 LEU C C 81 175.804 176.144 -0.340 1
1 939 . 13 1 1 A 81 81 LEU CA C 81 53.841 53.431 0.410 1
1 940 . 13 1 1 A 81 81 LEU CB C 81 40.891 43.603 -2.712 1
1 944 . 13 1 1 A 81 81 LEU N N 81 117.886 118.904 -1.018 1
1 945 . 13 1 1 A 82 82 LEU H H 82 8.448 8.990 -0.542 1
1 946 . 13 1 1 A 82 82 LEU HA H 82 4.600 4.702 -0.102 1
1 956 . 13 1 1 A 82 82 LEU C C 82 175.149 174.890 0.259 1
1 957 . 13 1 1 A 82 82 LEU CA C 82 52.629 53.371 -0.742 1
1 958 . 13 1 1 A 82 82 LEU CB C 82 42.449 41.602 0.847 1
1 962 . 13 1 1 A 82 82 LEU N N 82 121.118 124.076 -2.958 1
1 963 . 13 1 1 A 83 83 PRO HA H 83 5.237 4.386 0.851 1
1 970 . 13 1 1 A 83 83 PRO C C 83 178.145 177.202 0.943 1
1 971 . 13 1 1 A 83 83 PRO CA C 83 62.472 63.379 -0.907 1
1 972 . 13 1 1 A 83 83 PRO CB C 83 33.232 32.173 1.059 1
1 975 . 13 1 1 A 84 84 ASP H H 84 7.943 9.022 -1.079 1
1 976 . 13 1 1 A 84 84 ASP HA H 84 4.208 4.486 -0.278 1
1 979 . 13 1 1 A 84 84 ASP C C 84 174.476 174.649 -0.173 1
1 980 . 13 1 1 A 84 84 ASP CA C 84 54.250 55.148 -0.898 1
1 981 . 13 1 1 A 84 84 ASP CB C 84 41.568 39.634 1.934 1
1 982 . 13 1 1 A 84 84 ASP N N 84 126.496 121.485 5.011 1
1 983 . 13 1 1 A 85 85 THR H H 85 8.261 8.025 0.236 1
1 984 . 13 1 1 A 85 85 THR HA H 85 4.381 4.455 -0.074 1
1 989 . 13 1 1 A 85 85 THR C C 85 170.639 173.216 -2.577 1
1 990 . 13 1 1 A 85 85 THR CA C 85 62.951 61.462 1.489 1
1 991 . 13 1 1 A 85 85 THR CB C 85 72.217 71.079 1.138 1
1 993 . 13 1 1 A 85 85 THR N N 85 114.015 112.955 1.060 1
1 994 . 13 1 1 A 86 86 GLN H H 86 8.221 8.300 -0.079 1
1 995 . 13 1 1 A 86 86 GLN HA H 86 3.664 3.823 -0.159 1
1 1002 . 13 1 1 A 86 86 GLN C C 86 172.890 173.909 -1.019 1
1 1003 . 13 1 1 A 86 86 GLN CA C 86 54.585 55.736 -1.151 1
1 1004 . 13 1 1 A 86 86 GLN CB C 86 28.836 28.791 0.045 1
1 1006 . 13 1 1 A 86 86 GLN N N 86 127.039 126.692 0.347 1
1 1008 . 13 1 1 A 87 87 TYR H H 87 8.976 8.945 0.031 1
1 1009 . 13 1 1 A 87 87 TYR HA H 87 4.583 4.723 -0.140 1
1 1016 . 13 1 1 A 87 87 TYR C C 87 173.534 174.816 -1.282 1
1 1017 . 13 1 1 A 87 87 TYR CA C 87 57.599 56.281 1.318 1
1 1018 . 13 1 1 A 87 87 TYR CB C 87 42.344 40.525 1.819 1
1 1023 . 13 1 1 A 87 87 TYR N N 87 126.060 125.563 0.497 1
1 1024 . 13 1 1 A 88 88 PHE H H 88 8.388 8.503 -0.115 1
1 1025 . 13 1 1 A 88 88 PHE HA H 88 4.902 4.632 0.270 1
1 1033 . 13 1 1 A 88 88 PHE C C 88 175.238 174.955 0.283 1
1 1034 . 13 1 1 A 88 88 PHE CA C 88 55.872 57.465 -1.593 1
1 1035 . 13 1 1 A 88 88 PHE CB C 88 40.284 38.387 1.897 1
1 1041 . 13 1 1 A 88 88 PHE N N 88 118.991 122.660 -3.669 1
1 1042 . 13 1 1 A 89 89 ILE H H 89 8.450 9.322 -0.872 1
1 1043 . 13 1 1 A 89 89 ILE HA H 89 4.913 5.438 -0.525 1
1 1053 . 13 1 1 A 89 89 ILE C C 89 174.770 175.716 -0.946 1
1 1054 . 13 1 1 A 89 89 ILE CA C 89 60.472 59.695 0.777 1
1 1055 . 13 1 1 A 89 89 ILE CB C 89 43.167 40.370 2.797 1
1 1059 . 13 1 1 A 89 89 ILE N N 89 118.943 123.540 -4.597 1
1 1060 . 13 1 1 A 90 90 GLU H H 90 9.071 9.229 -0.158 1
1 1061 . 13 1 1 A 90 90 GLU HA H 90 4.558 5.247 -0.689 1
1 1066 . 13 1 1 A 90 90 GLU C C 90 173.981 175.573 -1.592 1
1 1067 . 13 1 1 A 90 90 GLU CA C 90 54.831 55.011 -0.180 1
1 1068 . 13 1 1 A 90 90 GLU CB C 90 35.052 32.688 2.364 1
1 1070 . 13 1 1 A 90 90 GLU N N 90 124.044 125.483 -1.439 1
1 1071 . 13 1 1 A 91 91 VAL H H 91 8.564 8.595 -0.031 1
1 1072 . 13 1 1 A 91 91 VAL HA H 91 4.968 4.697 0.271 1
1 1080 . 13 1 1 A 91 91 VAL C C 91 174.488 175.207 -0.719 1
1 1081 . 13 1 1 A 91 91 VAL CA C 91 60.525 60.830 -0.305 1
1 1082 . 13 1 1 A 91 91 VAL CB C 91 34.308 32.995 1.313 1
1 1085 . 13 1 1 A 91 91 VAL N N 91 121.165 125.005 -3.840 1
1 1086 . 13 1 1 A 92 92 GLY H H 92 8.941 8.288 0.653 1
1 1087 . 13 1 1 A 92 92 GLY HA2 H 92 4.571 4.348 0.223 1
1 1088 . 13 1 1 A 92 92 GLY HA3 H 92 3.581 4.356 -0.775 1
1 1089 . 13 1 1 A 92 92 GLY C C 92 171.577 172.249 -0.672 1
1 1090 . 13 1 1 A 92 92 GLY CA C 92 43.640 44.744 -1.104 1
1 1091 . 13 1 1 A 92 92 GLY N N 92 112.251 114.982 -2.731 1
1 1092 . 13 1 1 A 93 93 ALA H H 93 10.001 8.636 1.365 1
1 1093 . 13 1 1 A 93 93 ALA HA H 93 4.560 4.245 0.315 1
1 1097 . 13 1 1 A 93 93 ALA C C 93 176.786 176.809 -0.023 1
1 1098 . 13 1 1 A 93 93 ALA CA C 93 51.060 51.498 -0.438 1
1 1099 . 13 1 1 A 93 93 ALA CB C 93 21.088 19.815 1.273 1
1 1100 . 13 1 1 A 93 93 ALA N N 93 126.200 123.304 2.896 1
1 1101 . 13 1 1 A 94 94 CYS H H 94 8.739 8.051 0.688 1
1 1102 . 13 1 1 A 94 94 CYS HA H 94 5.214 4.984 0.230 1
1 1105 . 13 1 1 A 94 94 CYS C C 94 174.087 173.024 1.063 1
1 1106 . 13 1 1 A 94 94 CYS CA C 94 57.088 57.520 -0.432 1
1 1107 . 13 1 1 A 94 94 CYS CB C 94 31.345 31.483 -0.138 1
1 1108 . 13 1 1 A 94 94 CYS N N 94 118.064 116.481 1.583 1
1 1109 . 13 1 1 A 95 95 ASN H H 95 8.968 8.379 0.589 1
1 1110 . 13 1 1 A 95 95 ASN HA H 95 4.593 5.007 -0.414 1
1 1115 . 13 1 1 A 95 95 ASN C C 95 176.009 175.942 0.067 1
1 1116 . 13 1 1 A 95 95 ASN CA C 95 52.981 50.797 2.184 1
1 1117 . 13 1 1 A 95 95 ASN CB C 95 39.336 40.068 -0.732 1
1 1118 . 13 1 1 A 95 95 ASN N N 95 121.604 121.294 0.310 1
1 1120 . 13 1 1 A 96 96 SER H H 96 8.483 9.014 -0.531 1
1 1121 . 13 1 1 A 96 96 SER HA H 96 4.085 4.053 0.032 1
1 1124 . 13 1 1 A 96 96 SER C C 96 174.700 176.863 -2.163 1
1 1125 . 13 1 1 A 96 96 SER CA C 96 61.600 61.496 0.104 1
1 1126 . 13 1 1 A 96 96 SER CB C 96 62.794 62.748 0.046 1
1 1127 . 13 1 1 A 96 96 SER N N 96 113.664 114.958 -1.294 1
1 1128 . 13 1 1 A 97 97 ALA H H 97 8.187 7.769 0.418 1
1 1129 . 13 1 1 A 97 97 ALA HA H 97 4.357 4.092 0.265 1
1 1133 . 13 1 1 A 97 97 ALA C C 97 177.600 177.231 0.369 1
1 1134 . 13 1 1 A 97 97 ALA CA C 97 52.681 55.163 -2.482 1
1 1135 . 13 1 1 A 97 97 ALA CB C 97 19.192 18.641 0.551 1
1 1136 . 13 1 1 A 97 97 ALA N N 97 123.374 122.334 1.040 1
1 1137 . 13 1 1 A 98 98 GLY H H 98 7.800 7.478 0.322 1
1 1138 . 13 1 1 A 98 98 GLY HA2 H 98 4.444 4.163 0.281 1
1 1139 . 13 1 1 A 98 98 GLY HA3 H 98 3.840 4.163 -0.323 1
1 1140 . 13 1 1 A 98 98 GLY C C 98 171.071 172.019 -0.948 1
1 1141 . 13 1 1 A 98 98 GLY CA C 98 44.809 43.985 0.824 1
1 1142 . 13 1 1 A 98 98 GLY N N 98 106.029 103.419 2.610 1
1 1143 . 13 1 1 A 99 99 CYS H H 99 8.399 8.311 0.088 1
1 1144 . 13 1 1 A 99 99 CYS HA H 99 4.891 5.083 -0.192 1
1 1147 . 13 1 1 A 99 99 CYS C C 99 175.557 174.528 1.029 1
1 1148 . 13 1 1 A 99 99 CYS CA C 99 57.670 57.855 -0.185 1
1 1149 . 13 1 1 A 99 99 CYS CB C 99 29.469 28.250 1.219 1
1 1150 . 13 1 1 A 99 99 CYS N N 99 117.855 118.619 -0.764 1
1 1151 . 13 1 1 A 100 100 GLY H H 100 8.930 8.847 0.083 1
1 1152 . 13 1 1 A 100 100 GLY HA2 H 100 4.282 4.114 0.168 1
1 1153 . 13 1 1 A 100 100 GLY HA3 H 100 3.764 4.126 -0.362 1
1 1154 . 13 1 1 A 100 100 GLY C C 100 170.974 172.999 -2.025 1
1 1155 . 13 1 1 A 100 100 GLY CA C 100 45.578 44.146 1.432 1
1 1156 . 13 1 1 A 100 100 GLY N N 100 113.025 113.684 -0.659 1
1 1157 . 13 1 1 A 101 101 PRO HA H 101 4.616 4.587 0.029 1
1 1164 . 13 1 1 A 101 101 PRO CA C 101 60.598 62.207 -1.609 1
1 1165 . 13 1 1 A 101 101 PRO CB C 101 30.874 32.038 -1.164 1
1 1168 . 13 1 1 A 102 102 PRO HA H 102 4.659 4.516 0.143 1
1 1175 . 13 1 1 A 102 102 PRO C C 102 178.078 176.673 1.405 1
1 1176 . 13 1 1 A 102 102 PRO CA C 102 62.111 62.428 -0.317 1
1 1177 . 13 1 1 A 102 102 PRO CB C 102 32.383 32.011 0.372 1
1 1180 . 13 1 1 A 103 103 SER H H 103 8.732 8.350 0.382 1
1 1181 . 13 1 1 A 103 103 SER HA H 103 4.222 4.638 -0.416 1
1 1184 . 13 1 1 A 103 103 SER C C 103 173.155 174.237 -1.082 1
1 1185 . 13 1 1 A 103 103 SER CA C 103 58.321 57.533 0.788 1
1 1186 . 13 1 1 A 103 103 SER CB C 103 65.815 65.440 0.375 1
1 1187 . 13 1 1 A 103 103 SER N N 103 113.387 114.762 -1.375 1
1 1188 . 13 1 1 A 104 104 ASP H H 104 8.248 8.145 0.103 1
1 1189 . 13 1 1 A 104 104 ASP HA H 104 4.472 4.537 -0.065 1
1 1192 . 13 1 1 A 104 104 ASP C C 104 176.703 175.746 0.957 1
1 1193 . 13 1 1 A 104 104 ASP CA C 104 55.573 54.465 1.108 1
1 1194 . 13 1 1 A 104 104 ASP CB C 104 40.583 42.011 -1.428 1
1 1195 . 13 1 1 A 104 104 ASP N N 104 119.021 121.393 -2.372 1
1 1196 . 13 1 1 A 105 105 MET H H 105 8.460 8.500 -0.040 1
1 1197 . 13 1 1 A 105 105 MET HA H 105 4.542 4.771 -0.229 1
1 1205 . 13 1 1 A 105 105 MET C C 105 175.687 174.782 0.905 1
1 1206 . 13 1 1 A 105 105 MET CA C 105 56.348 55.025 1.323 1
1 1207 . 13 1 1 A 105 105 MET CB C 105 33.610 32.547 1.063 1
1 1210 . 13 1 1 A 105 105 MET N N 105 124.915 124.006 0.909 1
1 1211 . 13 1 1 A 106 106 ILE H H 106 8.914 8.401 0.513 1
1 1212 . 13 1 1 A 106 106 ILE HA H 106 4.571 4.819 -0.248 1
1 1222 . 13 1 1 A 106 106 ILE C C 106 173.498 175.937 -2.439 1
1 1223 . 13 1 1 A 106 106 ILE CA C 106 59.185 60.300 -1.115 1
1 1224 . 13 1 1 A 106 106 ILE CB C 106 40.786 39.373 1.413 1
1 1228 . 13 1 1 A 106 106 ILE N N 106 126.141 127.130 -0.989 1
1 1229 . 13 1 1 A 107 107 GLU H H 107 7.999 9.101 -1.102 1
1 1230 . 13 1 1 A 107 107 GLU HA H 107 5.373 4.932 0.441 1
1 1235 . 13 1 1 A 107 107 GLU C C 107 175.263 175.341 -0.078 1
1 1236 . 13 1 1 A 107 107 GLU CA C 107 53.343 54.824 -1.481 1
1 1237 . 13 1 1 A 107 107 GLU CB C 107 32.951 32.633 0.318 1
1 1239 . 13 1 1 A 107 107 GLU N N 107 121.346 124.590 -3.244 1
1 1240 . 13 1 1 A 108 108 ALA H H 108 8.685 8.975 -0.290 1
1 1241 . 13 1 1 A 108 108 ALA HA H 108 4.549 5.620 -1.071 1
1 1245 . 13 1 1 A 108 108 ALA C C 108 174.431 175.759 -1.328 1
1 1246 . 13 1 1 A 108 108 ALA CA C 108 51.113 50.062 1.051 1
1 1247 . 13 1 1 A 108 108 ALA CB C 108 23.724 23.133 0.591 1
1 1248 . 13 1 1 A 108 108 ALA N N 108 123.009 123.667 -0.658 1
1 1249 . 13 1 1 A 109 109 PHE H H 109 8.519 9.156 -0.637 1
1 1250 . 13 1 1 A 109 109 PHE HA H 109 5.481 5.052 0.429 1
1 1258 . 13 1 1 A 109 109 PHE C C 109 177.604 175.858 1.746 1
1 1259 . 13 1 1 A 109 109 PHE CA C 109 55.854 56.613 -0.759 1
1 1260 . 13 1 1 A 109 109 PHE CB C 109 41.019 40.903 0.116 1
1 1266 . 13 1 1 A 109 109 PHE N N 109 119.997 118.178 1.819 1
1 1267 . 13 1 1 A 110 110 THR H H 110 8.839 8.959 -0.120 1
1 1268 . 13 1 1 A 110 110 THR HA H 110 4.103 4.583 -0.480 1
1 1273 . 13 1 1 A 110 110 THR C C 110 175.354 174.145 1.209 1
1 1274 . 13 1 1 A 110 110 THR CA C 110 61.763 61.330 0.433 1
1 1275 . 13 1 1 A 110 110 THR CB C 110 69.356 71.301 -1.945 1
1 1277 . 13 1 1 A 110 110 THR N N 110 112.067 116.495 -4.428 1
1 1278 . 13 1 1 A 111 111 LYS H H 111 6.542 8.356 -1.814 1
1 1279 . 13 1 1 A 111 111 LYS HA H 111 4.208 4.779 -0.571 1
1 1288 . 13 1 1 A 111 111 LYS C C 111 176.693 176.786 -0.093 1
1 1289 . 13 1 1 A 111 111 LYS CA C 111 56.383 54.433 1.950 1
1 1290 . 13 1 1 A 111 111 LYS CB C 111 33.447 34.434 -0.987 1
1 1294 . 13 1 1 A 111 111 LYS N N 111 116.497 120.343 -3.846 1
1 1295 . 13 1 1 A 112 112 LYS H H 112 8.230 8.430 -0.200 1
1 1296 . 13 1 1 A 112 112 LYS HA H 112 4.143 4.413 -0.270 1
1 1304 . 13 1 1 A 112 112 LYS C C 112 176.823 176.617 0.206 1
1 1305 . 13 1 1 A 112 112 LYS CA C 112 57.229 56.771 0.458 1
1 1306 . 13 1 1 A 112 112 LYS CB C 112 33.528 32.776 0.752 1
1 1310 . 13 1 1 A 112 112 LYS N N 112 118.783 121.532 -2.749 1
1 1311 . 13 1 1 A 113 113 ALA H H 113 8.762 8.670 0.092 1
1 1312 . 13 1 1 A 113 113 ALA HA H 113 4.338 4.413 -0.075 1
1 1316 . 13 1 1 A 113 113 ALA C C 113 177.688 176.686 1.002 1
1 1317 . 13 1 1 A 113 113 ALA CA C 113 52.417 52.293 0.124 1
1 1318 . 13 1 1 A 113 113 ALA CB C 113 19.272 18.833 0.439 1
1 1319 . 13 1 1 A 113 113 ALA N N 113 124.432 127.657 -3.225 1
1 1320 . 13 1 1 A 114 114 SER H H 114 8.386 8.962 -0.576 1
1 1321 . 13 1 1 A 114 114 SER HA H 114 4.487 4.559 -0.072 1
1 1324 . 13 1 1 A 114 114 SER C C 114 174.474 174.433 0.041 1
1 1325 . 13 1 1 A 114 114 SER CA C 114 58.063 60.072 -2.009 1
1 1326 . 13 1 1 A 114 114 SER CB C 114 64.012 64.010 0.002 1
1 1327 . 13 1 1 A 114 114 SER N N 114 115.798 118.075 -2.277 1
1 1328 . 13 1 1 A 115 115 GLY H H 115 8.278 7.372 0.906 1
1 1329 . 13 1 1 A 115 115 GLY HA2 H 115 4.172 4.102 0.070 1
1 1330 . 13 1 1 A 115 115 GLY HA3 H 115 4.094 4.102 -0.008 1
1 1331 . 13 1 1 A 115 115 GLY C C 115 171.799 172.274 -0.475 1
1 1332 . 13 1 1 A 115 115 GLY CA C 115 44.662 44.481 0.181 1
1 1333 . 13 1 1 A 115 115 GLY N N 115 110.600 104.920 5.680 1
1 1334 . 13 1 1 A 116 116 PRO HA H 116 4.472 4.796 -0.324 1
1 1341 . 13 1 1 A 116 116 PRO C C 116 177.440 174.947 2.493 1
1 1342 . 13 1 1 A 116 116 PRO CA C 116 63.275 62.672 0.603 1
1 1343 . 13 1 1 A 116 116 PRO CB C 116 32.169 30.634 1.535 1
1 1346 . 13 1 1 A 117 117 SER HA H 117 4.505 4.943 -0.438 1
1 1348 . 13 1 1 A 117 117 SER C C 117 174.652 172.391 2.261 1
1 1349 . 13 1 1 A 117 117 SER CA C 117 58.393 56.481 1.912 1
1 1350 . 13 1 1 A 117 117 SER CB C 117 63.899 65.070 -1.171 1
1 1351 . 13 1 1 A 117 117 SER N N 117 116.140 119.117 -2.977 1
1 1352 . 13 1 1 A 118 118 SER H H 118 8.314 8.454 -0.140 1
1 1353 . 13 1 1 A 118 118 SER HA H 118 4.494 5.327 -0.833 1
1 1355 . 13 1 1 A 118 118 SER C C 118 173.938 173.206 0.732 1
1 1356 . 13 1 1 A 118 118 SER CA C 118 58.428 56.638 1.790 1
1 1357 . 13 1 1 A 118 118 SER CB C 118 63.929 66.516 -2.587 1
1 1358 . 13 1 1 A 118 118 SER N N 118 117.760 115.459 2.301 1
1 6 . 14 1 1 A 4 4 GLY H H 4 8.507 8.721 -0.214 1
1 7 . 14 1 1 A 4 4 GLY HA2 H 4 4.513 3.938 0.575 1
1 8 . 14 1 1 A 4 4 GLY HA3 H 4 3.859 3.938 -0.079 1
1 9 . 14 1 1 A 4 4 GLY CA C 4 44.199 44.963 -0.764 1
1 10 . 14 1 1 A 4 4 GLY N N 4 116.148 112.071 4.077 1
1 11 . 14 1 1 A 6 6 SER HA H 6 4.472 4.838 -0.366 1
1 13 . 14 1 1 A 6 6 SER C C 6 174.998 174.886 0.112 1
1 14 . 14 1 1 A 6 6 SER CA C 6 58.657 57.743 0.914 1
1 15 . 14 1 1 A 6 6 SER CB C 6 64.025 63.899 0.126 1
1 16 . 14 1 1 A 7 7 GLY H H 7 8.399 7.889 0.510 1
1 17 . 14 1 1 A 7 7 GLY HA2 H 7 3.963 3.935 0.028 1
1 18 . 14 1 1 A 7 7 GLY HA3 H 7 3.963 3.935 0.028 1
1 19 . 14 1 1 A 7 7 GLY C C 7 173.942 174.559 -0.617 1
1 20 . 14 1 1 A 7 7 GLY CA C 7 45.332 46.844 -1.512 1
1 21 . 14 1 1 A 7 7 GLY N N 7 110.856 110.399 0.457 1
1 22 . 14 1 1 A 8 8 VAL H H 8 7.919 7.594 0.325 1
1 23 . 14 1 1 A 8 8 VAL HA H 8 4.101 4.597 -0.496 1
1 31 . 14 1 1 A 8 8 VAL C C 8 175.827 174.841 0.986 1
1 32 . 14 1 1 A 8 8 VAL CA C 8 61.987 60.411 1.576 1
1 33 . 14 1 1 A 8 8 VAL CB C 8 32.786 33.535 -0.749 1
1 36 . 14 1 1 A 8 8 VAL N N 8 119.305 119.972 -0.667 1
1 37 . 14 1 1 A 9 9 ALA H H 9 8.367 8.851 -0.484 1
1 38 . 14 1 1 A 9 9 ALA HA H 9 4.329 4.799 -0.470 1
1 42 . 14 1 1 A 9 9 ALA C C 9 177.422 176.196 1.226 1
1 43 . 14 1 1 A 9 9 ALA CA C 9 52.399 51.638 0.761 1
1 44 . 14 1 1 A 9 9 ALA CB C 9 19.317 22.788 -3.471 1
1 45 . 14 1 1 A 9 9 ALA N N 9 128.175 129.048 -0.873 1
1 46 . 14 1 1 A 10 10 VAL H H 10 8.154 8.411 -0.257 1
1 47 . 14 1 1 A 10 10 VAL HA H 10 4.046 4.089 -0.043 1
1 55 . 14 1 1 A 10 10 VAL C C 10 176.076 175.722 0.354 1
1 56 . 14 1 1 A 10 10 VAL CA C 10 62.288 62.224 0.064 1
1 57 . 14 1 1 A 10 10 VAL CB C 10 32.786 32.637 0.149 1
1 60 . 14 1 1 A 10 10 VAL N N 10 120.641 119.449 1.192 1
1 61 . 14 1 1 A 11 11 ILE H H 11 8.261 8.417 -0.156 1
1 62 . 14 1 1 A 11 11 ILE HA H 11 4.148 4.025 0.123 1
1 72 . 14 1 1 A 11 11 ILE C C 11 175.857 175.690 0.167 1
1 73 . 14 1 1 A 11 11 ILE CA C 11 60.842 61.694 -0.852 1
1 74 . 14 1 1 A 11 11 ILE CB C 11 38.776 38.617 0.159 1
1 78 . 14 1 1 A 11 11 ILE N N 11 125.253 120.676 4.577 1
1 79 . 14 1 1 A 12 12 ASN H H 12 8.575 8.629 -0.054 1
1 80 . 14 1 1 A 12 12 ASN HA H 12 4.737 5.031 -0.294 1
1 85 . 14 1 1 A 12 12 ASN C C 12 175.004 174.584 0.420 1
1 86 . 14 1 1 A 12 12 ASN CA C 12 53.087 52.502 0.585 1
1 87 . 14 1 1 A 12 12 ASN CB C 12 39.076 39.488 -0.412 1
1 88 . 14 1 1 A 12 12 ASN N N 12 123.538 122.617 0.921 1
1 90 . 14 1 1 A 13 13 SER H H 13 8.317 8.563 -0.246 1
1 91 . 14 1 1 A 13 13 SER HA H 13 4.373 4.534 -0.161 1
1 94 . 14 1 1 A 13 13 SER C C 13 174.118 174.121 -0.003 1
1 95 . 14 1 1 A 13 13 SER CA C 13 58.375 60.119 -1.744 1
1 96 . 14 1 1 A 13 13 SER CB C 13 63.866 63.221 0.645 1
1 97 . 14 1 1 A 13 13 SER N N 13 116.982 120.413 -3.431 1
1 98 . 14 1 1 A 14 14 ALA H H 14 8.317 8.500 -0.183 1
1 99 . 14 1 1 A 14 14 ALA HA H 14 4.285 4.640 -0.355 1
1 103 . 14 1 1 A 14 14 ALA C C 14 177.298 177.160 0.138 1
1 104 . 14 1 1 A 14 14 ALA CA C 14 52.628 51.530 1.098 1
1 105 . 14 1 1 A 14 14 ALA CB C 14 19.192 22.317 -3.125 1
1 106 . 14 1 1 A 14 14 ALA N N 14 125.606 128.445 -2.839 1
1 107 . 14 1 1 A 15 15 GLN H H 15 8.221 8.674 -0.453 1
1 108 . 14 1 1 A 15 15 GLN HA H 15 4.237 4.145 0.092 1
1 115 . 14 1 1 A 15 15 GLN C C 15 174.741 174.813 -0.072 1
1 116 . 14 1 1 A 15 15 GLN CA C 15 55.925 58.704 -2.779 1
1 117 . 14 1 1 A 15 15 GLN CB C 15 29.990 28.235 1.755 1
1 119 . 14 1 1 A 15 15 GLN N N 15 119.248 119.796 -0.548 1
1 121 . 14 1 1 A 16 16 ASP H H 16 7.898 7.847 0.051 1
1 122 . 14 1 1 A 16 16 ASP HA H 16 4.714 5.039 -0.325 1
1 125 . 14 1 1 A 16 16 ASP C C 16 175.219 173.557 1.662 1
1 126 . 14 1 1 A 16 16 ASP CA C 16 53.387 53.085 0.302 1
1 127 . 14 1 1 A 16 16 ASP CB C 16 42.771 44.625 -1.854 1
1 128 . 14 1 1 A 16 16 ASP N N 16 119.674 117.735 1.939 1
1 129 . 14 1 1 A 17 17 ALA H H 17 8.256 8.440 -0.184 1
1 130 . 14 1 1 A 17 17 ALA HA H 17 4.549 4.850 -0.301 1
1 134 . 14 1 1 A 17 17 ALA C C 17 174.226 174.246 -0.020 1
1 135 . 14 1 1 A 17 17 ALA CA C 17 50.514 49.581 0.933 1
1 136 . 14 1 1 A 17 17 ALA CB C 17 16.689 22.497 -5.808 1
1 137 . 14 1 1 A 17 17 ALA N N 17 123.830 121.775 2.055 1
1 138 . 14 1 1 A 18 18 PRO HA H 18 4.247 4.712 -0.465 1
1 145 . 14 1 1 A 18 18 PRO CA C 18 63.135 62.712 0.423 1
1 146 . 14 1 1 A 18 18 PRO CB C 18 31.866 31.761 0.105 1
1 149 . 14 1 1 A 19 19 SER HA H 19 4.524 4.653 -0.129 1
1 152 . 14 1 1 A 19 19 SER C C 19 173.934 173.901 0.033 1
1 153 . 14 1 1 A 19 19 SER CA C 19 58.657 57.845 0.812 1
1 154 . 14 1 1 A 19 19 SER CB C 19 65.246 64.242 1.004 1
1 155 . 14 1 1 A 20 20 GLU H H 20 7.589 7.835 -0.246 1
1 156 . 14 1 1 A 20 20 GLU HA H 20 4.604 4.992 -0.388 1
1 161 . 14 1 1 A 20 20 GLU C C 20 175.082 175.047 0.035 1
1 162 . 14 1 1 A 20 20 GLU CA C 20 54.762 54.272 0.490 1
1 163 . 14 1 1 A 20 20 GLU CB C 20 33.405 32.624 0.781 1
1 165 . 14 1 1 A 20 20 GLU N N 20 121.739 118.807 2.932 1
1 166 . 14 1 1 A 21 21 ALA H H 21 8.564 8.686 -0.122 1
1 167 . 14 1 1 A 21 21 ALA HA H 21 4.995 4.894 0.101 1
1 171 . 14 1 1 A 21 21 ALA C C 21 175.731 174.379 1.352 1
1 172 . 14 1 1 A 21 21 ALA CA C 21 49.341 49.688 -0.347 1
1 173 . 14 1 1 A 21 21 ALA CB C 21 19.388 22.641 -3.253 1
1 174 . 14 1 1 A 21 21 ALA N N 21 125.054 122.364 2.690 1
1 175 . 14 1 1 A 22 22 PRO HA H 22 4.529 4.917 -0.388 1
1 182 . 14 1 1 A 22 22 PRO C C 22 174.830 176.987 -2.157 1
1 183 . 14 1 1 A 22 22 PRO CA C 22 63.076 62.765 0.311 1
1 184 . 14 1 1 A 22 22 PRO CB C 22 32.294 31.764 0.530 1
1 187 . 14 1 1 A 23 23 THR H H 23 7.442 8.418 -0.976 1
1 188 . 14 1 1 A 23 23 THR HA H 23 4.663 4.544 0.119 1
1 193 . 14 1 1 A 23 23 THR C C 23 172.878 174.759 -1.881 1
1 194 . 14 1 1 A 23 23 THR CA C 23 59.961 61.791 -1.830 1
1 195 . 14 1 1 A 23 23 THR CB C 23 72.337 69.641 2.696 1
1 197 . 14 1 1 A 23 23 THR N N 23 109.039 117.998 -8.959 1
1 198 . 14 1 1 A 24 24 GLU H H 24 8.782 8.967 -0.185 1
1 199 . 14 1 1 A 24 24 GLU HA H 24 3.911 3.799 0.112 1
1 204 . 14 1 1 A 24 24 GLU C C 24 175.816 174.893 0.923 1
1 205 . 14 1 1 A 24 24 GLU CA C 24 56.172 57.218 -1.046 1
1 206 . 14 1 1 A 24 24 GLU CB C 24 27.761 28.008 -0.247 1
1 208 . 14 1 1 A 24 24 GLU N N 24 115.227 119.137 -3.910 1
1 209 . 14 1 1 A 25 25 VAL H H 25 8.030 7.957 0.073 1
1 210 . 14 1 1 A 25 25 VAL HA H 25 4.891 4.712 0.179 1
1 218 . 14 1 1 A 25 25 VAL C C 25 177.065 175.553 1.512 1
1 219 . 14 1 1 A 25 25 VAL CA C 25 62.446 61.148 1.298 1
1 220 . 14 1 1 A 25 25 VAL CB C 25 31.471 33.411 -1.940 1
1 223 . 14 1 1 A 25 25 VAL N N 25 119.529 118.059 1.470 1
1 224 . 14 1 1 A 26 26 GLY H H 26 8.796 8.712 0.084 1
1 225 . 14 1 1 A 26 26 GLY HA2 H 26 4.420 4.488 -0.068 1
1 226 . 14 1 1 A 26 26 GLY HA3 H 26 3.646 4.490 -0.844 1
1 227 . 14 1 1 A 26 26 GLY C C 26 170.874 173.358 -2.484 1
1 228 . 14 1 1 A 26 26 GLY CA C 26 44.468 44.911 -0.443 1
1 229 . 14 1 1 A 26 26 GLY N N 26 114.560 114.860 -0.300 1
1 230 . 14 1 1 A 27 27 VAL H H 27 8.332 8.835 -0.503 1
1 231 . 14 1 1 A 27 27 VAL HA H 27 5.508 5.170 0.338 1
1 239 . 14 1 1 A 27 27 VAL C C 27 175.652 173.937 1.715 1
1 240 . 14 1 1 A 27 27 VAL CA C 27 58.279 60.005 -1.726 1
1 241 . 14 1 1 A 27 27 VAL CB C 27 36.230 34.769 1.461 1
1 244 . 14 1 1 A 27 27 VAL N N 27 110.792 116.532 -5.740 1
1 245 . 14 1 1 A 28 28 LYS H H 28 9.143 9.285 -0.142 1
1 246 . 14 1 1 A 28 28 LYS HA H 28 4.550 5.020 -0.470 1
1 254 . 14 1 1 A 28 28 LYS C C 28 175.150 175.614 -0.464 1
1 255 . 14 1 1 A 28 28 LYS CA C 28 55.396 54.933 0.463 1
1 256 . 14 1 1 A 28 28 LYS CB C 28 35.134 34.933 0.201 1
1 260 . 14 1 1 A 28 28 LYS N N 28 123.314 126.081 -2.767 1
1 261 . 14 1 1 A 29 29 VAL H H 29 9.190 8.981 0.209 1
1 262 . 14 1 1 A 29 29 VAL HA H 29 3.939 4.016 -0.077 1
1 270 . 14 1 1 A 29 29 VAL C C 29 176.162 175.500 0.662 1
1 271 . 14 1 1 A 29 29 VAL CA C 29 64.332 63.375 0.957 1
1 272 . 14 1 1 A 29 29 VAL CB C 29 31.417 31.152 0.265 1
1 275 . 14 1 1 A 29 29 VAL N N 29 127.176 127.377 -0.201 1
1 276 . 14 1 1 A 30 30 LEU H H 30 8.108 8.871 -0.763 1
1 277 . 14 1 1 A 30 30 LEU HA H 30 4.375 4.362 0.013 1
1 287 . 14 1 1 A 30 30 LEU C C 30 177.477 176.543 0.934 1
1 288 . 14 1 1 A 30 30 LEU CA C 30 55.886 56.066 -0.180 1
1 289 . 14 1 1 A 30 30 LEU CB C 30 42.498 42.402 0.096 1
1 293 . 14 1 1 A 30 30 LEU N N 30 128.053 129.116 -1.063 1
1 294 . 14 1 1 A 31 31 SER H H 31 8.152 7.938 0.214 1
1 295 . 14 1 1 A 31 31 SER HA H 31 4.748 4.757 -0.009 1
1 298 . 14 1 1 A 31 31 SER C C 31 173.427 174.469 -1.042 1
1 299 . 14 1 1 A 31 31 SER CA C 31 57.811 57.411 0.400 1
1 300 . 14 1 1 A 31 31 SER CB C 31 64.517 67.112 -2.595 1
1 301 . 14 1 1 A 31 31 SER N N 31 112.798 111.971 0.827 1
1 302 . 14 1 1 A 32 32 SER H H 32 8.450 8.771 -0.321 1
1 303 . 14 1 1 A 32 32 SER HA H 32 4.604 4.195 0.409 1
1 306 . 14 1 1 A 32 32 SER C C 32 172.423 174.971 -2.548 1
1 307 . 14 1 1 A 32 32 SER CA C 32 59.414 61.238 -1.824 1
1 308 . 14 1 1 A 32 32 SER CB C 32 63.903 62.419 1.484 1
1 309 . 14 1 1 A 32 32 SER N N 32 112.687 118.331 -5.644 1
1 310 . 14 1 1 A 33 33 SER H H 33 8.355 7.820 0.535 1
1 311 . 14 1 1 A 33 33 SER HA H 33 4.759 4.647 0.112 1
1 314 . 14 1 1 A 33 33 SER C C 33 173.940 173.394 0.546 1
1 315 . 14 1 1 A 33 33 SER CA C 33 57.229 57.146 0.083 1
1 316 . 14 1 1 A 33 33 SER CB C 33 66.786 63.701 3.085 1
1 317 . 14 1 1 A 33 33 SER N N 33 109.767 111.379 -1.612 1
1 318 . 14 1 1 A 34 34 GLU H H 34 6.978 7.804 -0.826 1
1 319 . 14 1 1 A 34 34 GLU HA H 34 5.487 5.177 0.310 1
1 324 . 14 1 1 A 34 34 GLU C C 34 175.294 174.970 0.324 1
1 325 . 14 1 1 A 34 34 GLU CA C 34 55.130 54.920 0.210 1
1 326 . 14 1 1 A 34 34 GLU CB C 34 35.711 33.437 2.274 1
1 328 . 14 1 1 A 34 34 GLU N N 34 119.009 120.442 -1.433 1
1 329 . 14 1 1 A 35 35 ILE H H 35 8.190 8.376 -0.186 1
1 330 . 14 1 1 A 35 35 ILE HA H 35 4.477 4.743 -0.266 1
1 340 . 14 1 1 A 35 35 ILE C C 35 173.681 173.730 -0.049 1
1 341 . 14 1 1 A 35 35 ILE CA C 35 60.203 60.223 -0.020 1
1 342 . 14 1 1 A 35 35 ILE CB C 35 43.791 41.337 2.454 1
1 346 . 14 1 1 A 35 35 ILE N N 35 120.691 122.954 -2.263 1
1 347 . 14 1 1 A 36 36 SER H H 36 9.269 8.929 0.340 1
1 348 . 14 1 1 A 36 36 SER HA H 36 5.300 5.200 0.100 1
1 351 . 14 1 1 A 36 36 SER C C 36 172.945 173.010 -0.065 1
1 352 . 14 1 1 A 36 36 SER CA C 36 56.549 56.959 -0.410 1
1 353 . 14 1 1 A 36 36 SER CB C 36 64.591 64.197 0.394 1
1 354 . 14 1 1 A 36 36 SER N N 36 120.471 122.474 -2.003 1
1 355 . 14 1 1 A 37 37 VAL H H 37 9.000 9.155 -0.155 1
1 356 . 14 1 1 A 37 37 VAL HA H 37 4.902 4.426 0.476 1
1 364 . 14 1 1 A 37 37 VAL C C 37 173.530 174.964 -1.434 1
1 365 . 14 1 1 A 37 37 VAL CA C 37 60.261 61.531 -1.270 1
1 366 . 14 1 1 A 37 37 VAL CB C 37 35.001 32.400 2.601 1
1 369 . 14 1 1 A 37 37 VAL N N 37 127.009 126.795 0.214 1
1 370 . 14 1 1 A 38 38 HIS H H 38 8.779 8.707 0.072 1
1 371 . 14 1 1 A 38 38 HIS HA H 38 5.238 4.944 0.294 1
1 376 . 14 1 1 A 38 38 HIS C C 38 173.545 175.100 -1.555 1
1 377 . 14 1 1 A 38 38 HIS CA C 38 54.991 54.773 0.218 1
1 378 . 14 1 1 A 38 38 HIS CB C 38 32.564 32.108 0.456 1
1 381 . 14 1 1 A 38 38 HIS N N 38 123.115 125.801 -2.686 1
1 382 . 14 1 1 A 39 39 TRP H H 39 7.682 8.117 -0.435 1
1 383 . 14 1 1 A 39 39 TRP HA H 39 5.044 5.403 -0.359 1
1 392 . 14 1 1 A 39 39 TRP C C 39 173.585 172.838 0.747 1
1 393 . 14 1 1 A 39 39 TRP CA C 39 57.170 55.367 1.803 1
1 394 . 14 1 1 A 39 39 TRP CB C 39 31.554 31.582 -0.028 1
1 400 . 14 1 1 A 39 39 TRP N N 39 116.447 119.379 -2.932 1
1 402 . 14 1 1 A 40 40 GLU H H 40 8.522 8.585 -0.063 1
1 403 . 14 1 1 A 40 40 GLU HA H 40 4.619 5.028 -0.409 1
1 408 . 14 1 1 A 40 40 GLU C C 40 177.186 176.807 0.379 1
1 409 . 14 1 1 A 40 40 GLU CA C 40 54.356 54.864 -0.508 1
1 410 . 14 1 1 A 40 40 GLU CB C 40 30.344 32.367 -2.023 1
1 412 . 14 1 1 A 40 40 GLU N N 40 117.208 120.946 -3.738 1
1 413 . 14 1 1 A 41 41 HIS H H 41 8.477 8.918 -0.441 1
1 414 . 14 1 1 A 41 41 HIS HA H 41 4.748 4.909 -0.161 1
1 419 . 14 1 1 A 41 41 HIS C C 41 177.474 175.807 1.667 1
1 420 . 14 1 1 A 41 41 HIS CA C 41 54.779 57.440 -2.661 1
1 421 . 14 1 1 A 41 41 HIS CB C 41 31.140 30.695 0.445 1
1 424 . 14 1 1 A 41 41 HIS N N 41 119.083 124.783 -5.700 1
1 425 . 14 1 1 A 42 42 VAL H H 42 7.680 8.415 -0.735 1
1 426 . 14 1 1 A 42 42 VAL HA H 42 4.428 4.403 0.025 1
1 434 . 14 1 1 A 42 42 VAL C C 42 175.401 177.368 -1.967 1
1 435 . 14 1 1 A 42 42 VAL CA C 42 60.878 61.870 -0.992 1
1 436 . 14 1 1 A 42 42 VAL CB C 42 32.216 33.236 -1.020 1
1 439 . 14 1 1 A 42 42 VAL N N 42 114.975 121.410 -6.435 1
1 440 . 14 1 1 A 43 43 LEU H H 43 9.107 8.761 0.346 1
1 441 . 14 1 1 A 43 43 LEU HA H 43 4.303 4.152 0.151 1
1 451 . 14 1 1 A 43 43 LEU C C 43 178.603 177.224 1.379 1
1 452 . 14 1 1 A 43 43 LEU CA C 43 55.872 57.533 -1.661 1
1 453 . 14 1 1 A 43 43 LEU CB C 43 41.684 41.622 0.062 1
1 457 . 14 1 1 A 43 43 LEU N N 43 123.877 122.908 0.969 1
1 458 . 14 1 1 A 44 44 GLU H H 44 7.988 7.856 0.132 1
1 459 . 14 1 1 A 44 44 GLU HA H 44 4.152 4.562 -0.410 1
1 464 . 14 1 1 A 44 44 GLU C C 44 177.236 176.322 0.914 1
1 465 . 14 1 1 A 44 44 GLU CA C 44 57.282 55.879 1.403 1
1 466 . 14 1 1 A 44 44 GLU CB C 44 31.033 30.899 0.134 1
1 468 . 14 1 1 A 44 44 GLU N N 44 119.655 120.528 -0.873 1
1 469 . 14 1 1 A 45 45 LYS H H 45 8.596 8.829 -0.233 1
1 470 . 14 1 1 A 45 45 LYS HA H 45 4.295 4.467 -0.172 1
1 479 . 14 1 1 A 45 45 LYS C C 45 177.258 177.379 -0.121 1
1 480 . 14 1 1 A 45 45 LYS CA C 45 57.170 56.325 0.845 1
1 481 . 14 1 1 A 45 45 LYS CB C 45 32.204 32.170 0.034 1
1 485 . 14 1 1 A 45 45 LYS N N 45 120.518 124.438 -3.920 1
1 486 . 14 1 1 A 46 46 ILE H H 46 7.212 7.764 -0.552 1
1 487 . 14 1 1 A 46 46 ILE HA H 46 4.371 4.022 0.349 1
1 497 . 14 1 1 A 46 46 ILE C C 46 175.191 176.311 -1.120 1
1 498 . 14 1 1 A 46 46 ILE CA C 46 60.666 64.152 -3.486 1
1 499 . 14 1 1 A 46 46 ILE CB C 46 37.531 37.541 -0.010 1
1 503 . 14 1 1 A 46 46 ILE N N 46 111.434 114.699 -3.265 1
1 504 . 14 1 1 A 47 47 VAL H H 47 7.378 7.383 -0.005 1
1 505 . 14 1 1 A 47 47 VAL HA H 47 3.658 3.863 -0.205 1
1 513 . 14 1 1 A 47 47 VAL C C 47 175.157 175.864 -0.707 1
1 514 . 14 1 1 A 47 47 VAL CA C 47 63.521 62.170 1.351 1
1 515 . 14 1 1 A 47 47 VAL CB C 47 33.570 32.410 1.160 1
1 518 . 14 1 1 A 47 47 VAL N N 47 122.780 122.428 0.352 1
1 519 . 14 1 1 A 48 48 GLU H H 48 8.733 9.035 -0.302 1
1 520 . 14 1 1 A 48 48 GLU HA H 48 4.615 4.415 0.200 1
1 525 . 14 1 1 A 48 48 GLU C C 48 176.241 176.094 0.147 1
1 526 . 14 1 1 A 48 48 GLU CA C 48 56.701 57.767 -1.066 1
1 527 . 14 1 1 A 48 48 GLU CB C 48 32.966 31.751 1.215 1
1 529 . 14 1 1 A 48 48 GLU N N 48 124.835 123.530 1.305 1
1 530 . 14 1 1 A 49 49 SER H H 49 8.130 7.427 0.703 1
1 531 . 14 1 1 A 49 49 SER HA H 49 4.726 4.951 -0.225 1
1 534 . 14 1 1 A 49 49 SER C C 49 171.371 171.637 -0.266 1
1 535 . 14 1 1 A 49 49 SER CA C 49 57.440 57.183 0.257 1
1 536 . 14 1 1 A 49 49 SER CB C 49 66.073 66.170 -0.097 1
1 537 . 14 1 1 A 49 49 SER N N 49 114.231 110.233 3.998 1
1 538 . 14 1 1 A 50 50 TYR H H 50 8.681 8.659 0.022 1
1 539 . 14 1 1 A 50 50 TYR HA H 50 5.057 4.917 0.140 1
1 546 . 14 1 1 A 50 50 TYR C C 50 174.034 174.595 -0.561 1
1 547 . 14 1 1 A 50 50 TYR CA C 50 57.434 56.380 1.054 1
1 548 . 14 1 1 A 50 50 TYR CB C 50 41.437 38.442 2.995 1
1 553 . 14 1 1 A 50 50 TYR N N 50 115.301 121.578 -6.277 1
1 554 . 14 1 1 A 51 51 GLN H H 51 9.200 8.341 0.859 1
1 555 . 14 1 1 A 51 51 GLN HA H 51 5.144 4.584 0.560 1
1 562 . 14 1 1 A 51 51 GLN C C 51 173.878 174.633 -0.755 1
1 563 . 14 1 1 A 51 51 GLN CA C 51 53.669 55.750 -2.081 1
1 564 . 14 1 1 A 51 51 GLN CB C 51 32.783 29.091 3.692 1
1 566 . 14 1 1 A 51 51 GLN N N 51 119.842 124.834 -4.992 1
1 568 . 14 1 1 A 52 52 ILE H H 52 9.441 9.129 0.312 1
1 569 . 14 1 1 A 52 52 ILE HA H 52 4.803 4.944 -0.141 1
1 579 . 14 1 1 A 52 52 ILE C C 52 174.953 174.318 0.635 1
1 580 . 14 1 1 A 52 52 ILE CA C 52 61.054 60.575 0.479 1
1 581 . 14 1 1 A 52 52 ILE CB C 52 39.108 38.038 1.070 1
1 585 . 14 1 1 A 52 52 ILE N N 52 128.547 129.028 -0.481 1
1 586 . 14 1 1 A 53 53 ARG H H 53 9.169 9.164 0.005 1
1 587 . 14 1 1 A 53 53 ARG HA H 53 5.628 5.250 0.378 1
1 594 . 14 1 1 A 53 53 ARG C C 53 174.869 175.876 -1.007 1
1 595 . 14 1 1 A 53 53 ARG CA C 53 54.479 55.276 -0.797 1
1 596 . 14 1 1 A 53 53 ARG CB C 53 33.942 31.131 2.811 1
1 599 . 14 1 1 A 53 53 ARG N N 53 127.779 129.424 -1.645 1
1 600 . 14 1 1 A 54 54 TYR H H 54 8.671 9.169 -0.498 1
1 601 . 14 1 1 A 54 54 TYR HA H 54 6.310 6.379 -0.069 1
1 608 . 14 1 1 A 54 54 TYR C C 54 173.965 173.776 0.189 1
1 609 . 14 1 1 A 54 54 TYR CA C 54 55.291 55.557 -0.266 1
1 610 . 14 1 1 A 54 54 TYR CB C 54 41.930 42.289 -0.359 1
1 615 . 14 1 1 A 54 54 TYR N N 54 117.929 123.117 -5.188 1
1 616 . 14 1 1 A 55 55 TRP H H 55 8.928 8.921 0.007 1
1 617 . 14 1 1 A 55 55 TRP HA H 55 5.054 5.251 -0.197 1
1 626 . 14 1 1 A 55 55 TRP C C 55 172.613 174.053 -1.440 1
1 627 . 14 1 1 A 55 55 TRP CA C 55 56.577 56.100 0.477 1
1 628 . 14 1 1 A 55 55 TRP CB C 55 32.118 31.504 0.614 1
1 634 . 14 1 1 A 55 55 TRP N N 55 121.459 118.220 3.239 1
1 636 . 14 1 1 A 56 56 ALA H H 56 8.870 8.029 0.841 1
1 637 . 14 1 1 A 56 56 ALA HA H 56 4.053 3.746 0.307 1
1 641 . 14 1 1 A 56 56 ALA C C 56 179.868 178.283 1.585 1
1 642 . 14 1 1 A 56 56 ALA CA C 56 50.478 51.961 -1.483 1
1 643 . 14 1 1 A 56 56 ALA CB C 56 19.108 18.529 0.579 1
1 644 . 14 1 1 A 56 56 ALA N N 56 124.214 123.173 1.041 1
1 645 . 14 1 1 A 57 57 ALA H H 57 8.147 8.171 -0.024 1
1 646 . 14 1 1 A 57 57 ALA HA H 57 3.913 4.062 -0.149 1
1 650 . 14 1 1 A 57 57 ALA C C 57 178.479 179.558 -1.079 1
1 651 . 14 1 1 A 57 57 ALA CA C 57 54.832 55.357 -0.525 1
1 652 . 14 1 1 A 57 57 ALA CB C 57 19.317 18.273 1.044 1
1 653 . 14 1 1 A 57 57 ALA N N 57 120.999 125.636 -4.637 1
1 654 . 14 1 1 A 58 58 HIS H H 58 7.274 7.452 -0.178 1
1 655 . 14 1 1 A 58 58 HIS HA H 58 4.605 4.492 0.113 1
1 660 . 14 1 1 A 58 58 HIS C C 58 175.349 175.412 -0.063 1
1 661 . 14 1 1 A 58 58 HIS CA C 58 56.066 57.991 -1.925 1
1 662 . 14 1 1 A 58 58 HIS CB C 58 29.780 29.373 0.407 1
1 665 . 14 1 1 A 58 58 HIS N N 58 109.961 112.412 -2.451 1
1 666 . 14 1 1 A 59 59 ASP H H 59 7.945 7.231 0.714 1
1 667 . 14 1 1 A 59 59 ASP HA H 59 4.869 4.683 0.186 1
1 670 . 14 1 1 A 59 59 ASP C C 59 175.895 176.165 -0.270 1
1 671 . 14 1 1 A 59 59 ASP CA C 59 53.898 54.811 -0.913 1
1 672 . 14 1 1 A 59 59 ASP CB C 59 42.385 41.352 1.033 1
1 673 . 14 1 1 A 59 59 ASP N N 59 123.825 121.098 2.727 1
1 674 . 14 1 1 A 60 60 LYS H H 60 8.147 8.903 -0.756 1
1 675 . 14 1 1 A 60 60 LYS HA H 60 4.197 4.482 -0.285 1
1 682 . 14 1 1 A 60 60 LYS C C 60 177.212 178.011 -0.799 1
1 683 . 14 1 1 A 60 60 LYS CA C 60 56.121 55.276 0.845 1
1 684 . 14 1 1 A 60 60 LYS CB C 60 32.951 33.357 -0.406 1
1 688 . 14 1 1 A 60 60 LYS N N 60 117.803 121.606 -3.803 1
1 689 . 14 1 1 A 61 61 GLU H H 61 8.381 8.517 -0.136 1
1 690 . 14 1 1 A 61 61 GLU HA H 61 2.603 3.301 -0.698 1
1 695 . 14 1 1 A 61 61 GLU C C 61 178.058 177.686 0.372 1
1 696 . 14 1 1 A 61 61 GLU CA C 61 58.622 58.002 0.620 1
1 697 . 14 1 1 A 61 61 GLU CB C 61 28.709 29.042 -0.333 1
1 699 . 14 1 1 A 61 61 GLU N N 61 122.310 121.544 0.766 1
1 700 . 14 1 1 A 62 62 GLU H H 62 8.470 8.234 0.236 1
1 701 . 14 1 1 A 62 62 GLU HA H 62 3.919 4.008 -0.089 1
1 706 . 14 1 1 A 62 62 GLU C C 62 176.293 177.785 -1.492 1
1 707 . 14 1 1 A 62 62 GLU CA C 62 57.899 59.034 -1.135 1
1 708 . 14 1 1 A 62 62 GLU CB C 62 28.796 29.123 -0.327 1
1 710 . 14 1 1 A 62 62 GLU N N 62 117.600 118.024 -0.424 1
1 711 . 14 1 1 A 63 63 ALA H H 63 7.760 7.334 0.426 1
1 712 . 14 1 1 A 63 63 ALA HA H 63 4.443 4.319 0.124 1
1 716 . 14 1 1 A 63 63 ALA C C 63 176.867 177.374 -0.507 1
1 717 . 14 1 1 A 63 63 ALA CA C 63 51.095 51.816 -0.721 1
1 718 . 14 1 1 A 63 63 ALA CB C 63 18.845 19.435 -0.590 1
1 719 . 14 1 1 A 63 63 ALA N N 63 123.067 120.726 2.341 1
1 720 . 14 1 1 A 64 64 ALA H H 64 7.389 7.264 0.125 1
1 721 . 14 1 1 A 64 64 ALA HA H 64 4.175 4.218 -0.043 1
1 725 . 14 1 1 A 64 64 ALA C C 64 177.784 177.213 0.571 1
1 726 . 14 1 1 A 64 64 ALA CA C 64 53.099 52.904 0.195 1
1 727 . 14 1 1 A 64 64 ALA CB C 64 19.784 19.005 0.779 1
1 728 . 14 1 1 A 64 64 ALA N N 64 121.409 122.324 -0.915 1
1 729 . 14 1 1 A 65 65 ASN H H 65 8.152 8.024 0.128 1
1 730 . 14 1 1 A 65 65 ASN HA H 65 4.714 4.789 -0.075 1
1 735 . 14 1 1 A 65 65 ASN C C 65 173.533 174.240 -0.707 1
1 736 . 14 1 1 A 65 65 ASN CA C 65 52.523 52.831 -0.308 1
1 737 . 14 1 1 A 65 65 ASN CB C 65 40.739 39.373 1.366 1
1 738 . 14 1 1 A 65 65 ASN N N 65 119.620 119.540 0.080 1
1 740 . 14 1 1 A 66 66 ARG H H 66 8.366 8.918 -0.552 1
1 741 . 14 1 1 A 66 66 ARG HA H 66 5.760 5.494 0.266 1
1 748 . 14 1 1 A 66 66 ARG C C 66 175.946 174.106 1.840 1
1 749 . 14 1 1 A 66 66 ARG CA C 66 54.902 55.033 -0.131 1
1 750 . 14 1 1 A 66 66 ARG CB C 66 34.116 33.950 0.166 1
1 753 . 14 1 1 A 66 66 ARG N N 66 116.911 117.365 -0.454 1
1 754 . 14 1 1 A 67 67 VAL H H 67 9.057 8.736 0.321 1
1 755 . 14 1 1 A 67 67 VAL HA H 67 4.520 4.642 -0.122 1
1 763 . 14 1 1 A 67 67 VAL C C 67 173.731 174.992 -1.261 1
1 764 . 14 1 1 A 67 67 VAL CA C 67 60.845 61.668 -0.823 1
1 765 . 14 1 1 A 67 67 VAL CB C 67 35.917 33.708 2.209 1
1 768 . 14 1 1 A 67 67 VAL N N 67 122.047 123.329 -1.282 1
1 769 . 14 1 1 A 68 68 GLN H H 68 8.741 8.767 -0.026 1
1 770 . 14 1 1 A 68 68 GLN HA H 68 5.543 5.137 0.406 1
1 777 . 14 1 1 A 68 68 GLN C C 68 175.452 175.444 0.008 1
1 778 . 14 1 1 A 68 68 GLN CA C 68 54.462 55.151 -0.689 1
1 779 . 14 1 1 A 68 68 GLN CB C 68 32.087 29.634 2.453 1
1 781 . 14 1 1 A 68 68 GLN N N 68 124.250 127.196 -2.946 1
1 783 . 14 1 1 A 69 69 VAL H H 69 8.912 8.859 0.053 1
1 784 . 14 1 1 A 69 69 VAL HA H 69 5.012 4.946 0.066 1
1 792 . 14 1 1 A 69 69 VAL C C 69 175.870 175.161 0.709 1
1 793 . 14 1 1 A 69 69 VAL CA C 69 59.045 58.971 0.074 1
1 794 . 14 1 1 A 69 69 VAL CB C 69 35.106 35.452 -0.346 1
1 797 . 14 1 1 A 69 69 VAL N N 69 117.045 118.504 -1.459 1
1 798 . 14 1 1 A 70 70 THR H H 70 8.491 8.631 -0.140 1
1 799 . 14 1 1 A 70 70 THR HA H 70 4.585 4.420 0.165 1
1 804 . 14 1 1 A 70 70 THR C C 70 175.015 176.077 -1.062 1
1 805 . 14 1 1 A 70 70 THR CA C 70 62.917 61.842 1.075 1
1 806 . 14 1 1 A 70 70 THR CB C 70 70.767 70.436 0.331 1
1 808 . 14 1 1 A 70 70 THR N N 70 111.495 114.073 -2.578 1
1 809 . 14 1 1 A 71 71 SER H H 71 7.522 9.178 -1.656 1
1 810 . 14 1 1 A 71 71 SER HA H 71 4.148 4.381 -0.233 1
1 813 . 14 1 1 A 71 71 SER C C 71 174.340 176.544 -2.204 1
1 814 . 14 1 1 A 71 71 SER CA C 71 59.749 61.498 -1.749 1
1 815 . 14 1 1 A 71 71 SER CB C 71 63.060 62.526 0.534 1
1 816 . 14 1 1 A 71 71 SER N N 71 111.553 117.216 -5.663 1
1 817 . 14 1 1 A 72 72 GLN H H 72 7.718 8.164 -0.446 1
1 818 . 14 1 1 A 72 72 GLN HA H 72 4.428 4.295 0.133 1
1 823 . 14 1 1 A 72 72 GLN C C 72 176.456 176.765 -0.309 1
1 824 . 14 1 1 A 72 72 GLN CA C 72 56.630 58.194 -1.564 1
1 825 . 14 1 1 A 72 72 GLN CB C 72 29.373 28.499 0.874 1
1 827 . 14 1 1 A 72 72 GLN N N 72 117.502 119.629 -2.127 1
1 829 . 14 1 1 A 73 73 GLU H H 73 7.650 7.727 -0.077 1
1 830 . 14 1 1 A 73 73 GLU HA H 73 4.408 4.567 -0.159 1
1 835 . 14 1 1 A 73 73 GLU C C 73 176.484 176.301 0.183 1
1 836 . 14 1 1 A 73 73 GLU CA C 73 56.472 55.910 0.562 1
1 837 . 14 1 1 A 73 73 GLU CB C 73 31.962 30.280 1.682 1
1 839 . 14 1 1 A 73 73 GLU N N 73 119.175 119.761 -0.586 1
1 840 . 14 1 1 A 74 74 TYR H H 74 8.615 8.816 -0.201 1
1 841 . 14 1 1 A 74 74 TYR HA H 74 3.427 4.232 -0.805 1
1 848 . 14 1 1 A 74 74 TYR C C 74 171.853 175.070 -3.217 1
1 849 . 14 1 1 A 74 74 TYR CA C 74 56.565 58.706 -2.141 1
1 850 . 14 1 1 A 74 74 TYR CB C 74 39.410 38.458 0.952 1
1 855 . 14 1 1 A 74 74 TYR N N 74 118.997 125.282 -6.285 1
1 856 . 14 1 1 A 75 75 SER H H 75 6.801 7.779 -0.978 1
1 857 . 14 1 1 A 75 75 SER HA H 75 5.001 4.381 0.620 1
1 860 . 14 1 1 A 75 75 SER C C 75 172.976 172.413 0.563 1
1 861 . 14 1 1 A 75 75 SER CA C 75 56.154 56.471 -0.317 1
1 862 . 14 1 1 A 75 75 SER CB C 75 66.541 66.264 0.277 1
1 863 . 14 1 1 A 75 75 SER N N 75 109.803 111.015 -1.212 1
1 864 . 14 1 1 A 76 76 ALA H H 76 8.897 8.953 -0.056 1
1 865 . 14 1 1 A 76 76 ALA HA H 76 4.604 5.368 -0.764 1
1 869 . 14 1 1 A 76 76 ALA C C 76 174.777 175.178 -0.401 1
1 870 . 14 1 1 A 76 76 ALA CA C 76 51.359 50.511 0.848 1
1 871 . 14 1 1 A 76 76 ALA CB C 76 23.140 24.000 -0.860 1
1 872 . 14 1 1 A 76 76 ALA N N 76 120.416 124.120 -3.704 1
1 873 . 14 1 1 A 77 77 ARG H H 77 8.529 8.667 -0.138 1
1 874 . 14 1 1 A 77 77 ARG HA H 77 4.681 5.063 -0.382 1
1 881 . 14 1 1 A 77 77 ARG C C 77 174.533 174.154 0.379 1
1 882 . 14 1 1 A 77 77 ARG CA C 77 54.973 54.350 0.623 1
1 883 . 14 1 1 A 77 77 ARG CB C 77 31.839 34.073 -2.234 1
1 886 . 14 1 1 A 77 77 ARG N N 77 121.172 120.258 0.914 1
1 887 . 14 1 1 A 78 78 LEU H H 78 9.089 9.227 -0.138 1
1 888 . 14 1 1 A 78 78 LEU HA H 78 4.396 4.991 -0.595 1
1 898 . 14 1 1 A 78 78 LEU C C 78 175.107 175.513 -0.406 1
1 899 . 14 1 1 A 78 78 LEU CA C 78 53.333 52.975 0.358 1
1 900 . 14 1 1 A 78 78 LEU CB C 78 41.272 44.934 -3.662 1
1 904 . 14 1 1 A 78 78 LEU N N 78 126.698 127.064 -0.366 1
1 905 . 14 1 1 A 79 79 GLU H H 79 8.239 8.779 -0.540 1
1 906 . 14 1 1 A 79 79 GLU HA H 79 5.034 5.069 -0.035 1
1 911 . 14 1 1 A 79 79 GLU C C 79 174.792 175.571 -0.779 1
1 912 . 14 1 1 A 79 79 GLU CA C 79 54.056 54.544 -0.488 1
1 913 . 14 1 1 A 79 79 GLU CB C 79 33.692 33.253 0.439 1
1 915 . 14 1 1 A 79 79 GLU N N 79 119.147 122.256 -3.109 1
1 916 . 14 1 1 A 80 80 ASN H H 80 9.068 8.701 0.367 1
1 917 . 14 1 1 A 80 80 ASN HA H 80 4.303 4.321 -0.018 1
1 922 . 14 1 1 A 80 80 ASN C C 80 174.823 174.096 0.727 1
1 923 . 14 1 1 A 80 80 ASN CA C 80 54.462 54.207 0.255 1
1 924 . 14 1 1 A 80 80 ASN CB C 80 37.359 37.082 0.277 1
1 925 . 14 1 1 A 80 80 ASN N N 80 113.324 116.489 -3.165 1
1 927 . 14 1 1 A 81 81 LEU H H 81 8.671 7.676 0.995 1
1 928 . 14 1 1 A 81 81 LEU HA H 81 4.252 4.624 -0.372 1
1 938 . 14 1 1 A 81 81 LEU C C 81 175.804 176.308 -0.504 1
1 939 . 14 1 1 A 81 81 LEU CA C 81 53.841 53.502 0.339 1
1 940 . 14 1 1 A 81 81 LEU CB C 81 40.891 43.413 -2.522 1
1 944 . 14 1 1 A 81 81 LEU N N 81 117.886 118.933 -1.047 1
1 945 . 14 1 1 A 82 82 LEU H H 82 8.448 8.740 -0.292 1
1 946 . 14 1 1 A 82 82 LEU HA H 82 4.600 4.684 -0.084 1
1 956 . 14 1 1 A 82 82 LEU C C 82 175.149 174.829 0.320 1
1 957 . 14 1 1 A 82 82 LEU CA C 82 52.629 53.567 -0.938 1
1 958 . 14 1 1 A 82 82 LEU CB C 82 42.449 41.629 0.820 1
1 962 . 14 1 1 A 82 82 LEU N N 82 121.118 124.030 -2.912 1
1 963 . 14 1 1 A 83 83 PRO HA H 83 5.237 4.420 0.817 1
1 970 . 14 1 1 A 83 83 PRO C C 83 178.145 177.308 0.837 1
1 971 . 14 1 1 A 83 83 PRO CA C 83 62.472 63.285 -0.813 1
1 972 . 14 1 1 A 83 83 PRO CB C 83 33.232 32.312 0.920 1
1 975 . 14 1 1 A 84 84 ASP H H 84 7.943 9.020 -1.077 1
1 976 . 14 1 1 A 84 84 ASP HA H 84 4.208 4.354 -0.146 1
1 979 . 14 1 1 A 84 84 ASP C C 84 174.476 174.806 -0.330 1
1 980 . 14 1 1 A 84 84 ASP CA C 84 54.250 55.074 -0.824 1
1 981 . 14 1 1 A 84 84 ASP CB C 84 41.568 39.550 2.018 1
1 982 . 14 1 1 A 84 84 ASP N N 84 126.496 121.571 4.925 1
1 983 . 14 1 1 A 85 85 THR H H 85 8.261 8.050 0.211 1
1 984 . 14 1 1 A 85 85 THR HA H 85 4.381 4.740 -0.359 1
1 989 . 14 1 1 A 85 85 THR C C 85 170.639 172.925 -2.286 1
1 990 . 14 1 1 A 85 85 THR CA C 85 62.951 60.970 1.981 1
1 991 . 14 1 1 A 85 85 THR CB C 85 72.217 71.894 0.323 1
1 993 . 14 1 1 A 85 85 THR N N 85 114.015 112.442 1.573 1
1 994 . 14 1 1 A 86 86 GLN H H 86 8.221 8.619 -0.398 1
1 995 . 14 1 1 A 86 86 GLN HA H 86 3.664 4.180 -0.516 1
1 1002 . 14 1 1 A 86 86 GLN C C 86 172.890 174.129 -1.239 1
1 1003 . 14 1 1 A 86 86 GLN CA C 86 54.585 55.270 -0.685 1
1 1004 . 14 1 1 A 86 86 GLN CB C 86 28.836 29.025 -0.189 1
1 1006 . 14 1 1 A 86 86 GLN N N 86 127.039 126.589 0.450 1
1 1008 . 14 1 1 A 87 87 TYR H H 87 8.976 8.614 0.362 1
1 1009 . 14 1 1 A 87 87 TYR HA H 87 4.583 4.796 -0.213 1
1 1016 . 14 1 1 A 87 87 TYR C C 87 173.534 174.783 -1.249 1
1 1017 . 14 1 1 A 87 87 TYR CA C 87 57.599 56.279 1.320 1
1 1018 . 14 1 1 A 87 87 TYR CB C 87 42.344 40.694 1.650 1
1 1023 . 14 1 1 A 87 87 TYR N N 87 126.060 124.528 1.532 1
1 1024 . 14 1 1 A 88 88 PHE H H 88 8.388 8.377 0.011 1
1 1025 . 14 1 1 A 88 88 PHE HA H 88 4.902 4.697 0.205 1
1 1033 . 14 1 1 A 88 88 PHE C C 88 175.238 174.834 0.404 1
1 1034 . 14 1 1 A 88 88 PHE CA C 88 55.872 57.204 -1.332 1
1 1035 . 14 1 1 A 88 88 PHE CB C 88 40.284 37.520 2.764 1
1 1041 . 14 1 1 A 88 88 PHE N N 88 118.991 123.028 -4.037 1
1 1042 . 14 1 1 A 89 89 ILE H H 89 8.450 8.737 -0.287 1
1 1043 . 14 1 1 A 89 89 ILE HA H 89 4.913 5.021 -0.108 1
1 1053 . 14 1 1 A 89 89 ILE C C 89 174.770 175.348 -0.578 1
1 1054 . 14 1 1 A 89 89 ILE CA C 89 60.472 60.243 0.229 1
1 1055 . 14 1 1 A 89 89 ILE CB C 89 43.167 39.495 3.672 1
1 1059 . 14 1 1 A 89 89 ILE N N 89 118.943 125.484 -6.541 1
1 1060 . 14 1 1 A 90 90 GLU H H 90 9.071 9.071 0.000 1
1 1061 . 14 1 1 A 90 90 GLU HA H 90 4.558 5.196 -0.638 1
1 1066 . 14 1 1 A 90 90 GLU C C 90 173.981 175.432 -1.451 1
1 1067 . 14 1 1 A 90 90 GLU CA C 90 54.831 54.937 -0.106 1
1 1068 . 14 1 1 A 90 90 GLU CB C 90 35.052 32.815 2.237 1
1 1070 . 14 1 1 A 90 90 GLU N N 90 124.044 125.928 -1.884 1
1 1071 . 14 1 1 A 91 91 VAL H H 91 8.564 8.767 -0.203 1
1 1072 . 14 1 1 A 91 91 VAL HA H 91 4.968 4.964 0.004 1
1 1080 . 14 1 1 A 91 91 VAL C C 91 174.488 175.218 -0.730 1
1 1081 . 14 1 1 A 91 91 VAL CA C 91 60.525 60.727 -0.202 1
1 1082 . 14 1 1 A 91 91 VAL CB C 91 34.308 33.066 1.242 1
1 1085 . 14 1 1 A 91 91 VAL N N 91 121.165 125.074 -3.909 1
1 1086 . 14 1 1 A 92 92 GLY H H 92 8.941 8.717 0.224 1
1 1087 . 14 1 1 A 92 92 GLY HA2 H 92 4.571 4.264 0.307 1
1 1088 . 14 1 1 A 92 92 GLY HA3 H 92 3.581 4.268 -0.687 1
1 1089 . 14 1 1 A 92 92 GLY C C 92 171.577 172.184 -0.607 1
1 1090 . 14 1 1 A 92 92 GLY CA C 92 43.640 44.570 -0.930 1
1 1091 . 14 1 1 A 92 92 GLY N N 92 112.251 114.818 -2.567 1
1 1092 . 14 1 1 A 93 93 ALA H H 93 10.001 8.603 1.398 1
1 1093 . 14 1 1 A 93 93 ALA HA H 93 4.560 4.024 0.536 1
1 1097 . 14 1 1 A 93 93 ALA C C 93 176.786 176.972 -0.186 1
1 1098 . 14 1 1 A 93 93 ALA CA C 93 51.060 52.040 -0.980 1
1 1099 . 14 1 1 A 93 93 ALA CB C 93 21.088 19.052 2.036 1
1 1100 . 14 1 1 A 93 93 ALA N N 93 126.200 126.260 -0.060 1
1 1101 . 14 1 1 A 94 94 CYS H H 94 8.739 8.224 0.515 1
1 1102 . 14 1 1 A 94 94 CYS HA H 94 5.214 4.960 0.254 1
1 1105 . 14 1 1 A 94 94 CYS C C 94 174.087 173.235 0.852 1
1 1106 . 14 1 1 A 94 94 CYS CA C 94 57.088 57.779 -0.691 1
1 1107 . 14 1 1 A 94 94 CYS CB C 94 31.345 31.761 -0.416 1
1 1108 . 14 1 1 A 94 94 CYS N N 94 118.064 118.962 -0.898 1
1 1109 . 14 1 1 A 95 95 ASN H H 95 8.968 8.348 0.620 1
1 1110 . 14 1 1 A 95 95 ASN HA H 95 4.593 4.990 -0.397 1
1 1115 . 14 1 1 A 95 95 ASN C C 95 176.009 175.963 0.046 1
1 1116 . 14 1 1 A 95 95 ASN CA C 95 52.981 50.825 2.156 1
1 1117 . 14 1 1 A 95 95 ASN CB C 95 39.336 39.729 -0.393 1
1 1118 . 14 1 1 A 95 95 ASN N N 95 121.604 121.290 0.314 1
1 1120 . 14 1 1 A 96 96 SER H H 96 8.483 8.950 -0.467 1
1 1121 . 14 1 1 A 96 96 SER HA H 96 4.085 4.115 -0.030 1
1 1124 . 14 1 1 A 96 96 SER C C 96 174.700 176.450 -1.750 1
1 1125 . 14 1 1 A 96 96 SER CA C 96 61.600 61.077 0.523 1
1 1126 . 14 1 1 A 96 96 SER CB C 96 62.794 62.524 0.270 1
1 1127 . 14 1 1 A 96 96 SER N N 96 113.664 114.635 -0.971 1
1 1128 . 14 1 1 A 97 97 ALA H H 97 8.187 7.821 0.366 1
1 1129 . 14 1 1 A 97 97 ALA HA H 97 4.357 4.086 0.271 1
1 1133 . 14 1 1 A 97 97 ALA C C 97 177.600 176.678 0.922 1
1 1134 . 14 1 1 A 97 97 ALA CA C 97 52.681 55.063 -2.382 1
1 1135 . 14 1 1 A 97 97 ALA CB C 97 19.192 19.097 0.095 1
1 1136 . 14 1 1 A 97 97 ALA N N 97 123.374 121.809 1.565 1
1 1137 . 14 1 1 A 98 98 GLY H H 98 7.800 8.066 -0.266 1
1 1138 . 14 1 1 A 98 98 GLY HA2 H 98 4.444 4.166 0.278 1
1 1139 . 14 1 1 A 98 98 GLY HA3 H 98 3.840 4.167 -0.327 1
1 1140 . 14 1 1 A 98 98 GLY C C 98 171.071 172.882 -1.811 1
1 1141 . 14 1 1 A 98 98 GLY CA C 98 44.809 43.969 0.840 1
1 1142 . 14 1 1 A 98 98 GLY N N 98 106.029 103.537 2.492 1
1 1143 . 14 1 1 A 99 99 CYS H H 99 8.399 8.566 -0.167 1
1 1144 . 14 1 1 A 99 99 CYS HA H 99 4.891 5.325 -0.434 1
1 1147 . 14 1 1 A 99 99 CYS C C 99 175.557 174.328 1.229 1
1 1148 . 14 1 1 A 99 99 CYS CA C 99 57.670 57.485 0.185 1
1 1149 . 14 1 1 A 99 99 CYS CB C 99 29.469 29.850 -0.381 1
1 1150 . 14 1 1 A 99 99 CYS N N 99 117.855 117.248 0.607 1
1 1151 . 14 1 1 A 100 100 GLY H H 100 8.930 8.527 0.403 1
1 1152 . 14 1 1 A 100 100 GLY HA2 H 100 4.282 4.240 0.042 1
1 1153 . 14 1 1 A 100 100 GLY HA3 H 100 3.764 4.253 -0.489 1
1 1154 . 14 1 1 A 100 100 GLY C C 100 170.974 172.218 -1.244 1
1 1155 . 14 1 1 A 100 100 GLY CA C 100 45.578 43.675 1.903 1
1 1156 . 14 1 1 A 100 100 GLY N N 100 113.025 109.311 3.714 1
1 1157 . 14 1 1 A 101 101 PRO HA H 101 4.616 4.603 0.013 1
1 1164 . 14 1 1 A 101 101 PRO CA C 101 60.598 62.204 -1.606 1
1 1165 . 14 1 1 A 101 101 PRO CB C 101 30.874 32.034 -1.160 1
1 1168 . 14 1 1 A 102 102 PRO HA H 102 4.659 4.510 0.149 1
1 1175 . 14 1 1 A 102 102 PRO C C 102 178.078 176.506 1.572 1
1 1176 . 14 1 1 A 102 102 PRO CA C 102 62.111 62.444 -0.333 1
1 1177 . 14 1 1 A 102 102 PRO CB C 102 32.383 31.930 0.453 1
1 1180 . 14 1 1 A 103 103 SER H H 103 8.732 8.326 0.406 1
1 1181 . 14 1 1 A 103 103 SER HA H 103 4.222 4.642 -0.420 1
1 1184 . 14 1 1 A 103 103 SER C C 103 173.155 173.963 -0.808 1
1 1185 . 14 1 1 A 103 103 SER CA C 103 58.321 57.458 0.863 1
1 1186 . 14 1 1 A 103 103 SER CB C 103 65.815 65.401 0.414 1
1 1187 . 14 1 1 A 103 103 SER N N 103 113.387 114.692 -1.305 1
1 1188 . 14 1 1 A 104 104 ASP H H 104 8.248 8.804 -0.556 1
1 1189 . 14 1 1 A 104 104 ASP HA H 104 4.472 4.496 -0.024 1
1 1192 . 14 1 1 A 104 104 ASP C C 104 176.703 176.489 0.214 1
1 1193 . 14 1 1 A 104 104 ASP CA C 104 55.573 55.015 0.558 1
1 1194 . 14 1 1 A 104 104 ASP CB C 104 40.583 41.679 -1.096 1
1 1195 . 14 1 1 A 104 104 ASP N N 104 119.021 120.985 -1.964 1
1 1196 . 14 1 1 A 105 105 MET H H 105 8.460 8.476 -0.016 1
1 1197 . 14 1 1 A 105 105 MET HA H 105 4.542 4.764 -0.222 1
1 1205 . 14 1 1 A 105 105 MET C C 105 175.687 174.884 0.803 1
1 1206 . 14 1 1 A 105 105 MET CA C 105 56.348 54.795 1.553 1
1 1207 . 14 1 1 A 105 105 MET CB C 105 33.610 32.425 1.185 1
1 1210 . 14 1 1 A 105 105 MET N N 105 124.915 121.436 3.479 1
1 1211 . 14 1 1 A 106 106 ILE H H 106 8.914 8.426 0.488 1
1 1212 . 14 1 1 A 106 106 ILE HA H 106 4.571 4.882 -0.311 1
1 1222 . 14 1 1 A 106 106 ILE C C 106 173.498 175.645 -2.147 1
1 1223 . 14 1 1 A 106 106 ILE CA C 106 59.185 60.279 -1.094 1
1 1224 . 14 1 1 A 106 106 ILE CB C 106 40.786 39.646 1.140 1
1 1228 . 14 1 1 A 106 106 ILE N N 106 126.141 127.065 -0.924 1
1 1229 . 14 1 1 A 107 107 GLU H H 107 7.999 9.155 -1.156 1
1 1230 . 14 1 1 A 107 107 GLU HA H 107 5.373 4.823 0.550 1
1 1235 . 14 1 1 A 107 107 GLU C C 107 175.263 175.113 0.150 1
1 1236 . 14 1 1 A 107 107 GLU CA C 107 53.343 54.454 -1.111 1
1 1237 . 14 1 1 A 107 107 GLU CB C 107 32.951 32.425 0.526 1
1 1239 . 14 1 1 A 107 107 GLU N N 107 121.346 123.518 -2.172 1
1 1240 . 14 1 1 A 108 108 ALA H H 108 8.685 8.962 -0.277 1
1 1241 . 14 1 1 A 108 108 ALA HA H 108 4.549 5.487 -0.938 1
1 1245 . 14 1 1 A 108 108 ALA C C 108 174.431 175.611 -1.180 1
1 1246 . 14 1 1 A 108 108 ALA CA C 108 51.113 49.856 1.257 1
1 1247 . 14 1 1 A 108 108 ALA CB C 108 23.724 22.627 1.097 1
1 1248 . 14 1 1 A 108 108 ALA N N 108 123.009 124.968 -1.959 1
1 1249 . 14 1 1 A 109 109 PHE H H 109 8.519 9.103 -0.584 1
1 1250 . 14 1 1 A 109 109 PHE HA H 109 5.481 5.181 0.300 1
1 1258 . 14 1 1 A 109 109 PHE C C 109 177.604 176.021 1.583 1
1 1259 . 14 1 1 A 109 109 PHE CA C 109 55.854 56.756 -0.902 1
1 1260 . 14 1 1 A 109 109 PHE CB C 109 41.019 40.584 0.435 1
1 1266 . 14 1 1 A 109 109 PHE N N 109 119.997 119.000 0.997 1
1 1267 . 14 1 1 A 110 110 THR H H 110 8.839 8.488 0.351 1
1 1268 . 14 1 1 A 110 110 THR HA H 110 4.103 4.642 -0.539 1
1 1273 . 14 1 1 A 110 110 THR C C 110 175.354 174.541 0.813 1
1 1274 . 14 1 1 A 110 110 THR CA C 110 61.763 61.338 0.425 1
1 1275 . 14 1 1 A 110 110 THR CB C 110 69.356 70.487 -1.131 1
1 1277 . 14 1 1 A 110 110 THR N N 110 112.067 116.472 -4.405 1
1 1278 . 14 1 1 A 111 111 LYS H H 111 6.542 8.399 -1.857 1
1 1279 . 14 1 1 A 111 111 LYS HA H 111 4.208 4.536 -0.328 1
1 1288 . 14 1 1 A 111 111 LYS C C 111 176.693 177.138 -0.445 1
1 1289 . 14 1 1 A 111 111 LYS CA C 111 56.383 55.149 1.234 1
1 1290 . 14 1 1 A 111 111 LYS CB C 111 33.447 33.652 -0.205 1
1 1294 . 14 1 1 A 111 111 LYS N N 111 116.497 120.787 -4.290 1
1 1295 . 14 1 1 A 112 112 LYS H H 112 8.230 8.499 -0.269 1
1 1296 . 14 1 1 A 112 112 LYS HA H 112 4.143 4.414 -0.271 1
1 1304 . 14 1 1 A 112 112 LYS C C 112 176.823 176.647 0.176 1
1 1305 . 14 1 1 A 112 112 LYS CA C 112 57.229 56.594 0.635 1
1 1306 . 14 1 1 A 112 112 LYS CB C 112 33.528 32.925 0.603 1
1 1310 . 14 1 1 A 112 112 LYS N N 112 118.783 121.653 -2.870 1
1 1311 . 14 1 1 A 113 113 ALA H H 113 8.762 8.276 0.486 1
1 1312 . 14 1 1 A 113 113 ALA HA H 113 4.338 4.168 0.170 1
1 1316 . 14 1 1 A 113 113 ALA C C 113 177.688 177.310 0.378 1
1 1317 . 14 1 1 A 113 113 ALA CA C 113 52.417 52.956 -0.539 1
1 1318 . 14 1 1 A 113 113 ALA CB C 113 19.272 19.288 -0.016 1
1 1319 . 14 1 1 A 113 113 ALA N N 113 124.432 126.921 -2.489 1
1 1320 . 14 1 1 A 114 114 SER H H 114 8.386 8.627 -0.241 1
1 1321 . 14 1 1 A 114 114 SER HA H 114 4.487 4.140 0.347 1
1 1324 . 14 1 1 A 114 114 SER C C 114 174.474 174.617 -0.143 1
1 1325 . 14 1 1 A 114 114 SER CA C 114 58.063 59.733 -1.670 1
1 1326 . 14 1 1 A 114 114 SER CB C 114 64.012 63.361 0.651 1
1 1327 . 14 1 1 A 114 114 SER N N 114 115.798 118.426 -2.628 1
1 1328 . 14 1 1 A 115 115 GLY H H 115 8.278 8.678 -0.400 1
1 1329 . 14 1 1 A 115 115 GLY HA2 H 115 4.172 4.199 -0.027 1
1 1330 . 14 1 1 A 115 115 GLY HA3 H 115 4.094 4.201 -0.107 1
1 1331 . 14 1 1 A 115 115 GLY C C 115 171.799 172.791 -0.992 1
1 1332 . 14 1 1 A 115 115 GLY CA C 115 44.662 44.728 -0.066 1
1 1333 . 14 1 1 A 115 115 GLY N N 115 110.600 113.811 -3.211 1
1 1334 . 14 1 1 A 116 116 PRO HA H 116 4.472 4.725 -0.253 1
1 1341 . 14 1 1 A 116 116 PRO C C 116 177.440 176.843 0.597 1
1 1342 . 14 1 1 A 116 116 PRO CA C 116 63.275 62.517 0.758 1
1 1343 . 14 1 1 A 116 116 PRO CB C 116 32.169 30.474 1.695 1
1 1346 . 14 1 1 A 117 117 SER HA H 117 4.505 4.698 -0.193 1
1 1348 . 14 1 1 A 117 117 SER C C 117 174.652 173.789 0.863 1
1 1349 . 14 1 1 A 117 117 SER CA C 117 58.393 57.105 1.288 1
1 1350 . 14 1 1 A 117 117 SER CB C 117 63.899 64.962 -1.063 1
1 1351 . 14 1 1 A 117 117 SER N N 117 116.140 115.145 0.995 1
1 1352 . 14 1 1 A 118 118 SER H H 118 8.314 8.374 -0.060 1
1 1353 . 14 1 1 A 118 118 SER HA H 118 4.494 4.963 -0.469 1
1 1355 . 14 1 1 A 118 118 SER C C 118 173.938 174.532 -0.594 1
1 1356 . 14 1 1 A 118 118 SER CA C 118 58.428 56.360 2.068 1
1 1357 . 14 1 1 A 118 118 SER CB C 118 63.929 65.781 -1.852 1
1 1358 . 14 1 1 A 118 118 SER N N 118 117.760 117.173 0.587 1
1 6 . 15 1 1 A 4 4 GLY H H 4 8.507 8.504 0.003 1
1 7 . 15 1 1 A 4 4 GLY HA2 H 4 4.513 3.989 0.524 1
1 8 . 15 1 1 A 4 4 GLY HA3 H 4 3.859 3.989 -0.130 1
1 9 . 15 1 1 A 4 4 GLY CA C 4 44.199 45.672 -1.473 1
1 10 . 15 1 1 A 4 4 GLY N N 4 116.148 110.213 5.935 1
1 11 . 15 1 1 A 6 6 SER HA H 6 4.472 5.057 -0.585 1
1 13 . 15 1 1 A 6 6 SER C C 6 174.998 173.237 1.761 1
1 14 . 15 1 1 A 6 6 SER CA C 6 58.657 57.417 1.240 1
1 15 . 15 1 1 A 6 6 SER CB C 6 64.025 66.430 -2.405 1
1 16 . 15 1 1 A 7 7 GLY H H 7 8.399 9.009 -0.610 1
1 17 . 15 1 1 A 7 7 GLY HA2 H 7 3.963 4.069 -0.106 1
1 18 . 15 1 1 A 7 7 GLY HA3 H 7 3.963 4.070 -0.107 1
1 19 . 15 1 1 A 7 7 GLY C C 7 173.942 173.008 0.934 1
1 20 . 15 1 1 A 7 7 GLY CA C 7 45.332 45.283 0.049 1
1 21 . 15 1 1 A 7 7 GLY N N 7 110.856 112.343 -1.487 1
1 22 . 15 1 1 A 8 8 VAL H H 8 7.919 8.509 -0.590 1
1 23 . 15 1 1 A 8 8 VAL HA H 8 4.101 4.289 -0.188 1
1 31 . 15 1 1 A 8 8 VAL C C 8 175.827 175.782 0.045 1
1 32 . 15 1 1 A 8 8 VAL CA C 8 61.987 63.117 -1.130 1
1 33 . 15 1 1 A 8 8 VAL CB C 8 32.786 31.709 1.077 1
1 36 . 15 1 1 A 8 8 VAL N N 8 119.305 125.316 -6.011 1
1 37 . 15 1 1 A 9 9 ALA H H 9 8.367 8.823 -0.456 1
1 38 . 15 1 1 A 9 9 ALA HA H 9 4.329 5.008 -0.679 1
1 42 . 15 1 1 A 9 9 ALA C C 9 177.422 175.441 1.981 1
1 43 . 15 1 1 A 9 9 ALA CA C 9 52.399 52.424 -0.025 1
1 44 . 15 1 1 A 9 9 ALA CB C 9 19.317 20.261 -0.944 1
1 45 . 15 1 1 A 9 9 ALA N N 9 128.175 128.435 -0.260 1
1 46 . 15 1 1 A 10 10 VAL H H 10 8.154 8.808 -0.654 1
1 47 . 15 1 1 A 10 10 VAL HA H 10 4.046 4.571 -0.525 1
1 55 . 15 1 1 A 10 10 VAL C C 10 176.076 175.077 0.999 1
1 56 . 15 1 1 A 10 10 VAL CA C 10 62.288 59.967 2.321 1
1 57 . 15 1 1 A 10 10 VAL CB C 10 32.786 34.707 -1.921 1
1 60 . 15 1 1 A 10 10 VAL N N 10 120.641 121.686 -1.045 1
1 61 . 15 1 1 A 11 11 ILE H H 11 8.261 8.538 -0.277 1
1 62 . 15 1 1 A 11 11 ILE HA H 11 4.148 3.630 0.518 1
1 72 . 15 1 1 A 11 11 ILE C C 11 175.857 174.874 0.983 1
1 73 . 15 1 1 A 11 11 ILE CA C 11 60.842 62.291 -1.449 1
1 74 . 15 1 1 A 11 11 ILE CB C 11 38.776 36.448 2.328 1
1 78 . 15 1 1 A 11 11 ILE N N 11 125.253 126.766 -1.513 1
1 79 . 15 1 1 A 12 12 ASN H H 12 8.575 7.839 0.736 1
1 80 . 15 1 1 A 12 12 ASN HA H 12 4.737 4.725 0.012 1
1 85 . 15 1 1 A 12 12 ASN C C 12 175.004 174.684 0.320 1
1 86 . 15 1 1 A 12 12 ASN CA C 12 53.087 53.141 -0.054 1
1 87 . 15 1 1 A 12 12 ASN CB C 12 39.076 39.203 -0.127 1
1 88 . 15 1 1 A 12 12 ASN N N 12 123.538 119.291 4.247 1
1 90 . 15 1 1 A 13 13 SER H H 13 8.317 8.620 -0.303 1
1 91 . 15 1 1 A 13 13 SER HA H 13 4.373 5.195 -0.822 1
1 94 . 15 1 1 A 13 13 SER C C 13 174.118 173.496 0.622 1
1 95 . 15 1 1 A 13 13 SER CA C 13 58.375 57.791 0.584 1
1 96 . 15 1 1 A 13 13 SER CB C 13 63.866 64.217 -0.351 1
1 97 . 15 1 1 A 13 13 SER N N 13 116.982 117.890 -0.908 1
1 98 . 15 1 1 A 14 14 ALA H H 14 8.317 8.911 -0.594 1
1 99 . 15 1 1 A 14 14 ALA HA H 14 4.285 4.871 -0.586 1
1 103 . 15 1 1 A 14 14 ALA C C 14 177.298 175.881 1.417 1
1 104 . 15 1 1 A 14 14 ALA CA C 14 52.628 50.767 1.861 1
1 105 . 15 1 1 A 14 14 ALA CB C 14 19.192 23.809 -4.617 1
1 106 . 15 1 1 A 14 14 ALA N N 14 125.606 128.484 -2.878 1
1 107 . 15 1 1 A 15 15 GLN H H 15 8.221 8.501 -0.280 1
1 108 . 15 1 1 A 15 15 GLN HA H 15 4.237 4.652 -0.415 1
1 115 . 15 1 1 A 15 15 GLN C C 15 174.741 175.156 -0.415 1
1 116 . 15 1 1 A 15 15 GLN CA C 15 55.925 55.992 -0.067 1
1 117 . 15 1 1 A 15 15 GLN CB C 15 29.990 30.886 -0.896 1
1 119 . 15 1 1 A 15 15 GLN N N 15 119.248 117.083 2.165 1
1 121 . 15 1 1 A 16 16 ASP H H 16 7.898 7.641 0.257 1
1 122 . 15 1 1 A 16 16 ASP HA H 16 4.714 5.008 -0.294 1
1 125 . 15 1 1 A 16 16 ASP C C 16 175.219 173.887 1.332 1
1 126 . 15 1 1 A 16 16 ASP CA C 16 53.387 53.504 -0.117 1
1 127 . 15 1 1 A 16 16 ASP CB C 16 42.771 43.832 -1.061 1
1 128 . 15 1 1 A 16 16 ASP N N 16 119.674 118.545 1.129 1
1 129 . 15 1 1 A 17 17 ALA H H 17 8.256 8.430 -0.174 1
1 130 . 15 1 1 A 17 17 ALA HA H 17 4.549 4.765 -0.216 1
1 134 . 15 1 1 A 17 17 ALA C C 17 174.226 174.102 0.124 1
1 135 . 15 1 1 A 17 17 ALA CA C 17 50.514 49.970 0.544 1
1 136 . 15 1 1 A 17 17 ALA CB C 17 16.689 22.409 -5.720 1
1 137 . 15 1 1 A 17 17 ALA N N 17 123.830 122.867 0.963 1
1 138 . 15 1 1 A 18 18 PRO HA H 18 4.247 4.792 -0.545 1
1 145 . 15 1 1 A 18 18 PRO CA C 18 63.135 62.715 0.420 1
1 146 . 15 1 1 A 18 18 PRO CB C 18 31.866 32.587 -0.721 1
1 149 . 15 1 1 A 19 19 SER HA H 19 4.524 4.595 -0.071 1
1 152 . 15 1 1 A 19 19 SER C C 19 173.934 173.962 -0.028 1
1 153 . 15 1 1 A 19 19 SER CA C 19 58.657 58.325 0.332 1
1 154 . 15 1 1 A 19 19 SER CB C 19 65.246 65.508 -0.262 1
1 155 . 15 1 1 A 20 20 GLU H H 20 7.589 7.691 -0.102 1
1 156 . 15 1 1 A 20 20 GLU HA H 20 4.604 4.868 -0.264 1
1 161 . 15 1 1 A 20 20 GLU C C 20 175.082 174.966 0.116 1
1 162 . 15 1 1 A 20 20 GLU CA C 20 54.762 55.587 -0.825 1
1 163 . 15 1 1 A 20 20 GLU CB C 20 33.405 32.124 1.281 1
1 165 . 15 1 1 A 20 20 GLU N N 20 121.739 121.416 0.323 1
1 166 . 15 1 1 A 21 21 ALA H H 21 8.564 8.598 -0.034 1
1 167 . 15 1 1 A 21 21 ALA HA H 21 4.995 4.859 0.136 1
1 171 . 15 1 1 A 21 21 ALA C C 21 175.731 174.569 1.162 1
1 172 . 15 1 1 A 21 21 ALA CA C 21 49.341 49.627 -0.286 1
1 173 . 15 1 1 A 21 21 ALA CB C 21 19.388 22.353 -2.965 1
1 174 . 15 1 1 A 21 21 ALA N N 21 125.054 127.529 -2.475 1
1 175 . 15 1 1 A 22 22 PRO HA H 22 4.529 4.921 -0.392 1
1 182 . 15 1 1 A 22 22 PRO C C 22 174.830 177.104 -2.274 1
1 183 . 15 1 1 A 22 22 PRO CA C 22 63.076 62.651 0.425 1
1 184 . 15 1 1 A 22 22 PRO CB C 22 32.294 31.489 0.805 1
1 187 . 15 1 1 A 23 23 THR H H 23 7.442 8.475 -1.033 1
1 188 . 15 1 1 A 23 23 THR HA H 23 4.663 4.567 0.096 1
1 193 . 15 1 1 A 23 23 THR C C 23 172.878 174.811 -1.933 1
1 194 . 15 1 1 A 23 23 THR CA C 23 59.961 61.786 -1.825 1
1 195 . 15 1 1 A 23 23 THR CB C 23 72.337 69.603 2.734 1
1 197 . 15 1 1 A 23 23 THR N N 23 109.039 117.720 -8.681 1
1 198 . 15 1 1 A 24 24 GLU H H 24 8.782 8.969 -0.187 1
1 199 . 15 1 1 A 24 24 GLU HA H 24 3.911 3.804 0.107 1
1 204 . 15 1 1 A 24 24 GLU C C 24 175.816 174.996 0.820 1
1 205 . 15 1 1 A 24 24 GLU CA C 24 56.172 57.160 -0.988 1
1 206 . 15 1 1 A 24 24 GLU CB C 24 27.761 27.842 -0.081 1
1 208 . 15 1 1 A 24 24 GLU N N 24 115.227 119.098 -3.871 1
1 209 . 15 1 1 A 25 25 VAL H H 25 8.030 7.938 0.092 1
1 210 . 15 1 1 A 25 25 VAL HA H 25 4.891 4.633 0.258 1
1 218 . 15 1 1 A 25 25 VAL C C 25 177.065 175.150 1.915 1
1 219 . 15 1 1 A 25 25 VAL CA C 25 62.446 62.011 0.435 1
1 220 . 15 1 1 A 25 25 VAL CB C 25 31.471 32.656 -1.185 1
1 223 . 15 1 1 A 25 25 VAL N N 25 119.529 118.826 0.703 1
1 224 . 15 1 1 A 26 26 GLY H H 26 8.796 8.267 0.529 1
1 225 . 15 1 1 A 26 26 GLY HA2 H 26 4.420 4.454 -0.034 1
1 226 . 15 1 1 A 26 26 GLY HA3 H 26 3.646 4.463 -0.817 1
1 227 . 15 1 1 A 26 26 GLY C C 26 170.874 173.499 -2.625 1
1 228 . 15 1 1 A 26 26 GLY CA C 26 44.468 44.609 -0.141 1
1 229 . 15 1 1 A 26 26 GLY N N 26 114.560 114.870 -0.310 1
1 230 . 15 1 1 A 27 27 VAL H H 27 8.332 8.800 -0.468 1
1 231 . 15 1 1 A 27 27 VAL HA H 27 5.508 5.172 0.336 1
1 239 . 15 1 1 A 27 27 VAL C C 27 175.652 173.549 2.103 1
1 240 . 15 1 1 A 27 27 VAL CA C 27 58.279 58.957 -0.678 1
1 241 . 15 1 1 A 27 27 VAL CB C 27 36.230 35.191 1.039 1
1 244 . 15 1 1 A 27 27 VAL N N 27 110.792 116.003 -5.211 1
1 245 . 15 1 1 A 28 28 LYS H H 28 9.143 9.215 -0.072 1
1 246 . 15 1 1 A 28 28 LYS HA H 28 4.550 5.090 -0.540 1
1 254 . 15 1 1 A 28 28 LYS C C 28 175.150 175.235 -0.085 1
1 255 . 15 1 1 A 28 28 LYS CA C 28 55.396 54.629 0.767 1
1 256 . 15 1 1 A 28 28 LYS CB C 28 35.134 36.050 -0.916 1
1 260 . 15 1 1 A 28 28 LYS N N 28 123.314 122.696 0.618 1
1 261 . 15 1 1 A 29 29 VAL H H 29 9.190 9.003 0.187 1
1 262 . 15 1 1 A 29 29 VAL HA H 29 3.939 4.125 -0.186 1
1 270 . 15 1 1 A 29 29 VAL C C 29 176.162 175.387 0.775 1
1 271 . 15 1 1 A 29 29 VAL CA C 29 64.332 62.947 1.385 1
1 272 . 15 1 1 A 29 29 VAL CB C 29 31.417 31.224 0.193 1
1 275 . 15 1 1 A 29 29 VAL N N 29 127.176 127.152 0.024 1
1 276 . 15 1 1 A 30 30 LEU H H 30 8.108 8.487 -0.379 1
1 277 . 15 1 1 A 30 30 LEU HA H 30 4.375 4.236 0.139 1
1 287 . 15 1 1 A 30 30 LEU C C 30 177.477 177.180 0.297 1
1 288 . 15 1 1 A 30 30 LEU CA C 30 55.886 56.720 -0.834 1
1 289 . 15 1 1 A 30 30 LEU CB C 30 42.498 42.493 0.005 1
1 293 . 15 1 1 A 30 30 LEU N N 30 128.053 129.918 -1.865 1
1 294 . 15 1 1 A 31 31 SER H H 31 8.152 8.309 -0.157 1
1 295 . 15 1 1 A 31 31 SER HA H 31 4.748 4.756 -0.008 1
1 298 . 15 1 1 A 31 31 SER C C 31 173.427 174.226 -0.799 1
1 299 . 15 1 1 A 31 31 SER CA C 31 57.811 56.998 0.813 1
1 300 . 15 1 1 A 31 31 SER CB C 31 64.517 65.197 -0.680 1
1 301 . 15 1 1 A 31 31 SER N N 31 112.798 111.771 1.027 1
1 302 . 15 1 1 A 32 32 SER H H 32 8.450 8.794 -0.344 1
1 303 . 15 1 1 A 32 32 SER HA H 32 4.604 4.207 0.397 1
1 306 . 15 1 1 A 32 32 SER C C 32 172.423 175.395 -2.972 1
1 307 . 15 1 1 A 32 32 SER CA C 32 59.414 61.163 -1.749 1
1 308 . 15 1 1 A 32 32 SER CB C 32 63.903 62.743 1.160 1
1 309 . 15 1 1 A 32 32 SER N N 32 112.687 116.355 -3.668 1
1 310 . 15 1 1 A 33 33 SER H H 33 8.355 7.884 0.471 1
1 311 . 15 1 1 A 33 33 SER HA H 33 4.759 4.628 0.131 1
1 314 . 15 1 1 A 33 33 SER C C 33 173.940 172.157 1.783 1
1 315 . 15 1 1 A 33 33 SER CA C 33 57.229 57.807 -0.578 1
1 316 . 15 1 1 A 33 33 SER CB C 33 66.786 64.163 2.623 1
1 317 . 15 1 1 A 33 33 SER N N 33 109.767 115.263 -5.496 1
1 318 . 15 1 1 A 34 34 GLU H H 34 6.978 7.575 -0.597 1
1 319 . 15 1 1 A 34 34 GLU HA H 34 5.487 5.058 0.429 1
1 324 . 15 1 1 A 34 34 GLU C C 34 175.294 174.657 0.637 1
1 325 . 15 1 1 A 34 34 GLU CA C 34 55.130 54.845 0.285 1
1 326 . 15 1 1 A 34 34 GLU CB C 34 35.711 33.618 2.093 1
1 328 . 15 1 1 A 34 34 GLU N N 34 119.009 117.762 1.247 1
1 329 . 15 1 1 A 35 35 ILE H H 35 8.190 8.375 -0.185 1
1 330 . 15 1 1 A 35 35 ILE HA H 35 4.477 4.730 -0.253 1
1 340 . 15 1 1 A 35 35 ILE C C 35 173.681 174.577 -0.896 1
1 341 . 15 1 1 A 35 35 ILE CA C 35 60.203 60.123 0.080 1
1 342 . 15 1 1 A 35 35 ILE CB C 35 43.791 41.956 1.835 1
1 346 . 15 1 1 A 35 35 ILE N N 35 120.691 122.990 -2.299 1
1 347 . 15 1 1 A 36 36 SER H H 36 9.269 9.072 0.197 1
1 348 . 15 1 1 A 36 36 SER HA H 36 5.300 5.229 0.071 1
1 351 . 15 1 1 A 36 36 SER C C 36 172.945 173.291 -0.346 1
1 352 . 15 1 1 A 36 36 SER CA C 36 56.549 57.401 -0.852 1
1 353 . 15 1 1 A 36 36 SER CB C 36 64.591 65.769 -1.178 1
1 354 . 15 1 1 A 36 36 SER N N 36 120.471 124.391 -3.920 1
1 355 . 15 1 1 A 37 37 VAL H H 37 9.000 9.023 -0.023 1
1 356 . 15 1 1 A 37 37 VAL HA H 37 4.902 4.630 0.272 1
1 364 . 15 1 1 A 37 37 VAL C C 37 173.530 174.941 -1.411 1
1 365 . 15 1 1 A 37 37 VAL CA C 37 60.261 61.728 -1.467 1
1 366 . 15 1 1 A 37 37 VAL CB C 37 35.001 34.286 0.715 1
1 369 . 15 1 1 A 37 37 VAL N N 37 127.009 123.792 3.217 1
1 370 . 15 1 1 A 38 38 HIS H H 38 8.779 8.632 0.147 1
1 371 . 15 1 1 A 38 38 HIS HA H 38 5.238 5.003 0.235 1
1 376 . 15 1 1 A 38 38 HIS C C 38 173.545 174.868 -1.323 1
1 377 . 15 1 1 A 38 38 HIS CA C 38 54.991 55.344 -0.353 1
1 378 . 15 1 1 A 38 38 HIS CB C 38 32.564 32.301 0.263 1
1 381 . 15 1 1 A 38 38 HIS N N 38 123.115 125.017 -1.902 1
1 382 . 15 1 1 A 39 39 TRP H H 39 7.682 7.973 -0.291 1
1 383 . 15 1 1 A 39 39 TRP HA H 39 5.044 5.175 -0.131 1
1 392 . 15 1 1 A 39 39 TRP C C 39 173.585 172.767 0.818 1
1 393 . 15 1 1 A 39 39 TRP CA C 39 57.170 55.840 1.330 1
1 394 . 15 1 1 A 39 39 TRP CB C 39 31.554 31.136 0.418 1
1 400 . 15 1 1 A 39 39 TRP N N 39 116.447 118.475 -2.028 1
1 402 . 15 1 1 A 40 40 GLU H H 40 8.522 9.095 -0.573 1
1 403 . 15 1 1 A 40 40 GLU HA H 40 4.619 4.856 -0.237 1
1 408 . 15 1 1 A 40 40 GLU C C 40 177.186 176.725 0.461 1
1 409 . 15 1 1 A 40 40 GLU CA C 40 54.356 55.056 -0.700 1
1 410 . 15 1 1 A 40 40 GLU CB C 40 30.344 31.706 -1.362 1
1 412 . 15 1 1 A 40 40 GLU N N 40 117.208 120.930 -3.722 1
1 413 . 15 1 1 A 41 41 HIS H H 41 8.477 8.792 -0.315 1
1 414 . 15 1 1 A 41 41 HIS HA H 41 4.748 4.968 -0.220 1
1 419 . 15 1 1 A 41 41 HIS C C 41 177.474 175.827 1.647 1
1 420 . 15 1 1 A 41 41 HIS CA C 41 54.779 57.464 -2.685 1
1 421 . 15 1 1 A 41 41 HIS CB C 41 31.140 30.675 0.465 1
1 424 . 15 1 1 A 41 41 HIS N N 41 119.083 125.352 -6.269 1
1 425 . 15 1 1 A 42 42 VAL H H 42 7.680 8.791 -1.111 1
1 426 . 15 1 1 A 42 42 VAL HA H 42 4.428 4.517 -0.089 1
1 434 . 15 1 1 A 42 42 VAL C C 42 175.401 176.890 -1.489 1
1 435 . 15 1 1 A 42 42 VAL CA C 42 60.878 60.837 0.041 1
1 436 . 15 1 1 A 42 42 VAL CB C 42 32.216 33.672 -1.456 1
1 439 . 15 1 1 A 42 42 VAL N N 42 114.975 120.048 -5.073 1
1 440 . 15 1 1 A 43 43 LEU H H 43 9.107 8.833 0.274 1
1 441 . 15 1 1 A 43 43 LEU HA H 43 4.303 4.145 0.158 1
1 451 . 15 1 1 A 43 43 LEU C C 43 178.603 177.654 0.949 1
1 452 . 15 1 1 A 43 43 LEU CA C 43 55.872 57.466 -1.594 1
1 453 . 15 1 1 A 43 43 LEU CB C 43 41.684 41.584 0.100 1
1 457 . 15 1 1 A 43 43 LEU N N 43 123.877 121.884 1.993 1
1 458 . 15 1 1 A 44 44 GLU H H 44 7.988 7.768 0.220 1
1 459 . 15 1 1 A 44 44 GLU HA H 44 4.152 4.270 -0.118 1
1 464 . 15 1 1 A 44 44 GLU C C 44 177.236 176.346 0.890 1
1 465 . 15 1 1 A 44 44 GLU CA C 44 57.282 56.597 0.685 1
1 466 . 15 1 1 A 44 44 GLU CB C 44 31.033 30.125 0.908 1
1 468 . 15 1 1 A 44 44 GLU N N 44 119.655 121.856 -2.201 1
1 469 . 15 1 1 A 45 45 LYS H H 45 8.596 8.599 -0.003 1
1 470 . 15 1 1 A 45 45 LYS HA H 45 4.295 4.368 -0.073 1
1 479 . 15 1 1 A 45 45 LYS C C 45 177.258 177.358 -0.100 1
1 480 . 15 1 1 A 45 45 LYS CA C 45 57.170 56.538 0.632 1
1 481 . 15 1 1 A 45 45 LYS CB C 45 32.204 32.802 -0.598 1
1 485 . 15 1 1 A 45 45 LYS N N 45 120.518 123.159 -2.641 1
1 486 . 15 1 1 A 46 46 ILE H H 46 7.212 7.567 -0.355 1
1 487 . 15 1 1 A 46 46 ILE HA H 46 4.371 4.308 0.063 1
1 497 . 15 1 1 A 46 46 ILE C C 46 175.191 176.090 -0.899 1
1 498 . 15 1 1 A 46 46 ILE CA C 46 60.666 60.296 0.370 1
1 499 . 15 1 1 A 46 46 ILE CB C 46 37.531 37.144 0.387 1
1 503 . 15 1 1 A 46 46 ILE N N 46 111.434 112.143 -0.709 1
1 504 . 15 1 1 A 47 47 VAL H H 47 7.378 7.323 0.055 1
1 505 . 15 1 1 A 47 47 VAL HA H 47 3.658 4.141 -0.483 1
1 513 . 15 1 1 A 47 47 VAL C C 47 175.157 176.145 -0.988 1
1 514 . 15 1 1 A 47 47 VAL CA C 47 63.521 61.309 2.212 1
1 515 . 15 1 1 A 47 47 VAL CB C 47 33.570 32.274 1.296 1
1 518 . 15 1 1 A 47 47 VAL N N 47 122.780 120.238 2.542 1
1 519 . 15 1 1 A 48 48 GLU H H 48 8.733 8.871 -0.138 1
1 520 . 15 1 1 A 48 48 GLU HA H 48 4.615 4.000 0.615 1
1 525 . 15 1 1 A 48 48 GLU C C 48 176.241 176.393 -0.152 1
1 526 . 15 1 1 A 48 48 GLU CA C 48 56.701 59.460 -2.759 1
1 527 . 15 1 1 A 48 48 GLU CB C 48 32.966 29.885 3.081 1
1 529 . 15 1 1 A 48 48 GLU N N 48 124.835 127.115 -2.280 1
1 530 . 15 1 1 A 49 49 SER H H 49 8.130 7.560 0.570 1
1 531 . 15 1 1 A 49 49 SER HA H 49 4.726 4.423 0.303 1
1 534 . 15 1 1 A 49 49 SER C C 49 171.371 171.970 -0.599 1
1 535 . 15 1 1 A 49 49 SER CA C 49 57.440 57.302 0.138 1
1 536 . 15 1 1 A 49 49 SER CB C 49 66.073 65.209 0.864 1
1 537 . 15 1 1 A 49 49 SER N N 49 114.231 110.703 3.528 1
1 538 . 15 1 1 A 50 50 TYR H H 50 8.681 8.804 -0.123 1
1 539 . 15 1 1 A 50 50 TYR HA H 50 5.057 4.556 0.501 1
1 546 . 15 1 1 A 50 50 TYR C C 50 174.034 174.878 -0.844 1
1 547 . 15 1 1 A 50 50 TYR CA C 50 57.434 57.653 -0.219 1
1 548 . 15 1 1 A 50 50 TYR CB C 50 41.437 37.707 3.730 1
1 553 . 15 1 1 A 50 50 TYR N N 50 115.301 121.769 -6.468 1
1 554 . 15 1 1 A 51 51 GLN H H 51 9.200 8.822 0.378 1
1 555 . 15 1 1 A 51 51 GLN HA H 51 5.144 4.905 0.239 1
1 562 . 15 1 1 A 51 51 GLN C C 51 173.878 175.258 -1.380 1
1 563 . 15 1 1 A 51 51 GLN CA C 51 53.669 56.227 -2.558 1
1 564 . 15 1 1 A 51 51 GLN CB C 51 32.783 29.634 3.149 1
1 566 . 15 1 1 A 51 51 GLN N N 51 119.842 124.581 -4.739 1
1 568 . 15 1 1 A 52 52 ILE H H 52 9.441 9.430 0.011 1
1 569 . 15 1 1 A 52 52 ILE HA H 52 4.803 4.928 -0.125 1
1 579 . 15 1 1 A 52 52 ILE C C 52 174.953 174.305 0.648 1
1 580 . 15 1 1 A 52 52 ILE CA C 52 61.054 60.586 0.468 1
1 581 . 15 1 1 A 52 52 ILE CB C 52 39.108 37.763 1.345 1
1 585 . 15 1 1 A 52 52 ILE N N 52 128.547 125.945 2.602 1
1 586 . 15 1 1 A 53 53 ARG H H 53 9.169 8.637 0.532 1
1 587 . 15 1 1 A 53 53 ARG HA H 53 5.628 5.207 0.421 1
1 594 . 15 1 1 A 53 53 ARG C C 53 174.869 175.883 -1.014 1
1 595 . 15 1 1 A 53 53 ARG CA C 53 54.479 55.342 -0.863 1
1 596 . 15 1 1 A 53 53 ARG CB C 53 33.942 31.193 2.749 1
1 599 . 15 1 1 A 53 53 ARG N N 53 127.779 129.303 -1.524 1
1 600 . 15 1 1 A 54 54 TYR H H 54 8.671 9.212 -0.541 1
1 601 . 15 1 1 A 54 54 TYR HA H 54 6.310 6.267 0.043 1
1 608 . 15 1 1 A 54 54 TYR C C 54 173.965 173.756 0.209 1
1 609 . 15 1 1 A 54 54 TYR CA C 54 55.291 55.449 -0.158 1
1 610 . 15 1 1 A 54 54 TYR CB C 54 41.930 42.269 -0.339 1
1 615 . 15 1 1 A 54 54 TYR N N 54 117.929 123.362 -5.433 1
1 616 . 15 1 1 A 55 55 TRP H H 55 8.928 8.458 0.470 1
1 617 . 15 1 1 A 55 55 TRP HA H 55 5.054 5.233 -0.179 1
1 626 . 15 1 1 A 55 55 TRP C C 55 172.613 174.349 -1.736 1
1 627 . 15 1 1 A 55 55 TRP CA C 55 56.577 56.002 0.575 1
1 628 . 15 1 1 A 55 55 TRP CB C 55 32.118 31.608 0.510 1
1 634 . 15 1 1 A 55 55 TRP N N 55 121.459 118.592 2.867 1
1 636 . 15 1 1 A 56 56 ALA H H 56 8.870 8.296 0.574 1
1 637 . 15 1 1 A 56 56 ALA HA H 56 4.053 3.568 0.485 1
1 641 . 15 1 1 A 56 56 ALA C C 56 179.868 178.137 1.731 1
1 642 . 15 1 1 A 56 56 ALA CA C 56 50.478 51.848 -1.370 1
1 643 . 15 1 1 A 56 56 ALA CB C 56 19.108 18.592 0.516 1
1 644 . 15 1 1 A 56 56 ALA N N 56 124.214 123.235 0.979 1
1 645 . 15 1 1 A 57 57 ALA H H 57 8.147 8.299 -0.152 1
1 646 . 15 1 1 A 57 57 ALA HA H 57 3.913 4.128 -0.215 1
1 650 . 15 1 1 A 57 57 ALA C C 57 178.479 180.139 -1.660 1
1 651 . 15 1 1 A 57 57 ALA CA C 57 54.832 55.500 -0.668 1
1 652 . 15 1 1 A 57 57 ALA CB C 57 19.317 18.049 1.268 1
1 653 . 15 1 1 A 57 57 ALA N N 57 120.999 123.486 -2.487 1
1 654 . 15 1 1 A 58 58 HIS H H 58 7.274 7.739 -0.465 1
1 655 . 15 1 1 A 58 58 HIS HA H 58 4.605 4.358 0.247 1
1 660 . 15 1 1 A 58 58 HIS C C 58 175.349 175.662 -0.313 1
1 661 . 15 1 1 A 58 58 HIS CA C 58 56.066 58.926 -2.860 1
1 662 . 15 1 1 A 58 58 HIS CB C 58 29.780 28.761 1.019 1
1 665 . 15 1 1 A 58 58 HIS N N 58 109.961 115.151 -5.190 1
1 666 . 15 1 1 A 59 59 ASP H H 59 7.945 7.620 0.325 1
1 667 . 15 1 1 A 59 59 ASP HA H 59 4.869 4.725 0.144 1
1 670 . 15 1 1 A 59 59 ASP C C 59 175.895 175.972 -0.077 1
1 671 . 15 1 1 A 59 59 ASP CA C 59 53.898 55.108 -1.210 1
1 672 . 15 1 1 A 59 59 ASP CB C 59 42.385 41.405 0.980 1
1 673 . 15 1 1 A 59 59 ASP N N 59 123.825 121.309 2.516 1
1 674 . 15 1 1 A 60 60 LYS H H 60 8.147 8.706 -0.559 1
1 675 . 15 1 1 A 60 60 LYS HA H 60 4.197 4.581 -0.384 1
1 682 . 15 1 1 A 60 60 LYS C C 60 177.212 177.261 -0.049 1
1 683 . 15 1 1 A 60 60 LYS CA C 60 56.121 54.632 1.489 1
1 684 . 15 1 1 A 60 60 LYS CB C 60 32.951 34.605 -1.654 1
1 688 . 15 1 1 A 60 60 LYS N N 60 117.803 120.997 -3.194 1
1 689 . 15 1 1 A 61 61 GLU H H 61 8.381 8.902 -0.521 1
1 690 . 15 1 1 A 61 61 GLU HA H 61 2.603 3.106 -0.503 1
1 695 . 15 1 1 A 61 61 GLU C C 61 178.058 177.799 0.259 1
1 696 . 15 1 1 A 61 61 GLU CA C 61 58.622 59.891 -1.269 1
1 697 . 15 1 1 A 61 61 GLU CB C 61 28.709 29.144 -0.435 1
1 699 . 15 1 1 A 61 61 GLU N N 61 122.310 123.989 -1.679 1
1 700 . 15 1 1 A 62 62 GLU H H 62 8.470 8.717 -0.247 1
1 701 . 15 1 1 A 62 62 GLU HA H 62 3.919 4.027 -0.108 1
1 706 . 15 1 1 A 62 62 GLU C C 62 176.293 177.431 -1.138 1
1 707 . 15 1 1 A 62 62 GLU CA C 62 57.899 58.903 -1.004 1
1 708 . 15 1 1 A 62 62 GLU CB C 62 28.796 28.876 -0.080 1
1 710 . 15 1 1 A 62 62 GLU N N 62 117.600 116.813 0.787 1
1 711 . 15 1 1 A 63 63 ALA H H 63 7.760 7.504 0.256 1
1 712 . 15 1 1 A 63 63 ALA HA H 63 4.443 4.389 0.054 1
1 716 . 15 1 1 A 63 63 ALA C C 63 176.867 177.090 -0.223 1
1 717 . 15 1 1 A 63 63 ALA CA C 63 51.095 51.433 -0.338 1
1 718 . 15 1 1 A 63 63 ALA CB C 63 18.845 18.726 0.119 1
1 719 . 15 1 1 A 63 63 ALA N N 63 123.067 120.795 2.272 1
1 720 . 15 1 1 A 64 64 ALA H H 64 7.389 7.568 -0.179 1
1 721 . 15 1 1 A 64 64 ALA HA H 64 4.175 4.409 -0.234 1
1 725 . 15 1 1 A 64 64 ALA C C 64 177.784 177.315 0.469 1
1 726 . 15 1 1 A 64 64 ALA CA C 64 53.099 51.079 2.020 1
1 727 . 15 1 1 A 64 64 ALA CB C 64 19.784 19.572 0.212 1
1 728 . 15 1 1 A 64 64 ALA N N 64 121.409 121.147 0.262 1
1 729 . 15 1 1 A 65 65 ASN H H 65 8.152 8.060 0.092 1
1 730 . 15 1 1 A 65 65 ASN HA H 65 4.714 4.760 -0.046 1
1 735 . 15 1 1 A 65 65 ASN C C 65 173.533 174.932 -1.399 1
1 736 . 15 1 1 A 65 65 ASN CA C 65 52.523 53.605 -1.082 1
1 737 . 15 1 1 A 65 65 ASN CB C 65 40.739 39.049 1.690 1
1 738 . 15 1 1 A 65 65 ASN N N 65 119.620 120.820 -1.200 1
1 740 . 15 1 1 A 66 66 ARG H H 66 8.366 8.593 -0.227 1
1 741 . 15 1 1 A 66 66 ARG HA H 66 5.760 5.526 0.234 1
1 748 . 15 1 1 A 66 66 ARG C C 66 175.946 175.088 0.858 1
1 749 . 15 1 1 A 66 66 ARG CA C 66 54.902 54.538 0.364 1
1 750 . 15 1 1 A 66 66 ARG CB C 66 34.116 33.424 0.692 1
1 753 . 15 1 1 A 66 66 ARG N N 66 116.911 120.346 -3.435 1
1 754 . 15 1 1 A 67 67 VAL H H 67 9.057 9.174 -0.117 1
1 755 . 15 1 1 A 67 67 VAL HA H 67 4.520 4.765 -0.245 1
1 763 . 15 1 1 A 67 67 VAL C C 67 173.731 174.254 -0.523 1
1 764 . 15 1 1 A 67 67 VAL CA C 67 60.845 61.324 -0.479 1
1 765 . 15 1 1 A 67 67 VAL CB C 67 35.917 33.478 2.439 1
1 768 . 15 1 1 A 67 67 VAL N N 67 122.047 124.286 -2.239 1
1 769 . 15 1 1 A 68 68 GLN H H 68 8.741 8.919 -0.178 1
1 770 . 15 1 1 A 68 68 GLN HA H 68 5.543 5.108 0.435 1
1 777 . 15 1 1 A 68 68 GLN C C 68 175.452 174.773 0.679 1
1 778 . 15 1 1 A 68 68 GLN CA C 68 54.462 54.237 0.225 1
1 779 . 15 1 1 A 68 68 GLN CB C 68 32.087 31.997 0.090 1
1 781 . 15 1 1 A 68 68 GLN N N 68 124.250 127.810 -3.560 1
1 783 . 15 1 1 A 69 69 VAL H H 69 8.912 8.864 0.048 1
1 784 . 15 1 1 A 69 69 VAL HA H 69 5.012 4.828 0.184 1
1 792 . 15 1 1 A 69 69 VAL C C 69 175.870 175.023 0.847 1
1 793 . 15 1 1 A 69 69 VAL CA C 69 59.045 59.383 -0.338 1
1 794 . 15 1 1 A 69 69 VAL CB C 69 35.106 35.797 -0.691 1
1 797 . 15 1 1 A 69 69 VAL N N 69 117.045 120.046 -3.001 1
1 798 . 15 1 1 A 70 70 THR H H 70 8.491 8.485 0.006 1
1 799 . 15 1 1 A 70 70 THR HA H 70 4.585 4.349 0.236 1
1 804 . 15 1 1 A 70 70 THR C C 70 175.015 176.111 -1.096 1
1 805 . 15 1 1 A 70 70 THR CA C 70 62.917 62.577 0.340 1
1 806 . 15 1 1 A 70 70 THR CB C 70 70.767 69.718 1.049 1
1 808 . 15 1 1 A 70 70 THR N N 70 111.495 114.992 -3.497 1
1 809 . 15 1 1 A 71 71 SER H H 71 7.522 9.086 -1.564 1
1 810 . 15 1 1 A 71 71 SER HA H 71 4.148 4.361 -0.213 1
1 813 . 15 1 1 A 71 71 SER C C 71 174.340 176.678 -2.338 1
1 814 . 15 1 1 A 71 71 SER CA C 71 59.749 61.531 -1.782 1
1 815 . 15 1 1 A 71 71 SER CB C 71 63.060 62.486 0.574 1
1 816 . 15 1 1 A 71 71 SER N N 71 111.553 118.478 -6.925 1
1 817 . 15 1 1 A 72 72 GLN H H 72 7.718 8.040 -0.322 1
1 818 . 15 1 1 A 72 72 GLN HA H 72 4.428 4.234 0.194 1
1 823 . 15 1 1 A 72 72 GLN C C 72 176.456 177.160 -0.704 1
1 824 . 15 1 1 A 72 72 GLN CA C 72 56.630 59.083 -2.453 1
1 825 . 15 1 1 A 72 72 GLN CB C 72 29.373 28.560 0.813 1
1 827 . 15 1 1 A 72 72 GLN N N 72 117.502 119.939 -2.437 1
1 829 . 15 1 1 A 73 73 GLU H H 73 7.650 7.650 0.000 1
1 830 . 15 1 1 A 73 73 GLU HA H 73 4.408 4.518 -0.110 1
1 835 . 15 1 1 A 73 73 GLU C C 73 176.484 175.963 0.521 1
1 836 . 15 1 1 A 73 73 GLU CA C 73 56.472 55.702 0.770 1
1 837 . 15 1 1 A 73 73 GLU CB C 73 31.962 29.252 2.710 1
1 839 . 15 1 1 A 73 73 GLU N N 73 119.175 119.014 0.161 1
1 840 . 15 1 1 A 74 74 TYR H H 74 8.615 8.506 0.109 1
1 841 . 15 1 1 A 74 74 TYR HA H 74 3.427 4.115 -0.688 1
1 848 . 15 1 1 A 74 74 TYR C C 74 171.853 175.055 -3.202 1
1 849 . 15 1 1 A 74 74 TYR CA C 74 56.565 60.087 -3.522 1
1 850 . 15 1 1 A 74 74 TYR CB C 74 39.410 37.923 1.487 1
1 855 . 15 1 1 A 74 74 TYR N N 74 118.997 124.379 -5.382 1
1 856 . 15 1 1 A 75 75 SER H H 75 6.801 7.711 -0.910 1
1 857 . 15 1 1 A 75 75 SER HA H 75 5.001 4.084 0.917 1
1 860 . 15 1 1 A 75 75 SER C C 75 172.976 172.203 0.773 1
1 861 . 15 1 1 A 75 75 SER CA C 75 56.154 56.436 -0.282 1
1 862 . 15 1 1 A 75 75 SER CB C 75 66.541 65.647 0.894 1
1 863 . 15 1 1 A 75 75 SER N N 75 109.803 111.201 -1.398 1
1 864 . 15 1 1 A 76 76 ALA H H 76 8.897 9.179 -0.282 1
1 865 . 15 1 1 A 76 76 ALA HA H 76 4.604 5.338 -0.734 1
1 869 . 15 1 1 A 76 76 ALA C C 76 174.777 175.216 -0.439 1
1 870 . 15 1 1 A 76 76 ALA CA C 76 51.359 50.542 0.817 1
1 871 . 15 1 1 A 76 76 ALA CB C 76 23.140 24.048 -0.908 1
1 872 . 15 1 1 A 76 76 ALA N N 76 120.416 123.878 -3.462 1
1 873 . 15 1 1 A 77 77 ARG H H 77 8.529 8.659 -0.130 1
1 874 . 15 1 1 A 77 77 ARG HA H 77 4.681 5.160 -0.479 1
1 881 . 15 1 1 A 77 77 ARG C C 77 174.533 174.406 0.127 1
1 882 . 15 1 1 A 77 77 ARG CA C 77 54.973 54.277 0.696 1
1 883 . 15 1 1 A 77 77 ARG CB C 77 31.839 34.128 -2.289 1
1 886 . 15 1 1 A 77 77 ARG N N 77 121.172 120.017 1.155 1
1 887 . 15 1 1 A 78 78 LEU H H 78 9.089 9.165 -0.076 1
1 888 . 15 1 1 A 78 78 LEU HA H 78 4.396 4.962 -0.566 1
1 898 . 15 1 1 A 78 78 LEU C C 78 175.107 175.330 -0.223 1
1 899 . 15 1 1 A 78 78 LEU CA C 78 53.333 53.050 0.283 1
1 900 . 15 1 1 A 78 78 LEU CB C 78 41.272 45.589 -4.317 1
1 904 . 15 1 1 A 78 78 LEU N N 78 126.698 124.987 1.711 1
1 905 . 15 1 1 A 79 79 GLU H H 79 8.239 8.714 -0.475 1
1 906 . 15 1 1 A 79 79 GLU HA H 79 5.034 4.875 0.159 1
1 911 . 15 1 1 A 79 79 GLU C C 79 174.792 175.589 -0.797 1
1 912 . 15 1 1 A 79 79 GLU CA C 79 54.056 54.579 -0.523 1
1 913 . 15 1 1 A 79 79 GLU CB C 79 33.692 32.866 0.826 1
1 915 . 15 1 1 A 79 79 GLU N N 79 119.147 121.919 -2.772 1
1 916 . 15 1 1 A 80 80 ASN H H 80 9.068 8.687 0.381 1
1 917 . 15 1 1 A 80 80 ASN HA H 80 4.303 4.244 0.059 1
1 922 . 15 1 1 A 80 80 ASN C C 80 174.823 174.139 0.684 1
1 923 . 15 1 1 A 80 80 ASN CA C 80 54.462 54.235 0.227 1
1 924 . 15 1 1 A 80 80 ASN CB C 80 37.359 37.076 0.283 1
1 925 . 15 1 1 A 80 80 ASN N N 80 113.324 116.448 -3.124 1
1 927 . 15 1 1 A 81 81 LEU H H 81 8.671 7.644 1.027 1
1 928 . 15 1 1 A 81 81 LEU HA H 81 4.252 4.641 -0.389 1
1 938 . 15 1 1 A 81 81 LEU C C 81 175.804 176.185 -0.381 1
1 939 . 15 1 1 A 81 81 LEU CA C 81 53.841 53.433 0.408 1
1 940 . 15 1 1 A 81 81 LEU CB C 81 40.891 43.745 -2.854 1
1 944 . 15 1 1 A 81 81 LEU N N 81 117.886 119.149 -1.263 1
1 945 . 15 1 1 A 82 82 LEU H H 82 8.448 8.736 -0.288 1
1 946 . 15 1 1 A 82 82 LEU HA H 82 4.600 4.615 -0.015 1
1 956 . 15 1 1 A 82 82 LEU C C 82 175.149 174.883 0.266 1
1 957 . 15 1 1 A 82 82 LEU CA C 82 52.629 53.738 -1.109 1
1 958 . 15 1 1 A 82 82 LEU CB C 82 42.449 41.568 0.881 1
1 962 . 15 1 1 A 82 82 LEU N N 82 121.118 124.550 -3.432 1
1 963 . 15 1 1 A 83 83 PRO HA H 83 5.237 4.391 0.846 1
1 970 . 15 1 1 A 83 83 PRO C C 83 178.145 177.345 0.800 1
1 971 . 15 1 1 A 83 83 PRO CA C 83 62.472 63.373 -0.901 1
1 972 . 15 1 1 A 83 83 PRO CB C 83 33.232 32.191 1.041 1
1 975 . 15 1 1 A 84 84 ASP H H 84 7.943 9.266 -1.323 1
1 976 . 15 1 1 A 84 84 ASP HA H 84 4.208 4.601 -0.393 1
1 979 . 15 1 1 A 84 84 ASP C C 84 174.476 174.744 -0.268 1
1 980 . 15 1 1 A 84 84 ASP CA C 84 54.250 55.019 -0.769 1
1 981 . 15 1 1 A 84 84 ASP CB C 84 41.568 39.471 2.097 1
1 982 . 15 1 1 A 84 84 ASP N N 84 126.496 121.651 4.845 1
1 983 . 15 1 1 A 85 85 THR H H 85 8.261 7.811 0.450 1
1 984 . 15 1 1 A 85 85 THR HA H 85 4.381 4.626 -0.245 1
1 989 . 15 1 1 A 85 85 THR C C 85 170.639 172.900 -2.261 1
1 990 . 15 1 1 A 85 85 THR CA C 85 62.951 60.970 1.981 1
1 991 . 15 1 1 A 85 85 THR CB C 85 72.217 71.723 0.494 1
1 993 . 15 1 1 A 85 85 THR N N 85 114.015 112.466 1.549 1
1 994 . 15 1 1 A 86 86 GLN H H 86 8.221 8.427 -0.206 1
1 995 . 15 1 1 A 86 86 GLN HA H 86 3.664 3.773 -0.109 1
1 1002 . 15 1 1 A 86 86 GLN C C 86 172.890 173.911 -1.021 1
1 1003 . 15 1 1 A 86 86 GLN CA C 86 54.585 55.517 -0.932 1
1 1004 . 15 1 1 A 86 86 GLN CB C 86 28.836 28.675 0.161 1
1 1006 . 15 1 1 A 86 86 GLN N N 86 127.039 126.525 0.514 1
1 1008 . 15 1 1 A 87 87 TYR H H 87 8.976 8.383 0.593 1
1 1009 . 15 1 1 A 87 87 TYR HA H 87 4.583 4.841 -0.258 1
1 1016 . 15 1 1 A 87 87 TYR C C 87 173.534 174.728 -1.194 1
1 1017 . 15 1 1 A 87 87 TYR CA C 87 57.599 56.239 1.360 1
1 1018 . 15 1 1 A 87 87 TYR CB C 87 42.344 40.072 2.272 1
1 1023 . 15 1 1 A 87 87 TYR N N 87 126.060 125.554 0.506 1
1 1024 . 15 1 1 A 88 88 PHE H H 88 8.388 8.017 0.371 1
1 1025 . 15 1 1 A 88 88 PHE HA H 88 4.902 4.553 0.349 1
1 1033 . 15 1 1 A 88 88 PHE C C 88 175.238 175.564 -0.326 1
1 1034 . 15 1 1 A 88 88 PHE CA C 88 55.872 58.400 -2.528 1
1 1035 . 15 1 1 A 88 88 PHE CB C 88 40.284 38.608 1.676 1
1 1041 . 15 1 1 A 88 88 PHE N N 88 118.991 123.510 -4.519 1
1 1042 . 15 1 1 A 89 89 ILE H H 89 8.450 9.178 -0.728 1
1 1043 . 15 1 1 A 89 89 ILE HA H 89 4.913 5.066 -0.153 1
1 1053 . 15 1 1 A 89 89 ILE C C 89 174.770 174.653 0.117 1
1 1054 . 15 1 1 A 89 89 ILE CA C 89 60.472 59.706 0.766 1
1 1055 . 15 1 1 A 89 89 ILE CB C 89 43.167 40.937 2.230 1
1 1059 . 15 1 1 A 89 89 ILE N N 89 118.943 123.197 -4.254 1
1 1060 . 15 1 1 A 90 90 GLU H H 90 9.071 9.255 -0.184 1
1 1061 . 15 1 1 A 90 90 GLU HA H 90 4.558 5.248 -0.690 1
1 1066 . 15 1 1 A 90 90 GLU C C 90 173.981 174.269 -0.288 1
1 1067 . 15 1 1 A 90 90 GLU CA C 90 54.831 54.833 -0.002 1
1 1068 . 15 1 1 A 90 90 GLU CB C 90 35.052 33.935 1.117 1
1 1070 . 15 1 1 A 90 90 GLU N N 90 124.044 123.659 0.385 1
1 1071 . 15 1 1 A 91 91 VAL H H 91 8.564 8.325 0.239 1
1 1072 . 15 1 1 A 91 91 VAL HA H 91 4.968 4.596 0.372 1
1 1080 . 15 1 1 A 91 91 VAL C C 91 174.488 174.803 -0.315 1
1 1081 . 15 1 1 A 91 91 VAL CA C 91 60.525 61.212 -0.687 1
1 1082 . 15 1 1 A 91 91 VAL CB C 91 34.308 33.977 0.331 1
1 1085 . 15 1 1 A 91 91 VAL N N 91 121.165 121.843 -0.678 1
1 1086 . 15 1 1 A 92 92 GLY H H 92 8.941 8.986 -0.045 1
1 1087 . 15 1 1 A 92 92 GLY HA2 H 92 4.571 4.232 0.339 1
1 1088 . 15 1 1 A 92 92 GLY HA3 H 92 3.581 4.233 -0.652 1
1 1089 . 15 1 1 A 92 92 GLY C C 92 171.577 172.246 -0.669 1
1 1090 . 15 1 1 A 92 92 GLY CA C 92 43.640 44.518 -0.878 1
1 1091 . 15 1 1 A 92 92 GLY N N 92 112.251 114.444 -2.193 1
1 1092 . 15 1 1 A 93 93 ALA H H 93 10.001 8.607 1.394 1
1 1093 . 15 1 1 A 93 93 ALA HA H 93 4.560 4.124 0.436 1
1 1097 . 15 1 1 A 93 93 ALA C C 93 176.786 177.476 -0.690 1
1 1098 . 15 1 1 A 93 93 ALA CA C 93 51.060 52.493 -1.433 1
1 1099 . 15 1 1 A 93 93 ALA CB C 93 21.088 18.731 2.357 1
1 1100 . 15 1 1 A 93 93 ALA N N 93 126.200 126.653 -0.453 1
1 1101 . 15 1 1 A 94 94 CYS H H 94 8.739 8.681 0.058 1
1 1102 . 15 1 1 A 94 94 CYS HA H 94 5.214 4.977 0.237 1
1 1105 . 15 1 1 A 94 94 CYS C C 94 174.087 173.151 0.936 1
1 1106 . 15 1 1 A 94 94 CYS CA C 94 57.088 58.018 -0.930 1
1 1107 . 15 1 1 A 94 94 CYS CB C 94 31.345 32.532 -1.187 1
1 1108 . 15 1 1 A 94 94 CYS N N 94 118.064 121.347 -3.283 1
1 1109 . 15 1 1 A 95 95 ASN H H 95 8.968 8.291 0.677 1
1 1110 . 15 1 1 A 95 95 ASN HA H 95 4.593 5.024 -0.431 1
1 1115 . 15 1 1 A 95 95 ASN C C 95 176.009 175.894 0.115 1
1 1116 . 15 1 1 A 95 95 ASN CA C 95 52.981 50.917 2.064 1
1 1117 . 15 1 1 A 95 95 ASN CB C 95 39.336 40.020 -0.684 1
1 1118 . 15 1 1 A 95 95 ASN N N 95 121.604 121.446 0.158 1
1 1120 . 15 1 1 A 96 96 SER H H 96 8.483 8.947 -0.464 1
1 1121 . 15 1 1 A 96 96 SER HA H 96 4.085 4.063 0.022 1
1 1124 . 15 1 1 A 96 96 SER C C 96 174.700 176.884 -2.184 1
1 1125 . 15 1 1 A 96 96 SER CA C 96 61.600 61.505 0.095 1
1 1126 . 15 1 1 A 96 96 SER CB C 96 62.794 62.565 0.229 1
1 1127 . 15 1 1 A 96 96 SER N N 96 113.664 115.251 -1.587 1
1 1128 . 15 1 1 A 97 97 ALA H H 97 8.187 7.692 0.495 1
1 1129 . 15 1 1 A 97 97 ALA HA H 97 4.357 4.097 0.260 1
1 1133 . 15 1 1 A 97 97 ALA C C 97 177.600 177.569 0.031 1
1 1134 . 15 1 1 A 97 97 ALA CA C 97 52.681 55.161 -2.480 1
1 1135 . 15 1 1 A 97 97 ALA CB C 97 19.192 18.791 0.401 1
1 1136 . 15 1 1 A 97 97 ALA N N 97 123.374 122.342 1.032 1
1 1137 . 15 1 1 A 98 98 GLY H H 98 7.800 7.693 0.107 1
1 1138 . 15 1 1 A 98 98 GLY HA2 H 98 4.444 4.153 0.291 1
1 1139 . 15 1 1 A 98 98 GLY HA3 H 98 3.840 4.153 -0.313 1
1 1140 . 15 1 1 A 98 98 GLY C C 98 171.071 171.705 -0.634 1
1 1141 . 15 1 1 A 98 98 GLY CA C 98 44.809 43.979 0.830 1
1 1142 . 15 1 1 A 98 98 GLY N N 98 106.029 104.528 1.501 1
1 1143 . 15 1 1 A 99 99 CYS H H 99 8.399 8.577 -0.178 1
1 1144 . 15 1 1 A 99 99 CYS HA H 99 4.891 5.037 -0.146 1
1 1147 . 15 1 1 A 99 99 CYS C C 99 175.557 174.864 0.693 1
1 1148 . 15 1 1 A 99 99 CYS CA C 99 57.670 57.945 -0.275 1
1 1149 . 15 1 1 A 99 99 CYS CB C 99 29.469 28.284 1.185 1
1 1150 . 15 1 1 A 99 99 CYS N N 99 117.855 119.755 -1.900 1
1 1151 . 15 1 1 A 100 100 GLY H H 100 8.930 8.918 0.012 1
1 1152 . 15 1 1 A 100 100 GLY HA2 H 100 4.282 4.064 0.218 1
1 1153 . 15 1 1 A 100 100 GLY HA3 H 100 3.764 4.070 -0.306 1
1 1154 . 15 1 1 A 100 100 GLY C C 100 170.974 172.992 -2.018 1
1 1155 . 15 1 1 A 100 100 GLY CA C 100 45.578 44.172 1.406 1
1 1156 . 15 1 1 A 100 100 GLY N N 100 113.025 113.230 -0.205 1
1 1157 . 15 1 1 A 101 101 PRO HA H 101 4.616 4.598 0.018 1
1 1164 . 15 1 1 A 101 101 PRO CA C 101 60.598 62.310 -1.712 1
1 1165 . 15 1 1 A 101 101 PRO CB C 101 30.874 32.220 -1.346 1
1 1168 . 15 1 1 A 102 102 PRO HA H 102 4.659 4.526 0.133 1
1 1175 . 15 1 1 A 102 102 PRO C C 102 178.078 176.433 1.645 1
1 1176 . 15 1 1 A 102 102 PRO CA C 102 62.111 62.278 -0.167 1
1 1177 . 15 1 1 A 102 102 PRO CB C 102 32.383 32.335 0.048 1
1 1180 . 15 1 1 A 103 103 SER H H 103 8.732 8.452 0.280 1
1 1181 . 15 1 1 A 103 103 SER HA H 103 4.222 4.620 -0.398 1
1 1184 . 15 1 1 A 103 103 SER C C 103 173.155 174.091 -0.936 1
1 1185 . 15 1 1 A 103 103 SER CA C 103 58.321 57.432 0.889 1
1 1186 . 15 1 1 A 103 103 SER CB C 103 65.815 65.395 0.420 1
1 1187 . 15 1 1 A 103 103 SER N N 103 113.387 114.738 -1.351 1
1 1188 . 15 1 1 A 104 104 ASP H H 104 8.248 8.541 -0.293 1
1 1189 . 15 1 1 A 104 104 ASP HA H 104 4.472 4.704 -0.232 1
1 1192 . 15 1 1 A 104 104 ASP C C 104 176.703 175.649 1.054 1
1 1193 . 15 1 1 A 104 104 ASP CA C 104 55.573 54.249 1.324 1
1 1194 . 15 1 1 A 104 104 ASP CB C 104 40.583 41.759 -1.176 1
1 1195 . 15 1 1 A 104 104 ASP N N 104 119.021 121.873 -2.852 1
1 1196 . 15 1 1 A 105 105 MET H H 105 8.460 8.776 -0.316 1
1 1197 . 15 1 1 A 105 105 MET HA H 105 4.542 4.946 -0.404 1
1 1205 . 15 1 1 A 105 105 MET C C 105 175.687 175.047 0.640 1
1 1206 . 15 1 1 A 105 105 MET CA C 105 56.348 54.733 1.615 1
1 1207 . 15 1 1 A 105 105 MET CB C 105 33.610 34.123 -0.513 1
1 1210 . 15 1 1 A 105 105 MET N N 105 124.915 124.679 0.236 1
1 1211 . 15 1 1 A 106 106 ILE H H 106 8.914 9.104 -0.190 1
1 1212 . 15 1 1 A 106 106 ILE HA H 106 4.571 4.969 -0.398 1
1 1222 . 15 1 1 A 106 106 ILE C C 106 173.498 175.344 -1.846 1
1 1223 . 15 1 1 A 106 106 ILE CA C 106 59.185 59.785 -0.600 1
1 1224 . 15 1 1 A 106 106 ILE CB C 106 40.786 41.029 -0.243 1
1 1228 . 15 1 1 A 106 106 ILE N N 106 126.141 127.156 -1.015 1
1 1229 . 15 1 1 A 107 107 GLU H H 107 7.999 8.966 -0.967 1
1 1230 . 15 1 1 A 107 107 GLU HA H 107 5.373 4.873 0.500 1
1 1235 . 15 1 1 A 107 107 GLU C C 107 175.263 175.609 -0.346 1
1 1236 . 15 1 1 A 107 107 GLU CA C 107 53.343 55.127 -1.784 1
1 1237 . 15 1 1 A 107 107 GLU CB C 107 32.951 31.357 1.594 1
1 1239 . 15 1 1 A 107 107 GLU N N 107 121.346 125.026 -3.680 1
1 1240 . 15 1 1 A 108 108 ALA H H 108 8.685 8.584 0.101 1
1 1241 . 15 1 1 A 108 108 ALA HA H 108 4.549 5.514 -0.965 1
1 1245 . 15 1 1 A 108 108 ALA C C 108 174.431 175.719 -1.288 1
1 1246 . 15 1 1 A 108 108 ALA CA C 108 51.113 50.017 1.096 1
1 1247 . 15 1 1 A 108 108 ALA CB C 108 23.724 22.693 1.031 1
1 1248 . 15 1 1 A 108 108 ALA N N 108 123.009 125.554 -2.545 1
1 1249 . 15 1 1 A 109 109 PHE H H 109 8.519 9.124 -0.605 1
1 1250 . 15 1 1 A 109 109 PHE HA H 109 5.481 5.021 0.460 1
1 1258 . 15 1 1 A 109 109 PHE C C 109 177.604 175.821 1.783 1
1 1259 . 15 1 1 A 109 109 PHE CA C 109 55.854 56.597 -0.743 1
1 1260 . 15 1 1 A 109 109 PHE CB C 109 41.019 40.845 0.174 1
1 1266 . 15 1 1 A 109 109 PHE N N 109 119.997 118.823 1.174 1
1 1267 . 15 1 1 A 110 110 THR H H 110 8.839 8.925 -0.086 1
1 1268 . 15 1 1 A 110 110 THR HA H 110 4.103 4.579 -0.476 1
1 1273 . 15 1 1 A 110 110 THR C C 110 175.354 174.441 0.913 1
1 1274 . 15 1 1 A 110 110 THR CA C 110 61.763 61.454 0.309 1
1 1275 . 15 1 1 A 110 110 THR CB C 110 69.356 70.701 -1.345 1
1 1277 . 15 1 1 A 110 110 THR N N 110 112.067 116.632 -4.565 1
1 1278 . 15 1 1 A 111 111 LYS H H 111 6.542 8.472 -1.930 1
1 1279 . 15 1 1 A 111 111 LYS HA H 111 4.208 4.479 -0.271 1
1 1288 . 15 1 1 A 111 111 LYS C C 111 176.693 177.181 -0.488 1
1 1289 . 15 1 1 A 111 111 LYS CA C 111 56.383 55.494 0.889 1
1 1290 . 15 1 1 A 111 111 LYS CB C 111 33.447 33.483 -0.036 1
1 1294 . 15 1 1 A 111 111 LYS N N 111 116.497 121.176 -4.679 1
1 1295 . 15 1 1 A 112 112 LYS H H 112 8.230 8.576 -0.346 1
1 1296 . 15 1 1 A 112 112 LYS HA H 112 4.143 4.492 -0.349 1
1 1304 . 15 1 1 A 112 112 LYS C C 112 176.823 176.598 0.225 1
1 1305 . 15 1 1 A 112 112 LYS CA C 112 57.229 56.448 0.781 1
1 1306 . 15 1 1 A 112 112 LYS CB C 112 33.528 32.958 0.570 1
1 1310 . 15 1 1 A 112 112 LYS N N 112 118.783 121.381 -2.598 1
1 1311 . 15 1 1 A 113 113 ALA H H 113 8.762 8.730 0.032 1
1 1312 . 15 1 1 A 113 113 ALA HA H 113 4.338 4.368 -0.030 1
1 1316 . 15 1 1 A 113 113 ALA C C 113 177.688 177.623 0.065 1
1 1317 . 15 1 1 A 113 113 ALA CA C 113 52.417 51.870 0.547 1
1 1318 . 15 1 1 A 113 113 ALA CB C 113 19.272 18.334 0.938 1
1 1319 . 15 1 1 A 113 113 ALA N N 113 124.432 128.554 -4.122 1
1 1320 . 15 1 1 A 114 114 SER H H 114 8.386 8.656 -0.270 1
1 1321 . 15 1 1 A 114 114 SER HA H 114 4.487 4.339 0.148 1
1 1324 . 15 1 1 A 114 114 SER C C 114 174.474 174.585 -0.111 1
1 1325 . 15 1 1 A 114 114 SER CA C 114 58.063 61.706 -3.643 1
1 1326 . 15 1 1 A 114 114 SER CB C 114 64.012 63.680 0.332 1
1 1327 . 15 1 1 A 114 114 SER N N 114 115.798 119.847 -4.049 1
1 1328 . 15 1 1 A 115 115 GLY H H 115 8.278 7.363 0.915 1
1 1329 . 15 1 1 A 115 115 GLY HA2 H 115 4.172 4.036 0.136 1
1 1330 . 15 1 1 A 115 115 GLY HA3 H 115 4.094 4.037 0.057 1
1 1331 . 15 1 1 A 115 115 GLY C C 115 171.799 171.074 0.725 1
1 1332 . 15 1 1 A 115 115 GLY CA C 115 44.662 45.493 -0.831 1
1 1333 . 15 1 1 A 115 115 GLY N N 115 110.600 104.928 5.672 1
1 1334 . 15 1 1 A 116 116 PRO HA H 116 4.472 4.516 -0.044 1
1 1341 . 15 1 1 A 116 116 PRO C C 116 177.440 177.028 0.412 1
1 1342 . 15 1 1 A 116 116 PRO CA C 116 63.275 62.828 0.447 1
1 1343 . 15 1 1 A 116 116 PRO CB C 116 32.169 32.233 -0.064 1
1 1346 . 15 1 1 A 117 117 SER HA H 117 4.505 4.556 -0.051 1
1 1348 . 15 1 1 A 117 117 SER C C 117 174.652 175.563 -0.911 1
1 1349 . 15 1 1 A 117 117 SER CA C 117 58.393 59.337 -0.944 1
1 1350 . 15 1 1 A 117 117 SER CB C 117 63.899 63.922 -0.023 1
1 1351 . 15 1 1 A 117 117 SER N N 117 116.140 119.243 -3.103 1
1 1352 . 15 1 1 A 118 118 SER H H 118 8.314 8.909 -0.595 1
1 1353 . 15 1 1 A 118 118 SER HA H 118 4.494 4.265 0.229 1
1 1355 . 15 1 1 A 118 118 SER C C 118 173.938 174.632 -0.694 1
1 1356 . 15 1 1 A 118 118 SER CA C 118 58.428 61.317 -2.889 1
1 1357 . 15 1 1 A 118 118 SER CB C 118 63.929 63.367 0.562 1
1 1358 . 15 1 1 A 118 118 SER N N 118 117.760 119.628 -1.868 1
1 6 . 16 1 1 A 4 4 GLY H H 4 8.507 8.310 0.197 1
1 7 . 16 1 1 A 4 4 GLY HA2 H 4 4.513 4.174 0.339 1
1 8 . 16 1 1 A 4 4 GLY HA3 H 4 3.859 4.175 -0.316 1
1 9 . 16 1 1 A 4 4 GLY CA C 4 44.199 45.322 -1.123 1
1 10 . 16 1 1 A 4 4 GLY N N 4 116.148 108.886 7.262 1
1 11 . 16 1 1 A 6 6 SER HA H 6 4.472 4.993 -0.521 1
1 13 . 16 1 1 A 6 6 SER C C 6 174.998 173.024 1.974 1
1 14 . 16 1 1 A 6 6 SER CA C 6 58.657 57.097 1.560 1
1 15 . 16 1 1 A 6 6 SER CB C 6 64.025 65.765 -1.740 1
1 16 . 16 1 1 A 7 7 GLY H H 7 8.399 8.556 -0.157 1
1 17 . 16 1 1 A 7 7 GLY HA2 H 7 3.963 4.202 -0.239 1
1 18 . 16 1 1 A 7 7 GLY HA3 H 7 3.963 4.204 -0.241 1
1 19 . 16 1 1 A 7 7 GLY C C 7 173.942 173.126 0.816 1
1 20 . 16 1 1 A 7 7 GLY CA C 7 45.332 45.047 0.285 1
1 21 . 16 1 1 A 7 7 GLY N N 7 110.856 108.214 2.642 1
1 22 . 16 1 1 A 8 8 VAL H H 8 7.919 8.319 -0.400 1
1 23 . 16 1 1 A 8 8 VAL HA H 8 4.101 4.220 -0.119 1
1 31 . 16 1 1 A 8 8 VAL C C 8 175.827 175.394 0.433 1
1 32 . 16 1 1 A 8 8 VAL CA C 8 61.987 61.691 0.296 1
1 33 . 16 1 1 A 8 8 VAL CB C 8 32.786 32.883 -0.097 1
1 36 . 16 1 1 A 8 8 VAL N N 8 119.305 123.820 -4.515 1
1 37 . 16 1 1 A 9 9 ALA H H 9 8.367 8.758 -0.391 1
1 38 . 16 1 1 A 9 9 ALA HA H 9 4.329 4.838 -0.509 1
1 42 . 16 1 1 A 9 9 ALA C C 9 177.422 176.656 0.766 1
1 43 . 16 1 1 A 9 9 ALA CA C 9 52.399 52.088 0.311 1
1 44 . 16 1 1 A 9 9 ALA CB C 9 19.317 20.587 -1.270 1
1 45 . 16 1 1 A 9 9 ALA N N 9 128.175 123.633 4.542 1
1 46 . 16 1 1 A 10 10 VAL H H 10 8.154 8.621 -0.467 1
1 47 . 16 1 1 A 10 10 VAL HA H 10 4.046 4.160 -0.114 1
1 55 . 16 1 1 A 10 10 VAL C C 10 176.076 175.780 0.296 1
1 56 . 16 1 1 A 10 10 VAL CA C 10 62.288 61.717 0.571 1
1 57 . 16 1 1 A 10 10 VAL CB C 10 32.786 33.405 -0.619 1
1 60 . 16 1 1 A 10 10 VAL N N 10 120.641 121.506 -0.865 1
1 61 . 16 1 1 A 11 11 ILE H H 11 8.261 8.298 -0.037 1
1 62 . 16 1 1 A 11 11 ILE HA H 11 4.148 3.900 0.248 1
1 72 . 16 1 1 A 11 11 ILE C C 11 175.857 176.092 -0.235 1
1 73 . 16 1 1 A 11 11 ILE CA C 11 60.842 62.539 -1.697 1
1 74 . 16 1 1 A 11 11 ILE CB C 11 38.776 38.018 0.758 1
1 78 . 16 1 1 A 11 11 ILE N N 11 125.253 122.359 2.894 1
1 79 . 16 1 1 A 12 12 ASN H H 12 8.575 8.747 -0.172 1
1 80 . 16 1 1 A 12 12 ASN HA H 12 4.737 4.957 -0.220 1
1 85 . 16 1 1 A 12 12 ASN C C 12 175.004 174.880 0.124 1
1 86 . 16 1 1 A 12 12 ASN CA C 12 53.087 51.799 1.288 1
1 87 . 16 1 1 A 12 12 ASN CB C 12 39.076 38.514 0.562 1
1 88 . 16 1 1 A 12 12 ASN N N 12 123.538 127.062 -3.524 1
1 90 . 16 1 1 A 13 13 SER H H 13 8.317 8.003 0.314 1
1 91 . 16 1 1 A 13 13 SER HA H 13 4.373 4.147 0.226 1
1 94 . 16 1 1 A 13 13 SER C C 13 174.118 173.091 1.027 1
1 95 . 16 1 1 A 13 13 SER CA C 13 58.375 59.194 -0.819 1
1 96 . 16 1 1 A 13 13 SER CB C 13 63.866 60.856 3.010 1
1 97 . 16 1 1 A 13 13 SER N N 13 116.982 110.945 6.037 1
1 98 . 16 1 1 A 14 14 ALA H H 14 8.317 7.690 0.627 1
1 99 . 16 1 1 A 14 14 ALA HA H 14 4.285 4.596 -0.311 1
1 103 . 16 1 1 A 14 14 ALA C C 14 177.298 178.431 -1.133 1
1 104 . 16 1 1 A 14 14 ALA CA C 14 52.628 50.114 2.514 1
1 105 . 16 1 1 A 14 14 ALA CB C 14 19.192 21.833 -2.641 1
1 106 . 16 1 1 A 14 14 ALA N N 14 125.606 121.207 4.399 1
1 107 . 16 1 1 A 15 15 GLN H H 15 8.221 8.768 -0.547 1
1 108 . 16 1 1 A 15 15 GLN HA H 15 4.237 4.224 0.013 1
1 115 . 16 1 1 A 15 15 GLN C C 15 174.741 175.167 -0.426 1
1 116 . 16 1 1 A 15 15 GLN CA C 15 55.925 58.010 -2.085 1
1 117 . 16 1 1 A 15 15 GLN CB C 15 29.990 28.927 1.063 1
1 119 . 16 1 1 A 15 15 GLN N N 15 119.248 118.187 1.061 1
1 121 . 16 1 1 A 16 16 ASP H H 16 7.898 7.836 0.062 1
1 122 . 16 1 1 A 16 16 ASP HA H 16 4.714 5.084 -0.370 1
1 125 . 16 1 1 A 16 16 ASP C C 16 175.219 173.645 1.574 1
1 126 . 16 1 1 A 16 16 ASP CA C 16 53.387 53.047 0.340 1
1 127 . 16 1 1 A 16 16 ASP CB C 16 42.771 45.361 -2.590 1
1 128 . 16 1 1 A 16 16 ASP N N 16 119.674 117.782 1.892 1
1 129 . 16 1 1 A 17 17 ALA H H 17 8.256 8.375 -0.119 1
1 130 . 16 1 1 A 17 17 ALA HA H 17 4.549 4.797 -0.248 1
1 134 . 16 1 1 A 17 17 ALA C C 17 174.226 174.018 0.208 1
1 135 . 16 1 1 A 17 17 ALA CA C 17 50.514 49.963 0.551 1
1 136 . 16 1 1 A 17 17 ALA CB C 17 16.689 22.402 -5.713 1
1 137 . 16 1 1 A 17 17 ALA N N 17 123.830 121.107 2.723 1
1 138 . 16 1 1 A 18 18 PRO HA H 18 4.247 4.768 -0.521 1
1 145 . 16 1 1 A 18 18 PRO CA C 18 63.135 62.703 0.432 1
1 146 . 16 1 1 A 18 18 PRO CB C 18 31.866 31.889 -0.023 1
1 149 . 16 1 1 A 19 19 SER HA H 19 4.524 4.612 -0.088 1
1 152 . 16 1 1 A 19 19 SER C C 19 173.934 174.381 -0.447 1
1 153 . 16 1 1 A 19 19 SER CA C 19 58.657 58.338 0.319 1
1 154 . 16 1 1 A 19 19 SER CB C 19 65.246 64.446 0.800 1
1 155 . 16 1 1 A 20 20 GLU H H 20 7.589 7.738 -0.149 1
1 156 . 16 1 1 A 20 20 GLU HA H 20 4.604 4.792 -0.188 1
1 161 . 16 1 1 A 20 20 GLU C C 20 175.082 175.044 0.038 1
1 162 . 16 1 1 A 20 20 GLU CA C 20 54.762 55.766 -1.004 1
1 163 . 16 1 1 A 20 20 GLU CB C 20 33.405 31.555 1.850 1
1 165 . 16 1 1 A 20 20 GLU N N 20 121.739 122.018 -0.279 1
1 166 . 16 1 1 A 21 21 ALA H H 21 8.564 8.647 -0.083 1
1 167 . 16 1 1 A 21 21 ALA HA H 21 4.995 4.894 0.101 1
1 171 . 16 1 1 A 21 21 ALA C C 21 175.731 174.663 1.068 1
1 172 . 16 1 1 A 21 21 ALA CA C 21 49.341 49.567 -0.226 1
1 173 . 16 1 1 A 21 21 ALA CB C 21 19.388 22.151 -2.763 1
1 174 . 16 1 1 A 21 21 ALA N N 21 125.054 127.458 -2.404 1
1 175 . 16 1 1 A 22 22 PRO HA H 22 4.529 4.889 -0.360 1
1 182 . 16 1 1 A 22 22 PRO C C 22 174.830 176.156 -1.326 1
1 183 . 16 1 1 A 22 22 PRO CA C 22 63.076 62.900 0.176 1
1 184 . 16 1 1 A 22 22 PRO CB C 22 32.294 31.959 0.335 1
1 187 . 16 1 1 A 23 23 THR H H 23 7.442 8.930 -1.488 1
1 188 . 16 1 1 A 23 23 THR HA H 23 4.663 4.879 -0.216 1
1 193 . 16 1 1 A 23 23 THR C C 23 172.878 174.208 -1.330 1
1 194 . 16 1 1 A 23 23 THR CA C 23 59.961 60.820 -0.859 1
1 195 . 16 1 1 A 23 23 THR CB C 23 72.337 71.287 1.050 1
1 197 . 16 1 1 A 23 23 THR N N 23 109.039 119.125 -10.086 1
1 198 . 16 1 1 A 24 24 GLU H H 24 8.782 8.862 -0.080 1
1 199 . 16 1 1 A 24 24 GLU HA H 24 3.911 3.855 0.056 1
1 204 . 16 1 1 A 24 24 GLU C C 24 175.816 175.855 -0.039 1
1 205 . 16 1 1 A 24 24 GLU CA C 24 56.172 57.169 -0.997 1
1 206 . 16 1 1 A 24 24 GLU CB C 24 27.761 27.744 0.017 1
1 208 . 16 1 1 A 24 24 GLU N N 24 115.227 119.064 -3.837 1
1 209 . 16 1 1 A 25 25 VAL H H 25 8.030 8.111 -0.081 1
1 210 . 16 1 1 A 25 25 VAL HA H 25 4.891 4.241 0.650 1
1 218 . 16 1 1 A 25 25 VAL C C 25 177.065 176.296 0.769 1
1 219 . 16 1 1 A 25 25 VAL CA C 25 62.446 62.239 0.207 1
1 220 . 16 1 1 A 25 25 VAL CB C 25 31.471 32.426 -0.955 1
1 223 . 16 1 1 A 25 25 VAL N N 25 119.529 119.784 -0.255 1
1 224 . 16 1 1 A 26 26 GLY H H 26 8.796 8.901 -0.105 1
1 225 . 16 1 1 A 26 26 GLY HA2 H 26 4.420 4.468 -0.048 1
1 226 . 16 1 1 A 26 26 GLY HA3 H 26 3.646 4.468 -0.822 1
1 227 . 16 1 1 A 26 26 GLY C C 26 170.874 173.166 -2.292 1
1 228 . 16 1 1 A 26 26 GLY CA C 26 44.468 44.577 -0.109 1
1 229 . 16 1 1 A 26 26 GLY N N 26 114.560 112.470 2.090 1
1 230 . 16 1 1 A 27 27 VAL H H 27 8.332 8.797 -0.465 1
1 231 . 16 1 1 A 27 27 VAL HA H 27 5.508 5.408 0.100 1
1 239 . 16 1 1 A 27 27 VAL C C 27 175.652 173.575 2.077 1
1 240 . 16 1 1 A 27 27 VAL CA C 27 58.279 59.642 -1.363 1
1 241 . 16 1 1 A 27 27 VAL CB C 27 36.230 35.525 0.705 1
1 244 . 16 1 1 A 27 27 VAL N N 27 110.792 116.796 -6.004 1
1 245 . 16 1 1 A 28 28 LYS H H 28 9.143 9.210 -0.067 1
1 246 . 16 1 1 A 28 28 LYS HA H 28 4.550 5.037 -0.487 1
1 254 . 16 1 1 A 28 28 LYS C C 28 175.150 175.568 -0.418 1
1 255 . 16 1 1 A 28 28 LYS CA C 28 55.396 54.841 0.555 1
1 256 . 16 1 1 A 28 28 LYS CB C 28 35.134 34.967 0.167 1
1 260 . 16 1 1 A 28 28 LYS N N 28 123.314 125.527 -2.213 1
1 261 . 16 1 1 A 29 29 VAL H H 29 9.190 8.954 0.236 1
1 262 . 16 1 1 A 29 29 VAL HA H 29 3.939 4.111 -0.172 1
1 270 . 16 1 1 A 29 29 VAL C C 29 176.162 175.449 0.713 1
1 271 . 16 1 1 A 29 29 VAL CA C 29 64.332 63.007 1.325 1
1 272 . 16 1 1 A 29 29 VAL CB C 29 31.417 30.497 0.920 1
1 275 . 16 1 1 A 29 29 VAL N N 29 127.176 127.164 0.012 1
1 276 . 16 1 1 A 30 30 LEU H H 30 8.108 8.378 -0.270 1
1 277 . 16 1 1 A 30 30 LEU HA H 30 4.375 4.059 0.316 1
1 287 . 16 1 1 A 30 30 LEU C C 30 177.477 177.073 0.404 1
1 288 . 16 1 1 A 30 30 LEU CA C 30 55.886 57.069 -1.183 1
1 289 . 16 1 1 A 30 30 LEU CB C 30 42.498 42.291 0.207 1
1 293 . 16 1 1 A 30 30 LEU N N 30 128.053 130.184 -2.131 1
1 294 . 16 1 1 A 31 31 SER H H 31 8.152 7.885 0.267 1
1 295 . 16 1 1 A 31 31 SER HA H 31 4.748 4.752 -0.004 1
1 298 . 16 1 1 A 31 31 SER C C 31 173.427 174.547 -1.120 1
1 299 . 16 1 1 A 31 31 SER CA C 31 57.811 57.358 0.453 1
1 300 . 16 1 1 A 31 31 SER CB C 31 64.517 66.862 -2.345 1
1 301 . 16 1 1 A 31 31 SER N N 31 112.798 111.974 0.824 1
1 302 . 16 1 1 A 32 32 SER H H 32 8.450 8.294 0.156 1
1 303 . 16 1 1 A 32 32 SER HA H 32 4.604 4.215 0.389 1
1 306 . 16 1 1 A 32 32 SER C C 32 172.423 174.809 -2.386 1
1 307 . 16 1 1 A 32 32 SER CA C 32 59.414 61.109 -1.695 1
1 308 . 16 1 1 A 32 32 SER CB C 32 63.903 62.804 1.099 1
1 309 . 16 1 1 A 32 32 SER N N 32 112.687 117.960 -5.273 1
1 310 . 16 1 1 A 33 33 SER H H 33 8.355 8.000 0.355 1
1 311 . 16 1 1 A 33 33 SER HA H 33 4.759 4.624 0.135 1
1 314 . 16 1 1 A 33 33 SER C C 33 173.940 173.499 0.441 1
1 315 . 16 1 1 A 33 33 SER CA C 33 57.229 57.250 -0.021 1
1 316 . 16 1 1 A 33 33 SER CB C 33 66.786 63.689 3.097 1
1 317 . 16 1 1 A 33 33 SER N N 33 109.767 111.634 -1.867 1
1 318 . 16 1 1 A 34 34 GLU H H 34 6.978 7.568 -0.590 1
1 319 . 16 1 1 A 34 34 GLU HA H 34 5.487 5.024 0.463 1
1 324 . 16 1 1 A 34 34 GLU C C 34 175.294 174.689 0.605 1
1 325 . 16 1 1 A 34 34 GLU CA C 34 55.130 55.048 0.082 1
1 326 . 16 1 1 A 34 34 GLU CB C 34 35.711 33.748 1.963 1
1 328 . 16 1 1 A 34 34 GLU N N 34 119.009 120.329 -1.320 1
1 329 . 16 1 1 A 35 35 ILE H H 35 8.190 8.220 -0.030 1
1 330 . 16 1 1 A 35 35 ILE HA H 35 4.477 4.766 -0.289 1
1 340 . 16 1 1 A 35 35 ILE C C 35 173.681 174.888 -1.207 1
1 341 . 16 1 1 A 35 35 ILE CA C 35 60.203 60.136 0.067 1
1 342 . 16 1 1 A 35 35 ILE CB C 35 43.791 42.055 1.736 1
1 346 . 16 1 1 A 35 35 ILE N N 35 120.691 122.825 -2.134 1
1 347 . 16 1 1 A 36 36 SER H H 36 9.269 9.319 -0.050 1
1 348 . 16 1 1 A 36 36 SER HA H 36 5.300 5.418 -0.118 1
1 351 . 16 1 1 A 36 36 SER C C 36 172.945 174.126 -1.181 1
1 352 . 16 1 1 A 36 36 SER CA C 36 56.549 56.092 0.457 1
1 353 . 16 1 1 A 36 36 SER CB C 36 64.591 65.305 -0.714 1
1 354 . 16 1 1 A 36 36 SER N N 36 120.471 120.813 -0.342 1
1 355 . 16 1 1 A 37 37 VAL H H 37 9.000 8.641 0.359 1
1 356 . 16 1 1 A 37 37 VAL HA H 37 4.902 4.574 0.328 1
1 364 . 16 1 1 A 37 37 VAL C C 37 173.530 174.966 -1.436 1
1 365 . 16 1 1 A 37 37 VAL CA C 37 60.261 61.781 -1.520 1
1 366 . 16 1 1 A 37 37 VAL CB C 37 35.001 33.389 1.612 1
1 369 . 16 1 1 A 37 37 VAL N N 37 127.009 122.899 4.110 1
1 370 . 16 1 1 A 38 38 HIS H H 38 8.779 8.858 -0.079 1
1 371 . 16 1 1 A 38 38 HIS HA H 38 5.238 4.940 0.298 1
1 376 . 16 1 1 A 38 38 HIS C C 38 173.545 175.117 -1.572 1
1 377 . 16 1 1 A 38 38 HIS CA C 38 54.991 53.841 1.150 1
1 378 . 16 1 1 A 38 38 HIS CB C 38 32.564 31.184 1.380 1
1 381 . 16 1 1 A 38 38 HIS N N 38 123.115 125.596 -2.481 1
1 382 . 16 1 1 A 39 39 TRP H H 39 7.682 8.354 -0.672 1
1 383 . 16 1 1 A 39 39 TRP HA H 39 5.044 5.532 -0.488 1
1 392 . 16 1 1 A 39 39 TRP C C 39 173.585 174.385 -0.800 1
1 393 . 16 1 1 A 39 39 TRP CA C 39 57.170 54.678 2.492 1
1 394 . 16 1 1 A 39 39 TRP CB C 39 31.554 32.566 -1.012 1
1 400 . 16 1 1 A 39 39 TRP N N 39 116.447 120.987 -4.540 1
1 402 . 16 1 1 A 40 40 GLU H H 40 8.522 8.416 0.106 1
1 403 . 16 1 1 A 40 40 GLU HA H 40 4.619 4.501 0.118 1
1 408 . 16 1 1 A 40 40 GLU C C 40 177.186 176.435 0.751 1
1 409 . 16 1 1 A 40 40 GLU CA C 40 54.356 56.225 -1.869 1
1 410 . 16 1 1 A 40 40 GLU CB C 40 30.344 30.675 -0.331 1
1 412 . 16 1 1 A 40 40 GLU N N 40 117.208 120.149 -2.941 1
1 413 . 16 1 1 A 41 41 HIS H H 41 8.477 8.948 -0.471 1
1 414 . 16 1 1 A 41 41 HIS HA H 41 4.748 4.992 -0.244 1
1 419 . 16 1 1 A 41 41 HIS C C 41 177.474 175.789 1.685 1
1 420 . 16 1 1 A 41 41 HIS CA C 41 54.779 56.038 -1.259 1
1 421 . 16 1 1 A 41 41 HIS CB C 41 31.140 30.841 0.299 1
1 424 . 16 1 1 A 41 41 HIS N N 41 119.083 121.002 -1.919 1
1 425 . 16 1 1 A 42 42 VAL H H 42 7.680 8.777 -1.097 1
1 426 . 16 1 1 A 42 42 VAL HA H 42 4.428 4.398 0.030 1
1 434 . 16 1 1 A 42 42 VAL C C 42 175.401 177.280 -1.879 1
1 435 . 16 1 1 A 42 42 VAL CA C 42 60.878 61.704 -0.826 1
1 436 . 16 1 1 A 42 42 VAL CB C 42 32.216 33.430 -1.214 1
1 439 . 16 1 1 A 42 42 VAL N N 42 114.975 122.433 -7.458 1
1 440 . 16 1 1 A 43 43 LEU H H 43 9.107 8.775 0.332 1
1 441 . 16 1 1 A 43 43 LEU HA H 43 4.303 4.201 0.102 1
1 451 . 16 1 1 A 43 43 LEU C C 43 178.603 177.097 1.506 1
1 452 . 16 1 1 A 43 43 LEU CA C 43 55.872 57.219 -1.347 1
1 453 . 16 1 1 A 43 43 LEU CB C 43 41.684 41.900 -0.216 1
1 457 . 16 1 1 A 43 43 LEU N N 43 123.877 121.453 2.424 1
1 458 . 16 1 1 A 44 44 GLU H H 44 7.988 7.635 0.353 1
1 459 . 16 1 1 A 44 44 GLU HA H 44 4.152 4.539 -0.387 1
1 464 . 16 1 1 A 44 44 GLU C C 44 177.236 176.428 0.808 1
1 465 . 16 1 1 A 44 44 GLU CA C 44 57.282 55.623 1.659 1
1 466 . 16 1 1 A 44 44 GLU CB C 44 31.033 29.518 1.515 1
1 468 . 16 1 1 A 44 44 GLU N N 44 119.655 120.623 -0.968 1
1 469 . 16 1 1 A 45 45 LYS H H 45 8.596 8.713 -0.117 1
1 470 . 16 1 1 A 45 45 LYS HA H 45 4.295 4.262 0.033 1
1 479 . 16 1 1 A 45 45 LYS C C 45 177.258 177.862 -0.604 1
1 480 . 16 1 1 A 45 45 LYS CA C 45 57.170 57.211 -0.041 1
1 481 . 16 1 1 A 45 45 LYS CB C 45 32.204 31.910 0.294 1
1 485 . 16 1 1 A 45 45 LYS N N 45 120.518 124.609 -4.091 1
1 486 . 16 1 1 A 46 46 ILE H H 46 7.212 7.714 -0.502 1
1 487 . 16 1 1 A 46 46 ILE HA H 46 4.371 4.076 0.295 1
1 497 . 16 1 1 A 46 46 ILE C C 46 175.191 176.283 -1.092 1
1 498 . 16 1 1 A 46 46 ILE CA C 46 60.666 63.817 -3.151 1
1 499 . 16 1 1 A 46 46 ILE CB C 46 37.531 37.384 0.147 1
1 503 . 16 1 1 A 46 46 ILE N N 46 111.434 114.173 -2.739 1
1 504 . 16 1 1 A 47 47 VAL H H 47 7.378 7.283 0.095 1
1 505 . 16 1 1 A 47 47 VAL HA H 47 3.658 3.839 -0.181 1
1 513 . 16 1 1 A 47 47 VAL C C 47 175.157 176.336 -1.179 1
1 514 . 16 1 1 A 47 47 VAL CA C 47 63.521 62.244 1.277 1
1 515 . 16 1 1 A 47 47 VAL CB C 47 33.570 32.171 1.399 1
1 518 . 16 1 1 A 47 47 VAL N N 47 122.780 122.431 0.349 1
1 519 . 16 1 1 A 48 48 GLU H H 48 8.733 8.967 -0.234 1
1 520 . 16 1 1 A 48 48 GLU HA H 48 4.615 4.288 0.327 1
1 525 . 16 1 1 A 48 48 GLU C C 48 176.241 175.741 0.500 1
1 526 . 16 1 1 A 48 48 GLU CA C 48 56.701 57.795 -1.094 1
1 527 . 16 1 1 A 48 48 GLU CB C 48 32.966 31.140 1.826 1
1 529 . 16 1 1 A 48 48 GLU N N 48 124.835 125.081 -0.246 1
1 530 . 16 1 1 A 49 49 SER H H 49 8.130 7.087 1.043 1
1 531 . 16 1 1 A 49 49 SER HA H 49 4.726 4.731 -0.005 1
1 534 . 16 1 1 A 49 49 SER C C 49 171.371 171.663 -0.292 1
1 535 . 16 1 1 A 49 49 SER CA C 49 57.440 57.760 -0.320 1
1 536 . 16 1 1 A 49 49 SER CB C 49 66.073 66.636 -0.563 1
1 537 . 16 1 1 A 49 49 SER N N 49 114.231 112.048 2.183 1
1 538 . 16 1 1 A 50 50 TYR H H 50 8.681 8.362 0.319 1
1 539 . 16 1 1 A 50 50 TYR HA H 50 5.057 5.011 0.046 1
1 546 . 16 1 1 A 50 50 TYR C C 50 174.034 174.444 -0.410 1
1 547 . 16 1 1 A 50 50 TYR CA C 50 57.434 56.214 1.220 1
1 548 . 16 1 1 A 50 50 TYR CB C 50 41.437 39.571 1.866 1
1 553 . 16 1 1 A 50 50 TYR N N 50 115.301 119.308 -4.007 1
1 554 . 16 1 1 A 51 51 GLN H H 51 9.200 8.734 0.466 1
1 555 . 16 1 1 A 51 51 GLN HA H 51 5.144 4.644 0.500 1
1 562 . 16 1 1 A 51 51 GLN C C 51 173.878 174.779 -0.901 1
1 563 . 16 1 1 A 51 51 GLN CA C 51 53.669 55.852 -2.183 1
1 564 . 16 1 1 A 51 51 GLN CB C 51 32.783 29.247 3.536 1
1 566 . 16 1 1 A 51 51 GLN N N 51 119.842 124.884 -5.042 1
1 568 . 16 1 1 A 52 52 ILE H H 52 9.441 8.950 0.491 1
1 569 . 16 1 1 A 52 52 ILE HA H 52 4.803 4.655 0.148 1
1 579 . 16 1 1 A 52 52 ILE C C 52 174.953 174.573 0.380 1
1 580 . 16 1 1 A 52 52 ILE CA C 52 61.054 60.378 0.676 1
1 581 . 16 1 1 A 52 52 ILE CB C 52 39.108 38.771 0.337 1
1 585 . 16 1 1 A 52 52 ILE N N 52 128.547 128.830 -0.283 1
1 586 . 16 1 1 A 53 53 ARG H H 53 9.169 9.144 0.025 1
1 587 . 16 1 1 A 53 53 ARG HA H 53 5.628 5.185 0.443 1
1 594 . 16 1 1 A 53 53 ARG C C 53 174.869 174.951 -0.082 1
1 595 . 16 1 1 A 53 53 ARG CA C 53 54.479 54.676 -0.197 1
1 596 . 16 1 1 A 53 53 ARG CB C 53 33.942 32.008 1.934 1
1 599 . 16 1 1 A 53 53 ARG N N 53 127.779 129.538 -1.759 1
1 600 . 16 1 1 A 54 54 TYR H H 54 8.671 8.714 -0.043 1
1 601 . 16 1 1 A 54 54 TYR HA H 54 6.310 6.270 0.040 1
1 608 . 16 1 1 A 54 54 TYR C C 54 173.965 174.342 -0.377 1
1 609 . 16 1 1 A 54 54 TYR CA C 54 55.291 55.635 -0.344 1
1 610 . 16 1 1 A 54 54 TYR CB C 54 41.930 42.049 -0.119 1
1 615 . 16 1 1 A 54 54 TYR N N 54 117.929 123.575 -5.646 1
1 616 . 16 1 1 A 55 55 TRP H H 55 8.928 8.847 0.081 1
1 617 . 16 1 1 A 55 55 TRP HA H 55 5.054 5.253 -0.199 1
1 626 . 16 1 1 A 55 55 TRP C C 55 172.613 173.703 -1.090 1
1 627 . 16 1 1 A 55 55 TRP CA C 55 56.577 55.891 0.686 1
1 628 . 16 1 1 A 55 55 TRP CB C 55 32.118 31.403 0.715 1
1 634 . 16 1 1 A 55 55 TRP N N 55 121.459 119.329 2.130 1
1 636 . 16 1 1 A 56 56 ALA H H 56 8.870 8.172 0.698 1
1 637 . 16 1 1 A 56 56 ALA HA H 56 4.053 3.923 0.130 1
1 641 . 16 1 1 A 56 56 ALA C C 56 179.868 178.224 1.644 1
1 642 . 16 1 1 A 56 56 ALA CA C 56 50.478 51.501 -1.023 1
1 643 . 16 1 1 A 56 56 ALA CB C 56 19.108 18.807 0.301 1
1 644 . 16 1 1 A 56 56 ALA N N 56 124.214 123.742 0.472 1
1 645 . 16 1 1 A 57 57 ALA H H 57 8.147 8.454 -0.307 1
1 646 . 16 1 1 A 57 57 ALA HA H 57 3.913 4.036 -0.123 1
1 650 . 16 1 1 A 57 57 ALA C C 57 178.479 180.029 -1.550 1
1 651 . 16 1 1 A 57 57 ALA CA C 57 54.832 55.568 -0.736 1
1 652 . 16 1 1 A 57 57 ALA CB C 57 19.317 18.128 1.189 1
1 653 . 16 1 1 A 57 57 ALA N N 57 120.999 123.428 -2.429 1
1 654 . 16 1 1 A 58 58 HIS H H 58 7.274 7.816 -0.542 1
1 655 . 16 1 1 A 58 58 HIS HA H 58 4.605 4.339 0.266 1
1 660 . 16 1 1 A 58 58 HIS C C 58 175.349 175.595 -0.246 1
1 661 . 16 1 1 A 58 58 HIS CA C 58 56.066 59.121 -3.055 1
1 662 . 16 1 1 A 58 58 HIS CB C 58 29.780 28.759 1.021 1
1 665 . 16 1 1 A 58 58 HIS N N 58 109.961 114.323 -4.362 1
1 666 . 16 1 1 A 59 59 ASP H H 59 7.945 6.979 0.966 1
1 667 . 16 1 1 A 59 59 ASP HA H 59 4.869 4.493 0.376 1
1 670 . 16 1 1 A 59 59 ASP C C 59 175.895 175.994 -0.099 1
1 671 . 16 1 1 A 59 59 ASP CA C 59 53.898 54.644 -0.746 1
1 672 . 16 1 1 A 59 59 ASP CB C 59 42.385 41.214 1.171 1
1 673 . 16 1 1 A 59 59 ASP N N 59 123.825 120.600 3.225 1
1 674 . 16 1 1 A 60 60 LYS H H 60 8.147 8.787 -0.640 1
1 675 . 16 1 1 A 60 60 LYS HA H 60 4.197 4.564 -0.367 1
1 682 . 16 1 1 A 60 60 LYS C C 60 177.212 177.598 -0.386 1
1 683 . 16 1 1 A 60 60 LYS CA C 60 56.121 54.856 1.265 1
1 684 . 16 1 1 A 60 60 LYS CB C 60 32.951 34.058 -1.107 1
1 688 . 16 1 1 A 60 60 LYS N N 60 117.803 122.023 -4.220 1
1 689 . 16 1 1 A 61 61 GLU H H 61 8.381 8.840 -0.459 1
1 690 . 16 1 1 A 61 61 GLU HA H 61 2.603 3.391 -0.788 1
1 695 . 16 1 1 A 61 61 GLU C C 61 178.058 178.727 -0.669 1
1 696 . 16 1 1 A 61 61 GLU CA C 61 58.622 58.646 -0.024 1
1 697 . 16 1 1 A 61 61 GLU CB C 61 28.709 28.744 -0.035 1
1 699 . 16 1 1 A 61 61 GLU N N 61 122.310 120.948 1.362 1
1 700 . 16 1 1 A 62 62 GLU H H 62 8.470 8.392 0.078 1
1 701 . 16 1 1 A 62 62 GLU HA H 62 3.919 3.983 -0.064 1
1 706 . 16 1 1 A 62 62 GLU C C 62 176.293 177.948 -1.655 1
1 707 . 16 1 1 A 62 62 GLU CA C 62 57.899 59.256 -1.357 1
1 708 . 16 1 1 A 62 62 GLU CB C 62 28.796 28.948 -0.152 1
1 710 . 16 1 1 A 62 62 GLU N N 62 117.600 119.173 -1.573 1
1 711 . 16 1 1 A 63 63 ALA H H 63 7.760 7.496 0.264 1
1 712 . 16 1 1 A 63 63 ALA HA H 63 4.443 4.239 0.204 1
1 716 . 16 1 1 A 63 63 ALA C C 63 176.867 177.493 -0.626 1
1 717 . 16 1 1 A 63 63 ALA CA C 63 51.095 52.402 -1.307 1
1 718 . 16 1 1 A 63 63 ALA CB C 63 18.845 18.961 -0.116 1
1 719 . 16 1 1 A 63 63 ALA N N 63 123.067 120.435 2.632 1
1 720 . 16 1 1 A 64 64 ALA H H 64 7.389 7.216 0.173 1
1 721 . 16 1 1 A 64 64 ALA HA H 64 4.175 4.256 -0.081 1
1 725 . 16 1 1 A 64 64 ALA C C 64 177.784 177.359 0.425 1
1 726 . 16 1 1 A 64 64 ALA CA C 64 53.099 51.429 1.670 1
1 727 . 16 1 1 A 64 64 ALA CB C 64 19.784 19.504 0.280 1
1 728 . 16 1 1 A 64 64 ALA N N 64 121.409 121.952 -0.543 1
1 729 . 16 1 1 A 65 65 ASN H H 65 8.152 7.849 0.303 1
1 730 . 16 1 1 A 65 65 ASN HA H 65 4.714 4.707 0.007 1
1 735 . 16 1 1 A 65 65 ASN C C 65 173.533 174.390 -0.857 1
1 736 . 16 1 1 A 65 65 ASN CA C 65 52.523 53.309 -0.786 1
1 737 . 16 1 1 A 65 65 ASN CB C 65 40.739 39.239 1.500 1
1 738 . 16 1 1 A 65 65 ASN N N 65 119.620 120.550 -0.930 1
1 740 . 16 1 1 A 66 66 ARG H H 66 8.366 8.553 -0.187 1
1 741 . 16 1 1 A 66 66 ARG HA H 66 5.760 5.715 0.045 1
1 748 . 16 1 1 A 66 66 ARG C C 66 175.946 174.979 0.967 1
1 749 . 16 1 1 A 66 66 ARG CA C 66 54.902 54.374 0.528 1
1 750 . 16 1 1 A 66 66 ARG CB C 66 34.116 33.730 0.386 1
1 753 . 16 1 1 A 66 66 ARG N N 66 116.911 119.270 -2.359 1
1 754 . 16 1 1 A 67 67 VAL H H 67 9.057 9.227 -0.170 1
1 755 . 16 1 1 A 67 67 VAL HA H 67 4.520 4.729 -0.209 1
1 763 . 16 1 1 A 67 67 VAL C C 67 173.731 174.189 -0.458 1
1 764 . 16 1 1 A 67 67 VAL CA C 67 60.845 61.511 -0.666 1
1 765 . 16 1 1 A 67 67 VAL CB C 67 35.917 33.604 2.313 1
1 768 . 16 1 1 A 67 67 VAL N N 67 122.047 123.824 -1.777 1
1 769 . 16 1 1 A 68 68 GLN H H 68 8.741 8.996 -0.255 1
1 770 . 16 1 1 A 68 68 GLN HA H 68 5.543 4.912 0.631 1
1 777 . 16 1 1 A 68 68 GLN C C 68 175.452 175.369 0.083 1
1 778 . 16 1 1 A 68 68 GLN CA C 68 54.462 54.582 -0.120 1
1 779 . 16 1 1 A 68 68 GLN CB C 68 32.087 30.100 1.987 1
1 781 . 16 1 1 A 68 68 GLN N N 68 124.250 128.413 -4.163 1
1 783 . 16 1 1 A 69 69 VAL H H 69 8.912 8.914 -0.002 1
1 784 . 16 1 1 A 69 69 VAL HA H 69 5.012 4.932 0.080 1
1 792 . 16 1 1 A 69 69 VAL C C 69 175.870 175.862 0.008 1
1 793 . 16 1 1 A 69 69 VAL CA C 69 59.045 59.956 -0.911 1
1 794 . 16 1 1 A 69 69 VAL CB C 69 35.106 34.451 0.655 1
1 797 . 16 1 1 A 69 69 VAL N N 69 117.045 122.886 -5.841 1
1 798 . 16 1 1 A 70 70 THR H H 70 8.491 8.459 0.032 1
1 799 . 16 1 1 A 70 70 THR HA H 70 4.585 4.488 0.097 1
1 804 . 16 1 1 A 70 70 THR C C 70 175.015 175.977 -0.962 1
1 805 . 16 1 1 A 70 70 THR CA C 70 62.917 61.465 1.452 1
1 806 . 16 1 1 A 70 70 THR CB C 70 70.767 71.025 -0.258 1
1 808 . 16 1 1 A 70 70 THR N N 70 111.495 114.268 -2.773 1
1 809 . 16 1 1 A 71 71 SER H H 71 7.522 8.885 -1.363 1
1 810 . 16 1 1 A 71 71 SER HA H 71 4.148 4.593 -0.445 1
1 813 . 16 1 1 A 71 71 SER C C 71 174.340 175.348 -1.008 1
1 814 . 16 1 1 A 71 71 SER CA C 71 59.749 60.573 -0.824 1
1 815 . 16 1 1 A 71 71 SER CB C 71 63.060 63.483 -0.423 1
1 816 . 16 1 1 A 71 71 SER N N 71 111.553 116.585 -5.032 1
1 817 . 16 1 1 A 72 72 GLN H H 72 7.718 8.408 -0.690 1
1 818 . 16 1 1 A 72 72 GLN HA H 72 4.428 4.345 0.083 1
1 823 . 16 1 1 A 72 72 GLN C C 72 176.456 176.142 0.314 1
1 824 . 16 1 1 A 72 72 GLN CA C 72 56.630 57.041 -0.411 1
1 825 . 16 1 1 A 72 72 GLN CB C 72 29.373 28.146 1.227 1
1 827 . 16 1 1 A 72 72 GLN N N 72 117.502 118.971 -1.469 1
1 829 . 16 1 1 A 73 73 GLU H H 73 7.650 7.690 -0.040 1
1 830 . 16 1 1 A 73 73 GLU HA H 73 4.408 4.501 -0.093 1
1 835 . 16 1 1 A 73 73 GLU C C 73 176.484 176.011 0.473 1
1 836 . 16 1 1 A 73 73 GLU CA C 73 56.472 55.989 0.483 1
1 837 . 16 1 1 A 73 73 GLU CB C 73 31.962 30.123 1.839 1
1 839 . 16 1 1 A 73 73 GLU N N 73 119.175 121.153 -1.978 1
1 840 . 16 1 1 A 74 74 TYR H H 74 8.615 8.938 -0.323 1
1 841 . 16 1 1 A 74 74 TYR HA H 74 3.427 4.238 -0.811 1
1 848 . 16 1 1 A 74 74 TYR C C 74 171.853 175.264 -3.411 1
1 849 . 16 1 1 A 74 74 TYR CA C 74 56.565 59.189 -2.624 1
1 850 . 16 1 1 A 74 74 TYR CB C 74 39.410 38.114 1.296 1
1 855 . 16 1 1 A 74 74 TYR N N 74 118.997 125.193 -6.196 1
1 856 . 16 1 1 A 75 75 SER H H 75 6.801 7.469 -0.668 1
1 857 . 16 1 1 A 75 75 SER HA H 75 5.001 3.707 1.294 1
1 860 . 16 1 1 A 75 75 SER C C 75 172.976 171.617 1.359 1
1 861 . 16 1 1 A 75 75 SER CA C 75 56.154 56.991 -0.837 1
1 862 . 16 1 1 A 75 75 SER CB C 75 66.541 65.028 1.513 1
1 863 . 16 1 1 A 75 75 SER N N 75 109.803 111.931 -2.128 1
1 864 . 16 1 1 A 76 76 ALA H H 76 8.897 8.661 0.236 1
1 865 . 16 1 1 A 76 76 ALA HA H 76 4.604 5.162 -0.558 1
1 869 . 16 1 1 A 76 76 ALA C C 76 174.777 175.147 -0.370 1
1 870 . 16 1 1 A 76 76 ALA CA C 76 51.359 50.709 0.650 1
1 871 . 16 1 1 A 76 76 ALA CB C 76 23.140 24.400 -1.260 1
1 872 . 16 1 1 A 76 76 ALA N N 76 120.416 123.329 -2.913 1
1 873 . 16 1 1 A 77 77 ARG H H 77 8.529 8.632 -0.103 1
1 874 . 16 1 1 A 77 77 ARG HA H 77 4.681 5.083 -0.402 1
1 881 . 16 1 1 A 77 77 ARG C C 77 174.533 174.459 0.074 1
1 882 . 16 1 1 A 77 77 ARG CA C 77 54.973 54.551 0.422 1
1 883 . 16 1 1 A 77 77 ARG CB C 77 31.839 33.801 -1.962 1
1 886 . 16 1 1 A 77 77 ARG N N 77 121.172 119.656 1.516 1
1 887 . 16 1 1 A 78 78 LEU H H 78 9.089 9.094 -0.005 1
1 888 . 16 1 1 A 78 78 LEU HA H 78 4.396 4.896 -0.500 1
1 898 . 16 1 1 A 78 78 LEU C C 78 175.107 175.473 -0.366 1
1 899 . 16 1 1 A 78 78 LEU CA C 78 53.333 52.962 0.371 1
1 900 . 16 1 1 A 78 78 LEU CB C 78 41.272 44.874 -3.602 1
1 904 . 16 1 1 A 78 78 LEU N N 78 126.698 128.377 -1.679 1
1 905 . 16 1 1 A 79 79 GLU H H 79 8.239 8.554 -0.315 1
1 906 . 16 1 1 A 79 79 GLU HA H 79 5.034 4.950 0.084 1
1 911 . 16 1 1 A 79 79 GLU C C 79 174.792 175.531 -0.739 1
1 912 . 16 1 1 A 79 79 GLU CA C 79 54.056 54.453 -0.397 1
1 913 . 16 1 1 A 79 79 GLU CB C 79 33.692 33.075 0.617 1
1 915 . 16 1 1 A 79 79 GLU N N 79 119.147 120.605 -1.458 1
1 916 . 16 1 1 A 80 80 ASN H H 80 9.068 8.702 0.366 1
1 917 . 16 1 1 A 80 80 ASN HA H 80 4.303 4.270 0.033 1
1 922 . 16 1 1 A 80 80 ASN C C 80 174.823 174.265 0.558 1
1 923 . 16 1 1 A 80 80 ASN CA C 80 54.462 54.245 0.217 1
1 924 . 16 1 1 A 80 80 ASN CB C 80 37.359 37.003 0.356 1
1 925 . 16 1 1 A 80 80 ASN N N 80 113.324 116.508 -3.184 1
1 927 . 16 1 1 A 81 81 LEU H H 81 8.671 7.634 1.037 1
1 928 . 16 1 1 A 81 81 LEU HA H 81 4.252 4.674 -0.422 1
1 938 . 16 1 1 A 81 81 LEU C C 81 175.804 176.144 -0.340 1
1 939 . 16 1 1 A 81 81 LEU CA C 81 53.841 53.409 0.432 1
1 940 . 16 1 1 A 81 81 LEU CB C 81 40.891 43.506 -2.615 1
1 944 . 16 1 1 A 81 81 LEU N N 81 117.886 119.124 -1.238 1
1 945 . 16 1 1 A 82 82 LEU H H 82 8.448 8.589 -0.141 1
1 946 . 16 1 1 A 82 82 LEU HA H 82 4.600 4.696 -0.096 1
1 956 . 16 1 1 A 82 82 LEU C C 82 175.149 174.930 0.219 1
1 957 . 16 1 1 A 82 82 LEU CA C 82 52.629 53.017 -0.388 1
1 958 . 16 1 1 A 82 82 LEU CB C 82 42.449 41.671 0.778 1
1 962 . 16 1 1 A 82 82 LEU N N 82 121.118 123.917 -2.799 1
1 963 . 16 1 1 A 83 83 PRO HA H 83 5.237 4.373 0.864 1
1 970 . 16 1 1 A 83 83 PRO C C 83 178.145 177.246 0.899 1
1 971 . 16 1 1 A 83 83 PRO CA C 83 62.472 63.459 -0.987 1
1 972 . 16 1 1 A 83 83 PRO CB C 83 33.232 32.027 1.205 1
1 975 . 16 1 1 A 84 84 ASP H H 84 7.943 9.071 -1.128 1
1 976 . 16 1 1 A 84 84 ASP HA H 84 4.208 4.675 -0.467 1
1 979 . 16 1 1 A 84 84 ASP C C 84 174.476 174.674 -0.198 1
1 980 . 16 1 1 A 84 84 ASP CA C 84 54.250 55.113 -0.863 1
1 981 . 16 1 1 A 84 84 ASP CB C 84 41.568 39.589 1.979 1
1 982 . 16 1 1 A 84 84 ASP N N 84 126.496 121.776 4.720 1
1 983 . 16 1 1 A 85 85 THR H H 85 8.261 7.595 0.666 1
1 984 . 16 1 1 A 85 85 THR HA H 85 4.381 4.588 -0.207 1
1 989 . 16 1 1 A 85 85 THR C C 85 170.639 172.838 -2.199 1
1 990 . 16 1 1 A 85 85 THR CA C 85 62.951 61.196 1.755 1
1 991 . 16 1 1 A 85 85 THR CB C 85 72.217 71.682 0.535 1
1 993 . 16 1 1 A 85 85 THR N N 85 114.015 112.865 1.150 1
1 994 . 16 1 1 A 86 86 GLN H H 86 8.221 8.390 -0.169 1
1 995 . 16 1 1 A 86 86 GLN HA H 86 3.664 4.052 -0.388 1
1 1002 . 16 1 1 A 86 86 GLN C C 86 172.890 174.021 -1.131 1
1 1003 . 16 1 1 A 86 86 GLN CA C 86 54.585 54.613 -0.028 1
1 1004 . 16 1 1 A 86 86 GLN CB C 86 28.836 28.676 0.160 1
1 1006 . 16 1 1 A 86 86 GLN N N 86 127.039 126.348 0.691 1
1 1008 . 16 1 1 A 87 87 TYR H H 87 8.976 8.475 0.501 1
1 1009 . 16 1 1 A 87 87 TYR HA H 87 4.583 5.164 -0.581 1
1 1016 . 16 1 1 A 87 87 TYR C C 87 173.534 174.738 -1.204 1
1 1017 . 16 1 1 A 87 87 TYR CA C 87 57.599 55.832 1.767 1
1 1018 . 16 1 1 A 87 87 TYR CB C 87 42.344 40.723 1.621 1
1 1023 . 16 1 1 A 87 87 TYR N N 87 126.060 126.569 -0.509 1
1 1024 . 16 1 1 A 88 88 PHE H H 88 8.388 8.592 -0.204 1
1 1025 . 16 1 1 A 88 88 PHE HA H 88 4.902 4.766 0.136 1
1 1033 . 16 1 1 A 88 88 PHE C C 88 175.238 174.696 0.542 1
1 1034 . 16 1 1 A 88 88 PHE CA C 88 55.872 56.879 -1.007 1
1 1035 . 16 1 1 A 88 88 PHE CB C 88 40.284 38.425 1.859 1
1 1041 . 16 1 1 A 88 88 PHE N N 88 118.991 122.743 -3.752 1
1 1042 . 16 1 1 A 89 89 ILE H H 89 8.450 8.667 -0.217 1
1 1043 . 16 1 1 A 89 89 ILE HA H 89 4.913 5.082 -0.169 1
1 1053 . 16 1 1 A 89 89 ILE C C 89 174.770 175.515 -0.745 1
1 1054 . 16 1 1 A 89 89 ILE CA C 89 60.472 60.104 0.368 1
1 1055 . 16 1 1 A 89 89 ILE CB C 89 43.167 39.876 3.291 1
1 1059 . 16 1 1 A 89 89 ILE N N 89 118.943 124.476 -5.533 1
1 1060 . 16 1 1 A 90 90 GLU H H 90 9.071 8.846 0.225 1
1 1061 . 16 1 1 A 90 90 GLU HA H 90 4.558 5.177 -0.619 1
1 1066 . 16 1 1 A 90 90 GLU C C 90 173.981 175.348 -1.367 1
1 1067 . 16 1 1 A 90 90 GLU CA C 90 54.831 55.007 -0.176 1
1 1068 . 16 1 1 A 90 90 GLU CB C 90 35.052 32.945 2.107 1
1 1070 . 16 1 1 A 90 90 GLU N N 90 124.044 125.925 -1.881 1
1 1071 . 16 1 1 A 91 91 VAL H H 91 8.564 8.626 -0.062 1
1 1072 . 16 1 1 A 91 91 VAL HA H 91 4.968 4.605 0.363 1
1 1080 . 16 1 1 A 91 91 VAL C C 91 174.488 175.248 -0.760 1
1 1081 . 16 1 1 A 91 91 VAL CA C 91 60.525 60.524 0.001 1
1 1082 . 16 1 1 A 91 91 VAL CB C 91 34.308 32.892 1.416 1
1 1085 . 16 1 1 A 91 91 VAL N N 91 121.165 125.238 -4.073 1
1 1086 . 16 1 1 A 92 92 GLY H H 92 8.941 8.541 0.400 1
1 1087 . 16 1 1 A 92 92 GLY HA2 H 92 4.571 4.278 0.293 1
1 1088 . 16 1 1 A 92 92 GLY HA3 H 92 3.581 4.278 -0.697 1
1 1089 . 16 1 1 A 92 92 GLY C C 92 171.577 172.030 -0.453 1
1 1090 . 16 1 1 A 92 92 GLY CA C 92 43.640 44.696 -1.056 1
1 1091 . 16 1 1 A 92 92 GLY N N 92 112.251 114.762 -2.511 1
1 1092 . 16 1 1 A 93 93 ALA H H 93 10.001 8.735 1.266 1
1 1093 . 16 1 1 A 93 93 ALA HA H 93 4.560 4.478 0.082 1
1 1097 . 16 1 1 A 93 93 ALA C C 93 176.786 176.847 -0.061 1
1 1098 . 16 1 1 A 93 93 ALA CA C 93 51.060 51.405 -0.345 1
1 1099 . 16 1 1 A 93 93 ALA CB C 93 21.088 19.507 1.581 1
1 1100 . 16 1 1 A 93 93 ALA N N 93 126.200 127.019 -0.819 1
1 1101 . 16 1 1 A 94 94 CYS H H 94 8.739 8.397 0.342 1
1 1102 . 16 1 1 A 94 94 CYS HA H 94 5.214 5.013 0.201 1
1 1105 . 16 1 1 A 94 94 CYS C C 94 174.087 172.903 1.184 1
1 1106 . 16 1 1 A 94 94 CYS CA C 94 57.088 57.551 -0.463 1
1 1107 . 16 1 1 A 94 94 CYS CB C 94 31.345 31.657 -0.312 1
1 1108 . 16 1 1 A 94 94 CYS N N 94 118.064 118.207 -0.143 1
1 1109 . 16 1 1 A 95 95 ASN H H 95 8.968 8.095 0.873 1
1 1110 . 16 1 1 A 95 95 ASN HA H 95 4.593 5.013 -0.420 1
1 1115 . 16 1 1 A 95 95 ASN C C 95 176.009 175.980 0.029 1
1 1116 . 16 1 1 A 95 95 ASN CA C 95 52.981 51.146 1.835 1
1 1117 . 16 1 1 A 95 95 ASN CB C 95 39.336 40.667 -1.331 1
1 1118 . 16 1 1 A 95 95 ASN N N 95 121.604 120.990 0.614 1
1 1120 . 16 1 1 A 96 96 SER H H 96 8.483 9.064 -0.581 1
1 1121 . 16 1 1 A 96 96 SER HA H 96 4.085 4.051 0.034 1
1 1124 . 16 1 1 A 96 96 SER C C 96 174.700 176.280 -1.580 1
1 1125 . 16 1 1 A 96 96 SER CA C 96 61.600 61.081 0.519 1
1 1126 . 16 1 1 A 96 96 SER CB C 96 62.794 62.573 0.221 1
1 1127 . 16 1 1 A 96 96 SER N N 96 113.664 117.549 -3.885 1
1 1128 . 16 1 1 A 97 97 ALA H H 97 8.187 7.500 0.687 1
1 1129 . 16 1 1 A 97 97 ALA HA H 97 4.357 4.176 0.181 1
1 1133 . 16 1 1 A 97 97 ALA C C 97 177.600 176.676 0.924 1
1 1134 . 16 1 1 A 97 97 ALA CA C 97 52.681 54.989 -2.308 1
1 1135 . 16 1 1 A 97 97 ALA CB C 97 19.192 19.094 0.098 1
1 1136 . 16 1 1 A 97 97 ALA N N 97 123.374 121.610 1.764 1
1 1137 . 16 1 1 A 98 98 GLY H H 98 7.800 7.638 0.162 1
1 1138 . 16 1 1 A 98 98 GLY HA2 H 98 4.444 4.177 0.267 1
1 1139 . 16 1 1 A 98 98 GLY HA3 H 98 3.840 4.178 -0.338 1
1 1140 . 16 1 1 A 98 98 GLY C C 98 171.071 172.305 -1.234 1
1 1141 . 16 1 1 A 98 98 GLY CA C 98 44.809 43.847 0.962 1
1 1142 . 16 1 1 A 98 98 GLY N N 98 106.029 103.726 2.303 1
1 1143 . 16 1 1 A 99 99 CYS H H 99 8.399 8.265 0.134 1
1 1144 . 16 1 1 A 99 99 CYS HA H 99 4.891 5.159 -0.268 1
1 1147 . 16 1 1 A 99 99 CYS C C 99 175.557 174.677 0.880 1
1 1148 . 16 1 1 A 99 99 CYS CA C 99 57.670 58.930 -1.260 1
1 1149 . 16 1 1 A 99 99 CYS CB C 99 29.469 29.648 -0.179 1
1 1150 . 16 1 1 A 99 99 CYS N N 99 117.855 118.885 -1.030 1
1 1151 . 16 1 1 A 100 100 GLY H H 100 8.930 8.503 0.427 1
1 1152 . 16 1 1 A 100 100 GLY HA2 H 100 4.282 4.304 -0.022 1
1 1153 . 16 1 1 A 100 100 GLY HA3 H 100 3.764 4.316 -0.552 1
1 1154 . 16 1 1 A 100 100 GLY C C 100 170.974 171.756 -0.782 1
1 1155 . 16 1 1 A 100 100 GLY CA C 100 45.578 44.038 1.540 1
1 1156 . 16 1 1 A 100 100 GLY N N 100 113.025 109.419 3.606 1
1 1157 . 16 1 1 A 101 101 PRO HA H 101 4.616 4.612 0.004 1
1 1164 . 16 1 1 A 101 101 PRO CA C 101 60.598 62.224 -1.626 1
1 1165 . 16 1 1 A 101 101 PRO CB C 101 30.874 32.124 -1.250 1
1 1168 . 16 1 1 A 102 102 PRO HA H 102 4.659 4.520 0.139 1
1 1175 . 16 1 1 A 102 102 PRO C C 102 178.078 176.512 1.566 1
1 1176 . 16 1 1 A 102 102 PRO CA C 102 62.111 62.339 -0.228 1
1 1177 . 16 1 1 A 102 102 PRO CB C 102 32.383 32.162 0.221 1
1 1180 . 16 1 1 A 103 103 SER H H 103 8.732 8.219 0.513 1
1 1181 . 16 1 1 A 103 103 SER HA H 103 4.222 4.626 -0.404 1
1 1184 . 16 1 1 A 103 103 SER C C 103 173.155 173.728 -0.573 1
1 1185 . 16 1 1 A 103 103 SER CA C 103 58.321 57.761 0.560 1
1 1186 . 16 1 1 A 103 103 SER CB C 103 65.815 65.195 0.620 1
1 1187 . 16 1 1 A 103 103 SER N N 103 113.387 114.987 -1.600 1
1 1188 . 16 1 1 A 104 104 ASP H H 104 8.248 8.698 -0.450 1
1 1189 . 16 1 1 A 104 104 ASP HA H 104 4.472 4.600 -0.128 1
1 1192 . 16 1 1 A 104 104 ASP C C 104 176.703 176.208 0.495 1
1 1193 . 16 1 1 A 104 104 ASP CA C 104 55.573 54.945 0.628 1
1 1194 . 16 1 1 A 104 104 ASP CB C 104 40.583 41.455 -0.872 1
1 1195 . 16 1 1 A 104 104 ASP N N 104 119.021 120.659 -1.638 1
1 1196 . 16 1 1 A 105 105 MET H H 105 8.460 8.643 -0.183 1
1 1197 . 16 1 1 A 105 105 MET HA H 105 4.542 4.810 -0.268 1
1 1205 . 16 1 1 A 105 105 MET C C 105 175.687 175.052 0.635 1
1 1206 . 16 1 1 A 105 105 MET CA C 105 56.348 54.827 1.521 1
1 1207 . 16 1 1 A 105 105 MET CB C 105 33.610 32.980 0.630 1
1 1210 . 16 1 1 A 105 105 MET N N 105 124.915 121.544 3.371 1
1 1211 . 16 1 1 A 106 106 ILE H H 106 8.914 8.669 0.245 1
1 1212 . 16 1 1 A 106 106 ILE HA H 106 4.571 5.041 -0.470 1
1 1222 . 16 1 1 A 106 106 ILE C C 106 173.498 175.986 -2.488 1
1 1223 . 16 1 1 A 106 106 ILE CA C 106 59.185 59.988 -0.803 1
1 1224 . 16 1 1 A 106 106 ILE CB C 106 40.786 41.018 -0.232 1
1 1228 . 16 1 1 A 106 106 ILE N N 106 126.141 127.442 -1.301 1
1 1229 . 16 1 1 A 107 107 GLU H H 107 7.999 9.110 -1.111 1
1 1230 . 16 1 1 A 107 107 GLU HA H 107 5.373 5.134 0.239 1
1 1235 . 16 1 1 A 107 107 GLU C C 107 175.263 175.224 0.039 1
1 1236 . 16 1 1 A 107 107 GLU CA C 107 53.343 54.887 -1.544 1
1 1237 . 16 1 1 A 107 107 GLU CB C 107 32.951 32.948 0.003 1
1 1239 . 16 1 1 A 107 107 GLU N N 107 121.346 123.183 -1.837 1
1 1240 . 16 1 1 A 108 108 ALA H H 108 8.685 8.771 -0.086 1
1 1241 . 16 1 1 A 108 108 ALA HA H 108 4.549 5.597 -1.048 1
1 1245 . 16 1 1 A 108 108 ALA C C 108 174.431 175.749 -1.318 1
1 1246 . 16 1 1 A 108 108 ALA CA C 108 51.113 50.116 0.997 1
1 1247 . 16 1 1 A 108 108 ALA CB C 108 23.724 23.131 0.593 1
1 1248 . 16 1 1 A 108 108 ALA N N 108 123.009 124.502 -1.493 1
1 1249 . 16 1 1 A 109 109 PHE H H 109 8.519 9.115 -0.596 1
1 1250 . 16 1 1 A 109 109 PHE HA H 109 5.481 5.083 0.398 1
1 1258 . 16 1 1 A 109 109 PHE C C 109 177.604 175.791 1.813 1
1 1259 . 16 1 1 A 109 109 PHE CA C 109 55.854 56.591 -0.737 1
1 1260 . 16 1 1 A 109 109 PHE CB C 109 41.019 40.651 0.368 1
1 1266 . 16 1 1 A 109 109 PHE N N 109 119.997 118.146 1.851 1
1 1267 . 16 1 1 A 110 110 THR H H 110 8.839 8.365 0.474 1
1 1268 . 16 1 1 A 110 110 THR HA H 110 4.103 4.599 -0.496 1
1 1273 . 16 1 1 A 110 110 THR C C 110 175.354 174.667 0.687 1
1 1274 . 16 1 1 A 110 110 THR CA C 110 61.763 61.390 0.373 1
1 1275 . 16 1 1 A 110 110 THR CB C 110 69.356 69.850 -0.494 1
1 1277 . 16 1 1 A 110 110 THR N N 110 112.067 116.386 -4.319 1
1 1278 . 16 1 1 A 111 111 LYS H H 111 6.542 8.482 -1.940 1
1 1279 . 16 1 1 A 111 111 LYS HA H 111 4.208 4.390 -0.182 1
1 1288 . 16 1 1 A 111 111 LYS C C 111 176.693 176.769 -0.076 1
1 1289 . 16 1 1 A 111 111 LYS CA C 111 56.383 56.035 0.348 1
1 1290 . 16 1 1 A 111 111 LYS CB C 111 33.447 33.422 0.025 1
1 1294 . 16 1 1 A 111 111 LYS N N 111 116.497 122.863 -6.366 1
1 1295 . 16 1 1 A 112 112 LYS H H 112 8.230 8.687 -0.457 1
1 1296 . 16 1 1 A 112 112 LYS HA H 112 4.143 4.367 -0.224 1
1 1304 . 16 1 1 A 112 112 LYS C C 112 176.823 176.624 0.199 1
1 1305 . 16 1 1 A 112 112 LYS CA C 112 57.229 54.830 2.399 1
1 1306 . 16 1 1 A 112 112 LYS CB C 112 33.528 30.982 2.546 1
1 1310 . 16 1 1 A 112 112 LYS N N 112 118.783 120.982 -2.199 1
1 1311 . 16 1 1 A 113 113 ALA H H 113 8.762 8.349 0.413 1
1 1312 . 16 1 1 A 113 113 ALA HA H 113 4.338 3.885 0.453 1
1 1316 . 16 1 1 A 113 113 ALA C C 113 177.688 175.811 1.877 1
1 1317 . 16 1 1 A 113 113 ALA CA C 113 52.417 53.170 -0.753 1
1 1318 . 16 1 1 A 113 113 ALA CB C 113 19.272 17.588 1.684 1
1 1319 . 16 1 1 A 113 113 ALA N N 113 124.432 125.203 -0.771 1
1 1320 . 16 1 1 A 114 114 SER H H 114 8.386 7.807 0.579 1
1 1321 . 16 1 1 A 114 114 SER HA H 114 4.487 4.943 -0.456 1
1 1324 . 16 1 1 A 114 114 SER C C 114 174.474 173.116 1.358 1
1 1325 . 16 1 1 A 114 114 SER CA C 114 58.063 56.432 1.631 1
1 1326 . 16 1 1 A 114 114 SER CB C 114 64.012 66.167 -2.155 1
1 1327 . 16 1 1 A 114 114 SER N N 114 115.798 110.812 4.986 1
1 1328 . 16 1 1 A 115 115 GLY H H 115 8.278 8.605 -0.327 1
1 1329 . 16 1 1 A 115 115 GLY HA2 H 115 4.172 4.378 -0.206 1
1 1330 . 16 1 1 A 115 115 GLY HA3 H 115 4.094 4.380 -0.286 1
1 1331 . 16 1 1 A 115 115 GLY C C 115 171.799 174.263 -2.464 1
1 1332 . 16 1 1 A 115 115 GLY CA C 115 44.662 44.610 0.052 1
1 1333 . 16 1 1 A 115 115 GLY N N 115 110.600 111.375 -0.775 1
1 1334 . 16 1 1 A 116 116 PRO HA H 116 4.472 4.433 0.039 1
1 1341 . 16 1 1 A 116 116 PRO C C 116 177.440 177.728 -0.288 1
1 1342 . 16 1 1 A 116 116 PRO CA C 116 63.275 63.988 -0.713 1
1 1343 . 16 1 1 A 116 116 PRO CB C 116 32.169 31.991 0.178 1
1 1346 . 16 1 1 A 117 117 SER HA H 117 4.505 4.168 0.337 1
1 1348 . 16 1 1 A 117 117 SER C C 117 174.652 174.793 -0.141 1
1 1349 . 16 1 1 A 117 117 SER CA C 117 58.393 61.582 -3.189 1
1 1350 . 16 1 1 A 117 117 SER CB C 117 63.899 62.959 0.940 1
1 1351 . 16 1 1 A 117 117 SER N N 117 116.140 114.811 1.329 1
1 1352 . 16 1 1 A 118 118 SER H H 118 8.314 8.237 0.077 1
1 1353 . 16 1 1 A 118 118 SER HA H 118 4.494 4.729 -0.235 1
1 1355 . 16 1 1 A 118 118 SER C C 118 173.938 173.899 0.039 1
1 1356 . 16 1 1 A 118 118 SER CA C 118 58.428 56.968 1.460 1
1 1357 . 16 1 1 A 118 118 SER CB C 118 63.929 66.365 -2.436 1
1 1358 . 16 1 1 A 118 118 SER N N 118 117.760 113.121 4.639 1
1 6 . 17 1 1 A 4 4 GLY H H 4 8.507 7.913 0.594 1
1 7 . 17 1 1 A 4 4 GLY HA2 H 4 4.513 3.897 0.616 1
1 8 . 17 1 1 A 4 4 GLY HA3 H 4 3.859 3.897 -0.038 1
1 9 . 17 1 1 A 4 4 GLY CA C 4 44.199 46.986 -2.787 1
1 10 . 17 1 1 A 4 4 GLY N N 4 116.148 108.696 7.452 1
1 11 . 17 1 1 A 6 6 SER HA H 6 4.472 5.022 -0.550 1
1 13 . 17 1 1 A 6 6 SER C C 6 174.998 175.001 -0.003 1
1 14 . 17 1 1 A 6 6 SER CA C 6 58.657 57.555 1.102 1
1 15 . 17 1 1 A 6 6 SER CB C 6 64.025 66.285 -2.260 1
1 16 . 17 1 1 A 7 7 GLY H H 7 8.399 8.854 -0.455 1
1 17 . 17 1 1 A 7 7 GLY HA2 H 7 3.963 3.846 0.117 1
1 18 . 17 1 1 A 7 7 GLY HA3 H 7 3.963 3.847 0.116 1
1 19 . 17 1 1 A 7 7 GLY C C 7 173.942 175.178 -1.236 1
1 20 . 17 1 1 A 7 7 GLY CA C 7 45.332 47.382 -2.050 1
1 21 . 17 1 1 A 7 7 GLY N N 7 110.856 111.661 -0.805 1
1 22 . 17 1 1 A 8 8 VAL H H 8 7.919 7.865 0.054 1
1 23 . 17 1 1 A 8 8 VAL HA H 8 4.101 3.599 0.502 1
1 31 . 17 1 1 A 8 8 VAL C C 8 175.827 174.226 1.601 1
1 32 . 17 1 1 A 8 8 VAL CA C 8 61.987 63.180 -1.193 1
1 33 . 17 1 1 A 8 8 VAL CB C 8 32.786 29.168 3.618 1
1 36 . 17 1 1 A 8 8 VAL N N 8 119.305 114.889 4.416 1
1 37 . 17 1 1 A 9 9 ALA H H 9 8.367 7.812 0.555 1
1 38 . 17 1 1 A 9 9 ALA HA H 9 4.329 4.705 -0.376 1
1 42 . 17 1 1 A 9 9 ALA C C 9 177.422 176.245 1.177 1
1 43 . 17 1 1 A 9 9 ALA CA C 9 52.399 50.313 2.086 1
1 44 . 17 1 1 A 9 9 ALA CB C 9 19.317 21.808 -2.491 1
1 45 . 17 1 1 A 9 9 ALA N N 9 128.175 123.270 4.905 1
1 46 . 17 1 1 A 10 10 VAL H H 10 8.154 8.493 -0.339 1
1 47 . 17 1 1 A 10 10 VAL HA H 10 4.046 4.184 -0.138 1
1 55 . 17 1 1 A 10 10 VAL C C 10 176.076 175.678 0.398 1
1 56 . 17 1 1 A 10 10 VAL CA C 10 62.288 62.006 0.282 1
1 57 . 17 1 1 A 10 10 VAL CB C 10 32.786 32.002 0.784 1
1 60 . 17 1 1 A 10 10 VAL N N 10 120.641 116.573 4.068 1
1 61 . 17 1 1 A 11 11 ILE H H 11 8.261 8.626 -0.365 1
1 62 . 17 1 1 A 11 11 ILE HA H 11 4.148 4.172 -0.024 1
1 72 . 17 1 1 A 11 11 ILE C C 11 175.857 175.995 -0.138 1
1 73 . 17 1 1 A 11 11 ILE CA C 11 60.842 62.908 -2.066 1
1 74 . 17 1 1 A 11 11 ILE CB C 11 38.776 38.969 -0.193 1
1 78 . 17 1 1 A 11 11 ILE N N 11 125.253 125.798 -0.545 1
1 79 . 17 1 1 A 12 12 ASN H H 12 8.575 7.649 0.926 1
1 80 . 17 1 1 A 12 12 ASN HA H 12 4.737 4.694 0.043 1
1 85 . 17 1 1 A 12 12 ASN C C 12 175.004 174.812 0.192 1
1 86 . 17 1 1 A 12 12 ASN CA C 12 53.087 53.830 -0.743 1
1 87 . 17 1 1 A 12 12 ASN CB C 12 39.076 38.622 0.454 1
1 88 . 17 1 1 A 12 12 ASN N N 12 123.538 119.904 3.634 1
1 90 . 17 1 1 A 13 13 SER H H 13 8.317 8.616 -0.299 1
1 91 . 17 1 1 A 13 13 SER HA H 13 4.373 4.384 -0.011 1
1 94 . 17 1 1 A 13 13 SER C C 13 174.118 174.065 0.053 1
1 95 . 17 1 1 A 13 13 SER CA C 13 58.375 58.665 -0.290 1
1 96 . 17 1 1 A 13 13 SER CB C 13 63.866 63.524 0.342 1
1 97 . 17 1 1 A 13 13 SER N N 13 116.982 118.817 -1.835 1
1 98 . 17 1 1 A 14 14 ALA H H 14 8.317 8.805 -0.488 1
1 99 . 17 1 1 A 14 14 ALA HA H 14 4.285 4.757 -0.472 1
1 103 . 17 1 1 A 14 14 ALA C C 14 177.298 177.067 0.231 1
1 104 . 17 1 1 A 14 14 ALA CA C 14 52.628 51.658 0.970 1
1 105 . 17 1 1 A 14 14 ALA CB C 14 19.192 22.798 -3.606 1
1 106 . 17 1 1 A 14 14 ALA N N 14 125.606 128.454 -2.848 1
1 107 . 17 1 1 A 15 15 GLN H H 15 8.221 8.660 -0.439 1
1 108 . 17 1 1 A 15 15 GLN HA H 15 4.237 4.299 -0.062 1
1 115 . 17 1 1 A 15 15 GLN C C 15 174.741 175.538 -0.797 1
1 116 . 17 1 1 A 15 15 GLN CA C 15 55.925 56.614 -0.689 1
1 117 . 17 1 1 A 15 15 GLN CB C 15 29.990 29.452 0.538 1
1 119 . 17 1 1 A 15 15 GLN N N 15 119.248 119.079 0.169 1
1 121 . 17 1 1 A 16 16 ASP H H 16 7.898 7.597 0.301 1
1 122 . 17 1 1 A 16 16 ASP HA H 16 4.714 5.022 -0.308 1
1 125 . 17 1 1 A 16 16 ASP C C 16 175.219 173.779 1.440 1
1 126 . 17 1 1 A 16 16 ASP CA C 16 53.387 53.682 -0.295 1
1 127 . 17 1 1 A 16 16 ASP CB C 16 42.771 44.096 -1.325 1
1 128 . 17 1 1 A 16 16 ASP N N 16 119.674 118.635 1.039 1
1 129 . 17 1 1 A 17 17 ALA H H 17 8.256 8.315 -0.059 1
1 130 . 17 1 1 A 17 17 ALA HA H 17 4.549 4.849 -0.300 1
1 134 . 17 1 1 A 17 17 ALA C C 17 174.226 174.139 0.087 1
1 135 . 17 1 1 A 17 17 ALA CA C 17 50.514 49.911 0.603 1
1 136 . 17 1 1 A 17 17 ALA CB C 17 16.689 22.346 -5.657 1
1 137 . 17 1 1 A 17 17 ALA N N 17 123.830 122.867 0.963 1
1 138 . 17 1 1 A 18 18 PRO HA H 18 4.247 4.710 -0.463 1
1 145 . 17 1 1 A 18 18 PRO CA C 18 63.135 62.705 0.430 1
1 146 . 17 1 1 A 18 18 PRO CB C 18 31.866 31.802 0.064 1
1 149 . 17 1 1 A 19 19 SER HA H 19 4.524 4.487 0.037 1
1 152 . 17 1 1 A 19 19 SER C C 19 173.934 174.516 -0.582 1
1 153 . 17 1 1 A 19 19 SER CA C 19 58.657 58.595 0.062 1
1 154 . 17 1 1 A 19 19 SER CB C 19 65.246 64.052 1.194 1
1 155 . 17 1 1 A 20 20 GLU H H 20 7.589 7.693 -0.104 1
1 156 . 17 1 1 A 20 20 GLU HA H 20 4.604 4.807 -0.203 1
1 161 . 17 1 1 A 20 20 GLU C C 20 175.082 175.165 -0.083 1
1 162 . 17 1 1 A 20 20 GLU CA C 20 54.762 55.878 -1.116 1
1 163 . 17 1 1 A 20 20 GLU CB C 20 33.405 31.625 1.780 1
1 165 . 17 1 1 A 20 20 GLU N N 20 121.739 122.216 -0.477 1
1 166 . 17 1 1 A 21 21 ALA H H 21 8.564 8.694 -0.130 1
1 167 . 17 1 1 A 21 21 ALA HA H 21 4.995 4.935 0.060 1
1 171 . 17 1 1 A 21 21 ALA C C 21 175.731 174.621 1.110 1
1 172 . 17 1 1 A 21 21 ALA CA C 21 49.341 49.469 -0.128 1
1 173 . 17 1 1 A 21 21 ALA CB C 21 19.388 22.198 -2.810 1
1 174 . 17 1 1 A 21 21 ALA N N 21 125.054 127.886 -2.832 1
1 175 . 17 1 1 A 22 22 PRO HA H 22 4.529 4.882 -0.353 1
1 182 . 17 1 1 A 22 22 PRO C C 22 174.830 176.593 -1.763 1
1 183 . 17 1 1 A 22 22 PRO CA C 22 63.076 62.793 0.283 1
1 184 . 17 1 1 A 22 22 PRO CB C 22 32.294 31.835 0.459 1
1 187 . 17 1 1 A 23 23 THR H H 23 7.442 8.471 -1.029 1
1 188 . 17 1 1 A 23 23 THR HA H 23 4.663 4.766 -0.103 1
1 193 . 17 1 1 A 23 23 THR C C 23 172.878 174.538 -1.660 1
1 194 . 17 1 1 A 23 23 THR CA C 23 59.961 61.099 -1.138 1
1 195 . 17 1 1 A 23 23 THR CB C 23 72.337 70.490 1.847 1
1 197 . 17 1 1 A 23 23 THR N N 23 109.039 118.421 -9.382 1
1 198 . 17 1 1 A 24 24 GLU H H 24 8.782 8.876 -0.094 1
1 199 . 17 1 1 A 24 24 GLU HA H 24 3.911 3.794 0.117 1
1 204 . 17 1 1 A 24 24 GLU C C 24 175.816 175.809 0.007 1
1 205 . 17 1 1 A 24 24 GLU CA C 24 56.172 57.191 -1.019 1
1 206 . 17 1 1 A 24 24 GLU CB C 24 27.761 27.888 -0.127 1
1 208 . 17 1 1 A 24 24 GLU N N 24 115.227 119.002 -3.775 1
1 209 . 17 1 1 A 25 25 VAL H H 25 8.030 8.111 -0.081 1
1 210 . 17 1 1 A 25 25 VAL HA H 25 4.891 4.282 0.609 1
1 218 . 17 1 1 A 25 25 VAL C C 25 177.065 176.172 0.893 1
1 219 . 17 1 1 A 25 25 VAL CA C 25 62.446 62.150 0.296 1
1 220 . 17 1 1 A 25 25 VAL CB C 25 31.471 33.003 -1.532 1
1 223 . 17 1 1 A 25 25 VAL N N 25 119.529 119.713 -0.184 1
1 224 . 17 1 1 A 26 26 GLY H H 26 8.796 8.468 0.328 1
1 225 . 17 1 1 A 26 26 GLY HA2 H 26 4.420 4.453 -0.033 1
1 226 . 17 1 1 A 26 26 GLY HA3 H 26 3.646 4.456 -0.810 1
1 227 . 17 1 1 A 26 26 GLY C C 26 170.874 173.033 -2.159 1
1 228 . 17 1 1 A 26 26 GLY CA C 26 44.468 44.831 -0.363 1
1 229 . 17 1 1 A 26 26 GLY N N 26 114.560 111.719 2.841 1
1 230 . 17 1 1 A 27 27 VAL H H 27 8.332 8.734 -0.402 1
1 231 . 17 1 1 A 27 27 VAL HA H 27 5.508 5.331 0.177 1
1 239 . 17 1 1 A 27 27 VAL C C 27 175.652 173.407 2.245 1
1 240 . 17 1 1 A 27 27 VAL CA C 27 58.279 59.162 -0.883 1
1 241 . 17 1 1 A 27 27 VAL CB C 27 36.230 36.149 0.081 1
1 244 . 17 1 1 A 27 27 VAL N N 27 110.792 116.111 -5.319 1
1 245 . 17 1 1 A 28 28 LYS H H 28 9.143 9.541 -0.398 1
1 246 . 17 1 1 A 28 28 LYS HA H 28 4.550 5.152 -0.602 1
1 254 . 17 1 1 A 28 28 LYS C C 28 175.150 175.191 -0.041 1
1 255 . 17 1 1 A 28 28 LYS CA C 28 55.396 54.638 0.758 1
1 256 . 17 1 1 A 28 28 LYS CB C 28 35.134 35.341 -0.207 1
1 260 . 17 1 1 A 28 28 LYS N N 28 123.314 123.686 -0.372 1
1 261 . 17 1 1 A 29 29 VAL H H 29 9.190 8.986 0.204 1
1 262 . 17 1 1 A 29 29 VAL HA H 29 3.939 4.203 -0.264 1
1 270 . 17 1 1 A 29 29 VAL C C 29 176.162 175.722 0.440 1
1 271 . 17 1 1 A 29 29 VAL CA C 29 64.332 62.466 1.866 1
1 272 . 17 1 1 A 29 29 VAL CB C 29 31.417 30.480 0.937 1
1 275 . 17 1 1 A 29 29 VAL N N 29 127.176 126.925 0.251 1
1 276 . 17 1 1 A 30 30 LEU H H 30 8.108 8.411 -0.303 1
1 277 . 17 1 1 A 30 30 LEU HA H 30 4.375 4.097 0.278 1
1 287 . 17 1 1 A 30 30 LEU C C 30 177.477 176.522 0.955 1
1 288 . 17 1 1 A 30 30 LEU CA C 30 55.886 56.783 -0.897 1
1 289 . 17 1 1 A 30 30 LEU CB C 30 42.498 42.306 0.192 1
1 293 . 17 1 1 A 30 30 LEU N N 30 128.053 129.800 -1.747 1
1 294 . 17 1 1 A 31 31 SER H H 31 8.152 8.008 0.144 1
1 295 . 17 1 1 A 31 31 SER HA H 31 4.748 4.616 0.132 1
1 298 . 17 1 1 A 31 31 SER C C 31 173.427 173.444 -0.017 1
1 299 . 17 1 1 A 31 31 SER CA C 31 57.811 56.304 1.507 1
1 300 . 17 1 1 A 31 31 SER CB C 31 64.517 65.489 -0.972 1
1 301 . 17 1 1 A 31 31 SER N N 31 112.798 109.948 2.850 1
1 302 . 17 1 1 A 32 32 SER H H 32 8.450 8.756 -0.306 1
1 303 . 17 1 1 A 32 32 SER HA H 32 4.604 4.288 0.316 1
1 306 . 17 1 1 A 32 32 SER C C 32 172.423 175.168 -2.745 1
1 307 . 17 1 1 A 32 32 SER CA C 32 59.414 61.568 -2.154 1
1 308 . 17 1 1 A 32 32 SER CB C 32 63.903 62.964 0.939 1
1 309 . 17 1 1 A 32 32 SER N N 32 112.687 119.129 -6.442 1
1 310 . 17 1 1 A 33 33 SER H H 33 8.355 7.888 0.467 1
1 311 . 17 1 1 A 33 33 SER HA H 33 4.759 4.646 0.113 1
1 314 . 17 1 1 A 33 33 SER C C 33 173.940 172.121 1.819 1
1 315 . 17 1 1 A 33 33 SER CA C 33 57.229 57.565 -0.336 1
1 316 . 17 1 1 A 33 33 SER CB C 33 66.786 63.923 2.863 1
1 317 . 17 1 1 A 33 33 SER N N 33 109.767 112.653 -2.886 1
1 318 . 17 1 1 A 34 34 GLU H H 34 6.978 7.469 -0.491 1
1 319 . 17 1 1 A 34 34 GLU HA H 34 5.487 5.019 0.468 1
1 324 . 17 1 1 A 34 34 GLU C C 34 175.294 174.845 0.449 1
1 325 . 17 1 1 A 34 34 GLU CA C 34 55.130 55.161 -0.031 1
1 326 . 17 1 1 A 34 34 GLU CB C 34 35.711 32.239 3.472 1
1 328 . 17 1 1 A 34 34 GLU N N 34 119.009 118.087 0.922 1
1 329 . 17 1 1 A 35 35 ILE H H 35 8.190 8.558 -0.368 1
1 330 . 17 1 1 A 35 35 ILE HA H 35 4.477 5.066 -0.589 1
1 340 . 17 1 1 A 35 35 ILE C C 35 173.681 173.982 -0.301 1
1 341 . 17 1 1 A 35 35 ILE CA C 35 60.203 60.051 0.152 1
1 342 . 17 1 1 A 35 35 ILE CB C 35 43.791 41.824 1.967 1
1 346 . 17 1 1 A 35 35 ILE N N 35 120.691 125.202 -4.511 1
1 347 . 17 1 1 A 36 36 SER H H 36 9.269 8.828 0.441 1
1 348 . 17 1 1 A 36 36 SER HA H 36 5.300 5.074 0.226 1
1 351 . 17 1 1 A 36 36 SER C C 36 172.945 173.552 -0.607 1
1 352 . 17 1 1 A 36 36 SER CA C 36 56.549 57.624 -1.075 1
1 353 . 17 1 1 A 36 36 SER CB C 36 64.591 64.005 0.586 1
1 354 . 17 1 1 A 36 36 SER N N 36 120.471 122.398 -1.927 1
1 355 . 17 1 1 A 37 37 VAL H H 37 9.000 9.079 -0.079 1
1 356 . 17 1 1 A 37 37 VAL HA H 37 4.902 4.399 0.503 1
1 364 . 17 1 1 A 37 37 VAL C C 37 173.530 174.736 -1.206 1
1 365 . 17 1 1 A 37 37 VAL CA C 37 60.261 61.654 -1.393 1
1 366 . 17 1 1 A 37 37 VAL CB C 37 35.001 32.808 2.193 1
1 369 . 17 1 1 A 37 37 VAL N N 37 127.009 126.608 0.401 1
1 370 . 17 1 1 A 38 38 HIS H H 38 8.779 8.484 0.295 1
1 371 . 17 1 1 A 38 38 HIS HA H 38 5.238 5.065 0.173 1
1 376 . 17 1 1 A 38 38 HIS C C 38 173.545 175.284 -1.739 1
1 377 . 17 1 1 A 38 38 HIS CA C 38 54.991 53.626 1.365 1
1 378 . 17 1 1 A 38 38 HIS CB C 38 32.564 31.923 0.641 1
1 381 . 17 1 1 A 38 38 HIS N N 38 123.115 125.328 -2.213 1
1 382 . 17 1 1 A 39 39 TRP H H 39 7.682 8.255 -0.573 1
1 383 . 17 1 1 A 39 39 TRP HA H 39 5.044 5.542 -0.498 1
1 392 . 17 1 1 A 39 39 TRP C C 39 173.585 173.405 0.180 1
1 393 . 17 1 1 A 39 39 TRP CA C 39 57.170 54.282 2.888 1
1 394 . 17 1 1 A 39 39 TRP CB C 39 31.554 32.493 -0.939 1
1 400 . 17 1 1 A 39 39 TRP N N 39 116.447 123.404 -6.957 1
1 402 . 17 1 1 A 40 40 GLU H H 40 8.522 9.049 -0.527 1
1 403 . 17 1 1 A 40 40 GLU HA H 40 4.619 4.839 -0.220 1
1 408 . 17 1 1 A 40 40 GLU C C 40 177.186 176.628 0.558 1
1 409 . 17 1 1 A 40 40 GLU CA C 40 54.356 55.020 -0.664 1
1 410 . 17 1 1 A 40 40 GLU CB C 40 30.344 31.793 -1.449 1
1 412 . 17 1 1 A 40 40 GLU N N 40 117.208 120.830 -3.622 1
1 413 . 17 1 1 A 41 41 HIS H H 41 8.477 8.782 -0.305 1
1 414 . 17 1 1 A 41 41 HIS HA H 41 4.748 4.699 0.049 1
1 419 . 17 1 1 A 41 41 HIS C C 41 177.474 176.059 1.415 1
1 420 . 17 1 1 A 41 41 HIS CA C 41 54.779 57.452 -2.673 1
1 421 . 17 1 1 A 41 41 HIS CB C 41 31.140 30.548 0.592 1
1 424 . 17 1 1 A 41 41 HIS N N 41 119.083 124.933 -5.850 1
1 425 . 17 1 1 A 42 42 VAL H H 42 7.680 8.362 -0.682 1
1 426 . 17 1 1 A 42 42 VAL HA H 42 4.428 4.560 -0.132 1
1 434 . 17 1 1 A 42 42 VAL C C 42 175.401 177.100 -1.699 1
1 435 . 17 1 1 A 42 42 VAL CA C 42 60.878 61.099 -0.221 1
1 436 . 17 1 1 A 42 42 VAL CB C 42 32.216 33.734 -1.518 1
1 439 . 17 1 1 A 42 42 VAL N N 42 114.975 122.476 -7.501 1
1 440 . 17 1 1 A 43 43 LEU H H 43 9.107 8.547 0.560 1
1 441 . 17 1 1 A 43 43 LEU HA H 43 4.303 4.357 -0.054 1
1 451 . 17 1 1 A 43 43 LEU C C 43 178.603 176.937 1.666 1
1 452 . 17 1 1 A 43 43 LEU CA C 43 55.872 55.602 0.270 1
1 453 . 17 1 1 A 43 43 LEU CB C 43 41.684 41.760 -0.076 1
1 457 . 17 1 1 A 43 43 LEU N N 43 123.877 119.077 4.800 1
1 458 . 17 1 1 A 44 44 GLU H H 44 7.988 7.622 0.366 1
1 459 . 17 1 1 A 44 44 GLU HA H 44 4.152 4.574 -0.422 1
1 464 . 17 1 1 A 44 44 GLU C C 44 177.236 176.359 0.877 1
1 465 . 17 1 1 A 44 44 GLU CA C 44 57.282 55.155 2.127 1
1 466 . 17 1 1 A 44 44 GLU CB C 44 31.033 29.131 1.902 1
1 468 . 17 1 1 A 44 44 GLU N N 44 119.655 120.083 -0.428 1
1 469 . 17 1 1 A 45 45 LYS H H 45 8.596 8.736 -0.140 1
1 470 . 17 1 1 A 45 45 LYS HA H 45 4.295 4.247 0.048 1
1 479 . 17 1 1 A 45 45 LYS C C 45 177.258 178.315 -1.057 1
1 480 . 17 1 1 A 45 45 LYS CA C 45 57.170 57.800 -0.630 1
1 481 . 17 1 1 A 45 45 LYS CB C 45 32.204 32.368 -0.164 1
1 485 . 17 1 1 A 45 45 LYS N N 45 120.518 126.704 -6.186 1
1 486 . 17 1 1 A 46 46 ILE H H 46 7.212 7.554 -0.342 1
1 487 . 17 1 1 A 46 46 ILE HA H 46 4.371 4.248 0.123 1
1 497 . 17 1 1 A 46 46 ILE C C 46 175.191 176.273 -1.082 1
1 498 . 17 1 1 A 46 46 ILE CA C 46 60.666 62.938 -2.272 1
1 499 . 17 1 1 A 46 46 ILE CB C 46 37.531 38.158 -0.627 1
1 503 . 17 1 1 A 46 46 ILE N N 46 111.434 113.410 -1.976 1
1 504 . 17 1 1 A 47 47 VAL H H 47 7.378 6.969 0.409 1
1 505 . 17 1 1 A 47 47 VAL HA H 47 3.658 3.838 -0.180 1
1 513 . 17 1 1 A 47 47 VAL C C 47 175.157 176.184 -1.027 1
1 514 . 17 1 1 A 47 47 VAL CA C 47 63.521 62.293 1.228 1
1 515 . 17 1 1 A 47 47 VAL CB C 47 33.570 32.135 1.435 1
1 518 . 17 1 1 A 47 47 VAL N N 47 122.780 122.523 0.257 1
1 519 . 17 1 1 A 48 48 GLU H H 48 8.733 8.648 0.085 1
1 520 . 17 1 1 A 48 48 GLU HA H 48 4.615 4.373 0.242 1
1 525 . 17 1 1 A 48 48 GLU C C 48 176.241 176.300 -0.059 1
1 526 . 17 1 1 A 48 48 GLU CA C 48 56.701 57.143 -0.442 1
1 527 . 17 1 1 A 48 48 GLU CB C 48 32.966 30.512 2.454 1
1 529 . 17 1 1 A 48 48 GLU N N 48 124.835 122.012 2.823 1
1 530 . 17 1 1 A 49 49 SER H H 49 8.130 7.118 1.012 1
1 531 . 17 1 1 A 49 49 SER HA H 49 4.726 4.726 0.000 1
1 534 . 17 1 1 A 49 49 SER C C 49 171.371 171.520 -0.149 1
1 535 . 17 1 1 A 49 49 SER CA C 49 57.440 57.751 -0.311 1
1 536 . 17 1 1 A 49 49 SER CB C 49 66.073 66.351 -0.278 1
1 537 . 17 1 1 A 49 49 SER N N 49 114.231 114.478 -0.247 1
1 538 . 17 1 1 A 50 50 TYR H H 50 8.681 8.447 0.234 1
1 539 . 17 1 1 A 50 50 TYR HA H 50 5.057 5.126 -0.069 1
1 546 . 17 1 1 A 50 50 TYR C C 50 174.034 174.292 -0.258 1
1 547 . 17 1 1 A 50 50 TYR CA C 50 57.434 56.177 1.257 1
1 548 . 17 1 1 A 50 50 TYR CB C 50 41.437 41.055 0.382 1
1 553 . 17 1 1 A 50 50 TYR N N 50 115.301 119.424 -4.123 1
1 554 . 17 1 1 A 51 51 GLN H H 51 9.200 8.893 0.307 1
1 555 . 17 1 1 A 51 51 GLN HA H 51 5.144 4.998 0.146 1
1 562 . 17 1 1 A 51 51 GLN C C 51 173.878 174.804 -0.926 1
1 563 . 17 1 1 A 51 51 GLN CA C 51 53.669 54.527 -0.858 1
1 564 . 17 1 1 A 51 51 GLN CB C 51 32.783 31.713 1.070 1
1 566 . 17 1 1 A 51 51 GLN N N 51 119.842 123.670 -3.828 1
1 568 . 17 1 1 A 52 52 ILE H H 52 9.441 9.419 0.022 1
1 569 . 17 1 1 A 52 52 ILE HA H 52 4.803 4.729 0.074 1
1 579 . 17 1 1 A 52 52 ILE C C 52 174.953 174.542 0.411 1
1 580 . 17 1 1 A 52 52 ILE CA C 52 61.054 60.546 0.508 1
1 581 . 17 1 1 A 52 52 ILE CB C 52 39.108 37.468 1.640 1
1 585 . 17 1 1 A 52 52 ILE N N 52 128.547 128.433 0.114 1
1 586 . 17 1 1 A 53 53 ARG H H 53 9.169 8.908 0.261 1
1 587 . 17 1 1 A 53 53 ARG HA H 53 5.628 5.176 0.452 1
1 594 . 17 1 1 A 53 53 ARG C C 53 174.869 176.033 -1.164 1
1 595 . 17 1 1 A 53 53 ARG CA C 53 54.479 55.468 -0.989 1
1 596 . 17 1 1 A 53 53 ARG CB C 53 33.942 30.975 2.967 1
1 599 . 17 1 1 A 53 53 ARG N N 53 127.779 129.467 -1.688 1
1 600 . 17 1 1 A 54 54 TYR H H 54 8.671 8.689 -0.018 1
1 601 . 17 1 1 A 54 54 TYR HA H 54 6.310 6.068 0.242 1
1 608 . 17 1 1 A 54 54 TYR C C 54 173.965 173.739 0.226 1
1 609 . 17 1 1 A 54 54 TYR CA C 54 55.291 55.630 -0.339 1
1 610 . 17 1 1 A 54 54 TYR CB C 54 41.930 42.249 -0.319 1
1 615 . 17 1 1 A 54 54 TYR N N 54 117.929 122.962 -5.033 1
1 616 . 17 1 1 A 55 55 TRP H H 55 8.928 8.970 -0.042 1
1 617 . 17 1 1 A 55 55 TRP HA H 55 5.054 5.339 -0.285 1
1 626 . 17 1 1 A 55 55 TRP C C 55 172.613 174.640 -2.027 1
1 627 . 17 1 1 A 55 55 TRP CA C 55 56.577 56.377 0.200 1
1 628 . 17 1 1 A 55 55 TRP CB C 55 32.118 31.362 0.756 1
1 634 . 17 1 1 A 55 55 TRP N N 55 121.459 118.624 2.835 1
1 636 . 17 1 1 A 56 56 ALA H H 56 8.870 8.104 0.766 1
1 637 . 17 1 1 A 56 56 ALA HA H 56 4.053 3.472 0.581 1
1 641 . 17 1 1 A 56 56 ALA C C 56 179.868 178.085 1.783 1
1 642 . 17 1 1 A 56 56 ALA CA C 56 50.478 51.734 -1.256 1
1 643 . 17 1 1 A 56 56 ALA CB C 56 19.108 19.061 0.047 1
1 644 . 17 1 1 A 56 56 ALA N N 56 124.214 122.608 1.606 1
1 645 . 17 1 1 A 57 57 ALA H H 57 8.147 8.197 -0.050 1
1 646 . 17 1 1 A 57 57 ALA HA H 57 3.913 4.048 -0.135 1
1 650 . 17 1 1 A 57 57 ALA C C 57 178.479 180.168 -1.689 1
1 651 . 17 1 1 A 57 57 ALA CA C 57 54.832 55.004 -0.172 1
1 652 . 17 1 1 A 57 57 ALA CB C 57 19.317 17.918 1.399 1
1 653 . 17 1 1 A 57 57 ALA N N 57 120.999 121.739 -0.740 1
1 654 . 17 1 1 A 58 58 HIS H H 58 7.274 7.540 -0.266 1
1 655 . 17 1 1 A 58 58 HIS HA H 58 4.605 4.330 0.275 1
1 660 . 17 1 1 A 58 58 HIS C C 58 175.349 175.673 -0.324 1
1 661 . 17 1 1 A 58 58 HIS CA C 58 56.066 59.151 -3.085 1
1 662 . 17 1 1 A 58 58 HIS CB C 58 29.780 28.747 1.033 1
1 665 . 17 1 1 A 58 58 HIS N N 58 109.961 115.153 -5.192 1
1 666 . 17 1 1 A 59 59 ASP H H 59 7.945 7.867 0.078 1
1 667 . 17 1 1 A 59 59 ASP HA H 59 4.869 4.739 0.130 1
1 670 . 17 1 1 A 59 59 ASP C C 59 175.895 176.163 -0.268 1
1 671 . 17 1 1 A 59 59 ASP CA C 59 53.898 55.124 -1.226 1
1 672 . 17 1 1 A 59 59 ASP CB C 59 42.385 41.605 0.780 1
1 673 . 17 1 1 A 59 59 ASP N N 59 123.825 121.381 2.444 1
1 674 . 17 1 1 A 60 60 LYS H H 60 8.147 8.672 -0.525 1
1 675 . 17 1 1 A 60 60 LYS HA H 60 4.197 4.692 -0.495 1
1 682 . 17 1 1 A 60 60 LYS C C 60 177.212 177.352 -0.140 1
1 683 . 17 1 1 A 60 60 LYS CA C 60 56.121 54.569 1.552 1
1 684 . 17 1 1 A 60 60 LYS CB C 60 32.951 34.959 -2.008 1
1 688 . 17 1 1 A 60 60 LYS N N 60 117.803 120.199 -2.396 1
1 689 . 17 1 1 A 61 61 GLU H H 61 8.381 8.891 -0.510 1
1 690 . 17 1 1 A 61 61 GLU HA H 61 2.603 3.370 -0.767 1
1 695 . 17 1 1 A 61 61 GLU C C 61 178.058 178.528 -0.470 1
1 696 . 17 1 1 A 61 61 GLU CA C 61 58.622 58.627 -0.005 1
1 697 . 17 1 1 A 61 61 GLU CB C 61 28.709 28.797 -0.088 1
1 699 . 17 1 1 A 61 61 GLU N N 61 122.310 120.880 1.430 1
1 700 . 17 1 1 A 62 62 GLU H H 62 8.470 8.852 -0.382 1
1 701 . 17 1 1 A 62 62 GLU HA H 62 3.919 4.010 -0.091 1
1 706 . 17 1 1 A 62 62 GLU C C 62 176.293 177.427 -1.134 1
1 707 . 17 1 1 A 62 62 GLU CA C 62 57.899 59.131 -1.232 1
1 708 . 17 1 1 A 62 62 GLU CB C 62 28.796 29.052 -0.256 1
1 710 . 17 1 1 A 62 62 GLU N N 62 117.600 118.891 -1.291 1
1 711 . 17 1 1 A 63 63 ALA H H 63 7.760 7.106 0.654 1
1 712 . 17 1 1 A 63 63 ALA HA H 63 4.443 4.395 0.048 1
1 716 . 17 1 1 A 63 63 ALA C C 63 176.867 177.088 -0.221 1
1 717 . 17 1 1 A 63 63 ALA CA C 63 51.095 51.481 -0.386 1
1 718 . 17 1 1 A 63 63 ALA CB C 63 18.845 19.053 -0.208 1
1 719 . 17 1 1 A 63 63 ALA N N 63 123.067 120.658 2.409 1
1 720 . 17 1 1 A 64 64 ALA H H 64 7.389 6.959 0.430 1
1 721 . 17 1 1 A 64 64 ALA HA H 64 4.175 4.362 -0.187 1
1 725 . 17 1 1 A 64 64 ALA C C 64 177.784 177.469 0.315 1
1 726 . 17 1 1 A 64 64 ALA CA C 64 53.099 51.443 1.656 1
1 727 . 17 1 1 A 64 64 ALA CB C 64 19.784 19.298 0.486 1
1 728 . 17 1 1 A 64 64 ALA N N 64 121.409 121.142 0.267 1
1 729 . 17 1 1 A 65 65 ASN H H 65 8.152 8.156 -0.004 1
1 730 . 17 1 1 A 65 65 ASN HA H 65 4.714 4.745 -0.031 1
1 735 . 17 1 1 A 65 65 ASN C C 65 173.533 174.208 -0.675 1
1 736 . 17 1 1 A 65 65 ASN CA C 65 52.523 52.934 -0.411 1
1 737 . 17 1 1 A 65 65 ASN CB C 65 40.739 39.148 1.591 1
1 738 . 17 1 1 A 65 65 ASN N N 65 119.620 120.029 -0.409 1
1 740 . 17 1 1 A 66 66 ARG H H 66 8.366 8.859 -0.493 1
1 741 . 17 1 1 A 66 66 ARG HA H 66 5.760 5.596 0.164 1
1 748 . 17 1 1 A 66 66 ARG C C 66 175.946 173.916 2.030 1
1 749 . 17 1 1 A 66 66 ARG CA C 66 54.902 55.003 -0.101 1
1 750 . 17 1 1 A 66 66 ARG CB C 66 34.116 33.934 0.182 1
1 753 . 17 1 1 A 66 66 ARG N N 66 116.911 117.389 -0.478 1
1 754 . 17 1 1 A 67 67 VAL H H 67 9.057 9.053 0.004 1
1 755 . 17 1 1 A 67 67 VAL HA H 67 4.520 4.734 -0.214 1
1 763 . 17 1 1 A 67 67 VAL C C 67 173.731 174.055 -0.324 1
1 764 . 17 1 1 A 67 67 VAL CA C 67 60.845 61.162 -0.317 1
1 765 . 17 1 1 A 67 67 VAL CB C 67 35.917 34.152 1.765 1
1 768 . 17 1 1 A 67 67 VAL N N 67 122.047 122.983 -0.936 1
1 769 . 17 1 1 A 68 68 GLN H H 68 8.741 9.029 -0.288 1
1 770 . 17 1 1 A 68 68 GLN HA H 68 5.543 5.275 0.268 1
1 777 . 17 1 1 A 68 68 GLN C C 68 175.452 174.974 0.478 1
1 778 . 17 1 1 A 68 68 GLN CA C 68 54.462 54.519 -0.057 1
1 779 . 17 1 1 A 68 68 GLN CB C 68 32.087 31.402 0.685 1
1 781 . 17 1 1 A 68 68 GLN N N 68 124.250 128.050 -3.800 1
1 783 . 17 1 1 A 69 69 VAL H H 69 8.912 8.494 0.418 1
1 784 . 17 1 1 A 69 69 VAL HA H 69 5.012 4.928 0.084 1
1 792 . 17 1 1 A 69 69 VAL C C 69 175.870 174.826 1.044 1
1 793 . 17 1 1 A 69 69 VAL CA C 69 59.045 59.136 -0.091 1
1 794 . 17 1 1 A 69 69 VAL CB C 69 35.106 35.483 -0.377 1
1 797 . 17 1 1 A 69 69 VAL N N 69 117.045 120.984 -3.939 1
1 798 . 17 1 1 A 70 70 THR H H 70 8.491 8.524 -0.033 1
1 799 . 17 1 1 A 70 70 THR HA H 70 4.585 4.356 0.229 1
1 804 . 17 1 1 A 70 70 THR C C 70 175.015 175.723 -0.708 1
1 805 . 17 1 1 A 70 70 THR CA C 70 62.917 62.702 0.215 1
1 806 . 17 1 1 A 70 70 THR CB C 70 70.767 69.140 1.627 1
1 808 . 17 1 1 A 70 70 THR N N 70 111.495 118.358 -6.863 1
1 809 . 17 1 1 A 71 71 SER H H 71 7.522 9.043 -1.521 1
1 810 . 17 1 1 A 71 71 SER HA H 71 4.148 4.446 -0.298 1
1 813 . 17 1 1 A 71 71 SER C C 71 174.340 176.236 -1.896 1
1 814 . 17 1 1 A 71 71 SER CA C 71 59.749 61.085 -1.336 1
1 815 . 17 1 1 A 71 71 SER CB C 71 63.060 62.752 0.308 1
1 816 . 17 1 1 A 71 71 SER N N 71 111.553 121.695 -10.142 1
1 817 . 17 1 1 A 72 72 GLN H H 72 7.718 7.762 -0.044 1
1 818 . 17 1 1 A 72 72 GLN HA H 72 4.428 4.279 0.149 1
1 823 . 17 1 1 A 72 72 GLN C C 72 176.456 176.298 0.158 1
1 824 . 17 1 1 A 72 72 GLN CA C 72 56.630 58.150 -1.520 1
1 825 . 17 1 1 A 72 72 GLN CB C 72 29.373 28.772 0.601 1
1 827 . 17 1 1 A 72 72 GLN N N 72 117.502 118.363 -0.861 1
1 829 . 17 1 1 A 73 73 GLU H H 73 7.650 7.628 0.022 1
1 830 . 17 1 1 A 73 73 GLU HA H 73 4.408 4.606 -0.198 1
1 835 . 17 1 1 A 73 73 GLU C C 73 176.484 176.084 0.400 1
1 836 . 17 1 1 A 73 73 GLU CA C 73 56.472 55.010 1.462 1
1 837 . 17 1 1 A 73 73 GLU CB C 73 31.962 28.724 3.238 1
1 839 . 17 1 1 A 73 73 GLU N N 73 119.175 120.385 -1.210 1
1 840 . 17 1 1 A 74 74 TYR H H 74 8.615 8.653 -0.038 1
1 841 . 17 1 1 A 74 74 TYR HA H 74 3.427 4.026 -0.599 1
1 848 . 17 1 1 A 74 74 TYR C C 74 171.853 174.863 -3.010 1
1 849 . 17 1 1 A 74 74 TYR CA C 74 56.565 60.280 -3.715 1
1 850 . 17 1 1 A 74 74 TYR CB C 74 39.410 37.887 1.523 1
1 855 . 17 1 1 A 74 74 TYR N N 74 118.997 124.583 -5.586 1
1 856 . 17 1 1 A 75 75 SER H H 75 6.801 7.743 -0.942 1
1 857 . 17 1 1 A 75 75 SER HA H 75 5.001 4.494 0.507 1
1 860 . 17 1 1 A 75 75 SER C C 75 172.976 172.228 0.748 1
1 861 . 17 1 1 A 75 75 SER CA C 75 56.154 56.650 -0.496 1
1 862 . 17 1 1 A 75 75 SER CB C 75 66.541 66.288 0.253 1
1 863 . 17 1 1 A 75 75 SER N N 75 109.803 111.269 -1.466 1
1 864 . 17 1 1 A 76 76 ALA H H 76 8.897 9.063 -0.166 1
1 865 . 17 1 1 A 76 76 ALA HA H 76 4.604 5.208 -0.604 1
1 869 . 17 1 1 A 76 76 ALA C C 76 174.777 174.928 -0.151 1
1 870 . 17 1 1 A 76 76 ALA CA C 76 51.359 50.660 0.699 1
1 871 . 17 1 1 A 76 76 ALA CB C 76 23.140 24.308 -1.168 1
1 872 . 17 1 1 A 76 76 ALA N N 76 120.416 123.276 -2.860 1
1 873 . 17 1 1 A 77 77 ARG H H 77 8.529 8.712 -0.183 1
1 874 . 17 1 1 A 77 77 ARG HA H 77 4.681 5.122 -0.441 1
1 881 . 17 1 1 A 77 77 ARG C C 77 174.533 174.388 0.145 1
1 882 . 17 1 1 A 77 77 ARG CA C 77 54.973 54.356 0.617 1
1 883 . 17 1 1 A 77 77 ARG CB C 77 31.839 33.753 -1.914 1
1 886 . 17 1 1 A 77 77 ARG N N 77 121.172 120.165 1.007 1
1 887 . 17 1 1 A 78 78 LEU H H 78 9.089 9.004 0.085 1
1 888 . 17 1 1 A 78 78 LEU HA H 78 4.396 4.883 -0.487 1
1 898 . 17 1 1 A 78 78 LEU C C 78 175.107 175.625 -0.518 1
1 899 . 17 1 1 A 78 78 LEU CA C 78 53.333 53.059 0.274 1
1 900 . 17 1 1 A 78 78 LEU CB C 78 41.272 43.925 -2.653 1
1 904 . 17 1 1 A 78 78 LEU N N 78 126.698 128.433 -1.735 1
1 905 . 17 1 1 A 79 79 GLU H H 79 8.239 8.645 -0.406 1
1 906 . 17 1 1 A 79 79 GLU HA H 79 5.034 4.890 0.144 1
1 911 . 17 1 1 A 79 79 GLU C C 79 174.792 175.546 -0.754 1
1 912 . 17 1 1 A 79 79 GLU CA C 79 54.056 54.487 -0.431 1
1 913 . 17 1 1 A 79 79 GLU CB C 79 33.692 33.305 0.387 1
1 915 . 17 1 1 A 79 79 GLU N N 79 119.147 121.342 -2.195 1
1 916 . 17 1 1 A 80 80 ASN H H 80 9.068 8.679 0.389 1
1 917 . 17 1 1 A 80 80 ASN HA H 80 4.303 4.304 -0.001 1
1 922 . 17 1 1 A 80 80 ASN C C 80 174.823 174.091 0.732 1
1 923 . 17 1 1 A 80 80 ASN CA C 80 54.462 54.277 0.185 1
1 924 . 17 1 1 A 80 80 ASN CB C 80 37.359 36.948 0.411 1
1 925 . 17 1 1 A 80 80 ASN N N 80 113.324 116.478 -3.154 1
1 927 . 17 1 1 A 81 81 LEU H H 81 8.671 7.519 1.152 1
1 928 . 17 1 1 A 81 81 LEU HA H 81 4.252 4.730 -0.478 1
1 938 . 17 1 1 A 81 81 LEU C C 81 175.804 175.955 -0.151 1
1 939 . 17 1 1 A 81 81 LEU CA C 81 53.841 53.210 0.631 1
1 940 . 17 1 1 A 81 81 LEU CB C 81 40.891 43.752 -2.861 1
1 944 . 17 1 1 A 81 81 LEU N N 81 117.886 118.819 -0.933 1
1 945 . 17 1 1 A 82 82 LEU H H 82 8.448 8.922 -0.474 1
1 946 . 17 1 1 A 82 82 LEU HA H 82 4.600 4.779 -0.179 1
1 956 . 17 1 1 A 82 82 LEU C C 82 175.149 174.935 0.214 1
1 957 . 17 1 1 A 82 82 LEU CA C 82 52.629 52.774 -0.145 1
1 958 . 17 1 1 A 82 82 LEU CB C 82 42.449 41.404 1.045 1
1 962 . 17 1 1 A 82 82 LEU N N 82 121.118 122.666 -1.548 1
1 963 . 17 1 1 A 83 83 PRO HA H 83 5.237 4.372 0.865 1
1 970 . 17 1 1 A 83 83 PRO C C 83 178.145 177.229 0.916 1
1 971 . 17 1 1 A 83 83 PRO CA C 83 62.472 63.499 -1.027 1
1 972 . 17 1 1 A 83 83 PRO CB C 83 33.232 32.035 1.197 1
1 975 . 17 1 1 A 84 84 ASP H H 84 7.943 9.332 -1.389 1
1 976 . 17 1 1 A 84 84 ASP HA H 84 4.208 4.410 -0.202 1
1 979 . 17 1 1 A 84 84 ASP C C 84 174.476 174.701 -0.225 1
1 980 . 17 1 1 A 84 84 ASP CA C 84 54.250 55.147 -0.897 1
1 981 . 17 1 1 A 84 84 ASP CB C 84 41.568 39.695 1.873 1
1 982 . 17 1 1 A 84 84 ASP N N 84 126.496 121.685 4.811 1
1 983 . 17 1 1 A 85 85 THR H H 85 8.261 8.061 0.200 1
1 984 . 17 1 1 A 85 85 THR HA H 85 4.381 4.628 -0.247 1
1 989 . 17 1 1 A 85 85 THR C C 85 170.639 172.877 -2.238 1
1 990 . 17 1 1 A 85 85 THR CA C 85 62.951 61.252 1.699 1
1 991 . 17 1 1 A 85 85 THR CB C 85 72.217 71.637 0.580 1
1 993 . 17 1 1 A 85 85 THR N N 85 114.015 113.018 0.997 1
1 994 . 17 1 1 A 86 86 GLN H H 86 8.221 8.415 -0.194 1
1 995 . 17 1 1 A 86 86 GLN HA H 86 3.664 3.986 -0.322 1
1 1002 . 17 1 1 A 86 86 GLN C C 86 172.890 173.926 -1.036 1
1 1003 . 17 1 1 A 86 86 GLN CA C 86 54.585 54.893 -0.308 1
1 1004 . 17 1 1 A 86 86 GLN CB C 86 28.836 28.930 -0.094 1
1 1006 . 17 1 1 A 86 86 GLN N N 86 127.039 126.451 0.588 1
1 1008 . 17 1 1 A 87 87 TYR H H 87 8.976 8.461 0.515 1
1 1009 . 17 1 1 A 87 87 TYR HA H 87 4.583 4.604 -0.021 1
1 1016 . 17 1 1 A 87 87 TYR C C 87 173.534 174.519 -0.985 1
1 1017 . 17 1 1 A 87 87 TYR CA C 87 57.599 56.140 1.459 1
1 1018 . 17 1 1 A 87 87 TYR CB C 87 42.344 41.209 1.135 1
1 1023 . 17 1 1 A 87 87 TYR N N 87 126.060 125.499 0.561 1
1 1024 . 17 1 1 A 88 88 PHE H H 88 8.388 8.484 -0.096 1
1 1025 . 17 1 1 A 88 88 PHE HA H 88 4.902 4.975 -0.073 1
1 1033 . 17 1 1 A 88 88 PHE C C 88 175.238 174.734 0.504 1
1 1034 . 17 1 1 A 88 88 PHE CA C 88 55.872 56.682 -0.810 1
1 1035 . 17 1 1 A 88 88 PHE CB C 88 40.284 37.126 3.158 1
1 1041 . 17 1 1 A 88 88 PHE N N 88 118.991 123.003 -4.012 1
1 1042 . 17 1 1 A 89 89 ILE H H 89 8.450 8.811 -0.361 1
1 1043 . 17 1 1 A 89 89 ILE HA H 89 4.913 4.520 0.393 1
1 1053 . 17 1 1 A 89 89 ILE C C 89 174.770 175.636 -0.866 1
1 1054 . 17 1 1 A 89 89 ILE CA C 89 60.472 61.038 -0.566 1
1 1055 . 17 1 1 A 89 89 ILE CB C 89 43.167 38.364 4.803 1
1 1059 . 17 1 1 A 89 89 ILE N N 89 118.943 125.211 -6.268 1
1 1060 . 17 1 1 A 90 90 GLU H H 90 9.071 8.604 0.467 1
1 1061 . 17 1 1 A 90 90 GLU HA H 90 4.558 4.794 -0.236 1
1 1066 . 17 1 1 A 90 90 GLU C C 90 173.981 174.379 -0.398 1
1 1067 . 17 1 1 A 90 90 GLU CA C 90 54.831 55.361 -0.530 1
1 1068 . 17 1 1 A 90 90 GLU CB C 90 35.052 33.586 1.466 1
1 1070 . 17 1 1 A 90 90 GLU N N 90 124.044 126.105 -2.061 1
1 1071 . 17 1 1 A 91 91 VAL H H 91 8.564 8.755 -0.191 1
1 1072 . 17 1 1 A 91 91 VAL HA H 91 4.968 4.796 0.172 1
1 1080 . 17 1 1 A 91 91 VAL C C 91 174.488 175.348 -0.860 1
1 1081 . 17 1 1 A 91 91 VAL CA C 91 60.525 60.824 -0.299 1
1 1082 . 17 1 1 A 91 91 VAL CB C 91 34.308 32.892 1.416 1
1 1085 . 17 1 1 A 91 91 VAL N N 91 121.165 127.705 -6.540 1
1 1086 . 17 1 1 A 92 92 GLY H H 92 8.941 9.091 -0.150 1
1 1087 . 17 1 1 A 92 92 GLY HA2 H 92 4.571 4.261 0.310 1
1 1088 . 17 1 1 A 92 92 GLY HA3 H 92 3.581 4.264 -0.683 1
1 1089 . 17 1 1 A 92 92 GLY C C 92 171.577 172.371 -0.794 1
1 1090 . 17 1 1 A 92 92 GLY CA C 92 43.640 44.561 -0.921 1
1 1091 . 17 1 1 A 92 92 GLY N N 92 112.251 114.990 -2.739 1
1 1092 . 17 1 1 A 93 93 ALA H H 93 10.001 8.663 1.338 1
1 1093 . 17 1 1 A 93 93 ALA HA H 93 4.560 4.164 0.396 1
1 1097 . 17 1 1 A 93 93 ALA C C 93 176.786 176.729 0.057 1
1 1098 . 17 1 1 A 93 93 ALA CA C 93 51.060 51.896 -0.836 1
1 1099 . 17 1 1 A 93 93 ALA CB C 93 21.088 19.426 1.662 1
1 1100 . 17 1 1 A 93 93 ALA N N 93 126.200 126.242 -0.042 1
1 1101 . 17 1 1 A 94 94 CYS H H 94 8.739 8.497 0.242 1
1 1102 . 17 1 1 A 94 94 CYS HA H 94 5.214 4.771 0.443 1
1 1105 . 17 1 1 A 94 94 CYS C C 94 174.087 172.363 1.724 1
1 1106 . 17 1 1 A 94 94 CYS CA C 94 57.088 57.889 -0.801 1
1 1107 . 17 1 1 A 94 94 CYS CB C 94 31.345 30.984 0.361 1
1 1108 . 17 1 1 A 94 94 CYS N N 94 118.064 119.883 -1.819 1
1 1109 . 17 1 1 A 95 95 ASN H H 95 8.968 8.759 0.209 1
1 1110 . 17 1 1 A 95 95 ASN HA H 95 4.593 5.048 -0.455 1
1 1115 . 17 1 1 A 95 95 ASN C C 95 176.009 175.895 0.114 1
1 1116 . 17 1 1 A 95 95 ASN CA C 95 52.981 52.107 0.874 1
1 1117 . 17 1 1 A 95 95 ASN CB C 95 39.336 40.381 -1.045 1
1 1118 . 17 1 1 A 95 95 ASN N N 95 121.604 125.282 -3.678 1
1 1120 . 17 1 1 A 96 96 SER H H 96 8.483 8.972 -0.489 1
1 1121 . 17 1 1 A 96 96 SER HA H 96 4.085 4.068 0.017 1
1 1124 . 17 1 1 A 96 96 SER C C 96 174.700 175.921 -1.221 1
1 1125 . 17 1 1 A 96 96 SER CA C 96 61.600 61.092 0.508 1
1 1126 . 17 1 1 A 96 96 SER CB C 96 62.794 62.591 0.203 1
1 1127 . 17 1 1 A 96 96 SER N N 96 113.664 120.981 -7.317 1
1 1128 . 17 1 1 A 97 97 ALA H H 97 8.187 7.626 0.561 1
1 1129 . 17 1 1 A 97 97 ALA HA H 97 4.357 4.308 0.049 1
1 1133 . 17 1 1 A 97 97 ALA C C 97 177.600 176.466 1.134 1
1 1134 . 17 1 1 A 97 97 ALA CA C 97 52.681 54.146 -1.465 1
1 1135 . 17 1 1 A 97 97 ALA CB C 97 19.192 19.470 -0.278 1
1 1136 . 17 1 1 A 97 97 ALA N N 97 123.374 121.145 2.229 1
1 1137 . 17 1 1 A 98 98 GLY H H 98 7.800 7.860 -0.060 1
1 1138 . 17 1 1 A 98 98 GLY HA2 H 98 4.444 4.142 0.302 1
1 1139 . 17 1 1 A 98 98 GLY HA3 H 98 3.840 4.142 -0.302 1
1 1140 . 17 1 1 A 98 98 GLY C C 98 171.071 172.685 -1.614 1
1 1141 . 17 1 1 A 98 98 GLY CA C 98 44.809 43.946 0.863 1
1 1142 . 17 1 1 A 98 98 GLY N N 98 106.029 104.698 1.331 1
1 1143 . 17 1 1 A 99 99 CYS H H 99 8.399 8.761 -0.362 1
1 1144 . 17 1 1 A 99 99 CYS HA H 99 4.891 5.483 -0.592 1
1 1147 . 17 1 1 A 99 99 CYS C C 99 175.557 174.309 1.248 1
1 1148 . 17 1 1 A 99 99 CYS CA C 99 57.670 56.866 0.804 1
1 1149 . 17 1 1 A 99 99 CYS CB C 99 29.469 31.015 -1.546 1
1 1150 . 17 1 1 A 99 99 CYS N N 99 117.855 116.653 1.202 1
1 1151 . 17 1 1 A 100 100 GLY H H 100 8.930 8.614 0.316 1
1 1152 . 17 1 1 A 100 100 GLY HA2 H 100 4.282 4.235 0.047 1
1 1153 . 17 1 1 A 100 100 GLY HA3 H 100 3.764 4.242 -0.478 1
1 1154 . 17 1 1 A 100 100 GLY C C 100 170.974 172.541 -1.567 1
1 1155 . 17 1 1 A 100 100 GLY CA C 100 45.578 43.818 1.760 1
1 1156 . 17 1 1 A 100 100 GLY N N 100 113.025 108.541 4.484 1
1 1157 . 17 1 1 A 101 101 PRO HA H 101 4.616 4.616 0.000 1
1 1164 . 17 1 1 A 101 101 PRO CA C 101 60.598 62.175 -1.577 1
1 1165 . 17 1 1 A 101 101 PRO CB C 101 30.874 31.748 -0.874 1
1 1168 . 17 1 1 A 102 102 PRO HA H 102 4.659 4.514 0.145 1
1 1175 . 17 1 1 A 102 102 PRO C C 102 178.078 176.591 1.487 1
1 1176 . 17 1 1 A 102 102 PRO CA C 102 62.111 62.447 -0.336 1
1 1177 . 17 1 1 A 102 102 PRO CB C 102 32.383 31.919 0.464 1
1 1180 . 17 1 1 A 103 103 SER H H 103 8.732 8.372 0.360 1
1 1181 . 17 1 1 A 103 103 SER HA H 103 4.222 4.628 -0.406 1
1 1184 . 17 1 1 A 103 103 SER C C 103 173.155 173.831 -0.676 1
1 1185 . 17 1 1 A 103 103 SER CA C 103 58.321 57.501 0.820 1
1 1186 . 17 1 1 A 103 103 SER CB C 103 65.815 65.391 0.424 1
1 1187 . 17 1 1 A 103 103 SER N N 103 113.387 114.747 -1.360 1
1 1188 . 17 1 1 A 104 104 ASP H H 104 8.248 8.806 -0.558 1
1 1189 . 17 1 1 A 104 104 ASP HA H 104 4.472 4.528 -0.056 1
1 1192 . 17 1 1 A 104 104 ASP C C 104 176.703 176.462 0.241 1
1 1193 . 17 1 1 A 104 104 ASP CA C 104 55.573 54.859 0.714 1
1 1194 . 17 1 1 A 104 104 ASP CB C 104 40.583 41.341 -0.758 1
1 1195 . 17 1 1 A 104 104 ASP N N 104 119.021 121.019 -1.998 1
1 1196 . 17 1 1 A 105 105 MET H H 105 8.460 8.464 -0.004 1
1 1197 . 17 1 1 A 105 105 MET HA H 105 4.542 4.555 -0.013 1
1 1205 . 17 1 1 A 105 105 MET C C 105 175.687 175.199 0.488 1
1 1206 . 17 1 1 A 105 105 MET CA C 105 56.348 55.910 0.438 1
1 1207 . 17 1 1 A 105 105 MET CB C 105 33.610 33.195 0.415 1
1 1210 . 17 1 1 A 105 105 MET N N 105 124.915 122.099 2.816 1
1 1211 . 17 1 1 A 106 106 ILE H H 106 8.914 8.747 0.167 1
1 1212 . 17 1 1 A 106 106 ILE HA H 106 4.571 5.030 -0.459 1
1 1222 . 17 1 1 A 106 106 ILE C C 106 173.498 175.646 -2.148 1
1 1223 . 17 1 1 A 106 106 ILE CA C 106 59.185 59.732 -0.547 1
1 1224 . 17 1 1 A 106 106 ILE CB C 106 40.786 41.332 -0.546 1
1 1228 . 17 1 1 A 106 106 ILE N N 106 126.141 127.036 -0.895 1
1 1229 . 17 1 1 A 107 107 GLU H H 107 7.999 9.160 -1.161 1
1 1230 . 17 1 1 A 107 107 GLU HA H 107 5.373 5.019 0.354 1
1 1235 . 17 1 1 A 107 107 GLU C C 107 175.263 174.963 0.300 1
1 1236 . 17 1 1 A 107 107 GLU CA C 107 53.343 54.706 -1.363 1
1 1237 . 17 1 1 A 107 107 GLU CB C 107 32.951 33.177 -0.226 1
1 1239 . 17 1 1 A 107 107 GLU N N 107 121.346 122.835 -1.489 1
1 1240 . 17 1 1 A 108 108 ALA H H 108 8.685 9.011 -0.326 1
1 1241 . 17 1 1 A 108 108 ALA HA H 108 4.549 5.586 -1.037 1
1 1245 . 17 1 1 A 108 108 ALA C C 108 174.431 175.646 -1.215 1
1 1246 . 17 1 1 A 108 108 ALA CA C 108 51.113 50.021 1.092 1
1 1247 . 17 1 1 A 108 108 ALA CB C 108 23.724 23.046 0.678 1
1 1248 . 17 1 1 A 108 108 ALA N N 108 123.009 124.338 -1.329 1
1 1249 . 17 1 1 A 109 109 PHE H H 109 8.519 9.115 -0.596 1
1 1250 . 17 1 1 A 109 109 PHE HA H 109 5.481 5.088 0.393 1
1 1258 . 17 1 1 A 109 109 PHE C C 109 177.604 175.929 1.675 1
1 1259 . 17 1 1 A 109 109 PHE CA C 109 55.854 56.553 -0.699 1
1 1260 . 17 1 1 A 109 109 PHE CB C 109 41.019 40.658 0.361 1
1 1266 . 17 1 1 A 109 109 PHE N N 109 119.997 118.182 1.815 1
1 1267 . 17 1 1 A 110 110 THR H H 110 8.839 8.464 0.375 1
1 1268 . 17 1 1 A 110 110 THR HA H 110 4.103 4.613 -0.510 1
1 1273 . 17 1 1 A 110 110 THR C C 110 175.354 174.375 0.979 1
1 1274 . 17 1 1 A 110 110 THR CA C 110 61.763 61.391 0.372 1
1 1275 . 17 1 1 A 110 110 THR CB C 110 69.356 71.283 -1.927 1
1 1277 . 17 1 1 A 110 110 THR N N 110 112.067 116.377 -4.310 1
1 1278 . 17 1 1 A 111 111 LYS H H 111 6.542 8.311 -1.769 1
1 1279 . 17 1 1 A 111 111 LYS HA H 111 4.208 4.783 -0.575 1
1 1288 . 17 1 1 A 111 111 LYS C C 111 176.693 176.050 0.643 1
1 1289 . 17 1 1 A 111 111 LYS CA C 111 56.383 54.433 1.950 1
1 1290 . 17 1 1 A 111 111 LYS CB C 111 33.447 35.016 -1.569 1
1 1294 . 17 1 1 A 111 111 LYS N N 111 116.497 119.750 -3.253 1
1 1295 . 17 1 1 A 112 112 LYS H H 112 8.230 8.506 -0.276 1
1 1296 . 17 1 1 A 112 112 LYS HA H 112 4.143 4.484 -0.341 1
1 1304 . 17 1 1 A 112 112 LYS C C 112 176.823 176.608 0.215 1
1 1305 . 17 1 1 A 112 112 LYS CA C 112 57.229 55.969 1.260 1
1 1306 . 17 1 1 A 112 112 LYS CB C 112 33.528 33.468 0.060 1
1 1310 . 17 1 1 A 112 112 LYS N N 112 118.783 120.822 -2.039 1
1 1311 . 17 1 1 A 113 113 ALA H H 113 8.762 8.393 0.369 1
1 1312 . 17 1 1 A 113 113 ALA HA H 113 4.338 4.368 -0.030 1
1 1316 . 17 1 1 A 113 113 ALA C C 113 177.688 176.501 1.187 1
1 1317 . 17 1 1 A 113 113 ALA CA C 113 52.417 52.975 -0.558 1
1 1318 . 17 1 1 A 113 113 ALA CB C 113 19.272 19.147 0.125 1
1 1319 . 17 1 1 A 113 113 ALA N N 113 124.432 126.808 -2.376 1
1 1320 . 17 1 1 A 114 114 SER H H 114 8.386 8.822 -0.436 1
1 1321 . 17 1 1 A 114 114 SER HA H 114 4.487 5.369 -0.882 1
1 1324 . 17 1 1 A 114 114 SER C C 114 174.474 173.116 1.358 1
1 1325 . 17 1 1 A 114 114 SER CA C 114 58.063 56.448 1.615 1
1 1326 . 17 1 1 A 114 114 SER CB C 114 64.012 65.463 -1.451 1
1 1327 . 17 1 1 A 114 114 SER N N 114 115.798 117.924 -2.126 1
1 1328 . 17 1 1 A 115 115 GLY H H 115 8.278 8.423 -0.145 1
1 1329 . 17 1 1 A 115 115 GLY HA2 H 115 4.172 4.207 -0.035 1
1 1330 . 17 1 1 A 115 115 GLY HA3 H 115 4.094 4.207 -0.113 1
1 1331 . 17 1 1 A 115 115 GLY C C 115 171.799 174.130 -2.331 1
1 1332 . 17 1 1 A 115 115 GLY CA C 115 44.662 45.213 -0.551 1
1 1333 . 17 1 1 A 115 115 GLY N N 115 110.600 112.789 -2.189 1
1 1334 . 17 1 1 A 116 116 PRO HA H 116 4.472 4.360 0.112 1
1 1341 . 17 1 1 A 116 116 PRO C C 116 177.440 177.852 -0.412 1
1 1342 . 17 1 1 A 116 116 PRO CA C 116 63.275 65.089 -1.814 1
1 1343 . 17 1 1 A 116 116 PRO CB C 116 32.169 32.141 0.028 1
1 1346 . 17 1 1 A 117 117 SER HA H 117 4.505 4.252 0.253 1
1 1348 . 17 1 1 A 117 117 SER C C 117 174.652 174.260 0.392 1
1 1349 . 17 1 1 A 117 117 SER CA C 117 58.393 61.221 -2.828 1
1 1350 . 17 1 1 A 117 117 SER CB C 117 63.899 63.519 0.380 1
1 1351 . 17 1 1 A 117 117 SER N N 117 116.140 112.338 3.802 1
1 1352 . 17 1 1 A 118 118 SER H H 118 8.314 7.739 0.575 1
1 1353 . 17 1 1 A 118 118 SER HA H 118 4.494 4.622 -0.128 1
1 1355 . 17 1 1 A 118 118 SER C C 118 173.938 174.737 -0.799 1
1 1356 . 17 1 1 A 118 118 SER CA C 118 58.428 57.379 1.049 1
1 1357 . 17 1 1 A 118 118 SER CB C 118 63.929 64.782 -0.853 1
1 1358 . 17 1 1 A 118 118 SER N N 118 117.760 112.157 5.603 1
1 6 . 18 1 1 A 4 4 GLY H H 4 8.507 8.977 -0.470 1
1 7 . 18 1 1 A 4 4 GLY HA2 H 4 4.513 4.258 0.255 1
1 8 . 18 1 1 A 4 4 GLY HA3 H 4 3.859 4.259 -0.400 1
1 9 . 18 1 1 A 4 4 GLY CA C 4 44.199 44.719 -0.520 1
1 10 . 18 1 1 A 4 4 GLY N N 4 116.148 108.785 7.363 1
1 11 . 18 1 1 A 6 6 SER HA H 6 4.472 4.466 0.006 1
1 13 . 18 1 1 A 6 6 SER C C 6 174.998 174.710 0.288 1
1 14 . 18 1 1 A 6 6 SER CA C 6 58.657 59.033 -0.376 1
1 15 . 18 1 1 A 6 6 SER CB C 6 64.025 62.115 1.910 1
1 16 . 18 1 1 A 7 7 GLY H H 7 8.399 8.472 -0.073 1
1 17 . 18 1 1 A 7 7 GLY HA2 H 7 3.963 3.819 0.144 1
1 18 . 18 1 1 A 7 7 GLY HA3 H 7 3.963 3.820 0.143 1
1 19 . 18 1 1 A 7 7 GLY C C 7 173.942 174.814 -0.872 1
1 20 . 18 1 1 A 7 7 GLY CA C 7 45.332 47.238 -1.906 1
1 21 . 18 1 1 A 7 7 GLY N N 7 110.856 113.659 -2.803 1
1 22 . 18 1 1 A 8 8 VAL H H 8 7.919 7.585 0.334 1
1 23 . 18 1 1 A 8 8 VAL HA H 8 4.101 4.133 -0.032 1
1 31 . 18 1 1 A 8 8 VAL C C 8 175.827 175.680 0.147 1
1 32 . 18 1 1 A 8 8 VAL CA C 8 61.987 61.645 0.342 1
1 33 . 18 1 1 A 8 8 VAL CB C 8 32.786 32.529 0.257 1
1 36 . 18 1 1 A 8 8 VAL N N 8 119.305 116.829 2.476 1
1 37 . 18 1 1 A 9 9 ALA H H 9 8.367 8.905 -0.538 1
1 38 . 18 1 1 A 9 9 ALA HA H 9 4.329 4.799 -0.470 1
1 42 . 18 1 1 A 9 9 ALA C C 9 177.422 175.039 2.383 1
1 43 . 18 1 1 A 9 9 ALA CA C 9 52.399 51.385 1.014 1
1 44 . 18 1 1 A 9 9 ALA CB C 9 19.317 22.934 -3.617 1
1 45 . 18 1 1 A 9 9 ALA N N 9 128.175 126.013 2.162 1
1 46 . 18 1 1 A 10 10 VAL H H 10 8.154 8.534 -0.380 1
1 47 . 18 1 1 A 10 10 VAL HA H 10 4.046 4.510 -0.464 1
1 55 . 18 1 1 A 10 10 VAL C C 10 176.076 175.752 0.324 1
1 56 . 18 1 1 A 10 10 VAL CA C 10 62.288 60.974 1.314 1
1 57 . 18 1 1 A 10 10 VAL CB C 10 32.786 33.104 -0.318 1
1 60 . 18 1 1 A 10 10 VAL N N 10 120.641 119.401 1.240 1
1 61 . 18 1 1 A 11 11 ILE H H 11 8.261 8.366 -0.105 1
1 62 . 18 1 1 A 11 11 ILE HA H 11 4.148 4.360 -0.212 1
1 72 . 18 1 1 A 11 11 ILE C C 11 175.857 175.833 0.024 1
1 73 . 18 1 1 A 11 11 ILE CA C 11 60.842 60.226 0.616 1
1 74 . 18 1 1 A 11 11 ILE CB C 11 38.776 39.461 -0.685 1
1 78 . 18 1 1 A 11 11 ILE N N 11 125.253 124.811 0.442 1
1 79 . 18 1 1 A 12 12 ASN H H 12 8.575 8.636 -0.061 1
1 80 . 18 1 1 A 12 12 ASN HA H 12 4.737 4.551 0.186 1
1 85 . 18 1 1 A 12 12 ASN C C 12 175.004 176.086 -1.082 1
1 86 . 18 1 1 A 12 12 ASN CA C 12 53.087 53.733 -0.646 1
1 87 . 18 1 1 A 12 12 ASN CB C 12 39.076 38.761 0.315 1
1 88 . 18 1 1 A 12 12 ASN N N 12 123.538 120.958 2.580 1
1 90 . 18 1 1 A 13 13 SER H H 13 8.317 8.467 -0.150 1
1 91 . 18 1 1 A 13 13 SER HA H 13 4.373 4.627 -0.254 1
1 94 . 18 1 1 A 13 13 SER C C 13 174.118 174.173 -0.055 1
1 95 . 18 1 1 A 13 13 SER CA C 13 58.375 58.841 -0.466 1
1 96 . 18 1 1 A 13 13 SER CB C 13 63.866 63.929 -0.063 1
1 97 . 18 1 1 A 13 13 SER N N 13 116.982 117.737 -0.755 1
1 98 . 18 1 1 A 14 14 ALA H H 14 8.317 8.853 -0.536 1
1 99 . 18 1 1 A 14 14 ALA HA H 14 4.285 4.681 -0.396 1
1 103 . 18 1 1 A 14 14 ALA C C 14 177.298 175.911 1.387 1
1 104 . 18 1 1 A 14 14 ALA CA C 14 52.628 51.563 1.065 1
1 105 . 18 1 1 A 14 14 ALA CB C 14 19.192 22.729 -3.537 1
1 106 . 18 1 1 A 14 14 ALA N N 14 125.606 123.856 1.750 1
1 107 . 18 1 1 A 15 15 GLN H H 15 8.221 8.617 -0.396 1
1 108 . 18 1 1 A 15 15 GLN HA H 15 4.237 4.506 -0.269 1
1 115 . 18 1 1 A 15 15 GLN C C 15 174.741 175.336 -0.595 1
1 116 . 18 1 1 A 15 15 GLN CA C 15 55.925 55.836 0.089 1
1 117 . 18 1 1 A 15 15 GLN CB C 15 29.990 29.996 -0.006 1
1 119 . 18 1 1 A 15 15 GLN N N 15 119.248 118.684 0.564 1
1 121 . 18 1 1 A 16 16 ASP H H 16 7.898 7.528 0.370 1
1 122 . 18 1 1 A 16 16 ASP HA H 16 4.714 4.962 -0.248 1
1 125 . 18 1 1 A 16 16 ASP C C 16 175.219 173.830 1.389 1
1 126 . 18 1 1 A 16 16 ASP CA C 16 53.387 53.502 -0.115 1
1 127 . 18 1 1 A 16 16 ASP CB C 16 42.771 43.897 -1.126 1
1 128 . 18 1 1 A 16 16 ASP N N 16 119.674 119.167 0.507 1
1 129 . 18 1 1 A 17 17 ALA H H 17 8.256 8.496 -0.240 1
1 130 . 18 1 1 A 17 17 ALA HA H 17 4.549 4.821 -0.272 1
1 134 . 18 1 1 A 17 17 ALA C C 17 174.226 174.332 -0.106 1
1 135 . 18 1 1 A 17 17 ALA CA C 17 50.514 49.727 0.787 1
1 136 . 18 1 1 A 17 17 ALA CB C 17 16.689 22.303 -5.614 1
1 137 . 18 1 1 A 17 17 ALA N N 17 123.830 123.055 0.775 1
1 138 . 18 1 1 A 18 18 PRO HA H 18 4.247 4.990 -0.743 1
1 145 . 18 1 1 A 18 18 PRO CA C 18 63.135 62.671 0.464 1
1 146 . 18 1 1 A 18 18 PRO CB C 18 31.866 31.710 0.156 1
1 149 . 18 1 1 A 19 19 SER HA H 19 4.524 4.460 0.064 1
1 152 . 18 1 1 A 19 19 SER C C 19 173.934 174.129 -0.195 1
1 153 . 18 1 1 A 19 19 SER CA C 19 58.657 59.999 -1.342 1
1 154 . 18 1 1 A 19 19 SER CB C 19 65.246 64.456 0.790 1
1 155 . 18 1 1 A 20 20 GLU H H 20 7.589 7.718 -0.129 1
1 156 . 18 1 1 A 20 20 GLU HA H 20 4.604 4.652 -0.048 1
1 161 . 18 1 1 A 20 20 GLU C C 20 175.082 175.387 -0.305 1
1 162 . 18 1 1 A 20 20 GLU CA C 20 54.762 56.021 -1.259 1
1 163 . 18 1 1 A 20 20 GLU CB C 20 33.405 31.094 2.311 1
1 165 . 18 1 1 A 20 20 GLU N N 20 121.739 120.601 1.138 1
1 166 . 18 1 1 A 21 21 ALA H H 21 8.564 8.609 -0.045 1
1 167 . 18 1 1 A 21 21 ALA HA H 21 4.995 4.887 0.108 1
1 171 . 18 1 1 A 21 21 ALA C C 21 175.731 174.516 1.215 1
1 172 . 18 1 1 A 21 21 ALA CA C 21 49.341 49.593 -0.252 1
1 173 . 18 1 1 A 21 21 ALA CB C 21 19.388 22.544 -3.156 1
1 174 . 18 1 1 A 21 21 ALA N N 21 125.054 127.652 -2.598 1
1 175 . 18 1 1 A 22 22 PRO HA H 22 4.529 4.879 -0.350 1
1 182 . 18 1 1 A 22 22 PRO C C 22 174.830 176.519 -1.689 1
1 183 . 18 1 1 A 22 22 PRO CA C 22 63.076 62.694 0.382 1
1 184 . 18 1 1 A 22 22 PRO CB C 22 32.294 31.116 1.178 1
1 187 . 18 1 1 A 23 23 THR H H 23 7.442 8.483 -1.041 1
1 188 . 18 1 1 A 23 23 THR HA H 23 4.663 4.747 -0.084 1
1 193 . 18 1 1 A 23 23 THR C C 23 172.878 174.553 -1.675 1
1 194 . 18 1 1 A 23 23 THR CA C 23 59.961 61.114 -1.153 1
1 195 . 18 1 1 A 23 23 THR CB C 23 72.337 70.187 2.150 1
1 197 . 18 1 1 A 23 23 THR N N 23 109.039 118.380 -9.341 1
1 198 . 18 1 1 A 24 24 GLU H H 24 8.782 8.876 -0.094 1
1 199 . 18 1 1 A 24 24 GLU HA H 24 3.911 3.802 0.109 1
1 204 . 18 1 1 A 24 24 GLU C C 24 175.816 175.814 0.002 1
1 205 . 18 1 1 A 24 24 GLU CA C 24 56.172 57.209 -1.037 1
1 206 . 18 1 1 A 24 24 GLU CB C 24 27.761 27.739 0.022 1
1 208 . 18 1 1 A 24 24 GLU N N 24 115.227 119.001 -3.774 1
1 209 . 18 1 1 A 25 25 VAL H H 25 8.030 8.113 -0.083 1
1 210 . 18 1 1 A 25 25 VAL HA H 25 4.891 4.240 0.651 1
1 218 . 18 1 1 A 25 25 VAL C C 25 177.065 176.121 0.944 1
1 219 . 18 1 1 A 25 25 VAL CA C 25 62.446 62.151 0.295 1
1 220 . 18 1 1 A 25 25 VAL CB C 25 31.471 32.485 -1.014 1
1 223 . 18 1 1 A 25 25 VAL N N 25 119.529 119.729 -0.200 1
1 224 . 18 1 1 A 26 26 GLY H H 26 8.796 8.476 0.320 1
1 225 . 18 1 1 A 26 26 GLY HA2 H 26 4.420 4.441 -0.021 1
1 226 . 18 1 1 A 26 26 GLY HA3 H 26 3.646 4.443 -0.797 1
1 227 . 18 1 1 A 26 26 GLY C C 26 170.874 173.077 -2.203 1
1 228 . 18 1 1 A 26 26 GLY CA C 26 44.468 44.255 0.213 1
1 229 . 18 1 1 A 26 26 GLY N N 26 114.560 112.084 2.476 1
1 230 . 18 1 1 A 27 27 VAL H H 27 8.332 8.779 -0.447 1
1 231 . 18 1 1 A 27 27 VAL HA H 27 5.508 5.238 0.270 1
1 239 . 18 1 1 A 27 27 VAL C C 27 175.652 173.570 2.082 1
1 240 . 18 1 1 A 27 27 VAL CA C 27 58.279 59.696 -1.417 1
1 241 . 18 1 1 A 27 27 VAL CB C 27 36.230 35.515 0.715 1
1 244 . 18 1 1 A 27 27 VAL N N 27 110.792 115.858 -5.066 1
1 245 . 18 1 1 A 28 28 LYS H H 28 9.143 9.708 -0.565 1
1 246 . 18 1 1 A 28 28 LYS HA H 28 4.550 5.074 -0.524 1
1 254 . 18 1 1 A 28 28 LYS C C 28 175.150 175.083 0.067 1
1 255 . 18 1 1 A 28 28 LYS CA C 28 55.396 54.809 0.587 1
1 256 . 18 1 1 A 28 28 LYS CB C 28 35.134 34.662 0.472 1
1 260 . 18 1 1 A 28 28 LYS N N 28 123.314 126.022 -2.708 1
1 261 . 18 1 1 A 29 29 VAL H H 29 9.190 8.921 0.269 1
1 262 . 18 1 1 A 29 29 VAL HA H 29 3.939 4.307 -0.368 1
1 270 . 18 1 1 A 29 29 VAL C C 29 176.162 175.571 0.591 1
1 271 . 18 1 1 A 29 29 VAL CA C 29 64.332 61.953 2.379 1
1 272 . 18 1 1 A 29 29 VAL CB C 29 31.417 31.796 -0.379 1
1 275 . 18 1 1 A 29 29 VAL N N 29 127.176 126.820 0.356 1
1 276 . 18 1 1 A 30 30 LEU H H 30 8.108 8.425 -0.317 1
1 277 . 18 1 1 A 30 30 LEU HA H 30 4.375 4.216 0.159 1
1 287 . 18 1 1 A 30 30 LEU C C 30 177.477 176.898 0.579 1
1 288 . 18 1 1 A 30 30 LEU CA C 30 55.886 56.487 -0.601 1
1 289 . 18 1 1 A 30 30 LEU CB C 30 42.498 42.594 -0.096 1
1 293 . 18 1 1 A 30 30 LEU N N 30 128.053 129.941 -1.888 1
1 294 . 18 1 1 A 31 31 SER H H 31 8.152 7.894 0.258 1
1 295 . 18 1 1 A 31 31 SER HA H 31 4.748 4.778 -0.030 1
1 298 . 18 1 1 A 31 31 SER C C 31 173.427 174.475 -1.048 1
1 299 . 18 1 1 A 31 31 SER CA C 31 57.811 57.290 0.521 1
1 300 . 18 1 1 A 31 31 SER CB C 31 64.517 66.981 -2.464 1
1 301 . 18 1 1 A 31 31 SER N N 31 112.798 111.781 1.017 1
1 302 . 18 1 1 A 32 32 SER H H 32 8.450 8.736 -0.286 1
1 303 . 18 1 1 A 32 32 SER HA H 32 4.604 4.190 0.414 1
1 306 . 18 1 1 A 32 32 SER C C 32 172.423 175.534 -3.111 1
1 307 . 18 1 1 A 32 32 SER CA C 32 59.414 61.211 -1.797 1
1 308 . 18 1 1 A 32 32 SER CB C 32 63.903 62.488 1.415 1
1 309 . 18 1 1 A 32 32 SER N N 32 112.687 117.802 -5.115 1
1 310 . 18 1 1 A 33 33 SER H H 33 8.355 7.917 0.438 1
1 311 . 18 1 1 A 33 33 SER HA H 33 4.759 4.593 0.166 1
1 314 . 18 1 1 A 33 33 SER C C 33 173.940 171.979 1.961 1
1 315 . 18 1 1 A 33 33 SER CA C 33 57.229 57.919 -0.690 1
1 316 . 18 1 1 A 33 33 SER CB C 33 66.786 63.791 2.995 1
1 317 . 18 1 1 A 33 33 SER N N 33 109.767 114.941 -5.174 1
1 318 . 18 1 1 A 34 34 GLU H H 34 6.978 7.489 -0.511 1
1 319 . 18 1 1 A 34 34 GLU HA H 34 5.487 5.149 0.338 1
1 324 . 18 1 1 A 34 34 GLU C C 34 175.294 174.823 0.471 1
1 325 . 18 1 1 A 34 34 GLU CA C 34 55.130 54.783 0.347 1
1 326 . 18 1 1 A 34 34 GLU CB C 34 35.711 32.836 2.875 1
1 328 . 18 1 1 A 34 34 GLU N N 34 119.009 118.084 0.925 1
1 329 . 18 1 1 A 35 35 ILE H H 35 8.190 8.664 -0.474 1
1 330 . 18 1 1 A 35 35 ILE HA H 35 4.477 4.887 -0.410 1
1 340 . 18 1 1 A 35 35 ILE C C 35 173.681 173.772 -0.091 1
1 341 . 18 1 1 A 35 35 ILE CA C 35 60.203 60.137 0.066 1
1 342 . 18 1 1 A 35 35 ILE CB C 35 43.791 41.360 2.431 1
1 346 . 18 1 1 A 35 35 ILE N N 35 120.691 124.706 -4.015 1
1 347 . 18 1 1 A 36 36 SER H H 36 9.269 9.095 0.174 1
1 348 . 18 1 1 A 36 36 SER HA H 36 5.300 5.297 0.003 1
1 351 . 18 1 1 A 36 36 SER C C 36 172.945 173.711 -0.766 1
1 352 . 18 1 1 A 36 36 SER CA C 36 56.549 57.418 -0.869 1
1 353 . 18 1 1 A 36 36 SER CB C 36 64.591 64.587 0.004 1
1 354 . 18 1 1 A 36 36 SER N N 36 120.471 123.314 -2.843 1
1 355 . 18 1 1 A 37 37 VAL H H 37 9.000 8.789 0.211 1
1 356 . 18 1 1 A 37 37 VAL HA H 37 4.902 4.670 0.232 1
1 364 . 18 1 1 A 37 37 VAL C C 37 173.530 174.560 -1.030 1
1 365 . 18 1 1 A 37 37 VAL CA C 37 60.261 61.593 -1.332 1
1 366 . 18 1 1 A 37 37 VAL CB C 37 35.001 34.272 0.729 1
1 369 . 18 1 1 A 37 37 VAL N N 37 127.009 124.701 2.308 1
1 370 . 18 1 1 A 38 38 HIS H H 38 8.779 8.759 0.020 1
1 371 . 18 1 1 A 38 38 HIS HA H 38 5.238 5.063 0.175 1
1 376 . 18 1 1 A 38 38 HIS C C 38 173.545 175.282 -1.737 1
1 377 . 18 1 1 A 38 38 HIS CA C 38 54.991 53.815 1.176 1
1 378 . 18 1 1 A 38 38 HIS CB C 38 32.564 31.601 0.963 1
1 381 . 18 1 1 A 38 38 HIS N N 38 123.115 125.118 -2.003 1
1 382 . 18 1 1 A 39 39 TRP H H 39 7.682 8.376 -0.694 1
1 383 . 18 1 1 A 39 39 TRP HA H 39 5.044 5.595 -0.551 1
1 392 . 18 1 1 A 39 39 TRP C C 39 173.585 173.553 0.032 1
1 393 . 18 1 1 A 39 39 TRP CA C 39 57.170 54.194 2.976 1
1 394 . 18 1 1 A 39 39 TRP CB C 39 31.554 32.578 -1.024 1
1 400 . 18 1 1 A 39 39 TRP N N 39 116.447 123.577 -7.130 1
1 402 . 18 1 1 A 40 40 GLU H H 40 8.522 9.038 -0.516 1
1 403 . 18 1 1 A 40 40 GLU HA H 40 4.619 4.962 -0.343 1
1 408 . 18 1 1 A 40 40 GLU C C 40 177.186 176.546 0.640 1
1 409 . 18 1 1 A 40 40 GLU CA C 40 54.356 54.812 -0.456 1
1 410 . 18 1 1 A 40 40 GLU CB C 40 30.344 32.263 -1.919 1
1 412 . 18 1 1 A 40 40 GLU N N 40 117.208 120.729 -3.521 1
1 413 . 18 1 1 A 41 41 HIS H H 41 8.477 9.002 -0.525 1
1 414 . 18 1 1 A 41 41 HIS HA H 41 4.748 4.771 -0.023 1
1 419 . 18 1 1 A 41 41 HIS C C 41 177.474 175.501 1.973 1
1 420 . 18 1 1 A 41 41 HIS CA C 41 54.779 57.172 -2.393 1
1 421 . 18 1 1 A 41 41 HIS CB C 41 31.140 30.315 0.825 1
1 424 . 18 1 1 A 41 41 HIS N N 41 119.083 125.035 -5.952 1
1 425 . 18 1 1 A 42 42 VAL H H 42 7.680 8.344 -0.664 1
1 426 . 18 1 1 A 42 42 VAL HA H 42 4.428 4.206 0.222 1
1 434 . 18 1 1 A 42 42 VAL C C 42 175.401 177.165 -1.764 1
1 435 . 18 1 1 A 42 42 VAL CA C 42 60.878 62.184 -1.306 1
1 436 . 18 1 1 A 42 42 VAL CB C 42 32.216 32.735 -0.519 1
1 439 . 18 1 1 A 42 42 VAL N N 42 114.975 123.861 -8.886 1
1 440 . 18 1 1 A 43 43 LEU H H 43 9.107 8.695 0.412 1
1 441 . 18 1 1 A 43 43 LEU HA H 43 4.303 4.062 0.241 1
1 451 . 18 1 1 A 43 43 LEU C C 43 178.603 177.475 1.128 1
1 452 . 18 1 1 A 43 43 LEU CA C 43 55.872 58.165 -2.293 1
1 453 . 18 1 1 A 43 43 LEU CB C 43 41.684 41.834 -0.150 1
1 457 . 18 1 1 A 43 43 LEU N N 43 123.877 124.365 -0.488 1
1 458 . 18 1 1 A 44 44 GLU H H 44 7.988 7.989 -0.001 1
1 459 . 18 1 1 A 44 44 GLU HA H 44 4.152 4.436 -0.284 1
1 464 . 18 1 1 A 44 44 GLU C C 44 177.236 176.515 0.721 1
1 465 . 18 1 1 A 44 44 GLU CA C 44 57.282 56.072 1.210 1
1 466 . 18 1 1 A 44 44 GLU CB C 44 31.033 30.552 0.481 1
1 468 . 18 1 1 A 44 44 GLU N N 44 119.655 120.300 -0.645 1
1 469 . 18 1 1 A 45 45 LYS H H 45 8.596 8.708 -0.112 1
1 470 . 18 1 1 A 45 45 LYS HA H 45 4.295 4.498 -0.203 1
1 479 . 18 1 1 A 45 45 LYS C C 45 177.258 177.310 -0.052 1
1 480 . 18 1 1 A 45 45 LYS CA C 45 57.170 56.094 1.076 1
1 481 . 18 1 1 A 45 45 LYS CB C 45 32.204 32.332 -0.128 1
1 485 . 18 1 1 A 45 45 LYS N N 45 120.518 124.524 -4.006 1
1 486 . 18 1 1 A 46 46 ILE H H 46 7.212 7.770 -0.558 1
1 487 . 18 1 1 A 46 46 ILE HA H 46 4.371 4.152 0.219 1
1 497 . 18 1 1 A 46 46 ILE C C 46 175.191 176.335 -1.144 1
1 498 . 18 1 1 A 46 46 ILE CA C 46 60.666 62.363 -1.697 1
1 499 . 18 1 1 A 46 46 ILE CB C 46 37.531 37.968 -0.437 1
1 503 . 18 1 1 A 46 46 ILE N N 46 111.434 114.308 -2.874 1
1 504 . 18 1 1 A 47 47 VAL H H 47 7.378 7.307 0.071 1
1 505 . 18 1 1 A 47 47 VAL HA H 47 3.658 3.851 -0.193 1
1 513 . 18 1 1 A 47 47 VAL C C 47 175.157 176.053 -0.896 1
1 514 . 18 1 1 A 47 47 VAL CA C 47 63.521 62.205 1.316 1
1 515 . 18 1 1 A 47 47 VAL CB C 47 33.570 32.402 1.168 1
1 518 . 18 1 1 A 47 47 VAL N N 47 122.780 122.128 0.652 1
1 519 . 18 1 1 A 48 48 GLU H H 48 8.733 8.830 -0.097 1
1 520 . 18 1 1 A 48 48 GLU HA H 48 4.615 4.143 0.472 1
1 525 . 18 1 1 A 48 48 GLU C C 48 176.241 176.243 -0.002 1
1 526 . 18 1 1 A 48 48 GLU CA C 48 56.701 58.441 -1.740 1
1 527 . 18 1 1 A 48 48 GLU CB C 48 32.966 30.569 2.397 1
1 529 . 18 1 1 A 48 48 GLU N N 48 124.835 124.908 -0.073 1
1 530 . 18 1 1 A 49 49 SER H H 49 8.130 7.579 0.551 1
1 531 . 18 1 1 A 49 49 SER HA H 49 4.726 4.557 0.169 1
1 534 . 18 1 1 A 49 49 SER C C 49 171.371 171.655 -0.284 1
1 535 . 18 1 1 A 49 49 SER CA C 49 57.440 57.496 -0.056 1
1 536 . 18 1 1 A 49 49 SER CB C 49 66.073 65.050 1.023 1
1 537 . 18 1 1 A 49 49 SER N N 49 114.231 109.861 4.370 1
1 538 . 18 1 1 A 50 50 TYR H H 50 8.681 8.809 -0.128 1
1 539 . 18 1 1 A 50 50 TYR HA H 50 5.057 5.030 0.027 1
1 546 . 18 1 1 A 50 50 TYR C C 50 174.034 175.192 -1.158 1
1 547 . 18 1 1 A 50 50 TYR CA C 50 57.434 57.120 0.314 1
1 548 . 18 1 1 A 50 50 TYR CB C 50 41.437 39.532 1.905 1
1 553 . 18 1 1 A 50 50 TYR N N 50 115.301 121.994 -6.693 1
1 554 . 18 1 1 A 51 51 GLN H H 51 9.200 8.481 0.719 1
1 555 . 18 1 1 A 51 51 GLN HA H 51 5.144 5.402 -0.258 1
1 562 . 18 1 1 A 51 51 GLN C C 51 173.878 174.365 -0.487 1
1 563 . 18 1 1 A 51 51 GLN CA C 51 53.669 54.264 -0.595 1
1 564 . 18 1 1 A 51 51 GLN CB C 51 32.783 31.039 1.744 1
1 566 . 18 1 1 A 51 51 GLN N N 51 119.842 120.912 -1.070 1
1 568 . 18 1 1 A 52 52 ILE H H 52 9.441 9.335 0.106 1
1 569 . 18 1 1 A 52 52 ILE HA H 52 4.803 4.681 0.122 1
1 579 . 18 1 1 A 52 52 ILE C C 52 174.953 174.801 0.152 1
1 580 . 18 1 1 A 52 52 ILE CA C 52 61.054 60.602 0.452 1
1 581 . 18 1 1 A 52 52 ILE CB C 52 39.108 37.337 1.771 1
1 585 . 18 1 1 A 52 52 ILE N N 52 128.547 125.918 2.629 1
1 586 . 18 1 1 A 53 53 ARG H H 53 9.169 8.601 0.568 1
1 587 . 18 1 1 A 53 53 ARG HA H 53 5.628 4.998 0.630 1
1 594 . 18 1 1 A 53 53 ARG C C 53 174.869 175.979 -1.110 1
1 595 . 18 1 1 A 53 53 ARG CA C 53 54.479 56.203 -1.724 1
1 596 . 18 1 1 A 53 53 ARG CB C 53 33.942 30.807 3.135 1
1 599 . 18 1 1 A 53 53 ARG N N 53 127.779 129.441 -1.662 1
1 600 . 18 1 1 A 54 54 TYR H H 54 8.671 8.629 0.042 1
1 601 . 18 1 1 A 54 54 TYR HA H 54 6.310 6.432 -0.122 1
1 608 . 18 1 1 A 54 54 TYR C C 54 173.965 173.672 0.293 1
1 609 . 18 1 1 A 54 54 TYR CA C 54 55.291 55.675 -0.384 1
1 610 . 18 1 1 A 54 54 TYR CB C 54 41.930 42.481 -0.551 1
1 615 . 18 1 1 A 54 54 TYR N N 54 117.929 122.880 -4.951 1
1 616 . 18 1 1 A 55 55 TRP H H 55 8.928 9.003 -0.075 1
1 617 . 18 1 1 A 55 55 TRP HA H 55 5.054 5.426 -0.372 1
1 626 . 18 1 1 A 55 55 TRP C C 55 172.613 174.362 -1.749 1
1 627 . 18 1 1 A 55 55 TRP CA C 55 56.577 56.228 0.349 1
1 628 . 18 1 1 A 55 55 TRP CB C 55 32.118 32.150 -0.032 1
1 634 . 18 1 1 A 55 55 TRP N N 55 121.459 118.736 2.723 1
1 636 . 18 1 1 A 56 56 ALA H H 56 8.870 7.806 1.064 1
1 637 . 18 1 1 A 56 56 ALA HA H 56 4.053 3.633 0.420 1
1 641 . 18 1 1 A 56 56 ALA C C 56 179.868 178.056 1.812 1
1 642 . 18 1 1 A 56 56 ALA CA C 56 50.478 51.901 -1.423 1
1 643 . 18 1 1 A 56 56 ALA CB C 56 19.108 18.621 0.487 1
1 644 . 18 1 1 A 56 56 ALA N N 56 124.214 123.011 1.203 1
1 645 . 18 1 1 A 57 57 ALA H H 57 8.147 8.237 -0.090 1
1 646 . 18 1 1 A 57 57 ALA HA H 57 3.913 4.007 -0.094 1
1 650 . 18 1 1 A 57 57 ALA C C 57 178.479 179.945 -1.466 1
1 651 . 18 1 1 A 57 57 ALA CA C 57 54.832 55.506 -0.674 1
1 652 . 18 1 1 A 57 57 ALA CB C 57 19.317 17.985 1.332 1
1 653 . 18 1 1 A 57 57 ALA N N 57 120.999 123.940 -2.941 1
1 654 . 18 1 1 A 58 58 HIS H H 58 7.274 7.408 -0.134 1
1 655 . 18 1 1 A 58 58 HIS HA H 58 4.605 4.404 0.201 1
1 660 . 18 1 1 A 58 58 HIS C C 58 175.349 175.493 -0.144 1
1 661 . 18 1 1 A 58 58 HIS CA C 58 56.066 58.272 -2.206 1
1 662 . 18 1 1 A 58 58 HIS CB C 58 29.780 28.984 0.796 1
1 665 . 18 1 1 A 58 58 HIS N N 58 109.961 114.425 -4.464 1
1 666 . 18 1 1 A 59 59 ASP H H 59 7.945 7.600 0.345 1
1 667 . 18 1 1 A 59 59 ASP HA H 59 4.869 4.709 0.160 1
1 670 . 18 1 1 A 59 59 ASP C C 59 175.895 176.024 -0.129 1
1 671 . 18 1 1 A 59 59 ASP CA C 59 53.898 55.079 -1.181 1
1 672 . 18 1 1 A 59 59 ASP CB C 59 42.385 41.579 0.806 1
1 673 . 18 1 1 A 59 59 ASP N N 59 123.825 121.535 2.290 1
1 674 . 18 1 1 A 60 60 LYS H H 60 8.147 8.771 -0.624 1
1 675 . 18 1 1 A 60 60 LYS HA H 60 4.197 4.624 -0.427 1
1 682 . 18 1 1 A 60 60 LYS C C 60 177.212 177.500 -0.288 1
1 683 . 18 1 1 A 60 60 LYS CA C 60 56.121 54.938 1.183 1
1 684 . 18 1 1 A 60 60 LYS CB C 60 32.951 34.304 -1.353 1
1 688 . 18 1 1 A 60 60 LYS N N 60 117.803 121.269 -3.466 1
1 689 . 18 1 1 A 61 61 GLU H H 61 8.381 8.901 -0.520 1
1 690 . 18 1 1 A 61 61 GLU HA H 61 2.603 3.409 -0.806 1
1 695 . 18 1 1 A 61 61 GLU C C 61 178.058 178.755 -0.697 1
1 696 . 18 1 1 A 61 61 GLU CA C 61 58.622 58.769 -0.147 1
1 697 . 18 1 1 A 61 61 GLU CB C 61 28.709 28.773 -0.064 1
1 699 . 18 1 1 A 61 61 GLU N N 61 122.310 120.915 1.395 1
1 700 . 18 1 1 A 62 62 GLU H H 62 8.470 8.490 -0.020 1
1 701 . 18 1 1 A 62 62 GLU HA H 62 3.919 3.989 -0.070 1
1 706 . 18 1 1 A 62 62 GLU C C 62 176.293 177.864 -1.571 1
1 707 . 18 1 1 A 62 62 GLU CA C 62 57.899 59.216 -1.317 1
1 708 . 18 1 1 A 62 62 GLU CB C 62 28.796 28.938 -0.142 1
1 710 . 18 1 1 A 62 62 GLU N N 62 117.600 118.722 -1.122 1
1 711 . 18 1 1 A 63 63 ALA H H 63 7.760 7.538 0.222 1
1 712 . 18 1 1 A 63 63 ALA HA H 63 4.443 4.311 0.132 1
1 716 . 18 1 1 A 63 63 ALA C C 63 176.867 177.487 -0.620 1
1 717 . 18 1 1 A 63 63 ALA CA C 63 51.095 52.107 -1.012 1
1 718 . 18 1 1 A 63 63 ALA CB C 63 18.845 18.888 -0.043 1
1 719 . 18 1 1 A 63 63 ALA N N 63 123.067 120.087 2.980 1
1 720 . 18 1 1 A 64 64 ALA H H 64 7.389 7.330 0.059 1
1 721 . 18 1 1 A 64 64 ALA HA H 64 4.175 4.328 -0.153 1
1 725 . 18 1 1 A 64 64 ALA C C 64 177.784 177.304 0.480 1
1 726 . 18 1 1 A 64 64 ALA CA C 64 53.099 51.359 1.740 1
1 727 . 18 1 1 A 64 64 ALA CB C 64 19.784 19.515 0.269 1
1 728 . 18 1 1 A 64 64 ALA N N 64 121.409 121.941 -0.532 1
1 729 . 18 1 1 A 65 65 ASN H H 65 8.152 8.044 0.108 1
1 730 . 18 1 1 A 65 65 ASN HA H 65 4.714 4.710 0.004 1
1 735 . 18 1 1 A 65 65 ASN C C 65 173.533 174.126 -0.593 1
1 736 . 18 1 1 A 65 65 ASN CA C 65 52.523 52.944 -0.421 1
1 737 . 18 1 1 A 65 65 ASN CB C 65 40.739 39.156 1.583 1
1 738 . 18 1 1 A 65 65 ASN N N 65 119.620 120.585 -0.965 1
1 740 . 18 1 1 A 66 66 ARG H H 66 8.366 8.758 -0.392 1
1 741 . 18 1 1 A 66 66 ARG HA H 66 5.760 5.285 0.475 1
1 748 . 18 1 1 A 66 66 ARG C C 66 175.946 174.004 1.942 1
1 749 . 18 1 1 A 66 66 ARG CA C 66 54.902 54.904 -0.002 1
1 750 . 18 1 1 A 66 66 ARG CB C 66 34.116 33.887 0.229 1
1 753 . 18 1 1 A 66 66 ARG N N 66 116.911 117.226 -0.315 1
1 754 . 18 1 1 A 67 67 VAL H H 67 9.057 8.740 0.317 1
1 755 . 18 1 1 A 67 67 VAL HA H 67 4.520 4.695 -0.175 1
1 763 . 18 1 1 A 67 67 VAL C C 67 173.731 174.238 -0.507 1
1 764 . 18 1 1 A 67 67 VAL CA C 67 60.845 61.517 -0.672 1
1 765 . 18 1 1 A 67 67 VAL CB C 67 35.917 33.366 2.551 1
1 768 . 18 1 1 A 67 67 VAL N N 67 122.047 123.912 -1.865 1
1 769 . 18 1 1 A 68 68 GLN H H 68 8.741 8.957 -0.216 1
1 770 . 18 1 1 A 68 68 GLN HA H 68 5.543 5.187 0.356 1
1 777 . 18 1 1 A 68 68 GLN C C 68 175.452 175.050 0.402 1
1 778 . 18 1 1 A 68 68 GLN CA C 68 54.462 54.559 -0.097 1
1 779 . 18 1 1 A 68 68 GLN CB C 68 32.087 31.259 0.828 1
1 781 . 18 1 1 A 68 68 GLN N N 68 124.250 127.829 -3.579 1
1 783 . 18 1 1 A 69 69 VAL H H 69 8.912 8.715 0.197 1
1 784 . 18 1 1 A 69 69 VAL HA H 69 5.012 5.004 0.008 1
1 792 . 18 1 1 A 69 69 VAL C C 69 175.870 175.216 0.654 1
1 793 . 18 1 1 A 69 69 VAL CA C 69 59.045 59.607 -0.562 1
1 794 . 18 1 1 A 69 69 VAL CB C 69 35.106 34.813 0.293 1
1 797 . 18 1 1 A 69 69 VAL N N 69 117.045 121.084 -4.039 1
1 798 . 18 1 1 A 70 70 THR H H 70 8.491 8.631 -0.140 1
1 799 . 18 1 1 A 70 70 THR HA H 70 4.585 4.411 0.174 1
1 804 . 18 1 1 A 70 70 THR C C 70 175.015 176.074 -1.059 1
1 805 . 18 1 1 A 70 70 THR CA C 70 62.917 62.021 0.896 1
1 806 . 18 1 1 A 70 70 THR CB C 70 70.767 70.016 0.751 1
1 808 . 18 1 1 A 70 70 THR N N 70 111.495 113.952 -2.457 1
1 809 . 18 1 1 A 71 71 SER H H 71 7.522 8.980 -1.458 1
1 810 . 18 1 1 A 71 71 SER HA H 71 4.148 4.429 -0.281 1
1 813 . 18 1 1 A 71 71 SER C C 71 174.340 176.939 -2.599 1
1 814 . 18 1 1 A 71 71 SER CA C 71 59.749 62.404 -2.655 1
1 815 . 18 1 1 A 71 71 SER CB C 71 63.060 62.840 0.220 1
1 816 . 18 1 1 A 71 71 SER N N 71 111.553 119.306 -7.753 1
1 817 . 18 1 1 A 72 72 GLN H H 72 7.718 8.139 -0.421 1
1 818 . 18 1 1 A 72 72 GLN HA H 72 4.428 4.261 0.167 1
1 823 . 18 1 1 A 72 72 GLN C C 72 176.456 176.963 -0.507 1
1 824 . 18 1 1 A 72 72 GLN CA C 72 56.630 58.067 -1.437 1
1 825 . 18 1 1 A 72 72 GLN CB C 72 29.373 28.523 0.850 1
1 827 . 18 1 1 A 72 72 GLN N N 72 117.502 118.666 -1.164 1
1 829 . 18 1 1 A 73 73 GLU H H 73 7.650 7.783 -0.133 1
1 830 . 18 1 1 A 73 73 GLU HA H 73 4.408 4.583 -0.175 1
1 835 . 18 1 1 A 73 73 GLU C C 73 176.484 175.980 0.504 1
1 836 . 18 1 1 A 73 73 GLU CA C 73 56.472 55.738 0.734 1
1 837 . 18 1 1 A 73 73 GLU CB C 73 31.962 29.874 2.088 1
1 839 . 18 1 1 A 73 73 GLU N N 73 119.175 119.994 -0.819 1
1 840 . 18 1 1 A 74 74 TYR H H 74 8.615 8.859 -0.244 1
1 841 . 18 1 1 A 74 74 TYR HA H 74 3.427 4.087 -0.660 1
1 848 . 18 1 1 A 74 74 TYR C C 74 171.853 174.977 -3.124 1
1 849 . 18 1 1 A 74 74 TYR CA C 74 56.565 59.927 -3.362 1
1 850 . 18 1 1 A 74 74 TYR CB C 74 39.410 37.865 1.545 1
1 855 . 18 1 1 A 74 74 TYR N N 74 118.997 124.411 -5.414 1
1 856 . 18 1 1 A 75 75 SER H H 75 6.801 7.780 -0.979 1
1 857 . 18 1 1 A 75 75 SER HA H 75 5.001 4.680 0.321 1
1 860 . 18 1 1 A 75 75 SER C C 75 172.976 172.132 0.844 1
1 861 . 18 1 1 A 75 75 SER CA C 75 56.154 56.620 -0.466 1
1 862 . 18 1 1 A 75 75 SER CB C 75 66.541 66.370 0.171 1
1 863 . 18 1 1 A 75 75 SER N N 75 109.803 111.427 -1.624 1
1 864 . 18 1 1 A 76 76 ALA H H 76 8.897 8.738 0.159 1
1 865 . 18 1 1 A 76 76 ALA HA H 76 4.604 5.341 -0.737 1
1 869 . 18 1 1 A 76 76 ALA C C 76 174.777 174.912 -0.135 1
1 870 . 18 1 1 A 76 76 ALA CA C 76 51.359 50.857 0.502 1
1 871 . 18 1 1 A 76 76 ALA CB C 76 23.140 24.146 -1.006 1
1 872 . 18 1 1 A 76 76 ALA N N 76 120.416 122.766 -2.350 1
1 873 . 18 1 1 A 77 77 ARG H H 77 8.529 8.713 -0.184 1
1 874 . 18 1 1 A 77 77 ARG HA H 77 4.681 5.057 -0.376 1
1 881 . 18 1 1 A 77 77 ARG C C 77 174.533 174.516 0.017 1
1 882 . 18 1 1 A 77 77 ARG CA C 77 54.973 54.377 0.596 1
1 883 . 18 1 1 A 77 77 ARG CB C 77 31.839 33.621 -1.782 1
1 886 . 18 1 1 A 77 77 ARG N N 77 121.172 121.258 -0.086 1
1 887 . 18 1 1 A 78 78 LEU H H 78 9.089 9.129 -0.040 1
1 888 . 18 1 1 A 78 78 LEU HA H 78 4.396 5.039 -0.643 1
1 898 . 18 1 1 A 78 78 LEU C C 78 175.107 175.673 -0.566 1
1 899 . 18 1 1 A 78 78 LEU CA C 78 53.333 53.214 0.119 1
1 900 . 18 1 1 A 78 78 LEU CB C 78 41.272 44.214 -2.942 1
1 904 . 18 1 1 A 78 78 LEU N N 78 126.698 127.499 -0.801 1
1 905 . 18 1 1 A 79 79 GLU H H 79 8.239 8.773 -0.534 1
1 906 . 18 1 1 A 79 79 GLU HA H 79 5.034 5.126 -0.092 1
1 911 . 18 1 1 A 79 79 GLU C C 79 174.792 175.599 -0.807 1
1 912 . 18 1 1 A 79 79 GLU CA C 79 54.056 54.670 -0.614 1
1 913 . 18 1 1 A 79 79 GLU CB C 79 33.692 33.167 0.525 1
1 915 . 18 1 1 A 79 79 GLU N N 79 119.147 122.521 -3.374 1
1 916 . 18 1 1 A 80 80 ASN H H 80 9.068 8.714 0.354 1
1 917 . 18 1 1 A 80 80 ASN HA H 80 4.303 4.302 0.001 1
1 922 . 18 1 1 A 80 80 ASN C C 80 174.823 173.902 0.921 1
1 923 . 18 1 1 A 80 80 ASN CA C 80 54.462 54.242 0.220 1
1 924 . 18 1 1 A 80 80 ASN CB C 80 37.359 37.053 0.306 1
1 925 . 18 1 1 A 80 80 ASN N N 80 113.324 116.475 -3.151 1
1 927 . 18 1 1 A 81 81 LEU H H 81 8.671 7.561 1.110 1
1 928 . 18 1 1 A 81 81 LEU HA H 81 4.252 4.663 -0.411 1
1 938 . 18 1 1 A 81 81 LEU C C 81 175.804 175.891 -0.087 1
1 939 . 18 1 1 A 81 81 LEU CA C 81 53.841 53.144 0.697 1
1 940 . 18 1 1 A 81 81 LEU CB C 81 40.891 43.702 -2.811 1
1 944 . 18 1 1 A 81 81 LEU N N 81 117.886 118.515 -0.629 1
1 945 . 18 1 1 A 82 82 LEU H H 82 8.448 8.866 -0.418 1
1 946 . 18 1 1 A 82 82 LEU HA H 82 4.600 4.767 -0.167 1
1 956 . 18 1 1 A 82 82 LEU C C 82 175.149 174.857 0.292 1
1 957 . 18 1 1 A 82 82 LEU CA C 82 52.629 52.748 -0.119 1
1 958 . 18 1 1 A 82 82 LEU CB C 82 42.449 41.325 1.124 1
1 962 . 18 1 1 A 82 82 LEU N N 82 121.118 122.404 -1.286 1
1 963 . 18 1 1 A 83 83 PRO HA H 83 5.237 4.486 0.751 1
1 970 . 18 1 1 A 83 83 PRO C C 83 178.145 177.358 0.787 1
1 971 . 18 1 1 A 83 83 PRO CA C 83 62.472 63.370 -0.898 1
1 972 . 18 1 1 A 83 83 PRO CB C 83 33.232 32.189 1.043 1
1 975 . 18 1 1 A 84 84 ASP H H 84 7.943 9.269 -1.326 1
1 976 . 18 1 1 A 84 84 ASP HA H 84 4.208 4.422 -0.214 1
1 979 . 18 1 1 A 84 84 ASP C C 84 174.476 174.743 -0.267 1
1 980 . 18 1 1 A 84 84 ASP CA C 84 54.250 55.027 -0.777 1
1 981 . 18 1 1 A 84 84 ASP CB C 84 41.568 39.528 2.040 1
1 982 . 18 1 1 A 84 84 ASP N N 84 126.496 121.629 4.867 1
1 983 . 18 1 1 A 85 85 THR H H 85 8.261 8.157 0.104 1
1 984 . 18 1 1 A 85 85 THR HA H 85 4.381 4.619 -0.238 1
1 989 . 18 1 1 A 85 85 THR C C 85 170.639 172.730 -2.091 1
1 990 . 18 1 1 A 85 85 THR CA C 85 62.951 60.988 1.963 1
1 991 . 18 1 1 A 85 85 THR CB C 85 72.217 71.719 0.498 1
1 993 . 18 1 1 A 85 85 THR N N 85 114.015 112.436 1.579 1
1 994 . 18 1 1 A 86 86 GLN H H 86 8.221 8.412 -0.191 1
1 995 . 18 1 1 A 86 86 GLN HA H 86 3.664 3.742 -0.078 1
1 1002 . 18 1 1 A 86 86 GLN C C 86 172.890 173.991 -1.101 1
1 1003 . 18 1 1 A 86 86 GLN CA C 86 54.585 55.221 -0.636 1
1 1004 . 18 1 1 A 86 86 GLN CB C 86 28.836 28.854 -0.018 1
1 1006 . 18 1 1 A 86 86 GLN N N 86 127.039 126.269 0.770 1
1 1008 . 18 1 1 A 87 87 TYR H H 87 8.976 8.459 0.517 1
1 1009 . 18 1 1 A 87 87 TYR HA H 87 4.583 4.639 -0.056 1
1 1016 . 18 1 1 A 87 87 TYR C C 87 173.534 174.604 -1.070 1
1 1017 . 18 1 1 A 87 87 TYR CA C 87 57.599 56.144 1.455 1
1 1018 . 18 1 1 A 87 87 TYR CB C 87 42.344 41.183 1.161 1
1 1023 . 18 1 1 A 87 87 TYR N N 87 126.060 125.522 0.538 1
1 1024 . 18 1 1 A 88 88 PHE H H 88 8.388 8.574 -0.186 1
1 1025 . 18 1 1 A 88 88 PHE HA H 88 4.902 4.638 0.264 1
1 1033 . 18 1 1 A 88 88 PHE C C 88 175.238 174.775 0.463 1
1 1034 . 18 1 1 A 88 88 PHE CA C 88 55.872 56.737 -0.865 1
1 1035 . 18 1 1 A 88 88 PHE CB C 88 40.284 37.444 2.840 1
1 1041 . 18 1 1 A 88 88 PHE N N 88 118.991 122.568 -3.577 1
1 1042 . 18 1 1 A 89 89 ILE H H 89 8.450 8.920 -0.470 1
1 1043 . 18 1 1 A 89 89 ILE HA H 89 4.913 5.139 -0.226 1
1 1053 . 18 1 1 A 89 89 ILE C C 89 174.770 175.280 -0.510 1
1 1054 . 18 1 1 A 89 89 ILE CA C 89 60.472 60.065 0.407 1
1 1055 . 18 1 1 A 89 89 ILE CB C 89 43.167 39.765 3.402 1
1 1059 . 18 1 1 A 89 89 ILE N N 89 118.943 125.268 -6.325 1
1 1060 . 18 1 1 A 90 90 GLU H H 90 9.071 8.699 0.372 1
1 1061 . 18 1 1 A 90 90 GLU HA H 90 4.558 4.911 -0.353 1
1 1066 . 18 1 1 A 90 90 GLU C C 90 173.981 174.370 -0.389 1
1 1067 . 18 1 1 A 90 90 GLU CA C 90 54.831 55.077 -0.246 1
1 1068 . 18 1 1 A 90 90 GLU CB C 90 35.052 33.517 1.535 1
1 1070 . 18 1 1 A 90 90 GLU N N 90 124.044 126.999 -2.955 1
1 1071 . 18 1 1 A 91 91 VAL H H 91 8.564 8.604 -0.040 1
1 1072 . 18 1 1 A 91 91 VAL HA H 91 4.968 4.865 0.103 1
1 1080 . 18 1 1 A 91 91 VAL C C 91 174.488 175.313 -0.825 1
1 1081 . 18 1 1 A 91 91 VAL CA C 91 60.525 60.616 -0.091 1
1 1082 . 18 1 1 A 91 91 VAL CB C 91 34.308 33.083 1.225 1
1 1085 . 18 1 1 A 91 91 VAL N N 91 121.165 127.767 -6.602 1
1 1086 . 18 1 1 A 92 92 GLY H H 92 8.941 8.370 0.571 1
1 1087 . 18 1 1 A 92 92 GLY HA2 H 92 4.571 4.342 0.229 1
1 1088 . 18 1 1 A 92 92 GLY HA3 H 92 3.581 4.356 -0.775 1
1 1089 . 18 1 1 A 92 92 GLY C C 92 171.577 171.839 -0.262 1
1 1090 . 18 1 1 A 92 92 GLY CA C 92 43.640 44.671 -1.031 1
1 1091 . 18 1 1 A 92 92 GLY N N 92 112.251 115.151 -2.900 1
1 1092 . 18 1 1 A 93 93 ALA H H 93 10.001 8.719 1.282 1
1 1093 . 18 1 1 A 93 93 ALA HA H 93 4.560 4.640 -0.080 1
1 1097 . 18 1 1 A 93 93 ALA C C 93 176.786 176.460 0.326 1
1 1098 . 18 1 1 A 93 93 ALA CA C 93 51.060 51.195 -0.135 1
1 1099 . 18 1 1 A 93 93 ALA CB C 93 21.088 20.304 0.784 1
1 1100 . 18 1 1 A 93 93 ALA N N 93 126.200 124.028 2.172 1
1 1101 . 18 1 1 A 94 94 CYS H H 94 8.739 8.766 -0.027 1
1 1102 . 18 1 1 A 94 94 CYS HA H 94 5.214 4.824 0.390 1
1 1105 . 18 1 1 A 94 94 CYS C C 94 174.087 173.251 0.836 1
1 1106 . 18 1 1 A 94 94 CYS CA C 94 57.088 57.964 -0.876 1
1 1107 . 18 1 1 A 94 94 CYS CB C 94 31.345 31.230 0.115 1
1 1108 . 18 1 1 A 94 94 CYS N N 94 118.064 121.285 -3.221 1
1 1109 . 18 1 1 A 95 95 ASN H H 95 8.968 7.883 1.085 1
1 1110 . 18 1 1 A 95 95 ASN HA H 95 4.593 5.038 -0.445 1
1 1115 . 18 1 1 A 95 95 ASN C C 95 176.009 177.109 -1.100 1
1 1116 . 18 1 1 A 95 95 ASN CA C 95 52.981 51.061 1.920 1
1 1117 . 18 1 1 A 95 95 ASN CB C 95 39.336 40.511 -1.175 1
1 1118 . 18 1 1 A 95 95 ASN N N 95 121.604 124.515 -2.911 1
1 1120 . 18 1 1 A 96 96 SER H H 96 8.483 8.845 -0.362 1
1 1121 . 18 1 1 A 96 96 SER HA H 96 4.085 4.138 -0.053 1
1 1124 . 18 1 1 A 96 96 SER C C 96 174.700 176.131 -1.431 1
1 1125 . 18 1 1 A 96 96 SER CA C 96 61.600 61.084 0.516 1
1 1126 . 18 1 1 A 96 96 SER CB C 96 62.794 62.980 -0.186 1
1 1127 . 18 1 1 A 96 96 SER N N 96 113.664 114.883 -1.219 1
1 1128 . 18 1 1 A 97 97 ALA H H 97 8.187 7.509 0.678 1
1 1129 . 18 1 1 A 97 97 ALA HA H 97 4.357 4.243 0.114 1
1 1133 . 18 1 1 A 97 97 ALA C C 97 177.600 176.633 0.967 1
1 1134 . 18 1 1 A 97 97 ALA CA C 97 52.681 54.950 -2.269 1
1 1135 . 18 1 1 A 97 97 ALA CB C 97 19.192 19.377 -0.185 1
1 1136 . 18 1 1 A 97 97 ALA N N 97 123.374 122.924 0.450 1
1 1137 . 18 1 1 A 98 98 GLY H H 98 7.800 7.861 -0.061 1
1 1138 . 18 1 1 A 98 98 GLY HA2 H 98 4.444 4.179 0.265 1
1 1139 . 18 1 1 A 98 98 GLY HA3 H 98 3.840 4.179 -0.339 1
1 1140 . 18 1 1 A 98 98 GLY C C 98 171.071 172.203 -1.132 1
1 1141 . 18 1 1 A 98 98 GLY CA C 98 44.809 44.105 0.704 1
1 1142 . 18 1 1 A 98 98 GLY N N 98 106.029 104.002 2.027 1
1 1143 . 18 1 1 A 99 99 CYS H H 99 8.399 8.625 -0.226 1
1 1144 . 18 1 1 A 99 99 CYS HA H 99 4.891 4.616 0.275 1
1 1147 . 18 1 1 A 99 99 CYS C C 99 175.557 175.013 0.544 1
1 1148 . 18 1 1 A 99 99 CYS CA C 99 57.670 58.753 -1.083 1
1 1149 . 18 1 1 A 99 99 CYS CB C 99 29.469 28.256 1.213 1
1 1150 . 18 1 1 A 99 99 CYS N N 99 117.855 119.553 -1.698 1
1 1151 . 18 1 1 A 100 100 GLY H H 100 8.930 8.599 0.331 1
1 1152 . 18 1 1 A 100 100 GLY HA2 H 100 4.282 4.303 -0.021 1
1 1153 . 18 1 1 A 100 100 GLY HA3 H 100 3.764 4.311 -0.547 1
1 1154 . 18 1 1 A 100 100 GLY C C 100 170.974 171.925 -0.951 1
1 1155 . 18 1 1 A 100 100 GLY CA C 100 45.578 44.013 1.565 1
1 1156 . 18 1 1 A 100 100 GLY N N 100 113.025 112.438 0.587 1
1 1157 . 18 1 1 A 101 101 PRO HA H 101 4.616 4.595 0.021 1
1 1164 . 18 1 1 A 101 101 PRO CA C 101 60.598 62.194 -1.596 1
1 1165 . 18 1 1 A 101 101 PRO CB C 101 30.874 32.301 -1.427 1
1 1168 . 18 1 1 A 102 102 PRO HA H 102 4.659 4.538 0.121 1
1 1175 . 18 1 1 A 102 102 PRO C C 102 178.078 176.504 1.574 1
1 1176 . 18 1 1 A 102 102 PRO CA C 102 62.111 62.291 -0.180 1
1 1177 . 18 1 1 A 102 102 PRO CB C 102 32.383 32.261 0.122 1
1 1180 . 18 1 1 A 103 103 SER H H 103 8.732 8.748 -0.016 1
1 1181 . 18 1 1 A 103 103 SER HA H 103 4.222 4.641 -0.419 1
1 1184 . 18 1 1 A 103 103 SER C C 103 173.155 173.928 -0.773 1
1 1185 . 18 1 1 A 103 103 SER CA C 103 58.321 57.509 0.812 1
1 1186 . 18 1 1 A 103 103 SER CB C 103 65.815 65.488 0.327 1
1 1187 . 18 1 1 A 103 103 SER N N 103 113.387 115.060 -1.673 1
1 1188 . 18 1 1 A 104 104 ASP H H 104 8.248 8.733 -0.485 1
1 1189 . 18 1 1 A 104 104 ASP HA H 104 4.472 4.624 -0.152 1
1 1192 . 18 1 1 A 104 104 ASP C C 104 176.703 176.410 0.293 1
1 1193 . 18 1 1 A 104 104 ASP CA C 104 55.573 54.610 0.963 1
1 1194 . 18 1 1 A 104 104 ASP CB C 104 40.583 41.317 -0.734 1
1 1195 . 18 1 1 A 104 104 ASP N N 104 119.021 120.806 -1.785 1
1 1196 . 18 1 1 A 105 105 MET H H 105 8.460 8.454 0.006 1
1 1197 . 18 1 1 A 105 105 MET HA H 105 4.542 4.424 0.118 1
1 1205 . 18 1 1 A 105 105 MET C C 105 175.687 175.030 0.657 1
1 1206 . 18 1 1 A 105 105 MET CA C 105 56.348 56.340 0.008 1
1 1207 . 18 1 1 A 105 105 MET CB C 105 33.610 33.042 0.568 1
1 1210 . 18 1 1 A 105 105 MET N N 105 124.915 123.474 1.441 1
1 1211 . 18 1 1 A 106 106 ILE H H 106 8.914 8.795 0.119 1
1 1212 . 18 1 1 A 106 106 ILE HA H 106 4.571 4.999 -0.428 1
1 1222 . 18 1 1 A 106 106 ILE C C 106 173.498 175.842 -2.344 1
1 1223 . 18 1 1 A 106 106 ILE CA C 106 59.185 59.799 -0.614 1
1 1224 . 18 1 1 A 106 106 ILE CB C 106 40.786 40.175 0.611 1
1 1228 . 18 1 1 A 106 106 ILE N N 106 126.141 127.699 -1.558 1
1 1229 . 18 1 1 A 107 107 GLU H H 107 7.999 9.076 -1.077 1
1 1230 . 18 1 1 A 107 107 GLU HA H 107 5.373 5.043 0.330 1
1 1235 . 18 1 1 A 107 107 GLU C C 107 175.263 175.323 -0.060 1
1 1236 . 18 1 1 A 107 107 GLU CA C 107 53.343 54.782 -1.439 1
1 1237 . 18 1 1 A 107 107 GLU CB C 107 32.951 32.759 0.192 1
1 1239 . 18 1 1 A 107 107 GLU N N 107 121.346 123.774 -2.428 1
1 1240 . 18 1 1 A 108 108 ALA H H 108 8.685 8.984 -0.299 1
1 1241 . 18 1 1 A 108 108 ALA HA H 108 4.549 5.643 -1.094 1
1 1245 . 18 1 1 A 108 108 ALA C C 108 174.431 175.723 -1.292 1
1 1246 . 18 1 1 A 108 108 ALA CA C 108 51.113 50.011 1.102 1
1 1247 . 18 1 1 A 108 108 ALA CB C 108 23.724 23.026 0.698 1
1 1248 . 18 1 1 A 108 108 ALA N N 108 123.009 124.845 -1.836 1
1 1249 . 18 1 1 A 109 109 PHE H H 109 8.519 9.163 -0.644 1
1 1250 . 18 1 1 A 109 109 PHE HA H 109 5.481 5.064 0.417 1
1 1258 . 18 1 1 A 109 109 PHE C C 109 177.604 175.855 1.749 1
1 1259 . 18 1 1 A 109 109 PHE CA C 109 55.854 56.525 -0.671 1
1 1260 . 18 1 1 A 109 109 PHE CB C 109 41.019 40.792 0.227 1
1 1266 . 18 1 1 A 109 109 PHE N N 109 119.997 118.107 1.890 1
1 1267 . 18 1 1 A 110 110 THR H H 110 8.839 8.399 0.440 1
1 1268 . 18 1 1 A 110 110 THR HA H 110 4.103 4.527 -0.424 1
1 1273 . 18 1 1 A 110 110 THR C C 110 175.354 174.041 1.313 1
1 1274 . 18 1 1 A 110 110 THR CA C 110 61.763 61.759 0.004 1
1 1275 . 18 1 1 A 110 110 THR CB C 110 69.356 71.118 -1.762 1
1 1277 . 18 1 1 A 110 110 THR N N 110 112.067 116.922 -4.855 1
1 1278 . 18 1 1 A 111 111 LYS H H 111 6.542 8.327 -1.785 1
1 1279 . 18 1 1 A 111 111 LYS HA H 111 4.208 4.789 -0.581 1
1 1288 . 18 1 1 A 111 111 LYS C C 111 176.693 176.523 0.170 1
1 1289 . 18 1 1 A 111 111 LYS CA C 111 56.383 54.200 2.183 1
1 1290 . 18 1 1 A 111 111 LYS CB C 111 33.447 35.128 -1.681 1
1 1294 . 18 1 1 A 111 111 LYS N N 111 116.497 120.063 -3.566 1
1 1295 . 18 1 1 A 112 112 LYS H H 112 8.230 8.356 -0.126 1
1 1296 . 18 1 1 A 112 112 LYS HA H 112 4.143 4.361 -0.218 1
1 1304 . 18 1 1 A 112 112 LYS C C 112 176.823 176.810 0.013 1
1 1305 . 18 1 1 A 112 112 LYS CA C 112 57.229 56.861 0.368 1
1 1306 . 18 1 1 A 112 112 LYS CB C 112 33.528 32.661 0.867 1
1 1310 . 18 1 1 A 112 112 LYS N N 112 118.783 121.657 -2.874 1
1 1311 . 18 1 1 A 113 113 ALA H H 113 8.762 8.660 0.102 1
1 1312 . 18 1 1 A 113 113 ALA HA H 113 4.338 4.220 0.118 1
1 1316 . 18 1 1 A 113 113 ALA C C 113 177.688 177.877 -0.189 1
1 1317 . 18 1 1 A 113 113 ALA CA C 113 52.417 52.561 -0.144 1
1 1318 . 18 1 1 A 113 113 ALA CB C 113 19.272 19.012 0.260 1
1 1319 . 18 1 1 A 113 113 ALA N N 113 124.432 126.178 -1.746 1
1 1320 . 18 1 1 A 114 114 SER H H 114 8.386 8.679 -0.293 1
1 1321 . 18 1 1 A 114 114 SER HA H 114 4.487 3.957 0.530 1
1 1324 . 18 1 1 A 114 114 SER C C 114 174.474 173.885 0.589 1
1 1325 . 18 1 1 A 114 114 SER CA C 114 58.063 59.130 -1.067 1
1 1326 . 18 1 1 A 114 114 SER CB C 114 64.012 61.949 2.063 1
1 1327 . 18 1 1 A 114 114 SER N N 114 115.798 113.875 1.923 1
1 1328 . 18 1 1 A 115 115 GLY H H 115 8.278 8.044 0.234 1
1 1329 . 18 1 1 A 115 115 GLY HA2 H 115 4.172 4.080 0.092 1
1 1330 . 18 1 1 A 115 115 GLY HA3 H 115 4.094 4.080 0.014 1
1 1331 . 18 1 1 A 115 115 GLY C C 115 171.799 174.465 -2.666 1
1 1332 . 18 1 1 A 115 115 GLY CA C 115 44.662 44.619 0.043 1
1 1333 . 18 1 1 A 115 115 GLY N N 115 110.600 108.186 2.414 1
1 1334 . 18 1 1 A 116 116 PRO HA H 116 4.472 4.543 -0.071 1
1 1341 . 18 1 1 A 116 116 PRO C C 116 177.440 176.744 0.696 1
1 1342 . 18 1 1 A 116 116 PRO CA C 116 63.275 63.674 -0.399 1
1 1343 . 18 1 1 A 116 116 PRO CB C 116 32.169 32.013 0.156 1
1 1346 . 18 1 1 A 117 117 SER HA H 117 4.505 4.279 0.226 1
1 1348 . 18 1 1 A 117 117 SER C C 117 174.652 173.596 1.056 1
1 1349 . 18 1 1 A 117 117 SER CA C 117 58.393 59.117 -0.724 1
1 1350 . 18 1 1 A 117 117 SER CB C 117 63.899 63.268 0.631 1
1 1351 . 18 1 1 A 117 117 SER N N 117 116.140 115.684 0.456 1
1 1352 . 18 1 1 A 118 118 SER H H 118 8.314 8.817 -0.503 1
1 1353 . 18 1 1 A 118 118 SER HA H 118 4.494 4.996 -0.502 1
1 1355 . 18 1 1 A 118 118 SER C C 118 173.938 173.734 0.204 1
1 1356 . 18 1 1 A 118 118 SER CA C 118 58.428 57.381 1.047 1
1 1357 . 18 1 1 A 118 118 SER CB C 118 63.929 64.519 -0.590 1
1 1358 . 18 1 1 A 118 118 SER N N 118 117.760 123.984 -6.224 1
1 6 . 19 1 1 A 4 4 GLY H H 4 8.507 8.217 0.290 1
1 7 . 19 1 1 A 4 4 GLY HA2 H 4 4.513 3.973 0.540 1
1 8 . 19 1 1 A 4 4 GLY HA3 H 4 3.859 3.974 -0.115 1
1 9 . 19 1 1 A 4 4 GLY CA C 4 44.199 45.321 -1.122 1
1 10 . 19 1 1 A 4 4 GLY N N 4 116.148 114.625 1.523 1
1 11 . 19 1 1 A 6 6 SER HA H 6 4.472 4.249 0.223 1
1 13 . 19 1 1 A 6 6 SER C C 6 174.998 174.501 0.497 1
1 14 . 19 1 1 A 6 6 SER CA C 6 58.657 61.008 -2.351 1
1 15 . 19 1 1 A 6 6 SER CB C 6 64.025 63.832 0.193 1
1 16 . 19 1 1 A 7 7 GLY H H 7 8.399 7.624 0.775 1
1 17 . 19 1 1 A 7 7 GLY HA2 H 7 3.963 4.007 -0.044 1
1 18 . 19 1 1 A 7 7 GLY HA3 H 7 3.963 4.007 -0.044 1
1 19 . 19 1 1 A 7 7 GLY C C 7 173.942 173.621 0.321 1
1 20 . 19 1 1 A 7 7 GLY CA C 7 45.332 45.560 -0.228 1
1 21 . 19 1 1 A 7 7 GLY N N 7 110.856 106.194 4.662 1
1 22 . 19 1 1 A 8 8 VAL H H 8 7.919 8.269 -0.350 1
1 23 . 19 1 1 A 8 8 VAL HA H 8 4.101 4.203 -0.102 1
1 31 . 19 1 1 A 8 8 VAL C C 8 175.827 176.462 -0.635 1
1 32 . 19 1 1 A 8 8 VAL CA C 8 61.987 62.044 -0.057 1
1 33 . 19 1 1 A 8 8 VAL CB C 8 32.786 33.356 -0.570 1
1 36 . 19 1 1 A 8 8 VAL N N 8 119.305 116.907 2.398 1
1 37 . 19 1 1 A 9 9 ALA H H 9 8.367 7.526 0.841 1
1 38 . 19 1 1 A 9 9 ALA HA H 9 4.329 4.247 0.082 1
1 42 . 19 1 1 A 9 9 ALA C C 9 177.422 177.708 -0.286 1
1 43 . 19 1 1 A 9 9 ALA CA C 9 52.399 52.739 -0.340 1
1 44 . 19 1 1 A 9 9 ALA CB C 9 19.317 19.377 -0.060 1
1 45 . 19 1 1 A 9 9 ALA N N 9 128.175 125.768 2.407 1
1 46 . 19 1 1 A 10 10 VAL H H 10 8.154 8.618 -0.464 1
1 47 . 19 1 1 A 10 10 VAL HA H 10 4.046 4.723 -0.677 1
1 55 . 19 1 1 A 10 10 VAL C C 10 176.076 175.854 0.222 1
1 56 . 19 1 1 A 10 10 VAL CA C 10 62.288 58.850 3.438 1
1 57 . 19 1 1 A 10 10 VAL CB C 10 32.786 35.192 -2.406 1
1 60 . 19 1 1 A 10 10 VAL N N 10 120.641 115.977 4.664 1
1 61 . 19 1 1 A 11 11 ILE H H 11 8.261 8.469 -0.208 1
1 62 . 19 1 1 A 11 11 ILE HA H 11 4.148 3.930 0.218 1
1 72 . 19 1 1 A 11 11 ILE C C 11 175.857 175.770 0.087 1
1 73 . 19 1 1 A 11 11 ILE CA C 11 60.842 62.602 -1.760 1
1 74 . 19 1 1 A 11 11 ILE CB C 11 38.776 37.316 1.460 1
1 78 . 19 1 1 A 11 11 ILE N N 11 125.253 123.200 2.053 1
1 79 . 19 1 1 A 12 12 ASN H H 12 8.575 8.830 -0.255 1
1 80 . 19 1 1 A 12 12 ASN HA H 12 4.737 5.518 -0.781 1
1 85 . 19 1 1 A 12 12 ASN C C 12 175.004 173.885 1.119 1
1 86 . 19 1 1 A 12 12 ASN CA C 12 53.087 52.001 1.086 1
1 87 . 19 1 1 A 12 12 ASN CB C 12 39.076 39.121 -0.045 1
1 88 . 19 1 1 A 12 12 ASN N N 12 123.538 125.285 -1.747 1
1 90 . 19 1 1 A 13 13 SER H H 13 8.317 8.380 -0.063 1
1 91 . 19 1 1 A 13 13 SER HA H 13 4.373 5.129 -0.756 1
1 94 . 19 1 1 A 13 13 SER C C 13 174.118 172.666 1.452 1
1 95 . 19 1 1 A 13 13 SER CA C 13 58.375 57.457 0.918 1
1 96 . 19 1 1 A 13 13 SER CB C 13 63.866 66.008 -2.142 1
1 97 . 19 1 1 A 13 13 SER N N 13 116.982 119.359 -2.377 1
1 98 . 19 1 1 A 14 14 ALA H H 14 8.317 8.348 -0.031 1
1 99 . 19 1 1 A 14 14 ALA HA H 14 4.285 4.694 -0.409 1
1 103 . 19 1 1 A 14 14 ALA C C 14 177.298 177.313 -0.015 1
1 104 . 19 1 1 A 14 14 ALA CA C 14 52.628 51.089 1.539 1
1 105 . 19 1 1 A 14 14 ALA CB C 14 19.192 22.499 -3.307 1
1 106 . 19 1 1 A 14 14 ALA N N 14 125.606 125.130 0.476 1
1 107 . 19 1 1 A 15 15 GLN H H 15 8.221 8.808 -0.587 1
1 108 . 19 1 1 A 15 15 GLN HA H 15 4.237 4.176 0.061 1
1 115 . 19 1 1 A 15 15 GLN C C 15 174.741 175.209 -0.468 1
1 116 . 19 1 1 A 15 15 GLN CA C 15 55.925 58.074 -2.149 1
1 117 . 19 1 1 A 15 15 GLN CB C 15 29.990 28.643 1.347 1
1 119 . 19 1 1 A 15 15 GLN N N 15 119.248 118.772 0.476 1
1 121 . 19 1 1 A 16 16 ASP H H 16 7.898 7.631 0.267 1
1 122 . 19 1 1 A 16 16 ASP HA H 16 4.714 4.986 -0.272 1
1 125 . 19 1 1 A 16 16 ASP C C 16 175.219 173.890 1.329 1
1 126 . 19 1 1 A 16 16 ASP CA C 16 53.387 53.801 -0.414 1
1 127 . 19 1 1 A 16 16 ASP CB C 16 42.771 43.960 -1.189 1
1 128 . 19 1 1 A 16 16 ASP N N 16 119.674 118.168 1.506 1
1 129 . 19 1 1 A 17 17 ALA H H 17 8.256 8.286 -0.030 1
1 130 . 19 1 1 A 17 17 ALA HA H 17 4.549 4.825 -0.276 1
1 134 . 19 1 1 A 17 17 ALA C C 17 174.226 174.086 0.140 1
1 135 . 19 1 1 A 17 17 ALA CA C 17 50.514 49.950 0.564 1
1 136 . 19 1 1 A 17 17 ALA CB C 17 16.689 22.424 -5.735 1
1 137 . 19 1 1 A 17 17 ALA N N 17 123.830 122.945 0.885 1
1 138 . 19 1 1 A 18 18 PRO HA H 18 4.247 4.767 -0.520 1
1 145 . 19 1 1 A 18 18 PRO CA C 18 63.135 62.723 0.412 1
1 146 . 19 1 1 A 18 18 PRO CB C 18 31.866 31.839 0.027 1
1 149 . 19 1 1 A 19 19 SER HA H 19 4.524 4.597 -0.073 1
1 152 . 19 1 1 A 19 19 SER C C 19 173.934 174.084 -0.150 1
1 153 . 19 1 1 A 19 19 SER CA C 19 58.657 58.325 0.332 1
1 154 . 19 1 1 A 19 19 SER CB C 19 65.246 64.460 0.786 1
1 155 . 19 1 1 A 20 20 GLU H H 20 7.589 7.731 -0.142 1
1 156 . 19 1 1 A 20 20 GLU HA H 20 4.604 4.816 -0.212 1
1 161 . 19 1 1 A 20 20 GLU C C 20 175.082 175.248 -0.166 1
1 162 . 19 1 1 A 20 20 GLU CA C 20 54.762 55.705 -0.943 1
1 163 . 19 1 1 A 20 20 GLU CB C 20 33.405 31.545 1.860 1
1 165 . 19 1 1 A 20 20 GLU N N 20 121.739 122.173 -0.434 1
1 166 . 19 1 1 A 21 21 ALA H H 21 8.564 8.846 -0.282 1
1 167 . 19 1 1 A 21 21 ALA HA H 21 4.995 4.942 0.053 1
1 171 . 19 1 1 A 21 21 ALA C C 21 175.731 175.624 0.107 1
1 172 . 19 1 1 A 21 21 ALA CA C 21 49.341 49.790 -0.449 1
1 173 . 19 1 1 A 21 21 ALA CB C 21 19.388 20.249 -0.861 1
1 174 . 19 1 1 A 21 21 ALA N N 21 125.054 128.888 -3.834 1
1 175 . 19 1 1 A 22 22 PRO HA H 22 4.529 4.918 -0.389 1
1 182 . 19 1 1 A 22 22 PRO C C 22 174.830 177.148 -2.318 1
1 183 . 19 1 1 A 22 22 PRO CA C 22 63.076 62.710 0.366 1
1 184 . 19 1 1 A 22 22 PRO CB C 22 32.294 31.717 0.577 1
1 187 . 19 1 1 A 23 23 THR H H 23 7.442 8.511 -1.069 1
1 188 . 19 1 1 A 23 23 THR HA H 23 4.663 4.502 0.161 1
1 193 . 19 1 1 A 23 23 THR C C 23 172.878 175.521 -2.643 1
1 194 . 19 1 1 A 23 23 THR CA C 23 59.961 61.825 -1.864 1
1 195 . 19 1 1 A 23 23 THR CB C 23 72.337 69.636 2.701 1
1 197 . 19 1 1 A 23 23 THR N N 23 109.039 117.489 -8.450 1
1 198 . 19 1 1 A 24 24 GLU H H 24 8.782 8.948 -0.166 1
1 199 . 19 1 1 A 24 24 GLU HA H 24 3.911 4.121 -0.210 1
1 204 . 19 1 1 A 24 24 GLU C C 24 175.816 176.167 -0.351 1
1 205 . 19 1 1 A 24 24 GLU CA C 24 56.172 57.295 -1.123 1
1 206 . 19 1 1 A 24 24 GLU CB C 24 27.761 27.532 0.229 1
1 208 . 19 1 1 A 24 24 GLU N N 24 115.227 123.994 -8.767 1
1 209 . 19 1 1 A 25 25 VAL H H 25 8.030 7.974 0.056 1
1 210 . 19 1 1 A 25 25 VAL HA H 25 4.891 4.713 0.178 1
1 218 . 19 1 1 A 25 25 VAL C C 25 177.065 174.853 2.212 1
1 219 . 19 1 1 A 25 25 VAL CA C 25 62.446 61.447 0.999 1
1 220 . 19 1 1 A 25 25 VAL CB C 25 31.471 33.280 -1.809 1
1 223 . 19 1 1 A 25 25 VAL N N 25 119.529 121.613 -2.084 1
1 224 . 19 1 1 A 26 26 GLY H H 26 8.796 8.707 0.089 1
1 225 . 19 1 1 A 26 26 GLY HA2 H 26 4.420 4.419 0.001 1
1 226 . 19 1 1 A 26 26 GLY HA3 H 26 3.646 4.423 -0.777 1
1 227 . 19 1 1 A 26 26 GLY C C 26 170.874 173.187 -2.313 1
1 228 . 19 1 1 A 26 26 GLY CA C 26 44.468 44.357 0.111 1
1 229 . 19 1 1 A 26 26 GLY N N 26 114.560 115.617 -1.057 1
1 230 . 19 1 1 A 27 27 VAL H H 27 8.332 8.806 -0.474 1
1 231 . 19 1 1 A 27 27 VAL HA H 27 5.508 5.137 0.371 1
1 239 . 19 1 1 A 27 27 VAL C C 27 175.652 173.826 1.826 1
1 240 . 19 1 1 A 27 27 VAL CA C 27 58.279 59.739 -1.460 1
1 241 . 19 1 1 A 27 27 VAL CB C 27 36.230 35.138 1.092 1
1 244 . 19 1 1 A 27 27 VAL N N 27 110.792 115.867 -5.075 1
1 245 . 19 1 1 A 28 28 LYS H H 28 9.143 9.428 -0.285 1
1 246 . 19 1 1 A 28 28 LYS HA H 28 4.550 5.094 -0.544 1
1 254 . 19 1 1 A 28 28 LYS C C 28 175.150 175.710 -0.560 1
1 255 . 19 1 1 A 28 28 LYS CA C 28 55.396 54.887 0.509 1
1 256 . 19 1 1 A 28 28 LYS CB C 28 35.134 35.035 0.099 1
1 260 . 19 1 1 A 28 28 LYS N N 28 123.314 125.548 -2.234 1
1 261 . 19 1 1 A 29 29 VAL H H 29 9.190 8.999 0.191 1
1 262 . 19 1 1 A 29 29 VAL HA H 29 3.939 4.003 -0.064 1
1 270 . 19 1 1 A 29 29 VAL C C 29 176.162 175.452 0.710 1
1 271 . 19 1 1 A 29 29 VAL CA C 29 64.332 63.436 0.896 1
1 272 . 19 1 1 A 29 29 VAL CB C 29 31.417 31.748 -0.331 1
1 275 . 19 1 1 A 29 29 VAL N N 29 127.176 127.226 -0.050 1
1 276 . 19 1 1 A 30 30 LEU H H 30 8.108 8.747 -0.639 1
1 277 . 19 1 1 A 30 30 LEU HA H 30 4.375 4.365 0.010 1
1 287 . 19 1 1 A 30 30 LEU C C 30 177.477 176.605 0.872 1
1 288 . 19 1 1 A 30 30 LEU CA C 30 55.886 56.104 -0.218 1
1 289 . 19 1 1 A 30 30 LEU CB C 30 42.498 42.413 0.085 1
1 293 . 19 1 1 A 30 30 LEU N N 30 128.053 129.118 -1.065 1
1 294 . 19 1 1 A 31 31 SER H H 31 8.152 7.733 0.419 1
1 295 . 19 1 1 A 31 31 SER HA H 31 4.748 4.718 0.030 1
1 298 . 19 1 1 A 31 31 SER C C 31 173.427 174.361 -0.934 1
1 299 . 19 1 1 A 31 31 SER CA C 31 57.811 56.559 1.252 1
1 300 . 19 1 1 A 31 31 SER CB C 31 64.517 65.502 -0.985 1
1 301 . 19 1 1 A 31 31 SER N N 31 112.798 110.470 2.328 1
1 302 . 19 1 1 A 32 32 SER H H 32 8.450 8.753 -0.303 1
1 303 . 19 1 1 A 32 32 SER HA H 32 4.604 4.173 0.431 1
1 306 . 19 1 1 A 32 32 SER C C 32 172.423 174.828 -2.405 1
1 307 . 19 1 1 A 32 32 SER CA C 32 59.414 61.358 -1.944 1
1 308 . 19 1 1 A 32 32 SER CB C 32 63.903 62.420 1.483 1
1 309 . 19 1 1 A 32 32 SER N N 32 112.687 118.901 -6.214 1
1 310 . 19 1 1 A 33 33 SER H H 33 8.355 7.854 0.501 1
1 311 . 19 1 1 A 33 33 SER HA H 33 4.759 4.617 0.142 1
1 314 . 19 1 1 A 33 33 SER C C 33 173.940 173.464 0.476 1
1 315 . 19 1 1 A 33 33 SER CA C 33 57.229 57.189 0.040 1
1 316 . 19 1 1 A 33 33 SER CB C 33 66.786 63.762 3.024 1
1 317 . 19 1 1 A 33 33 SER N N 33 109.767 111.438 -1.671 1
1 318 . 19 1 1 A 34 34 GLU H H 34 6.978 7.838 -0.860 1
1 319 . 19 1 1 A 34 34 GLU HA H 34 5.487 5.143 0.344 1
1 324 . 19 1 1 A 34 34 GLU C C 34 175.294 174.718 0.576 1
1 325 . 19 1 1 A 34 34 GLU CA C 34 55.130 54.883 0.247 1
1 326 . 19 1 1 A 34 34 GLU CB C 34 35.711 33.835 1.876 1
1 328 . 19 1 1 A 34 34 GLU N N 34 119.009 120.333 -1.324 1
1 329 . 19 1 1 A 35 35 ILE H H 35 8.190 8.448 -0.258 1
1 330 . 19 1 1 A 35 35 ILE HA H 35 4.477 4.732 -0.255 1
1 340 . 19 1 1 A 35 35 ILE C C 35 173.681 174.390 -0.709 1
1 341 . 19 1 1 A 35 35 ILE CA C 35 60.203 60.219 -0.016 1
1 342 . 19 1 1 A 35 35 ILE CB C 35 43.791 41.908 1.883 1
1 346 . 19 1 1 A 35 35 ILE N N 35 120.691 122.813 -2.122 1
1 347 . 19 1 1 A 36 36 SER H H 36 9.269 9.062 0.207 1
1 348 . 19 1 1 A 36 36 SER HA H 36 5.300 5.180 0.120 1
1 351 . 19 1 1 A 36 36 SER C C 36 172.945 173.247 -0.302 1
1 352 . 19 1 1 A 36 36 SER CA C 36 56.549 57.650 -1.101 1
1 353 . 19 1 1 A 36 36 SER CB C 36 64.591 65.074 -0.483 1
1 354 . 19 1 1 A 36 36 SER N N 36 120.471 125.035 -4.564 1
1 355 . 19 1 1 A 37 37 VAL H H 37 9.000 8.890 0.110 1
1 356 . 19 1 1 A 37 37 VAL HA H 37 4.902 4.558 0.344 1
1 364 . 19 1 1 A 37 37 VAL C C 37 173.530 175.097 -1.567 1
1 365 . 19 1 1 A 37 37 VAL CA C 37 60.261 61.460 -1.199 1
1 366 . 19 1 1 A 37 37 VAL CB C 37 35.001 33.112 1.889 1
1 369 . 19 1 1 A 37 37 VAL N N 37 127.009 126.023 0.986 1
1 370 . 19 1 1 A 38 38 HIS H H 38 8.779 8.930 -0.151 1
1 371 . 19 1 1 A 38 38 HIS HA H 38 5.238 5.081 0.157 1
1 376 . 19 1 1 A 38 38 HIS C C 38 173.545 175.000 -1.455 1
1 377 . 19 1 1 A 38 38 HIS CA C 38 54.991 53.774 1.217 1
1 378 . 19 1 1 A 38 38 HIS CB C 38 32.564 31.748 0.816 1
1 381 . 19 1 1 A 38 38 HIS N N 38 123.115 125.298 -2.183 1
1 382 . 19 1 1 A 39 39 TRP H H 39 7.682 8.553 -0.871 1
1 383 . 19 1 1 A 39 39 TRP HA H 39 5.044 5.354 -0.310 1
1 392 . 19 1 1 A 39 39 TRP C C 39 173.585 172.908 0.677 1
1 393 . 19 1 1 A 39 39 TRP CA C 39 57.170 55.145 2.025 1
1 394 . 19 1 1 A 39 39 TRP CB C 39 31.554 32.069 -0.515 1
1 400 . 19 1 1 A 39 39 TRP N N 39 116.447 120.017 -3.570 1
1 402 . 19 1 1 A 40 40 GLU H H 40 8.522 8.889 -0.367 1
1 403 . 19 1 1 A 40 40 GLU HA H 40 4.619 4.656 -0.037 1
1 408 . 19 1 1 A 40 40 GLU C C 40 177.186 176.773 0.413 1
1 409 . 19 1 1 A 40 40 GLU CA C 40 54.356 55.418 -1.062 1
1 410 . 19 1 1 A 40 40 GLU CB C 40 30.344 31.101 -0.757 1
1 412 . 19 1 1 A 40 40 GLU N N 40 117.208 120.811 -3.603 1
1 413 . 19 1 1 A 41 41 HIS H H 41 8.477 8.769 -0.292 1
1 414 . 19 1 1 A 41 41 HIS HA H 41 4.748 4.801 -0.053 1
1 419 . 19 1 1 A 41 41 HIS C C 41 177.474 175.626 1.848 1
1 420 . 19 1 1 A 41 41 HIS CA C 41 54.779 56.036 -1.257 1
1 421 . 19 1 1 A 41 41 HIS CB C 41 31.140 30.278 0.862 1
1 424 . 19 1 1 A 41 41 HIS N N 41 119.083 125.072 -5.989 1
1 425 . 19 1 1 A 42 42 VAL H H 42 7.680 8.484 -0.804 1
1 426 . 19 1 1 A 42 42 VAL HA H 42 4.428 4.208 0.220 1
1 434 . 19 1 1 A 42 42 VAL C C 42 175.401 177.308 -1.907 1
1 435 . 19 1 1 A 42 42 VAL CA C 42 60.878 62.153 -1.275 1
1 436 . 19 1 1 A 42 42 VAL CB C 42 32.216 32.913 -0.697 1
1 439 . 19 1 1 A 42 42 VAL N N 42 114.975 123.585 -8.610 1
1 440 . 19 1 1 A 43 43 LEU H H 43 9.107 8.699 0.408 1
1 441 . 19 1 1 A 43 43 LEU HA H 43 4.303 4.151 0.152 1
1 451 . 19 1 1 A 43 43 LEU C C 43 178.603 177.190 1.413 1
1 452 . 19 1 1 A 43 43 LEU CA C 43 55.872 57.342 -1.470 1
1 453 . 19 1 1 A 43 43 LEU CB C 43 41.684 41.597 0.087 1
1 457 . 19 1 1 A 43 43 LEU N N 43 123.877 123.364 0.513 1
1 458 . 19 1 1 A 44 44 GLU H H 44 7.988 7.787 0.201 1
1 459 . 19 1 1 A 44 44 GLU HA H 44 4.152 4.517 -0.365 1
1 464 . 19 1 1 A 44 44 GLU C C 44 177.236 176.261 0.975 1
1 465 . 19 1 1 A 44 44 GLU CA C 44 57.282 56.058 1.224 1
1 466 . 19 1 1 A 44 44 GLU CB C 44 31.033 30.436 0.597 1
1 468 . 19 1 1 A 44 44 GLU N N 44 119.655 121.214 -1.559 1
1 469 . 19 1 1 A 45 45 LYS H H 45 8.596 8.674 -0.078 1
1 470 . 19 1 1 A 45 45 LYS HA H 45 4.295 4.402 -0.107 1
1 479 . 19 1 1 A 45 45 LYS C C 45 177.258 177.450 -0.192 1
1 480 . 19 1 1 A 45 45 LYS CA C 45 57.170 56.557 0.613 1
1 481 . 19 1 1 A 45 45 LYS CB C 45 32.204 32.210 -0.006 1
1 485 . 19 1 1 A 45 45 LYS N N 45 120.518 124.609 -4.091 1
1 486 . 19 1 1 A 46 46 ILE H H 46 7.212 7.711 -0.499 1
1 487 . 19 1 1 A 46 46 ILE HA H 46 4.371 4.141 0.230 1
1 497 . 19 1 1 A 46 46 ILE C C 46 175.191 176.325 -1.134 1
1 498 . 19 1 1 A 46 46 ILE CA C 46 60.666 63.307 -2.641 1
1 499 . 19 1 1 A 46 46 ILE CB C 46 37.531 37.689 -0.158 1
1 503 . 19 1 1 A 46 46 ILE N N 46 111.434 114.109 -2.675 1
1 504 . 19 1 1 A 47 47 VAL H H 47 7.378 7.239 0.139 1
1 505 . 19 1 1 A 47 47 VAL HA H 47 3.658 3.851 -0.193 1
1 513 . 19 1 1 A 47 47 VAL C C 47 175.157 176.131 -0.974 1
1 514 . 19 1 1 A 47 47 VAL CA C 47 63.521 62.355 1.166 1
1 515 . 19 1 1 A 47 47 VAL CB C 47 33.570 32.228 1.342 1
1 518 . 19 1 1 A 47 47 VAL N N 47 122.780 122.349 0.431 1
1 519 . 19 1 1 A 48 48 GLU H H 48 8.733 8.694 0.039 1
1 520 . 19 1 1 A 48 48 GLU HA H 48 4.615 4.231 0.384 1
1 525 . 19 1 1 A 48 48 GLU C C 48 176.241 176.476 -0.235 1
1 526 . 19 1 1 A 48 48 GLU CA C 48 56.701 58.672 -1.971 1
1 527 . 19 1 1 A 48 48 GLU CB C 48 32.966 30.707 2.259 1
1 529 . 19 1 1 A 48 48 GLU N N 48 124.835 125.334 -0.499 1
1 530 . 19 1 1 A 49 49 SER H H 49 8.130 7.651 0.479 1
1 531 . 19 1 1 A 49 49 SER HA H 49 4.726 4.750 -0.024 1
1 534 . 19 1 1 A 49 49 SER C C 49 171.371 171.724 -0.353 1
1 535 . 19 1 1 A 49 49 SER CA C 49 57.440 57.812 -0.372 1
1 536 . 19 1 1 A 49 49 SER CB C 49 66.073 66.367 -0.294 1
1 537 . 19 1 1 A 49 49 SER N N 49 114.231 111.994 2.237 1
1 538 . 19 1 1 A 50 50 TYR H H 50 8.681 8.884 -0.203 1
1 539 . 19 1 1 A 50 50 TYR HA H 50 5.057 4.983 0.074 1
1 546 . 19 1 1 A 50 50 TYR C C 50 174.034 174.746 -0.712 1
1 547 . 19 1 1 A 50 50 TYR CA C 50 57.434 56.410 1.024 1
1 548 . 19 1 1 A 50 50 TYR CB C 50 41.437 38.976 2.461 1
1 553 . 19 1 1 A 50 50 TYR N N 50 115.301 120.315 -5.014 1
1 554 . 19 1 1 A 51 51 GLN H H 51 9.200 8.794 0.406 1
1 555 . 19 1 1 A 51 51 GLN HA H 51 5.144 4.642 0.502 1
1 562 . 19 1 1 A 51 51 GLN C C 51 173.878 174.555 -0.677 1
1 563 . 19 1 1 A 51 51 GLN CA C 51 53.669 55.868 -2.199 1
1 564 . 19 1 1 A 51 51 GLN CB C 51 32.783 29.892 2.891 1
1 566 . 19 1 1 A 51 51 GLN N N 51 119.842 125.169 -5.327 1
1 568 . 19 1 1 A 52 52 ILE H H 52 9.441 8.941 0.500 1
1 569 . 19 1 1 A 52 52 ILE HA H 52 4.803 4.868 -0.065 1
1 579 . 19 1 1 A 52 52 ILE C C 52 174.953 174.264 0.689 1
1 580 . 19 1 1 A 52 52 ILE CA C 52 61.054 60.484 0.570 1
1 581 . 19 1 1 A 52 52 ILE CB C 52 39.108 40.110 -1.002 1
1 585 . 19 1 1 A 52 52 ILE N N 52 128.547 127.406 1.141 1
1 586 . 19 1 1 A 53 53 ARG H H 53 9.169 9.103 0.066 1
1 587 . 19 1 1 A 53 53 ARG HA H 53 5.628 5.170 0.458 1
1 594 . 19 1 1 A 53 53 ARG C C 53 174.869 175.063 -0.194 1
1 595 . 19 1 1 A 53 53 ARG CA C 53 54.479 54.721 -0.242 1
1 596 . 19 1 1 A 53 53 ARG CB C 53 33.942 32.029 1.913 1
1 599 . 19 1 1 A 53 53 ARG N N 53 127.779 129.711 -1.932 1
1 600 . 19 1 1 A 54 54 TYR H H 54 8.671 8.843 -0.172 1
1 601 . 19 1 1 A 54 54 TYR HA H 54 6.310 6.183 0.127 1
1 608 . 19 1 1 A 54 54 TYR C C 54 173.965 174.192 -0.227 1
1 609 . 19 1 1 A 54 54 TYR CA C 54 55.291 55.464 -0.173 1
1 610 . 19 1 1 A 54 54 TYR CB C 54 41.930 41.930 0.000 1
1 615 . 19 1 1 A 54 54 TYR N N 54 117.929 123.757 -5.828 1
1 616 . 19 1 1 A 55 55 TRP H H 55 8.928 8.882 0.046 1
1 617 . 19 1 1 A 55 55 TRP HA H 55 5.054 5.213 -0.159 1
1 626 . 19 1 1 A 55 55 TRP C C 55 172.613 174.083 -1.470 1
1 627 . 19 1 1 A 55 55 TRP CA C 55 56.577 55.906 0.671 1
1 628 . 19 1 1 A 55 55 TRP CB C 55 32.118 32.313 -0.195 1
1 634 . 19 1 1 A 55 55 TRP N N 55 121.459 119.331 2.128 1
1 636 . 19 1 1 A 56 56 ALA H H 56 8.870 8.184 0.686 1
1 637 . 19 1 1 A 56 56 ALA HA H 56 4.053 3.921 0.132 1
1 641 . 19 1 1 A 56 56 ALA C C 56 179.868 178.136 1.732 1
1 642 . 19 1 1 A 56 56 ALA CA C 56 50.478 51.958 -1.480 1
1 643 . 19 1 1 A 56 56 ALA CB C 56 19.108 18.692 0.416 1
1 644 . 19 1 1 A 56 56 ALA N N 56 124.214 123.712 0.502 1
1 645 . 19 1 1 A 57 57 ALA H H 57 8.147 8.285 -0.138 1
1 646 . 19 1 1 A 57 57 ALA HA H 57 3.913 4.225 -0.312 1
1 650 . 19 1 1 A 57 57 ALA C C 57 178.479 180.036 -1.557 1
1 651 . 19 1 1 A 57 57 ALA CA C 57 54.832 55.794 -0.962 1
1 652 . 19 1 1 A 57 57 ALA CB C 57 19.317 18.247 1.070 1
1 653 . 19 1 1 A 57 57 ALA N N 57 120.999 124.811 -3.812 1
1 654 . 19 1 1 A 58 58 HIS H H 58 7.274 8.084 -0.810 1
1 655 . 19 1 1 A 58 58 HIS HA H 58 4.605 4.302 0.303 1
1 660 . 19 1 1 A 58 58 HIS C C 58 175.349 175.603 -0.254 1
1 661 . 19 1 1 A 58 58 HIS CA C 58 56.066 59.175 -3.109 1
1 662 . 19 1 1 A 58 58 HIS CB C 58 29.780 28.718 1.062 1
1 665 . 19 1 1 A 58 58 HIS N N 58 109.961 115.221 -5.260 1
1 666 . 19 1 1 A 59 59 ASP H H 59 7.945 6.906 1.039 1
1 667 . 19 1 1 A 59 59 ASP HA H 59 4.869 4.483 0.386 1
1 670 . 19 1 1 A 59 59 ASP C C 59 175.895 175.876 0.019 1
1 671 . 19 1 1 A 59 59 ASP CA C 59 53.898 54.840 -0.942 1
1 672 . 19 1 1 A 59 59 ASP CB C 59 42.385 41.225 1.160 1
1 673 . 19 1 1 A 59 59 ASP N N 59 123.825 120.307 3.518 1
1 674 . 19 1 1 A 60 60 LYS H H 60 8.147 8.545 -0.398 1
1 675 . 19 1 1 A 60 60 LYS HA H 60 4.197 4.594 -0.397 1
1 682 . 19 1 1 A 60 60 LYS C C 60 177.212 177.231 -0.019 1
1 683 . 19 1 1 A 60 60 LYS CA C 60 56.121 54.746 1.375 1
1 684 . 19 1 1 A 60 60 LYS CB C 60 32.951 34.800 -1.849 1
1 688 . 19 1 1 A 60 60 LYS N N 60 117.803 119.925 -2.122 1
1 689 . 19 1 1 A 61 61 GLU H H 61 8.381 8.686 -0.305 1
1 690 . 19 1 1 A 61 61 GLU HA H 61 2.603 3.258 -0.655 1
1 695 . 19 1 1 A 61 61 GLU C C 61 178.058 178.527 -0.469 1
1 696 . 19 1 1 A 61 61 GLU CA C 61 58.622 58.389 0.233 1
1 697 . 19 1 1 A 61 61 GLU CB C 61 28.709 28.676 0.033 1
1 699 . 19 1 1 A 61 61 GLU N N 61 122.310 121.068 1.242 1
1 700 . 19 1 1 A 62 62 GLU H H 62 8.470 8.483 -0.013 1
1 701 . 19 1 1 A 62 62 GLU HA H 62 3.919 3.973 -0.054 1
1 706 . 19 1 1 A 62 62 GLU C C 62 176.293 177.601 -1.308 1
1 707 . 19 1 1 A 62 62 GLU CA C 62 57.899 59.329 -1.430 1
1 708 . 19 1 1 A 62 62 GLU CB C 62 28.796 28.975 -0.179 1
1 710 . 19 1 1 A 62 62 GLU N N 62 117.600 119.477 -1.877 1
1 711 . 19 1 1 A 63 63 ALA H H 63 7.760 7.174 0.586 1
1 712 . 19 1 1 A 63 63 ALA HA H 63 4.443 4.331 0.112 1
1 716 . 19 1 1 A 63 63 ALA C C 63 176.867 177.221 -0.354 1
1 717 . 19 1 1 A 63 63 ALA CA C 63 51.095 51.706 -0.611 1
1 718 . 19 1 1 A 63 63 ALA CB C 63 18.845 18.693 0.152 1
1 719 . 19 1 1 A 63 63 ALA N N 63 123.067 120.124 2.943 1
1 720 . 19 1 1 A 64 64 ALA H H 64 7.389 7.252 0.137 1
1 721 . 19 1 1 A 64 64 ALA HA H 64 4.175 4.293 -0.118 1
1 725 . 19 1 1 A 64 64 ALA C C 64 177.784 177.516 0.268 1
1 726 . 19 1 1 A 64 64 ALA CA C 64 53.099 51.956 1.143 1
1 727 . 19 1 1 A 64 64 ALA CB C 64 19.784 19.202 0.582 1
1 728 . 19 1 1 A 64 64 ALA N N 64 121.409 121.206 0.203 1
1 729 . 19 1 1 A 65 65 ASN H H 65 8.152 7.994 0.158 1
1 730 . 19 1 1 A 65 65 ASN HA H 65 4.714 4.620 0.094 1
1 735 . 19 1 1 A 65 65 ASN C C 65 173.533 175.150 -1.617 1
1 736 . 19 1 1 A 65 65 ASN CA C 65 52.523 53.921 -1.398 1
1 737 . 19 1 1 A 65 65 ASN CB C 65 40.739 38.650 2.089 1
1 738 . 19 1 1 A 65 65 ASN N N 65 119.620 120.278 -0.658 1
1 740 . 19 1 1 A 66 66 ARG H H 66 8.366 8.826 -0.460 1
1 741 . 19 1 1 A 66 66 ARG HA H 66 5.760 5.129 0.631 1
1 748 . 19 1 1 A 66 66 ARG C C 66 175.946 175.478 0.468 1
1 749 . 19 1 1 A 66 66 ARG CA C 66 54.902 54.733 0.169 1
1 750 . 19 1 1 A 66 66 ARG CB C 66 34.116 32.360 1.756 1
1 753 . 19 1 1 A 66 66 ARG N N 66 116.911 122.132 -5.221 1
1 754 . 19 1 1 A 67 67 VAL H H 67 9.057 8.853 0.204 1
1 755 . 19 1 1 A 67 67 VAL HA H 67 4.520 4.640 -0.120 1
1 763 . 19 1 1 A 67 67 VAL C C 67 173.731 174.124 -0.393 1
1 764 . 19 1 1 A 67 67 VAL CA C 67 60.845 61.786 -0.941 1
1 765 . 19 1 1 A 67 67 VAL CB C 67 35.917 34.571 1.346 1
1 768 . 19 1 1 A 67 67 VAL N N 67 122.047 123.847 -1.800 1
1 769 . 19 1 1 A 68 68 GLN H H 68 8.741 9.131 -0.390 1
1 770 . 19 1 1 A 68 68 GLN HA H 68 5.543 5.158 0.385 1
1 777 . 19 1 1 A 68 68 GLN C C 68 175.452 175.452 0.000 1
1 778 . 19 1 1 A 68 68 GLN CA C 68 54.462 54.695 -0.233 1
1 779 . 19 1 1 A 68 68 GLN CB C 68 32.087 30.743 1.344 1
1 781 . 19 1 1 A 68 68 GLN N N 68 124.250 129.091 -4.841 1
1 783 . 19 1 1 A 69 69 VAL H H 69 8.912 8.495 0.417 1
1 784 . 19 1 1 A 69 69 VAL HA H 69 5.012 5.030 -0.018 1
1 792 . 19 1 1 A 69 69 VAL C C 69 175.870 174.690 1.180 1
1 793 . 19 1 1 A 69 69 VAL CA C 69 59.045 59.599 -0.554 1
1 794 . 19 1 1 A 69 69 VAL CB C 69 35.106 35.434 -0.328 1
1 797 . 19 1 1 A 69 69 VAL N N 69 117.045 119.700 -2.655 1
1 798 . 19 1 1 A 70 70 THR H H 70 8.491 8.520 -0.029 1
1 799 . 19 1 1 A 70 70 THR HA H 70 4.585 4.640 -0.055 1
1 804 . 19 1 1 A 70 70 THR C C 70 175.015 175.837 -0.822 1
1 805 . 19 1 1 A 70 70 THR CA C 70 62.917 62.447 0.470 1
1 806 . 19 1 1 A 70 70 THR CB C 70 70.767 69.497 1.270 1
1 808 . 19 1 1 A 70 70 THR N N 70 111.495 116.624 -5.129 1
1 809 . 19 1 1 A 71 71 SER H H 71 7.522 8.911 -1.389 1
1 810 . 19 1 1 A 71 71 SER HA H 71 4.148 4.588 -0.440 1
1 813 . 19 1 1 A 71 71 SER C C 71 174.340 174.847 -0.507 1
1 814 . 19 1 1 A 71 71 SER CA C 71 59.749 60.432 -0.683 1
1 815 . 19 1 1 A 71 71 SER CB C 71 63.060 63.306 -0.246 1
1 816 . 19 1 1 A 71 71 SER N N 71 111.553 119.712 -8.159 1
1 817 . 19 1 1 A 72 72 GLN H H 72 7.718 8.121 -0.403 1
1 818 . 19 1 1 A 72 72 GLN HA H 72 4.428 4.527 -0.099 1
1 823 . 19 1 1 A 72 72 GLN C C 72 176.456 175.424 1.032 1
1 824 . 19 1 1 A 72 72 GLN CA C 72 56.630 56.119 0.511 1
1 825 . 19 1 1 A 72 72 GLN CB C 72 29.373 28.254 1.119 1
1 827 . 19 1 1 A 72 72 GLN N N 72 117.502 118.495 -0.993 1
1 829 . 19 1 1 A 73 73 GLU H H 73 7.650 7.378 0.272 1
1 830 . 19 1 1 A 73 73 GLU HA H 73 4.408 4.656 -0.248 1
1 835 . 19 1 1 A 73 73 GLU C C 73 176.484 176.295 0.189 1
1 836 . 19 1 1 A 73 73 GLU CA C 73 56.472 55.599 0.873 1
1 837 . 19 1 1 A 73 73 GLU CB C 73 31.962 29.930 2.032 1
1 839 . 19 1 1 A 73 73 GLU N N 73 119.175 120.787 -1.612 1
1 840 . 19 1 1 A 74 74 TYR H H 74 8.615 8.838 -0.223 1
1 841 . 19 1 1 A 74 74 TYR HA H 74 3.427 4.151 -0.724 1
1 848 . 19 1 1 A 74 74 TYR C C 74 171.853 175.014 -3.161 1
1 849 . 19 1 1 A 74 74 TYR CA C 74 56.565 59.633 -3.068 1
1 850 . 19 1 1 A 74 74 TYR CB C 74 39.410 37.776 1.634 1
1 855 . 19 1 1 A 74 74 TYR N N 74 118.997 124.496 -5.499 1
1 856 . 19 1 1 A 75 75 SER H H 75 6.801 7.439 -0.638 1
1 857 . 19 1 1 A 75 75 SER HA H 75 5.001 4.181 0.820 1
1 860 . 19 1 1 A 75 75 SER C C 75 172.976 172.423 0.553 1
1 861 . 19 1 1 A 75 75 SER CA C 75 56.154 56.719 -0.565 1
1 862 . 19 1 1 A 75 75 SER CB C 75 66.541 65.381 1.160 1
1 863 . 19 1 1 A 75 75 SER N N 75 109.803 110.934 -1.131 1
1 864 . 19 1 1 A 76 76 ALA H H 76 8.897 9.050 -0.153 1
1 865 . 19 1 1 A 76 76 ALA HA H 76 4.604 5.197 -0.593 1
1 869 . 19 1 1 A 76 76 ALA C C 76 174.777 175.610 -0.833 1
1 870 . 19 1 1 A 76 76 ALA CA C 76 51.359 50.454 0.905 1
1 871 . 19 1 1 A 76 76 ALA CB C 76 23.140 22.381 0.759 1
1 872 . 19 1 1 A 76 76 ALA N N 76 120.416 124.233 -3.817 1
1 873 . 19 1 1 A 77 77 ARG H H 77 8.529 8.733 -0.204 1
1 874 . 19 1 1 A 77 77 ARG HA H 77 4.681 5.057 -0.376 1
1 881 . 19 1 1 A 77 77 ARG C C 77 174.533 174.166 0.367 1
1 882 . 19 1 1 A 77 77 ARG CA C 77 54.973 54.564 0.409 1
1 883 . 19 1 1 A 77 77 ARG CB C 77 31.839 34.047 -2.208 1
1 886 . 19 1 1 A 77 77 ARG N N 77 121.172 119.617 1.555 1
1 887 . 19 1 1 A 78 78 LEU H H 78 9.089 9.086 0.003 1
1 888 . 19 1 1 A 78 78 LEU HA H 78 4.396 5.005 -0.609 1
1 898 . 19 1 1 A 78 78 LEU C C 78 175.107 175.235 -0.128 1
1 899 . 19 1 1 A 78 78 LEU CA C 78 53.333 53.084 0.249 1
1 900 . 19 1 1 A 78 78 LEU CB C 78 41.272 45.435 -4.163 1
1 904 . 19 1 1 A 78 78 LEU N N 78 126.698 126.613 0.085 1
1 905 . 19 1 1 A 79 79 GLU H H 79 8.239 8.673 -0.434 1
1 906 . 19 1 1 A 79 79 GLU HA H 79 5.034 5.112 -0.078 1
1 911 . 19 1 1 A 79 79 GLU C C 79 174.792 175.545 -0.753 1
1 912 . 19 1 1 A 79 79 GLU CA C 79 54.056 54.598 -0.542 1
1 913 . 19 1 1 A 79 79 GLU CB C 79 33.692 33.082 0.610 1
1 915 . 19 1 1 A 79 79 GLU N N 79 119.147 121.031 -1.884 1
1 916 . 19 1 1 A 80 80 ASN H H 80 9.068 8.239 0.829 1
1 917 . 19 1 1 A 80 80 ASN HA H 80 4.303 4.298 0.005 1
1 922 . 19 1 1 A 80 80 ASN C C 80 174.823 173.955 0.868 1
1 923 . 19 1 1 A 80 80 ASN CA C 80 54.462 54.229 0.233 1
1 924 . 19 1 1 A 80 80 ASN CB C 80 37.359 37.116 0.243 1
1 925 . 19 1 1 A 80 80 ASN N N 80 113.324 116.442 -3.118 1
1 927 . 19 1 1 A 81 81 LEU H H 81 8.671 7.652 1.019 1
1 928 . 19 1 1 A 81 81 LEU HA H 81 4.252 4.701 -0.449 1
1 938 . 19 1 1 A 81 81 LEU C C 81 175.804 175.949 -0.145 1
1 939 . 19 1 1 A 81 81 LEU CA C 81 53.841 53.354 0.487 1
1 940 . 19 1 1 A 81 81 LEU CB C 81 40.891 43.351 -2.460 1
1 944 . 19 1 1 A 81 81 LEU N N 81 117.886 118.825 -0.939 1
1 945 . 19 1 1 A 82 82 LEU H H 82 8.448 8.842 -0.394 1
1 946 . 19 1 1 A 82 82 LEU HA H 82 4.600 4.769 -0.169 1
1 956 . 19 1 1 A 82 82 LEU C C 82 175.149 174.815 0.334 1
1 957 . 19 1 1 A 82 82 LEU CA C 82 52.629 52.884 -0.255 1
1 958 . 19 1 1 A 82 82 LEU CB C 82 42.449 41.293 1.156 1
1 962 . 19 1 1 A 82 82 LEU N N 82 121.118 122.280 -1.162 1
1 963 . 19 1 1 A 83 83 PRO HA H 83 5.237 4.402 0.835 1
1 970 . 19 1 1 A 83 83 PRO C C 83 178.145 176.740 1.405 1
1 971 . 19 1 1 A 83 83 PRO CA C 83 62.472 63.088 -0.616 1
1 972 . 19 1 1 A 83 83 PRO CB C 83 33.232 32.328 0.904 1
1 975 . 19 1 1 A 84 84 ASP H H 84 7.943 9.294 -1.351 1
1 976 . 19 1 1 A 84 84 ASP HA H 84 4.208 4.423 -0.215 1
1 979 . 19 1 1 A 84 84 ASP C C 84 174.476 175.054 -0.578 1
1 980 . 19 1 1 A 84 84 ASP CA C 84 54.250 54.886 -0.636 1
1 981 . 19 1 1 A 84 84 ASP CB C 84 41.568 38.704 2.864 1
1 982 . 19 1 1 A 84 84 ASP N N 84 126.496 122.092 4.404 1
1 983 . 19 1 1 A 85 85 THR H H 85 8.261 7.929 0.332 1
1 984 . 19 1 1 A 85 85 THR HA H 85 4.381 4.666 -0.285 1
1 989 . 19 1 1 A 85 85 THR C C 85 170.639 172.794 -2.155 1
1 990 . 19 1 1 A 85 85 THR CA C 85 62.951 61.238 1.713 1
1 991 . 19 1 1 A 85 85 THR CB C 85 72.217 71.954 0.263 1
1 993 . 19 1 1 A 85 85 THR N N 85 114.015 114.116 -0.101 1
1 994 . 19 1 1 A 86 86 GLN H H 86 8.221 8.565 -0.344 1
1 995 . 19 1 1 A 86 86 GLN HA H 86 3.664 4.288 -0.624 1
1 1002 . 19 1 1 A 86 86 GLN C C 86 172.890 174.103 -1.213 1
1 1003 . 19 1 1 A 86 86 GLN CA C 86 54.585 54.792 -0.207 1
1 1004 . 19 1 1 A 86 86 GLN CB C 86 28.836 29.453 -0.617 1
1 1006 . 19 1 1 A 86 86 GLN N N 86 127.039 126.554 0.485 1
1 1008 . 19 1 1 A 87 87 TYR H H 87 8.976 8.602 0.374 1
1 1009 . 19 1 1 A 87 87 TYR HA H 87 4.583 4.739 -0.156 1
1 1016 . 19 1 1 A 87 87 TYR C C 87 173.534 174.278 -0.744 1
1 1017 . 19 1 1 A 87 87 TYR CA C 87 57.599 56.358 1.241 1
1 1018 . 19 1 1 A 87 87 TYR CB C 87 42.344 41.609 0.735 1
1 1023 . 19 1 1 A 87 87 TYR N N 87 126.060 124.377 1.683 1
1 1024 . 19 1 1 A 88 88 PHE H H 88 8.388 8.460 -0.072 1
1 1025 . 19 1 1 A 88 88 PHE HA H 88 4.902 4.970 -0.068 1
1 1033 . 19 1 1 A 88 88 PHE C C 88 175.238 174.526 0.712 1
1 1034 . 19 1 1 A 88 88 PHE CA C 88 55.872 56.925 -1.053 1
1 1035 . 19 1 1 A 88 88 PHE CB C 88 40.284 37.837 2.447 1
1 1041 . 19 1 1 A 88 88 PHE N N 88 118.991 122.579 -3.588 1
1 1042 . 19 1 1 A 89 89 ILE H H 89 8.450 8.911 -0.461 1
1 1043 . 19 1 1 A 89 89 ILE HA H 89 4.913 4.921 -0.008 1
1 1053 . 19 1 1 A 89 89 ILE C C 89 174.770 175.051 -0.281 1
1 1054 . 19 1 1 A 89 89 ILE CA C 89 60.472 60.173 0.299 1
1 1055 . 19 1 1 A 89 89 ILE CB C 89 43.167 38.844 4.323 1
1 1059 . 19 1 1 A 89 89 ILE N N 89 118.943 125.419 -6.476 1
1 1060 . 19 1 1 A 90 90 GLU H H 90 9.071 8.843 0.228 1
1 1061 . 19 1 1 A 90 90 GLU HA H 90 4.558 5.317 -0.759 1
1 1066 . 19 1 1 A 90 90 GLU C C 90 173.981 174.738 -0.757 1
1 1067 . 19 1 1 A 90 90 GLU CA C 90 54.831 54.739 0.092 1
1 1068 . 19 1 1 A 90 90 GLU CB C 90 35.052 33.182 1.870 1
1 1070 . 19 1 1 A 90 90 GLU N N 90 124.044 128.064 -4.020 1
1 1071 . 19 1 1 A 91 91 VAL H H 91 8.564 8.598 -0.034 1
1 1072 . 19 1 1 A 91 91 VAL HA H 91 4.968 4.684 0.284 1
1 1080 . 19 1 1 A 91 91 VAL C C 91 174.488 175.163 -0.675 1
1 1081 . 19 1 1 A 91 91 VAL CA C 91 60.525 60.723 -0.198 1
1 1082 . 19 1 1 A 91 91 VAL CB C 91 34.308 33.206 1.102 1
1 1085 . 19 1 1 A 91 91 VAL N N 91 121.165 126.455 -5.290 1
1 1086 . 19 1 1 A 92 92 GLY H H 92 8.941 8.358 0.583 1
1 1087 . 19 1 1 A 92 92 GLY HA2 H 92 4.571 4.259 0.312 1
1 1088 . 19 1 1 A 92 92 GLY HA3 H 92 3.581 4.261 -0.680 1
1 1089 . 19 1 1 A 92 92 GLY C C 92 171.577 172.225 -0.648 1
1 1090 . 19 1 1 A 92 92 GLY CA C 92 43.640 44.544 -0.904 1
1 1091 . 19 1 1 A 92 92 GLY N N 92 112.251 114.764 -2.513 1
1 1092 . 19 1 1 A 93 93 ALA H H 93 10.001 8.605 1.396 1
1 1093 . 19 1 1 A 93 93 ALA HA H 93 4.560 3.994 0.566 1
1 1097 . 19 1 1 A 93 93 ALA C C 93 176.786 176.729 0.057 1
1 1098 . 19 1 1 A 93 93 ALA CA C 93 51.060 52.004 -0.944 1
1 1099 . 19 1 1 A 93 93 ALA CB C 93 21.088 19.039 2.049 1
1 1100 . 19 1 1 A 93 93 ALA N N 93 126.200 125.954 0.246 1
1 1101 . 19 1 1 A 94 94 CYS H H 94 8.739 8.703 0.036 1
1 1102 . 19 1 1 A 94 94 CYS HA H 94 5.214 4.874 0.340 1
1 1105 . 19 1 1 A 94 94 CYS C C 94 174.087 173.198 0.889 1
1 1106 . 19 1 1 A 94 94 CYS CA C 94 57.088 58.275 -1.187 1
1 1107 . 19 1 1 A 94 94 CYS CB C 94 31.345 31.711 -0.366 1
1 1108 . 19 1 1 A 94 94 CYS N N 94 118.064 121.432 -3.368 1
1 1109 . 19 1 1 A 95 95 ASN H H 95 8.968 8.332 0.636 1
1 1110 . 19 1 1 A 95 95 ASN HA H 95 4.593 5.002 -0.409 1
1 1115 . 19 1 1 A 95 95 ASN C C 95 176.009 175.904 0.105 1
1 1116 . 19 1 1 A 95 95 ASN CA C 95 52.981 50.834 2.147 1
1 1117 . 19 1 1 A 95 95 ASN CB C 95 39.336 39.747 -0.411 1
1 1118 . 19 1 1 A 95 95 ASN N N 95 121.604 124.707 -3.103 1
1 1120 . 19 1 1 A 96 96 SER H H 96 8.483 8.891 -0.408 1
1 1121 . 19 1 1 A 96 96 SER HA H 96 4.085 4.094 -0.009 1
1 1124 . 19 1 1 A 96 96 SER C C 96 174.700 176.530 -1.830 1
1 1125 . 19 1 1 A 96 96 SER CA C 96 61.600 61.175 0.425 1
1 1126 . 19 1 1 A 96 96 SER CB C 96 62.794 62.730 0.064 1
1 1127 . 19 1 1 A 96 96 SER N N 96 113.664 114.771 -1.107 1
1 1128 . 19 1 1 A 97 97 ALA H H 97 8.187 7.602 0.585 1
1 1129 . 19 1 1 A 97 97 ALA HA H 97 4.357 4.055 0.302 1
1 1133 . 19 1 1 A 97 97 ALA C C 97 177.600 176.831 0.769 1
1 1134 . 19 1 1 A 97 97 ALA CA C 97 52.681 55.098 -2.417 1
1 1135 . 19 1 1 A 97 97 ALA CB C 97 19.192 19.113 0.079 1
1 1136 . 19 1 1 A 97 97 ALA N N 97 123.374 122.048 1.326 1
1 1137 . 19 1 1 A 98 98 GLY H H 98 7.800 7.447 0.353 1
1 1138 . 19 1 1 A 98 98 GLY HA2 H 98 4.444 4.184 0.260 1
1 1139 . 19 1 1 A 98 98 GLY HA3 H 98 3.840 4.184 -0.344 1
1 1140 . 19 1 1 A 98 98 GLY C C 98 171.071 171.884 -0.813 1
1 1141 . 19 1 1 A 98 98 GLY CA C 98 44.809 43.823 0.986 1
1 1142 . 19 1 1 A 98 98 GLY N N 98 106.029 104.138 1.891 1
1 1143 . 19 1 1 A 99 99 CYS H H 99 8.399 8.534 -0.135 1
1 1144 . 19 1 1 A 99 99 CYS HA H 99 4.891 4.927 -0.036 1
1 1147 . 19 1 1 A 99 99 CYS C C 99 175.557 175.126 0.431 1
1 1148 . 19 1 1 A 99 99 CYS CA C 99 57.670 58.189 -0.519 1
1 1149 . 19 1 1 A 99 99 CYS CB C 99 29.469 28.221 1.248 1
1 1150 . 19 1 1 A 99 99 CYS N N 99 117.855 119.472 -1.617 1
1 1151 . 19 1 1 A 100 100 GLY H H 100 8.930 8.881 0.049 1
1 1152 . 19 1 1 A 100 100 GLY HA2 H 100 4.282 4.108 0.174 1
1 1153 . 19 1 1 A 100 100 GLY HA3 H 100 3.764 4.123 -0.359 1
1 1154 . 19 1 1 A 100 100 GLY C C 100 170.974 173.074 -2.100 1
1 1155 . 19 1 1 A 100 100 GLY CA C 100 45.578 44.169 1.409 1
1 1156 . 19 1 1 A 100 100 GLY N N 100 113.025 114.192 -1.167 1
1 1157 . 19 1 1 A 101 101 PRO HA H 101 4.616 4.603 0.013 1
1 1164 . 19 1 1 A 101 101 PRO CA C 101 60.598 62.286 -1.688 1
1 1165 . 19 1 1 A 101 101 PRO CB C 101 30.874 32.241 -1.367 1
1 1168 . 19 1 1 A 102 102 PRO HA H 102 4.659 4.522 0.137 1
1 1175 . 19 1 1 A 102 102 PRO C C 102 178.078 176.471 1.607 1
1 1176 . 19 1 1 A 102 102 PRO CA C 102 62.111 62.303 -0.192 1
1 1177 . 19 1 1 A 102 102 PRO CB C 102 32.383 32.233 0.150 1
1 1180 . 19 1 1 A 103 103 SER H H 103 8.732 8.369 0.363 1
1 1181 . 19 1 1 A 103 103 SER HA H 103 4.222 4.614 -0.392 1
1 1184 . 19 1 1 A 103 103 SER C C 103 173.155 174.102 -0.947 1
1 1185 . 19 1 1 A 103 103 SER CA C 103 58.321 57.754 0.567 1
1 1186 . 19 1 1 A 103 103 SER CB C 103 65.815 65.285 0.530 1
1 1187 . 19 1 1 A 103 103 SER N N 103 113.387 114.993 -1.606 1
1 1188 . 19 1 1 A 104 104 ASP H H 104 8.248 8.369 -0.121 1
1 1189 . 19 1 1 A 104 104 ASP HA H 104 4.472 4.732 -0.260 1
1 1192 . 19 1 1 A 104 104 ASP C C 104 176.703 175.497 1.206 1
1 1193 . 19 1 1 A 104 104 ASP CA C 104 55.573 53.822 1.751 1
1 1194 . 19 1 1 A 104 104 ASP CB C 104 40.583 41.508 -0.925 1
1 1195 . 19 1 1 A 104 104 ASP N N 104 119.021 122.126 -3.105 1
1 1196 . 19 1 1 A 105 105 MET H H 105 8.460 8.589 -0.129 1
1 1197 . 19 1 1 A 105 105 MET HA H 105 4.542 4.710 -0.168 1
1 1205 . 19 1 1 A 105 105 MET C C 105 175.687 174.935 0.752 1
1 1206 . 19 1 1 A 105 105 MET CA C 105 56.348 55.440 0.908 1
1 1207 . 19 1 1 A 105 105 MET CB C 105 33.610 33.352 0.258 1
1 1210 . 19 1 1 A 105 105 MET N N 105 124.915 122.888 2.027 1
1 1211 . 19 1 1 A 106 106 ILE H H 106 8.914 8.750 0.164 1
1 1212 . 19 1 1 A 106 106 ILE HA H 106 4.571 4.942 -0.371 1
1 1222 . 19 1 1 A 106 106 ILE C C 106 173.498 175.587 -2.089 1
1 1223 . 19 1 1 A 106 106 ILE CA C 106 59.185 59.680 -0.495 1
1 1224 . 19 1 1 A 106 106 ILE CB C 106 40.786 40.526 0.260 1
1 1228 . 19 1 1 A 106 106 ILE N N 106 126.141 127.250 -1.109 1
1 1229 . 19 1 1 A 107 107 GLU H H 107 7.999 8.984 -0.985 1
1 1230 . 19 1 1 A 107 107 GLU HA H 107 5.373 4.963 0.410 1
1 1235 . 19 1 1 A 107 107 GLU C C 107 175.263 175.243 0.020 1
1 1236 . 19 1 1 A 107 107 GLU CA C 107 53.343 54.657 -1.314 1
1 1237 . 19 1 1 A 107 107 GLU CB C 107 32.951 32.964 -0.013 1
1 1239 . 19 1 1 A 107 107 GLU N N 107 121.346 123.477 -2.131 1
1 1240 . 19 1 1 A 108 108 ALA H H 108 8.685 9.156 -0.471 1
1 1241 . 19 1 1 A 108 108 ALA HA H 108 4.549 5.582 -1.033 1
1 1245 . 19 1 1 A 108 108 ALA C C 108 174.431 175.787 -1.356 1
1 1246 . 19 1 1 A 108 108 ALA CA C 108 51.113 50.118 0.995 1
1 1247 . 19 1 1 A 108 108 ALA CB C 108 23.724 23.129 0.595 1
1 1248 . 19 1 1 A 108 108 ALA N N 108 123.009 123.280 -0.271 1
1 1249 . 19 1 1 A 109 109 PHE H H 109 8.519 9.118 -0.599 1
1 1250 . 19 1 1 A 109 109 PHE HA H 109 5.481 5.082 0.399 1
1 1258 . 19 1 1 A 109 109 PHE C C 109 177.604 175.878 1.726 1
1 1259 . 19 1 1 A 109 109 PHE CA C 109 55.854 56.540 -0.686 1
1 1260 . 19 1 1 A 109 109 PHE CB C 109 41.019 40.825 0.194 1
1 1266 . 19 1 1 A 109 109 PHE N N 109 119.997 117.969 2.028 1
1 1267 . 19 1 1 A 110 110 THR H H 110 8.839 8.593 0.246 1
1 1268 . 19 1 1 A 110 110 THR HA H 110 4.103 4.511 -0.408 1
1 1273 . 19 1 1 A 110 110 THR C C 110 175.354 174.443 0.911 1
1 1274 . 19 1 1 A 110 110 THR CA C 110 61.763 61.628 0.135 1
1 1275 . 19 1 1 A 110 110 THR CB C 110 69.356 70.492 -1.136 1
1 1277 . 19 1 1 A 110 110 THR N N 110 112.067 116.952 -4.885 1
1 1278 . 19 1 1 A 111 111 LYS H H 111 6.542 8.537 -1.995 1
1 1279 . 19 1 1 A 111 111 LYS HA H 111 4.208 4.352 -0.144 1
1 1288 . 19 1 1 A 111 111 LYS C C 111 176.693 177.468 -0.775 1
1 1289 . 19 1 1 A 111 111 LYS CA C 111 56.383 56.231 0.152 1
1 1290 . 19 1 1 A 111 111 LYS CB C 111 33.447 33.260 0.187 1
1 1294 . 19 1 1 A 111 111 LYS N N 111 116.497 121.621 -5.124 1
1 1295 . 19 1 1 A 112 112 LYS H H 112 8.230 8.574 -0.344 1
1 1296 . 19 1 1 A 112 112 LYS HA H 112 4.143 4.384 -0.241 1
1 1304 . 19 1 1 A 112 112 LYS C C 112 176.823 176.656 0.167 1
1 1305 . 19 1 1 A 112 112 LYS CA C 112 57.229 56.818 0.411 1
1 1306 . 19 1 1 A 112 112 LYS CB C 112 33.528 32.797 0.731 1
1 1310 . 19 1 1 A 112 112 LYS N N 112 118.783 121.925 -3.142 1
1 1311 . 19 1 1 A 113 113 ALA H H 113 8.762 8.392 0.370 1
1 1312 . 19 1 1 A 113 113 ALA HA H 113 4.338 4.515 -0.177 1
1 1316 . 19 1 1 A 113 113 ALA C C 113 177.688 176.733 0.955 1
1 1317 . 19 1 1 A 113 113 ALA CA C 113 52.417 52.269 0.148 1
1 1318 . 19 1 1 A 113 113 ALA CB C 113 19.272 18.510 0.762 1
1 1319 . 19 1 1 A 113 113 ALA N N 113 124.432 127.261 -2.829 1
1 1320 . 19 1 1 A 114 114 SER H H 114 8.386 8.236 0.150 1
1 1321 . 19 1 1 A 114 114 SER HA H 114 4.487 4.916 -0.429 1
1 1324 . 19 1 1 A 114 114 SER C C 114 174.474 173.814 0.660 1
1 1325 . 19 1 1 A 114 114 SER CA C 114 58.063 57.552 0.511 1
1 1326 . 19 1 1 A 114 114 SER CB C 114 64.012 67.139 -3.127 1
1 1327 . 19 1 1 A 114 114 SER N N 114 115.798 117.651 -1.853 1
1 1328 . 19 1 1 A 115 115 GLY H H 115 8.278 8.424 -0.146 1
1 1329 . 19 1 1 A 115 115 GLY HA2 H 115 4.172 4.125 0.047 1
1 1330 . 19 1 1 A 115 115 GLY HA3 H 115 4.094 4.125 -0.031 1
1 1331 . 19 1 1 A 115 115 GLY C C 115 171.799 173.448 -1.649 1
1 1332 . 19 1 1 A 115 115 GLY CA C 115 44.662 44.483 0.179 1
1 1333 . 19 1 1 A 115 115 GLY N N 115 110.600 110.817 -0.217 1
1 1334 . 19 1 1 A 116 116 PRO HA H 116 4.472 4.707 -0.235 1
1 1341 . 19 1 1 A 116 116 PRO C C 116 177.440 176.407 1.033 1
1 1342 . 19 1 1 A 116 116 PRO CA C 116 63.275 62.674 0.601 1
1 1343 . 19 1 1 A 116 116 PRO CB C 116 32.169 31.502 0.667 1
1 1346 . 19 1 1 A 117 117 SER HA H 117 4.505 4.614 -0.109 1
1 1348 . 19 1 1 A 117 117 SER C C 117 174.652 173.818 0.834 1
1 1349 . 19 1 1 A 117 117 SER CA C 117 58.393 58.386 0.007 1
1 1350 . 19 1 1 A 117 117 SER CB C 117 63.899 62.379 1.520 1
1 1351 . 19 1 1 A 117 117 SER N N 117 116.140 120.810 -4.670 1
1 1352 . 19 1 1 A 118 118 SER H H 118 8.314 8.050 0.264 1
1 1353 . 19 1 1 A 118 118 SER HA H 118 4.494 4.281 0.213 1
1 1355 . 19 1 1 A 118 118 SER C C 118 173.938 174.540 -0.602 1
1 1356 . 19 1 1 A 118 118 SER CA C 118 58.428 59.747 -1.319 1
1 1357 . 19 1 1 A 118 118 SER CB C 118 63.929 63.933 -0.004 1
1 1358 . 19 1 1 A 118 118 SER N N 118 117.760 120.904 -3.144 1
1 6 . 20 1 1 A 4 4 GLY H H 4 8.507 8.596 -0.089 1
1 7 . 20 1 1 A 4 4 GLY HA2 H 4 4.513 4.176 0.337 1
1 8 . 20 1 1 A 4 4 GLY HA3 H 4 3.859 4.176 -0.317 1
1 9 . 20 1 1 A 4 4 GLY CA C 4 44.199 44.983 -0.784 1
1 10 . 20 1 1 A 4 4 GLY N N 4 116.148 109.830 6.318 1
1 11 . 20 1 1 A 6 6 SER HA H 6 4.472 5.005 -0.533 1
1 13 . 20 1 1 A 6 6 SER C C 6 174.998 173.356 1.642 1
1 14 . 20 1 1 A 6 6 SER CA C 6 58.657 57.281 1.376 1
1 15 . 20 1 1 A 6 6 SER CB C 6 64.025 66.376 -2.351 1
1 16 . 20 1 1 A 7 7 GLY H H 7 8.399 8.910 -0.511 1
1 17 . 20 1 1 A 7 7 GLY HA2 H 7 3.963 3.923 0.040 1
1 18 . 20 1 1 A 7 7 GLY HA3 H 7 3.963 3.924 0.039 1
1 19 . 20 1 1 A 7 7 GLY C C 7 173.942 174.351 -0.409 1
1 20 . 20 1 1 A 7 7 GLY CA C 7 45.332 47.346 -2.014 1
1 21 . 20 1 1 A 7 7 GLY N N 7 110.856 108.661 2.195 1
1 22 . 20 1 1 A 8 8 VAL H H 8 7.919 8.213 -0.294 1
1 23 . 20 1 1 A 8 8 VAL HA H 8 4.101 3.791 0.310 1
1 31 . 20 1 1 A 8 8 VAL C C 8 175.827 177.162 -1.335 1
1 32 . 20 1 1 A 8 8 VAL CA C 8 61.987 64.739 -2.752 1
1 33 . 20 1 1 A 8 8 VAL CB C 8 32.786 31.847 0.939 1
1 36 . 20 1 1 A 8 8 VAL N N 8 119.305 124.187 -4.882 1
1 37 . 20 1 1 A 9 9 ALA H H 9 8.367 7.653 0.714 1
1 38 . 20 1 1 A 9 9 ALA HA H 9 4.329 4.190 0.139 1
1 42 . 20 1 1 A 9 9 ALA C C 9 177.422 177.082 0.340 1
1 43 . 20 1 1 A 9 9 ALA CA C 9 52.399 52.589 -0.190 1
1 44 . 20 1 1 A 9 9 ALA CB C 9 19.317 19.306 0.011 1
1 45 . 20 1 1 A 9 9 ALA N N 9 128.175 123.580 4.595 1
1 46 . 20 1 1 A 10 10 VAL H H 10 8.154 8.384 -0.230 1
1 47 . 20 1 1 A 10 10 VAL HA H 10 4.046 4.340 -0.294 1
1 55 . 20 1 1 A 10 10 VAL C C 10 176.076 175.699 0.377 1
1 56 . 20 1 1 A 10 10 VAL CA C 10 62.288 61.669 0.619 1
1 57 . 20 1 1 A 10 10 VAL CB C 10 32.786 32.711 0.075 1
1 60 . 20 1 1 A 10 10 VAL N N 10 120.641 119.723 0.918 1
1 61 . 20 1 1 A 11 11 ILE H H 11 8.261 8.855 -0.594 1
1 62 . 20 1 1 A 11 11 ILE HA H 11 4.148 4.801 -0.653 1
1 72 . 20 1 1 A 11 11 ILE C C 11 175.857 174.817 1.040 1
1 73 . 20 1 1 A 11 11 ILE CA C 11 60.842 59.897 0.945 1
1 74 . 20 1 1 A 11 11 ILE CB C 11 38.776 38.772 0.004 1
1 78 . 20 1 1 A 11 11 ILE N N 11 125.253 125.505 -0.252 1
1 79 . 20 1 1 A 12 12 ASN H H 12 8.575 9.146 -0.571 1
1 80 . 20 1 1 A 12 12 ASN HA H 12 4.737 5.335 -0.598 1
1 85 . 20 1 1 A 12 12 ASN C C 12 175.004 173.366 1.638 1
1 86 . 20 1 1 A 12 12 ASN CA C 12 53.087 51.824 1.263 1
1 87 . 20 1 1 A 12 12 ASN CB C 12 39.076 40.747 -1.671 1
1 88 . 20 1 1 A 12 12 ASN N N 12 123.538 126.390 -2.852 1
1 90 . 20 1 1 A 13 13 SER H H 13 8.317 8.832 -0.515 1
1 91 . 20 1 1 A 13 13 SER HA H 13 4.373 4.692 -0.319 1
1 94 . 20 1 1 A 13 13 SER C C 13 174.118 173.172 0.946 1
1 95 . 20 1 1 A 13 13 SER CA C 13 58.375 57.221 1.154 1
1 96 . 20 1 1 A 13 13 SER CB C 13 63.866 63.151 0.715 1
1 97 . 20 1 1 A 13 13 SER N N 13 116.982 120.918 -3.936 1
1 98 . 20 1 1 A 14 14 ALA H H 14 8.317 8.160 0.157 1
1 99 . 20 1 1 A 14 14 ALA HA H 14 4.285 4.716 -0.431 1
1 103 . 20 1 1 A 14 14 ALA C C 14 177.298 176.872 0.426 1
1 104 . 20 1 1 A 14 14 ALA CA C 14 52.628 51.452 1.176 1
1 105 . 20 1 1 A 14 14 ALA CB C 14 19.192 22.507 -3.315 1
1 106 . 20 1 1 A 14 14 ALA N N 14 125.606 128.504 -2.898 1
1 107 . 20 1 1 A 15 15 GLN H H 15 8.221 8.812 -0.591 1
1 108 . 20 1 1 A 15 15 GLN HA H 15 4.237 4.275 -0.038 1
1 115 . 20 1 1 A 15 15 GLN C C 15 174.741 175.176 -0.435 1
1 116 . 20 1 1 A 15 15 GLN CA C 15 55.925 57.316 -1.391 1
1 117 . 20 1 1 A 15 15 GLN CB C 15 29.990 28.971 1.019 1
1 119 . 20 1 1 A 15 15 GLN N N 15 119.248 118.964 0.284 1
1 121 . 20 1 1 A 16 16 ASP H H 16 7.898 7.781 0.117 1
1 122 . 20 1 1 A 16 16 ASP HA H 16 4.714 5.000 -0.286 1
1 125 . 20 1 1 A 16 16 ASP C C 16 175.219 173.696 1.523 1
1 126 . 20 1 1 A 16 16 ASP CA C 16 53.387 53.308 0.079 1
1 127 . 20 1 1 A 16 16 ASP CB C 16 42.771 44.667 -1.896 1
1 128 . 20 1 1 A 16 16 ASP N N 16 119.674 117.721 1.953 1
1 129 . 20 1 1 A 17 17 ALA H H 17 8.256 8.324 -0.068 1
1 130 . 20 1 1 A 17 17 ALA HA H 17 4.549 4.834 -0.285 1
1 134 . 20 1 1 A 17 17 ALA C C 17 174.226 174.334 -0.108 1
1 135 . 20 1 1 A 17 17 ALA CA C 17 50.514 49.828 0.686 1
1 136 . 20 1 1 A 17 17 ALA CB C 17 16.689 22.284 -5.595 1
1 137 . 20 1 1 A 17 17 ALA N N 17 123.830 121.445 2.385 1
1 138 . 20 1 1 A 18 18 PRO HA H 18 4.247 4.766 -0.519 1
1 145 . 20 1 1 A 18 18 PRO CA C 18 63.135 62.725 0.410 1
1 146 . 20 1 1 A 18 18 PRO CB C 18 31.866 31.959 -0.093 1
1 149 . 20 1 1 A 19 19 SER HA H 19 4.524 4.582 -0.058 1
1 152 . 20 1 1 A 19 19 SER C C 19 173.934 173.957 -0.023 1
1 153 . 20 1 1 A 19 19 SER CA C 19 58.657 58.501 0.156 1
1 154 . 20 1 1 A 19 19 SER CB C 19 65.246 65.381 -0.135 1
1 155 . 20 1 1 A 20 20 GLU H H 20 7.589 7.583 0.006 1
1 156 . 20 1 1 A 20 20 GLU HA H 20 4.604 4.715 -0.111 1
1 161 . 20 1 1 A 20 20 GLU C C 20 175.082 175.419 -0.337 1
1 162 . 20 1 1 A 20 20 GLU CA C 20 54.762 56.038 -1.276 1
1 163 . 20 1 1 A 20 20 GLU CB C 20 33.405 31.252 2.153 1
1 165 . 20 1 1 A 20 20 GLU N N 20 121.739 121.502 0.237 1
1 166 . 20 1 1 A 21 21 ALA H H 21 8.564 8.934 -0.370 1
1 167 . 20 1 1 A 21 21 ALA HA H 21 4.995 4.949 0.046 1
1 171 . 20 1 1 A 21 21 ALA C C 21 175.731 175.328 0.403 1
1 172 . 20 1 1 A 21 21 ALA CA C 21 49.341 49.637 -0.296 1
1 173 . 20 1 1 A 21 21 ALA CB C 21 19.388 20.783 -1.395 1
1 174 . 20 1 1 A 21 21 ALA N N 21 125.054 129.218 -4.164 1
1 175 . 20 1 1 A 22 22 PRO HA H 22 4.529 4.857 -0.328 1
1 182 . 20 1 1 A 22 22 PRO C C 22 174.830 176.796 -1.966 1
1 183 . 20 1 1 A 22 22 PRO CA C 22 63.076 62.844 0.232 1
1 184 . 20 1 1 A 22 22 PRO CB C 22 32.294 31.872 0.422 1
1 187 . 20 1 1 A 23 23 THR H H 23 7.442 8.405 -0.963 1
1 188 . 20 1 1 A 23 23 THR HA H 23 4.663 4.659 0.004 1
1 193 . 20 1 1 A 23 23 THR C C 23 172.878 174.715 -1.837 1
1 194 . 20 1 1 A 23 23 THR CA C 23 59.961 61.440 -1.479 1
1 195 . 20 1 1 A 23 23 THR CB C 23 72.337 70.397 1.940 1
1 197 . 20 1 1 A 23 23 THR N N 23 109.039 118.652 -9.613 1
1 198 . 20 1 1 A 24 24 GLU H H 24 8.782 8.917 -0.135 1
1 199 . 20 1 1 A 24 24 GLU HA H 24 3.911 3.862 0.049 1
1 204 . 20 1 1 A 24 24 GLU C C 24 175.816 174.822 0.994 1
1 205 . 20 1 1 A 24 24 GLU CA C 24 56.172 57.363 -1.191 1
1 206 . 20 1 1 A 24 24 GLU CB C 24 27.761 27.829 -0.068 1
1 208 . 20 1 1 A 24 24 GLU N N 24 115.227 119.111 -3.884 1
1 209 . 20 1 1 A 25 25 VAL H H 25 8.030 7.960 0.070 1
1 210 . 20 1 1 A 25 25 VAL HA H 25 4.891 4.707 0.184 1
1 218 . 20 1 1 A 25 25 VAL C C 25 177.065 175.423 1.642 1
1 219 . 20 1 1 A 25 25 VAL CA C 25 62.446 61.706 0.740 1
1 220 . 20 1 1 A 25 25 VAL CB C 25 31.471 32.706 -1.235 1
1 223 . 20 1 1 A 25 25 VAL N N 25 119.529 119.438 0.091 1
1 224 . 20 1 1 A 26 26 GLY H H 26 8.796 8.962 -0.166 1
1 225 . 20 1 1 A 26 26 GLY HA2 H 26 4.420 4.361 0.059 1
1 226 . 20 1 1 A 26 26 GLY HA3 H 26 3.646 4.367 -0.721 1
1 227 . 20 1 1 A 26 26 GLY C C 26 170.874 172.968 -2.094 1
1 228 . 20 1 1 A 26 26 GLY CA C 26 44.468 44.471 -0.003 1
1 229 . 20 1 1 A 26 26 GLY N N 26 114.560 114.827 -0.267 1
1 230 . 20 1 1 A 27 27 VAL H H 27 8.332 8.628 -0.296 1
1 231 . 20 1 1 A 27 27 VAL HA H 27 5.508 5.222 0.286 1
1 239 . 20 1 1 A 27 27 VAL C C 27 175.652 173.528 2.124 1
1 240 . 20 1 1 A 27 27 VAL CA C 27 58.279 59.603 -1.324 1
1 241 . 20 1 1 A 27 27 VAL CB C 27 36.230 35.700 0.530 1
1 244 . 20 1 1 A 27 27 VAL N N 27 110.792 116.162 -5.370 1
1 245 . 20 1 1 A 28 28 LYS H H 28 9.143 9.580 -0.437 1
1 246 . 20 1 1 A 28 28 LYS HA H 28 4.550 5.088 -0.538 1
1 254 . 20 1 1 A 28 28 LYS C C 28 175.150 175.132 0.018 1
1 255 . 20 1 1 A 28 28 LYS CA C 28 55.396 54.689 0.707 1
1 256 . 20 1 1 A 28 28 LYS CB C 28 35.134 35.242 -0.108 1
1 260 . 20 1 1 A 28 28 LYS N N 28 123.314 125.891 -2.577 1
1 261 . 20 1 1 A 29 29 VAL H H 29 9.190 8.977 0.213 1
1 262 . 20 1 1 A 29 29 VAL HA H 29 3.939 4.060 -0.121 1
1 270 . 20 1 1 A 29 29 VAL C C 29 176.162 175.446 0.716 1
1 271 . 20 1 1 A 29 29 VAL CA C 29 64.332 63.166 1.166 1
1 272 . 20 1 1 A 29 29 VAL CB C 29 31.417 31.653 -0.236 1
1 275 . 20 1 1 A 29 29 VAL N N 29 127.176 127.300 -0.124 1
1 276 . 20 1 1 A 30 30 LEU H H 30 8.108 8.757 -0.649 1
1 277 . 20 1 1 A 30 30 LEU HA H 30 4.375 4.368 0.007 1
1 287 . 20 1 1 A 30 30 LEU C C 30 177.477 176.373 1.104 1
1 288 . 20 1 1 A 30 30 LEU CA C 30 55.886 55.968 -0.082 1
1 289 . 20 1 1 A 30 30 LEU CB C 30 42.498 42.517 -0.019 1
1 293 . 20 1 1 A 30 30 LEU N N 30 128.053 128.921 -0.868 1
1 294 . 20 1 1 A 31 31 SER H H 31 8.152 7.841 0.311 1
1 295 . 20 1 1 A 31 31 SER HA H 31 4.748 4.669 0.079 1
1 298 . 20 1 1 A 31 31 SER C C 31 173.427 174.015 -0.588 1
1 299 . 20 1 1 A 31 31 SER CA C 31 57.811 56.316 1.495 1
1 300 . 20 1 1 A 31 31 SER CB C 31 64.517 65.633 -1.116 1
1 301 . 20 1 1 A 31 31 SER N N 31 112.798 109.980 2.818 1
1 302 . 20 1 1 A 32 32 SER H H 32 8.450 8.964 -0.514 1
1 303 . 20 1 1 A 32 32 SER HA H 32 4.604 4.175 0.429 1
1 306 . 20 1 1 A 32 32 SER C C 32 172.423 175.475 -3.052 1
1 307 . 20 1 1 A 32 32 SER CA C 32 59.414 61.416 -2.002 1
1 308 . 20 1 1 A 32 32 SER CB C 32 63.903 62.926 0.977 1
1 309 . 20 1 1 A 32 32 SER N N 32 112.687 121.252 -8.565 1
1 310 . 20 1 1 A 33 33 SER H H 33 8.355 7.992 0.363 1
1 311 . 20 1 1 A 33 33 SER HA H 33 4.759 4.660 0.099 1
1 314 . 20 1 1 A 33 33 SER C C 33 173.940 173.473 0.467 1
1 315 . 20 1 1 A 33 33 SER CA C 33 57.229 57.450 -0.221 1
1 316 . 20 1 1 A 33 33 SER CB C 33 66.786 63.622 3.164 1
1 317 . 20 1 1 A 33 33 SER N N 33 109.767 114.370 -4.603 1
1 318 . 20 1 1 A 34 34 GLU H H 34 6.978 7.813 -0.835 1
1 319 . 20 1 1 A 34 34 GLU HA H 34 5.487 5.052 0.435 1
1 324 . 20 1 1 A 34 34 GLU C C 34 175.294 174.794 0.500 1
1 325 . 20 1 1 A 34 34 GLU CA C 34 55.130 54.786 0.344 1
1 326 . 20 1 1 A 34 34 GLU CB C 34 35.711 33.471 2.240 1
1 328 . 20 1 1 A 34 34 GLU N N 34 119.009 120.192 -1.183 1
1 329 . 20 1 1 A 35 35 ILE H H 35 8.190 8.226 -0.036 1
1 330 . 20 1 1 A 35 35 ILE HA H 35 4.477 4.718 -0.241 1
1 340 . 20 1 1 A 35 35 ILE C C 35 173.681 174.576 -0.895 1
1 341 . 20 1 1 A 35 35 ILE CA C 35 60.203 59.922 0.281 1
1 342 . 20 1 1 A 35 35 ILE CB C 35 43.791 42.413 1.378 1
1 346 . 20 1 1 A 35 35 ILE N N 35 120.691 123.146 -2.455 1
1 347 . 20 1 1 A 36 36 SER H H 36 9.269 8.863 0.406 1
1 348 . 20 1 1 A 36 36 SER HA H 36 5.300 5.548 -0.248 1
1 351 . 20 1 1 A 36 36 SER C C 36 172.945 173.319 -0.374 1
1 352 . 20 1 1 A 36 36 SER CA C 36 56.549 57.220 -0.671 1
1 353 . 20 1 1 A 36 36 SER CB C 36 64.591 65.386 -0.795 1
1 354 . 20 1 1 A 36 36 SER N N 36 120.471 123.280 -2.809 1
1 355 . 20 1 1 A 37 37 VAL H H 37 9.000 9.363 -0.363 1
1 356 . 20 1 1 A 37 37 VAL HA H 37 4.902 4.786 0.116 1
1 364 . 20 1 1 A 37 37 VAL C C 37 173.530 175.036 -1.506 1
1 365 . 20 1 1 A 37 37 VAL CA C 37 60.261 61.586 -1.325 1
1 366 . 20 1 1 A 37 37 VAL CB C 37 35.001 33.810 1.191 1
1 369 . 20 1 1 A 37 37 VAL N N 37 127.009 126.076 0.933 1
1 370 . 20 1 1 A 38 38 HIS H H 38 8.779 8.782 -0.003 1
1 371 . 20 1 1 A 38 38 HIS HA H 38 5.238 5.188 0.050 1
1 376 . 20 1 1 A 38 38 HIS C C 38 173.545 174.950 -1.405 1
1 377 . 20 1 1 A 38 38 HIS CA C 38 54.991 53.734 1.257 1
1 378 . 20 1 1 A 38 38 HIS CB C 38 32.564 31.986 0.578 1
1 381 . 20 1 1 A 38 38 HIS N N 38 123.115 125.007 -1.892 1
1 382 . 20 1 1 A 39 39 TRP H H 39 7.682 8.517 -0.835 1
1 383 . 20 1 1 A 39 39 TRP HA H 39 5.044 5.458 -0.414 1
1 392 . 20 1 1 A 39 39 TRP C C 39 173.585 172.951 0.634 1
1 393 . 20 1 1 A 39 39 TRP CA C 39 57.170 54.868 2.302 1
1 394 . 20 1 1 A 39 39 TRP CB C 39 31.554 32.047 -0.493 1
1 400 . 20 1 1 A 39 39 TRP N N 39 116.447 120.374 -3.927 1
1 402 . 20 1 1 A 40 40 GLU H H 40 8.522 9.174 -0.652 1
1 403 . 20 1 1 A 40 40 GLU HA H 40 4.619 5.074 -0.455 1
1 408 . 20 1 1 A 40 40 GLU C C 40 177.186 176.468 0.718 1
1 409 . 20 1 1 A 40 40 GLU CA C 40 54.356 54.733 -0.377 1
1 410 . 20 1 1 A 40 40 GLU CB C 40 30.344 32.894 -2.550 1
1 412 . 20 1 1 A 40 40 GLU N N 40 117.208 120.603 -3.395 1
1 413 . 20 1 1 A 41 41 HIS H H 41 8.477 8.808 -0.331 1
1 414 . 20 1 1 A 41 41 HIS HA H 41 4.748 4.609 0.139 1
1 419 . 20 1 1 A 41 41 HIS C C 41 177.474 176.059 1.415 1
1 420 . 20 1 1 A 41 41 HIS CA C 41 54.779 57.446 -2.667 1
1 421 . 20 1 1 A 41 41 HIS CB C 41 31.140 30.427 0.713 1
1 424 . 20 1 1 A 41 41 HIS N N 41 119.083 124.975 -5.892 1
1 425 . 20 1 1 A 42 42 VAL H H 42 7.680 8.730 -1.050 1
1 426 . 20 1 1 A 42 42 VAL HA H 42 4.428 4.562 -0.134 1
1 434 . 20 1 1 A 42 42 VAL C C 42 175.401 177.245 -1.844 1
1 435 . 20 1 1 A 42 42 VAL CA C 42 60.878 60.839 0.039 1
1 436 . 20 1 1 A 42 42 VAL CB C 42 32.216 34.231 -2.015 1
1 439 . 20 1 1 A 42 42 VAL N N 42 114.975 121.072 -6.097 1
1 440 . 20 1 1 A 43 43 LEU H H 43 9.107 9.025 0.082 1
1 441 . 20 1 1 A 43 43 LEU HA H 43 4.303 4.306 -0.003 1
1 451 . 20 1 1 A 43 43 LEU C C 43 178.603 177.188 1.415 1
1 452 . 20 1 1 A 43 43 LEU CA C 43 55.872 56.048 -0.176 1
1 453 . 20 1 1 A 43 43 LEU CB C 43 41.684 42.155 -0.471 1
1 457 . 20 1 1 A 43 43 LEU N N 43 123.877 119.074 4.803 1
1 458 . 20 1 1 A 44 44 GLU H H 44 7.988 7.591 0.397 1
1 459 . 20 1 1 A 44 44 GLU HA H 44 4.152 4.458 -0.306 1
1 464 . 20 1 1 A 44 44 GLU C C 44 177.236 176.502 0.734 1
1 465 . 20 1 1 A 44 44 GLU CA C 44 57.282 56.003 1.279 1
1 466 . 20 1 1 A 44 44 GLU CB C 44 31.033 30.099 0.934 1
1 468 . 20 1 1 A 44 44 GLU N N 44 119.655 121.590 -1.935 1
1 469 . 20 1 1 A 45 45 LYS H H 45 8.596 8.906 -0.310 1
1 470 . 20 1 1 A 45 45 LYS HA H 45 4.295 4.158 0.137 1
1 479 . 20 1 1 A 45 45 LYS C C 45 177.258 178.645 -1.387 1
1 480 . 20 1 1 A 45 45 LYS CA C 45 57.170 58.049 -0.879 1
1 481 . 20 1 1 A 45 45 LYS CB C 45 32.204 32.359 -0.155 1
1 485 . 20 1 1 A 45 45 LYS N N 45 120.518 127.385 -6.867 1
1 486 . 20 1 1 A 46 46 ILE H H 46 7.212 7.734 -0.522 1
1 487 . 20 1 1 A 46 46 ILE HA H 46 4.371 4.061 0.310 1
1 497 . 20 1 1 A 46 46 ILE C C 46 175.191 176.272 -1.081 1
1 498 . 20 1 1 A 46 46 ILE CA C 46 60.666 63.345 -2.679 1
1 499 . 20 1 1 A 46 46 ILE CB C 46 37.531 37.572 -0.041 1
1 503 . 20 1 1 A 46 46 ILE N N 46 111.434 113.091 -1.657 1
1 504 . 20 1 1 A 47 47 VAL H H 47 7.378 7.225 0.153 1
1 505 . 20 1 1 A 47 47 VAL HA H 47 3.658 3.900 -0.242 1
1 513 . 20 1 1 A 47 47 VAL C C 47 175.157 176.174 -1.017 1
1 514 . 20 1 1 A 47 47 VAL CA C 47 63.521 62.299 1.222 1
1 515 . 20 1 1 A 47 47 VAL CB C 47 33.570 31.869 1.701 1
1 518 . 20 1 1 A 47 47 VAL N N 47 122.780 121.833 0.947 1
1 519 . 20 1 1 A 48 48 GLU H H 48 8.733 8.876 -0.143 1
1 520 . 20 1 1 A 48 48 GLU HA H 48 4.615 4.008 0.607 1
1 525 . 20 1 1 A 48 48 GLU C C 48 176.241 176.462 -0.221 1
1 526 . 20 1 1 A 48 48 GLU CA C 48 56.701 59.272 -2.571 1
1 527 . 20 1 1 A 48 48 GLU CB C 48 32.966 30.119 2.847 1
1 529 . 20 1 1 A 48 48 GLU N N 48 124.835 126.777 -1.942 1
1 530 . 20 1 1 A 49 49 SER H H 49 8.130 7.571 0.559 1
1 531 . 20 1 1 A 49 49 SER HA H 49 4.726 4.386 0.340 1
1 534 . 20 1 1 A 49 49 SER C C 49 171.371 171.317 0.054 1
1 535 . 20 1 1 A 49 49 SER CA C 49 57.440 57.273 0.167 1
1 536 . 20 1 1 A 49 49 SER CB C 49 66.073 65.059 1.014 1
1 537 . 20 1 1 A 49 49 SER N N 49 114.231 110.889 3.342 1
1 538 . 20 1 1 A 50 50 TYR H H 50 8.681 8.318 0.363 1
1 539 . 20 1 1 A 50 50 TYR HA H 50 5.057 5.006 0.051 1
1 546 . 20 1 1 A 50 50 TYR C C 50 174.034 175.488 -1.454 1
1 547 . 20 1 1 A 50 50 TYR CA C 50 57.434 56.086 1.348 1
1 548 . 20 1 1 A 50 50 TYR CB C 50 41.437 39.201 2.236 1
1 553 . 20 1 1 A 50 50 TYR N N 50 115.301 119.254 -3.953 1
1 554 . 20 1 1 A 51 51 GLN H H 51 9.200 8.391 0.809 1
1 555 . 20 1 1 A 51 51 GLN HA H 51 5.144 4.767 0.377 1
1 562 . 20 1 1 A 51 51 GLN C C 51 173.878 175.719 -1.841 1
1 563 . 20 1 1 A 51 51 GLN CA C 51 53.669 55.630 -1.961 1
1 564 . 20 1 1 A 51 51 GLN CB C 51 32.783 29.361 3.422 1
1 566 . 20 1 1 A 51 51 GLN N N 51 119.842 123.096 -3.254 1
1 568 . 20 1 1 A 52 52 ILE H H 52 9.441 8.771 0.670 1
1 569 . 20 1 1 A 52 52 ILE HA H 52 4.803 4.920 -0.117 1
1 579 . 20 1 1 A 52 52 ILE C C 52 174.953 174.822 0.131 1
1 580 . 20 1 1 A 52 52 ILE CA C 52 61.054 60.546 0.508 1
1 581 . 20 1 1 A 52 52 ILE CB C 52 39.108 38.682 0.426 1
1 585 . 20 1 1 A 52 52 ILE N N 52 128.547 124.638 3.909 1
1 586 . 20 1 1 A 53 53 ARG H H 53 9.169 8.736 0.433 1
1 587 . 20 1 1 A 53 53 ARG HA H 53 5.628 4.950 0.678 1
1 594 . 20 1 1 A 53 53 ARG C C 53 174.869 175.813 -0.944 1
1 595 . 20 1 1 A 53 53 ARG CA C 53 54.479 56.335 -1.856 1
1 596 . 20 1 1 A 53 53 ARG CB C 53 33.942 30.930 3.012 1
1 599 . 20 1 1 A 53 53 ARG N N 53 127.779 129.576 -1.797 1
1 600 . 20 1 1 A 54 54 TYR H H 54 8.671 9.045 -0.374 1
1 601 . 20 1 1 A 54 54 TYR HA H 54 6.310 6.264 0.046 1
1 608 . 20 1 1 A 54 54 TYR C C 54 173.965 174.000 -0.035 1
1 609 . 20 1 1 A 54 54 TYR CA C 54 55.291 56.030 -0.739 1
1 610 . 20 1 1 A 54 54 TYR CB C 54 41.930 42.476 -0.546 1
1 615 . 20 1 1 A 54 54 TYR N N 54 117.929 121.951 -4.022 1
1 616 . 20 1 1 A 55 55 TRP H H 55 8.928 9.006 -0.078 1
1 617 . 20 1 1 A 55 55 TRP HA H 55 5.054 5.269 -0.215 1
1 626 . 20 1 1 A 55 55 TRP C C 55 172.613 174.383 -1.770 1
1 627 . 20 1 1 A 55 55 TRP CA C 55 56.577 55.842 0.735 1
1 628 . 20 1 1 A 55 55 TRP CB C 55 32.118 32.331 -0.213 1
1 634 . 20 1 1 A 55 55 TRP N N 55 121.459 118.964 2.495 1
1 636 . 20 1 1 A 56 56 ALA H H 56 8.870 8.329 0.541 1
1 637 . 20 1 1 A 56 56 ALA HA H 56 4.053 3.425 0.628 1
1 641 . 20 1 1 A 56 56 ALA C C 56 179.868 178.055 1.813 1
1 642 . 20 1 1 A 56 56 ALA CA C 56 50.478 51.977 -1.499 1
1 643 . 20 1 1 A 56 56 ALA CB C 56 19.108 18.557 0.551 1
1 644 . 20 1 1 A 56 56 ALA N N 56 124.214 123.441 0.773 1
1 645 . 20 1 1 A 57 57 ALA H H 57 8.147 8.369 -0.222 1
1 646 . 20 1 1 A 57 57 ALA HA H 57 3.913 3.992 -0.079 1
1 650 . 20 1 1 A 57 57 ALA C C 57 178.479 179.989 -1.510 1
1 651 . 20 1 1 A 57 57 ALA CA C 57 54.832 55.524 -0.692 1
1 652 . 20 1 1 A 57 57 ALA CB C 57 19.317 18.028 1.289 1
1 653 . 20 1 1 A 57 57 ALA N N 57 120.999 125.290 -4.291 1
1 654 . 20 1 1 A 58 58 HIS H H 58 7.274 7.773 -0.499 1
1 655 . 20 1 1 A 58 58 HIS HA H 58 4.605 4.298 0.307 1
1 660 . 20 1 1 A 58 58 HIS C C 58 175.349 175.653 -0.304 1
1 661 . 20 1 1 A 58 58 HIS CA C 58 56.066 59.154 -3.088 1
1 662 . 20 1 1 A 58 58 HIS CB C 58 29.780 28.705 1.075 1
1 665 . 20 1 1 A 58 58 HIS N N 58 109.961 115.060 -5.099 1
1 666 . 20 1 1 A 59 59 ASP H H 59 7.945 7.424 0.521 1
1 667 . 20 1 1 A 59 59 ASP HA H 59 4.869 4.730 0.139 1
1 670 . 20 1 1 A 59 59 ASP C C 59 175.895 175.893 0.002 1
1 671 . 20 1 1 A 59 59 ASP CA C 59 53.898 54.988 -1.090 1
1 672 . 20 1 1 A 59 59 ASP CB C 59 42.385 41.554 0.831 1
1 673 . 20 1 1 A 59 59 ASP N N 59 123.825 121.330 2.495 1
1 674 . 20 1 1 A 60 60 LYS H H 60 8.147 8.559 -0.412 1
1 675 . 20 1 1 A 60 60 LYS HA H 60 4.197 4.695 -0.498 1
1 682 . 20 1 1 A 60 60 LYS C C 60 177.212 177.280 -0.068 1
1 683 . 20 1 1 A 60 60 LYS CA C 60 56.121 54.681 1.440 1
1 684 . 20 1 1 A 60 60 LYS CB C 60 32.951 34.882 -1.931 1
1 688 . 20 1 1 A 60 60 LYS N N 60 117.803 119.635 -1.832 1
1 689 . 20 1 1 A 61 61 GLU H H 61 8.381 8.597 -0.216 1
1 690 . 20 1 1 A 61 61 GLU HA H 61 2.603 3.773 -1.170 1
1 695 . 20 1 1 A 61 61 GLU C C 61 178.058 177.187 0.871 1
1 696 . 20 1 1 A 61 61 GLU CA C 61 58.622 56.882 1.740 1
1 697 . 20 1 1 A 61 61 GLU CB C 61 28.709 29.206 -0.497 1
1 699 . 20 1 1 A 61 61 GLU N N 61 122.310 121.109 1.201 1
1 700 . 20 1 1 A 62 62 GLU H H 62 8.470 8.236 0.234 1
1 701 . 20 1 1 A 62 62 GLU HA H 62 3.919 4.374 -0.455 1
1 706 . 20 1 1 A 62 62 GLU C C 62 176.293 177.505 -1.212 1
1 707 . 20 1 1 A 62 62 GLU CA C 62 57.899 56.735 1.164 1
1 708 . 20 1 1 A 62 62 GLU CB C 62 28.796 31.029 -2.233 1
1 710 . 20 1 1 A 62 62 GLU N N 62 117.600 117.339 0.261 1
1 711 . 20 1 1 A 63 63 ALA H H 63 7.760 7.474 0.286 1
1 712 . 20 1 1 A 63 63 ALA HA H 63 4.443 4.380 0.063 1
1 716 . 20 1 1 A 63 63 ALA C C 63 176.867 176.993 -0.126 1
1 717 . 20 1 1 A 63 63 ALA CA C 63 51.095 51.543 -0.448 1
1 718 . 20 1 1 A 63 63 ALA CB C 63 18.845 18.825 0.020 1
1 719 . 20 1 1 A 63 63 ALA N N 63 123.067 120.782 2.285 1
1 720 . 20 1 1 A 64 64 ALA H H 64 7.389 7.227 0.162 1
1 721 . 20 1 1 A 64 64 ALA HA H 64 4.175 4.284 -0.109 1
1 725 . 20 1 1 A 64 64 ALA C C 64 177.784 177.419 0.365 1
1 726 . 20 1 1 A 64 64 ALA CA C 64 53.099 52.060 1.039 1
1 727 . 20 1 1 A 64 64 ALA CB C 64 19.784 18.969 0.815 1
1 728 . 20 1 1 A 64 64 ALA N N 64 121.409 121.139 0.270 1
1 729 . 20 1 1 A 65 65 ASN H H 65 8.152 7.994 0.158 1
1 730 . 20 1 1 A 65 65 ASN HA H 65 4.714 4.820 -0.106 1
1 735 . 20 1 1 A 65 65 ASN C C 65 173.533 174.378 -0.845 1
1 736 . 20 1 1 A 65 65 ASN CA C 65 52.523 52.964 -0.441 1
1 737 . 20 1 1 A 65 65 ASN CB C 65 40.739 39.324 1.415 1
1 738 . 20 1 1 A 65 65 ASN N N 65 119.620 119.914 -0.294 1
1 740 . 20 1 1 A 66 66 ARG H H 66 8.366 8.564 -0.198 1
1 741 . 20 1 1 A 66 66 ARG HA H 66 5.760 5.134 0.626 1
1 748 . 20 1 1 A 66 66 ARG C C 66 175.946 174.885 1.061 1
1 749 . 20 1 1 A 66 66 ARG CA C 66 54.902 54.522 0.380 1
1 750 . 20 1 1 A 66 66 ARG CB C 66 34.116 33.508 0.608 1
1 753 . 20 1 1 A 66 66 ARG N N 66 116.911 118.884 -1.973 1
1 754 . 20 1 1 A 67 67 VAL H H 67 9.057 8.748 0.309 1
1 755 . 20 1 1 A 67 67 VAL HA H 67 4.520 4.640 -0.120 1
1 763 . 20 1 1 A 67 67 VAL C C 67 173.731 174.532 -0.801 1
1 764 . 20 1 1 A 67 67 VAL CA C 67 60.845 61.749 -0.904 1
1 765 . 20 1 1 A 67 67 VAL CB C 67 35.917 32.703 3.214 1
1 768 . 20 1 1 A 67 67 VAL N N 67 122.047 124.916 -2.869 1
1 769 . 20 1 1 A 68 68 GLN H H 68 8.741 9.054 -0.313 1
1 770 . 20 1 1 A 68 68 GLN HA H 68 5.543 5.012 0.531 1
1 777 . 20 1 1 A 68 68 GLN C C 68 175.452 175.162 0.290 1
1 778 . 20 1 1 A 68 68 GLN CA C 68 54.462 54.593 -0.131 1
1 779 . 20 1 1 A 68 68 GLN CB C 68 32.087 31.277 0.810 1
1 781 . 20 1 1 A 68 68 GLN N N 68 124.250 128.521 -4.271 1
1 783 . 20 1 1 A 69 69 VAL H H 69 8.912 8.790 0.122 1
1 784 . 20 1 1 A 69 69 VAL HA H 69 5.012 4.917 0.095 1
1 792 . 20 1 1 A 69 69 VAL C C 69 175.870 174.644 1.226 1
1 793 . 20 1 1 A 69 69 VAL CA C 69 59.045 58.890 0.155 1
1 794 . 20 1 1 A 69 69 VAL CB C 69 35.106 35.568 -0.462 1
1 797 . 20 1 1 A 69 69 VAL N N 69 117.045 120.571 -3.526 1
1 798 . 20 1 1 A 70 70 THR H H 70 8.491 8.547 -0.056 1
1 799 . 20 1 1 A 70 70 THR HA H 70 4.585 4.277 0.308 1
1 804 . 20 1 1 A 70 70 THR C C 70 175.015 175.740 -0.725 1
1 805 . 20 1 1 A 70 70 THR CA C 70 62.917 62.605 0.312 1
1 806 . 20 1 1 A 70 70 THR CB C 70 70.767 69.108 1.659 1
1 808 . 20 1 1 A 70 70 THR N N 70 111.495 118.133 -6.638 1
1 809 . 20 1 1 A 71 71 SER H H 71 7.522 8.947 -1.425 1
1 810 . 20 1 1 A 71 71 SER HA H 71 4.148 4.299 -0.151 1
1 813 . 20 1 1 A 71 71 SER C C 71 174.340 176.801 -2.461 1
1 814 . 20 1 1 A 71 71 SER CA C 71 59.749 61.491 -1.742 1
1 815 . 20 1 1 A 71 71 SER CB C 71 63.060 62.881 0.179 1
1 816 . 20 1 1 A 71 71 SER N N 71 111.553 122.273 -10.720 1
1 817 . 20 1 1 A 72 72 GLN H H 72 7.718 7.642 0.076 1
1 818 . 20 1 1 A 72 72 GLN HA H 72 4.428 4.290 0.138 1
1 823 . 20 1 1 A 72 72 GLN C C 72 176.456 177.243 -0.787 1
1 824 . 20 1 1 A 72 72 GLN CA C 72 56.630 59.302 -2.672 1
1 825 . 20 1 1 A 72 72 GLN CB C 72 29.373 28.544 0.829 1
1 827 . 20 1 1 A 72 72 GLN N N 72 117.502 119.852 -2.350 1
1 829 . 20 1 1 A 73 73 GLU H H 73 7.650 7.609 0.041 1
1 830 . 20 1 1 A 73 73 GLU HA H 73 4.408 4.388 0.020 1
1 835 . 20 1 1 A 73 73 GLU C C 73 176.484 176.429 0.055 1
1 836 . 20 1 1 A 73 73 GLU CA C 73 56.472 56.441 0.031 1
1 837 . 20 1 1 A 73 73 GLU CB C 73 31.962 30.538 1.424 1
1 839 . 20 1 1 A 73 73 GLU N N 73 119.175 118.831 0.344 1
1 840 . 20 1 1 A 74 74 TYR H H 74 8.615 8.981 -0.366 1
1 841 . 20 1 1 A 74 74 TYR HA H 74 3.427 4.165 -0.738 1
1 848 . 20 1 1 A 74 74 TYR C C 74 171.853 175.207 -3.354 1
1 849 . 20 1 1 A 74 74 TYR CA C 74 56.565 58.722 -2.157 1
1 850 . 20 1 1 A 74 74 TYR CB C 74 39.410 38.115 1.295 1
1 855 . 20 1 1 A 74 74 TYR N N 74 118.997 126.037 -7.040 1
1 856 . 20 1 1 A 75 75 SER H H 75 6.801 7.547 -0.746 1
1 857 . 20 1 1 A 75 75 SER HA H 75 5.001 4.530 0.471 1
1 860 . 20 1 1 A 75 75 SER C C 75 172.976 172.127 0.849 1
1 861 . 20 1 1 A 75 75 SER CA C 75 56.154 56.700 -0.546 1
1 862 . 20 1 1 A 75 75 SER CB C 75 66.541 65.727 0.814 1
1 863 . 20 1 1 A 75 75 SER N N 75 109.803 111.694 -1.891 1
1 864 . 20 1 1 A 76 76 ALA H H 76 8.897 9.019 -0.122 1
1 865 . 20 1 1 A 76 76 ALA HA H 76 4.604 5.274 -0.670 1
1 869 . 20 1 1 A 76 76 ALA C C 76 174.777 175.194 -0.417 1
1 870 . 20 1 1 A 76 76 ALA CA C 76 51.359 50.724 0.635 1
1 871 . 20 1 1 A 76 76 ALA CB C 76 23.140 24.363 -1.223 1
1 872 . 20 1 1 A 76 76 ALA N N 76 120.416 122.698 -2.282 1
1 873 . 20 1 1 A 77 77 ARG H H 77 8.529 8.692 -0.163 1
1 874 . 20 1 1 A 77 77 ARG HA H 77 4.681 5.422 -0.741 1
1 881 . 20 1 1 A 77 77 ARG C C 77 174.533 173.874 0.659 1
1 882 . 20 1 1 A 77 77 ARG CA C 77 54.973 54.300 0.673 1
1 883 . 20 1 1 A 77 77 ARG CB C 77 31.839 34.060 -2.221 1
1 886 . 20 1 1 A 77 77 ARG N N 77 121.172 120.280 0.892 1
1 887 . 20 1 1 A 78 78 LEU H H 78 9.089 9.019 0.070 1
1 888 . 20 1 1 A 78 78 LEU HA H 78 4.396 5.103 -0.707 1
1 898 . 20 1 1 A 78 78 LEU C C 78 175.107 175.494 -0.387 1
1 899 . 20 1 1 A 78 78 LEU CA C 78 53.333 53.189 0.144 1
1 900 . 20 1 1 A 78 78 LEU CB C 78 41.272 45.373 -4.101 1
1 904 . 20 1 1 A 78 78 LEU N N 78 126.698 126.056 0.642 1
1 905 . 20 1 1 A 79 79 GLU H H 79 8.239 8.712 -0.473 1
1 906 . 20 1 1 A 79 79 GLU HA H 79 5.034 5.150 -0.116 1
1 911 . 20 1 1 A 79 79 GLU C C 79 174.792 175.582 -0.790 1
1 912 . 20 1 1 A 79 79 GLU CA C 79 54.056 54.403 -0.347 1
1 913 . 20 1 1 A 79 79 GLU CB C 79 33.692 33.132 0.560 1
1 915 . 20 1 1 A 79 79 GLU N N 79 119.147 121.229 -2.082 1
1 916 . 20 1 1 A 80 80 ASN H H 80 9.068 8.483 0.585 1
1 917 . 20 1 1 A 80 80 ASN HA H 80 4.303 4.268 0.035 1
1 922 . 20 1 1 A 80 80 ASN C C 80 174.823 174.026 0.797 1
1 923 . 20 1 1 A 80 80 ASN CA C 80 54.462 54.280 0.182 1
1 924 . 20 1 1 A 80 80 ASN CB C 80 37.359 36.908 0.451 1
1 925 . 20 1 1 A 80 80 ASN N N 80 113.324 116.519 -3.195 1
1 927 . 20 1 1 A 81 81 LEU H H 81 8.671 7.490 1.181 1
1 928 . 20 1 1 A 81 81 LEU HA H 81 4.252 4.776 -0.524 1
1 938 . 20 1 1 A 81 81 LEU C C 81 175.804 176.124 -0.320 1
1 939 . 20 1 1 A 81 81 LEU CA C 81 53.841 53.592 0.249 1
1 940 . 20 1 1 A 81 81 LEU CB C 81 40.891 44.062 -3.171 1
1 944 . 20 1 1 A 81 81 LEU N N 81 117.886 118.896 -1.010 1
1 945 . 20 1 1 A 82 82 LEU H H 82 8.448 8.848 -0.400 1
1 946 . 20 1 1 A 82 82 LEU HA H 82 4.600 4.683 -0.083 1
1 956 . 20 1 1 A 82 82 LEU C C 82 175.149 174.679 0.470 1
1 957 . 20 1 1 A 82 82 LEU CA C 82 52.629 53.083 -0.454 1
1 958 . 20 1 1 A 82 82 LEU CB C 82 42.449 41.546 0.903 1
1 962 . 20 1 1 A 82 82 LEU N N 82 121.118 124.004 -2.886 1
1 963 . 20 1 1 A 83 83 PRO HA H 83 5.237 4.532 0.705 1
1 970 . 20 1 1 A 83 83 PRO C C 83 178.145 177.429 0.716 1
1 971 . 20 1 1 A 83 83 PRO CA C 83 62.472 63.282 -0.810 1
1 972 . 20 1 1 A 83 83 PRO CB C 83 33.232 32.281 0.951 1
1 975 . 20 1 1 A 84 84 ASP H H 84 7.943 9.103 -1.160 1
1 976 . 20 1 1 A 84 84 ASP HA H 84 4.208 4.308 -0.100 1
1 979 . 20 1 1 A 84 84 ASP C C 84 174.476 174.739 -0.263 1
1 980 . 20 1 1 A 84 84 ASP CA C 84 54.250 55.039 -0.789 1
1 981 . 20 1 1 A 84 84 ASP CB C 84 41.568 39.523 2.045 1
1 982 . 20 1 1 A 84 84 ASP N N 84 126.496 121.588 4.908 1
1 983 . 20 1 1 A 85 85 THR H H 85 8.261 8.145 0.116 1
1 984 . 20 1 1 A 85 85 THR HA H 85 4.381 4.555 -0.174 1
1 989 . 20 1 1 A 85 85 THR C C 85 170.639 172.980 -2.341 1
1 990 . 20 1 1 A 85 85 THR CA C 85 62.951 61.331 1.620 1
1 991 . 20 1 1 A 85 85 THR CB C 85 72.217 71.312 0.905 1
1 993 . 20 1 1 A 85 85 THR N N 85 114.015 112.693 1.322 1
1 994 . 20 1 1 A 86 86 GLN H H 86 8.221 8.458 -0.237 1
1 995 . 20 1 1 A 86 86 GLN HA H 86 3.664 4.019 -0.355 1
1 1002 . 20 1 1 A 86 86 GLN C C 86 172.890 173.837 -0.947 1
1 1003 . 20 1 1 A 86 86 GLN CA C 86 54.585 55.054 -0.469 1
1 1004 . 20 1 1 A 86 86 GLN CB C 86 28.836 28.252 0.584 1
1 1006 . 20 1 1 A 86 86 GLN N N 86 127.039 126.605 0.434 1
1 1008 . 20 1 1 A 87 87 TYR H H 87 8.976 8.577 0.399 1
1 1009 . 20 1 1 A 87 87 TYR HA H 87 4.583 4.776 -0.193 1
1 1016 . 20 1 1 A 87 87 TYR C C 87 173.534 174.884 -1.350 1
1 1017 . 20 1 1 A 87 87 TYR CA C 87 57.599 56.257 1.342 1
1 1018 . 20 1 1 A 87 87 TYR CB C 87 42.344 40.181 2.163 1
1 1023 . 20 1 1 A 87 87 TYR N N 87 126.060 126.484 -0.424 1
1 1024 . 20 1 1 A 88 88 PHE H H 88 8.388 8.154 0.234 1
1 1025 . 20 1 1 A 88 88 PHE HA H 88 4.902 4.863 0.039 1
1 1033 . 20 1 1 A 88 88 PHE C C 88 175.238 175.038 0.200 1
1 1034 . 20 1 1 A 88 88 PHE CA C 88 55.872 57.410 -1.538 1
1 1035 . 20 1 1 A 88 88 PHE CB C 88 40.284 37.591 2.693 1
1 1041 . 20 1 1 A 88 88 PHE N N 88 118.991 123.105 -4.114 1
1 1042 . 20 1 1 A 89 89 ILE H H 89 8.450 8.624 -0.174 1
1 1043 . 20 1 1 A 89 89 ILE HA H 89 4.913 5.159 -0.246 1
1 1053 . 20 1 1 A 89 89 ILE C C 89 174.770 175.237 -0.467 1
1 1054 . 20 1 1 A 89 89 ILE CA C 89 60.472 60.221 0.251 1
1 1055 . 20 1 1 A 89 89 ILE CB C 89 43.167 39.236 3.931 1
1 1059 . 20 1 1 A 89 89 ILE N N 89 118.943 125.528 -6.585 1
1 1060 . 20 1 1 A 90 90 GLU H H 90 9.071 8.957 0.114 1
1 1061 . 20 1 1 A 90 90 GLU HA H 90 4.558 5.244 -0.686 1
1 1066 . 20 1 1 A 90 90 GLU C C 90 173.981 175.224 -1.243 1
1 1067 . 20 1 1 A 90 90 GLU CA C 90 54.831 54.786 0.045 1
1 1068 . 20 1 1 A 90 90 GLU CB C 90 35.052 33.244 1.808 1
1 1070 . 20 1 1 A 90 90 GLU N N 90 124.044 126.172 -2.128 1
1 1071 . 20 1 1 A 91 91 VAL H H 91 8.564 8.766 -0.202 1
1 1072 . 20 1 1 A 91 91 VAL HA H 91 4.968 4.944 0.024 1
1 1080 . 20 1 1 A 91 91 VAL C C 91 174.488 175.015 -0.527 1
1 1081 . 20 1 1 A 91 91 VAL CA C 91 60.525 60.701 -0.176 1
1 1082 . 20 1 1 A 91 91 VAL CB C 91 34.308 33.142 1.166 1
1 1085 . 20 1 1 A 91 91 VAL N N 91 121.165 124.190 -3.025 1
1 1086 . 20 1 1 A 92 92 GLY H H 92 8.941 8.344 0.597 1
1 1087 . 20 1 1 A 92 92 GLY HA2 H 92 4.571 4.305 0.266 1
1 1088 . 20 1 1 A 92 92 GLY HA3 H 92 3.581 4.306 -0.725 1
1 1089 . 20 1 1 A 92 92 GLY C C 92 171.577 172.389 -0.812 1
1 1090 . 20 1 1 A 92 92 GLY CA C 92 43.640 44.679 -1.039 1
1 1091 . 20 1 1 A 92 92 GLY N N 92 112.251 114.776 -2.525 1
1 1092 . 20 1 1 A 93 93 ALA H H 93 10.001 8.651 1.350 1
1 1093 . 20 1 1 A 93 93 ALA HA H 93 4.560 4.135 0.425 1
1 1097 . 20 1 1 A 93 93 ALA C C 93 176.786 176.944 -0.158 1
1 1098 . 20 1 1 A 93 93 ALA CA C 93 51.060 52.471 -1.411 1
1 1099 . 20 1 1 A 93 93 ALA CB C 93 21.088 18.780 2.308 1
1 1100 . 20 1 1 A 93 93 ALA N N 93 126.200 124.756 1.444 1
1 1101 . 20 1 1 A 94 94 CYS H H 94 8.739 8.302 0.437 1
1 1102 . 20 1 1 A 94 94 CYS HA H 94 5.214 4.860 0.354 1
1 1105 . 20 1 1 A 94 94 CYS C C 94 174.087 173.239 0.848 1
1 1106 . 20 1 1 A 94 94 CYS CA C 94 57.088 58.013 -0.925 1
1 1107 . 20 1 1 A 94 94 CYS CB C 94 31.345 31.291 0.054 1
1 1108 . 20 1 1 A 94 94 CYS N N 94 118.064 121.898 -3.834 1
1 1109 . 20 1 1 A 95 95 ASN H H 95 8.968 8.380 0.588 1
1 1110 . 20 1 1 A 95 95 ASN HA H 95 4.593 5.084 -0.491 1
1 1115 . 20 1 1 A 95 95 ASN C C 95 176.009 175.713 0.296 1
1 1116 . 20 1 1 A 95 95 ASN CA C 95 52.981 51.236 1.745 1
1 1117 . 20 1 1 A 95 95 ASN CB C 95 39.336 40.292 -0.956 1
1 1118 . 20 1 1 A 95 95 ASN N N 95 121.604 124.787 -3.183 1
1 1120 . 20 1 1 A 96 96 SER H H 96 8.483 9.056 -0.573 1
1 1121 . 20 1 1 A 96 96 SER HA H 96 4.085 4.046 0.039 1
1 1124 . 20 1 1 A 96 96 SER C C 96 174.700 176.549 -1.849 1
1 1125 . 20 1 1 A 96 96 SER CA C 96 61.600 61.460 0.140 1
1 1126 . 20 1 1 A 96 96 SER CB C 96 62.794 62.757 0.037 1
1 1127 . 20 1 1 A 96 96 SER N N 96 113.664 117.846 -4.182 1
1 1128 . 20 1 1 A 97 97 ALA H H 97 8.187 7.780 0.407 1
1 1129 . 20 1 1 A 97 97 ALA HA H 97 4.357 4.094 0.263 1
1 1133 . 20 1 1 A 97 97 ALA C C 97 177.600 177.307 0.293 1
1 1134 . 20 1 1 A 97 97 ALA CA C 97 52.681 55.098 -2.417 1
1 1135 . 20 1 1 A 97 97 ALA CB C 97 19.192 18.659 0.533 1
1 1136 . 20 1 1 A 97 97 ALA N N 97 123.374 121.938 1.436 1
1 1137 . 20 1 1 A 98 98 GLY H H 98 7.800 7.922 -0.122 1
1 1138 . 20 1 1 A 98 98 GLY HA2 H 98 4.444 4.064 0.380 1
1 1139 . 20 1 1 A 98 98 GLY HA3 H 98 3.840 4.065 -0.225 1
1 1140 . 20 1 1 A 98 98 GLY C C 98 171.071 171.669 -0.598 1
1 1141 . 20 1 1 A 98 98 GLY CA C 98 44.809 44.000 0.809 1
1 1142 . 20 1 1 A 98 98 GLY N N 98 106.029 104.729 1.300 1
1 1143 . 20 1 1 A 99 99 CYS H H 99 8.399 8.424 -0.025 1
1 1144 . 20 1 1 A 99 99 CYS HA H 99 4.891 5.117 -0.226 1
1 1147 . 20 1 1 A 99 99 CYS C C 99 175.557 174.575 0.982 1
1 1148 . 20 1 1 A 99 99 CYS CA C 99 57.670 57.757 -0.087 1
1 1149 . 20 1 1 A 99 99 CYS CB C 99 29.469 28.543 0.926 1
1 1150 . 20 1 1 A 99 99 CYS N N 99 117.855 120.336 -2.481 1
1 1151 . 20 1 1 A 100 100 GLY H H 100 8.930 8.930 0.000 1
1 1152 . 20 1 1 A 100 100 GLY HA2 H 100 4.282 4.200 0.082 1
1 1153 . 20 1 1 A 100 100 GLY HA3 H 100 3.764 4.205 -0.441 1
1 1154 . 20 1 1 A 100 100 GLY C C 100 170.974 173.009 -2.035 1
1 1155 . 20 1 1 A 100 100 GLY CA C 100 45.578 43.698 1.880 1
1 1156 . 20 1 1 A 100 100 GLY N N 100 113.025 114.144 -1.119 1
1 1157 . 20 1 1 A 101 101 PRO HA H 101 4.616 4.596 0.020 1
1 1164 . 20 1 1 A 101 101 PRO CA C 101 60.598 62.203 -1.605 1
1 1165 . 20 1 1 A 101 101 PRO CB C 101 30.874 31.999 -1.125 1
1 1168 . 20 1 1 A 102 102 PRO HA H 102 4.659 4.534 0.125 1
1 1175 . 20 1 1 A 102 102 PRO C C 102 178.078 176.481 1.597 1
1 1176 . 20 1 1 A 102 102 PRO CA C 102 62.111 62.285 -0.174 1
1 1177 . 20 1 1 A 102 102 PRO CB C 102 32.383 32.244 0.139 1
1 1180 . 20 1 1 A 103 103 SER H H 103 8.732 8.401 0.331 1
1 1181 . 20 1 1 A 103 103 SER HA H 103 4.222 4.651 -0.429 1
1 1184 . 20 1 1 A 103 103 SER C C 103 173.155 174.244 -1.089 1
1 1185 . 20 1 1 A 103 103 SER CA C 103 58.321 57.461 0.860 1
1 1186 . 20 1 1 A 103 103 SER CB C 103 65.815 65.541 0.274 1
1 1187 . 20 1 1 A 103 103 SER N N 103 113.387 115.002 -1.615 1
1 1188 . 20 1 1 A 104 104 ASP H H 104 8.248 8.132 0.116 1
1 1189 . 20 1 1 A 104 104 ASP HA H 104 4.472 4.554 -0.082 1
1 1192 . 20 1 1 A 104 104 ASP C C 104 176.703 175.871 0.832 1
1 1193 . 20 1 1 A 104 104 ASP CA C 104 55.573 54.362 1.211 1
1 1194 . 20 1 1 A 104 104 ASP CB C 104 40.583 42.152 -1.569 1
1 1195 . 20 1 1 A 104 104 ASP N N 104 119.021 121.545 -2.524 1
1 1196 . 20 1 1 A 105 105 MET H H 105 8.460 8.445 0.015 1
1 1197 . 20 1 1 A 105 105 MET HA H 105 4.542 4.952 -0.410 1
1 1205 . 20 1 1 A 105 105 MET C C 105 175.687 174.949 0.738 1
1 1206 . 20 1 1 A 105 105 MET CA C 105 56.348 55.346 1.002 1
1 1207 . 20 1 1 A 105 105 MET CB C 105 33.610 32.697 0.913 1
1 1210 . 20 1 1 A 105 105 MET N N 105 124.915 124.064 0.851 1
1 1211 . 20 1 1 A 106 106 ILE H H 106 8.914 8.916 -0.002 1
1 1212 . 20 1 1 A 106 106 ILE HA H 106 4.571 4.977 -0.406 1
1 1222 . 20 1 1 A 106 106 ILE C C 106 173.498 175.838 -2.340 1
1 1223 . 20 1 1 A 106 106 ILE CA C 106 59.185 60.035 -0.850 1
1 1224 . 20 1 1 A 106 106 ILE CB C 106 40.786 40.498 0.288 1
1 1228 . 20 1 1 A 106 106 ILE N N 106 126.141 127.452 -1.311 1
1 1229 . 20 1 1 A 107 107 GLU H H 107 7.999 9.023 -1.024 1
1 1230 . 20 1 1 A 107 107 GLU HA H 107 5.373 4.820 0.553 1
1 1235 . 20 1 1 A 107 107 GLU C C 107 175.263 174.993 0.270 1
1 1236 . 20 1 1 A 107 107 GLU CA C 107 53.343 54.582 -1.239 1
1 1237 . 20 1 1 A 107 107 GLU CB C 107 32.951 33.060 -0.109 1
1 1239 . 20 1 1 A 107 107 GLU N N 107 121.346 122.712 -1.366 1
1 1240 . 20 1 1 A 108 108 ALA H H 108 8.685 8.688 -0.003 1
1 1241 . 20 1 1 A 108 108 ALA HA H 108 4.549 5.627 -1.078 1
1 1245 . 20 1 1 A 108 108 ALA C C 108 174.431 175.715 -1.284 1
1 1246 . 20 1 1 A 108 108 ALA CA C 108 51.113 49.923 1.190 1
1 1247 . 20 1 1 A 108 108 ALA CB C 108 23.724 22.947 0.777 1
1 1248 . 20 1 1 A 108 108 ALA N N 108 123.009 124.480 -1.471 1
1 1249 . 20 1 1 A 109 109 PHE H H 109 8.519 9.101 -0.582 1
1 1250 . 20 1 1 A 109 109 PHE HA H 109 5.481 5.047 0.434 1
1 1258 . 20 1 1 A 109 109 PHE C C 109 177.604 175.772 1.832 1
1 1259 . 20 1 1 A 109 109 PHE CA C 109 55.854 56.528 -0.674 1
1 1260 . 20 1 1 A 109 109 PHE CB C 109 41.019 40.494 0.525 1
1 1266 . 20 1 1 A 109 109 PHE N N 109 119.997 118.250 1.747 1
1 1267 . 20 1 1 A 110 110 THR H H 110 8.839 8.971 -0.132 1
1 1268 . 20 1 1 A 110 110 THR HA H 110 4.103 4.466 -0.363 1
1 1273 . 20 1 1 A 110 110 THR C C 110 175.354 173.986 1.368 1
1 1274 . 20 1 1 A 110 110 THR CA C 110 61.763 61.911 -0.148 1
1 1275 . 20 1 1 A 110 110 THR CB C 110 69.356 70.898 -1.542 1
1 1277 . 20 1 1 A 110 110 THR N N 110 112.067 117.119 -5.052 1
1 1278 . 20 1 1 A 111 111 LYS H H 111 6.542 8.390 -1.848 1
1 1279 . 20 1 1 A 111 111 LYS HA H 111 4.208 4.705 -0.497 1
1 1288 . 20 1 1 A 111 111 LYS C C 111 176.693 176.221 0.472 1
1 1289 . 20 1 1 A 111 111 LYS CA C 111 56.383 54.417 1.966 1
1 1290 . 20 1 1 A 111 111 LYS CB C 111 33.447 34.841 -1.394 1
1 1294 . 20 1 1 A 111 111 LYS N N 111 116.497 120.125 -3.628 1
1 1295 . 20 1 1 A 112 112 LYS H H 112 8.230 8.815 -0.585 1
1 1296 . 20 1 1 A 112 112 LYS HA H 112 4.143 4.387 -0.244 1
1 1304 . 20 1 1 A 112 112 LYS C C 112 176.823 177.208 -0.385 1
1 1305 . 20 1 1 A 112 112 LYS CA C 112 57.229 56.222 1.007 1
1 1306 . 20 1 1 A 112 112 LYS CB C 112 33.528 32.204 1.324 1
1 1310 . 20 1 1 A 112 112 LYS N N 112 118.783 120.773 -1.990 1
1 1311 . 20 1 1 A 113 113 ALA H H 113 8.762 8.742 0.020 1
1 1312 . 20 1 1 A 113 113 ALA HA H 113 4.338 4.165 0.173 1
1 1316 . 20 1 1 A 113 113 ALA C C 113 177.688 178.078 -0.390 1
1 1317 . 20 1 1 A 113 113 ALA CA C 113 52.417 55.656 -3.239 1
1 1318 . 20 1 1 A 113 113 ALA CB C 113 19.272 18.624 0.648 1
1 1319 . 20 1 1 A 113 113 ALA N N 113 124.432 127.002 -2.570 1
1 1320 . 20 1 1 A 114 114 SER H H 114 8.386 8.006 0.380 1
1 1321 . 20 1 1 A 114 114 SER HA H 114 4.487 4.479 0.008 1
1 1324 . 20 1 1 A 114 114 SER C C 114 174.474 173.820 0.654 1
1 1325 . 20 1 1 A 114 114 SER CA C 114 58.063 58.855 -0.792 1
1 1326 . 20 1 1 A 114 114 SER CB C 114 64.012 63.533 0.479 1
1 1327 . 20 1 1 A 114 114 SER N N 114 115.798 112.472 3.326 1
1 1328 . 20 1 1 A 115 115 GLY H H 115 8.278 8.615 -0.337 1
1 1329 . 20 1 1 A 115 115 GLY HA2 H 115 4.172 4.176 -0.004 1
1 1330 . 20 1 1 A 115 115 GLY HA3 H 115 4.094 4.178 -0.084 1
1 1331 . 20 1 1 A 115 115 GLY C C 115 171.799 172.784 -0.985 1
1 1332 . 20 1 1 A 115 115 GLY CA C 115 44.662 44.492 0.170 1
1 1333 . 20 1 1 A 115 115 GLY N N 115 110.600 113.607 -3.007 1
1 1334 . 20 1 1 A 116 116 PRO HA H 116 4.472 4.807 -0.335 1
1 1341 . 20 1 1 A 116 116 PRO C C 116 177.440 175.704 1.736 1
1 1342 . 20 1 1 A 116 116 PRO CA C 116 63.275 62.695 0.580 1
1 1343 . 20 1 1 A 116 116 PRO CB C 116 32.169 32.449 -0.280 1
1 1346 . 20 1 1 A 117 117 SER HA H 117 4.505 4.869 -0.364 1
1 1348 . 20 1 1 A 117 117 SER C C 117 174.652 172.726 1.926 1
1 1349 . 20 1 1 A 117 117 SER CA C 117 58.393 57.935 0.458 1
1 1350 . 20 1 1 A 117 117 SER CB C 117 63.899 67.296 -3.397 1
1 1351 . 20 1 1 A 117 117 SER N N 117 116.140 117.269 -1.129 1
1 1352 . 20 1 1 A 118 118 SER H H 118 8.314 8.564 -0.250 1
1 1353 . 20 1 1 A 118 118 SER HA H 118 4.494 4.746 -0.252 1
1 1355 . 20 1 1 A 118 118 SER C C 118 173.938 174.121 -0.183 1
1 1356 . 20 1 1 A 118 118 SER CA C 118 58.428 57.549 0.879 1
1 1357 . 20 1 1 A 118 118 SER CB C 118 63.929 62.518 1.411 1
1 1358 . 20 1 1 A 118 118 SER N N 118 117.760 118.144 -0.384 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 111 1.120 1
2 1 1 1 "RMS(OBS, PRED)" CA 114 1.234 1
3 1 1 1 "RMS(OBS, PRED)" CB 107 1.453 1
4 1 1 1 "RMS(OBS, PRED)" H 105 0.509 1
5 1 1 1 "RMS(OBS, PRED)" HA 121 0.361 1
6 1 1 1 "RMS(OBS, PRED)" N 106 3.159 1
7 1 2 1 "RMS(OBS, PRED)" C 111 1.178 1
8 1 2 1 "RMS(OBS, PRED)" CA 114 1.254 1
9 1 2 1 "RMS(OBS, PRED)" CB 107 1.546 1
10 1 2 1 "RMS(OBS, PRED)" H 105 0.509 1
11 1 2 1 "RMS(OBS, PRED)" HA 121 0.384 1
12 1 2 1 "RMS(OBS, PRED)" N 106 3.237 1
13 1 3 1 "RMS(OBS, PRED)" C 111 1.085 1
14 1 3 1 "RMS(OBS, PRED)" CA 114 1.251 1
15 1 3 1 "RMS(OBS, PRED)" CB 107 1.517 1
16 1 3 1 "RMS(OBS, PRED)" H 105 0.542 1
17 1 3 1 "RMS(OBS, PRED)" HA 121 0.357 1
18 1 3 1 "RMS(OBS, PRED)" N 106 3.275 1
19 1 4 1 "RMS(OBS, PRED)" C 111 1.116 1
20 1 4 1 "RMS(OBS, PRED)" CA 114 1.168 1
21 1 4 1 "RMS(OBS, PRED)" CB 107 1.534 1
22 1 4 1 "RMS(OBS, PRED)" H 105 0.535 1
23 1 4 1 "RMS(OBS, PRED)" HA 121 0.353 1
24 1 4 1 "RMS(OBS, PRED)" N 106 3.220 1
25 1 5 1 "RMS(OBS, PRED)" C 111 1.099 1
26 1 5 1 "RMS(OBS, PRED)" CA 114 1.177 1
27 1 5 1 "RMS(OBS, PRED)" CB 107 1.589 1
28 1 5 1 "RMS(OBS, PRED)" H 105 0.526 1
29 1 5 1 "RMS(OBS, PRED)" HA 121 0.363 1
30 1 5 1 "RMS(OBS, PRED)" N 106 3.258 1
31 1 6 1 "RMS(OBS, PRED)" C 111 1.118 1
32 1 6 1 "RMS(OBS, PRED)" CA 114 1.265 1
33 1 6 1 "RMS(OBS, PRED)" CB 107 1.551 1
34 1 6 1 "RMS(OBS, PRED)" H 105 0.530 1
35 1 6 1 "RMS(OBS, PRED)" HA 121 0.399 1
36 1 6 1 "RMS(OBS, PRED)" N 106 3.241 1
37 1 7 1 "RMS(OBS, PRED)" C 111 1.079 1
38 1 7 1 "RMS(OBS, PRED)" CA 114 1.184 1
39 1 7 1 "RMS(OBS, PRED)" CB 107 1.617 1
40 1 7 1 "RMS(OBS, PRED)" H 105 0.511 1
41 1 7 1 "RMS(OBS, PRED)" HA 121 0.378 1
42 1 7 1 "RMS(OBS, PRED)" N 106 3.401 1
43 1 8 1 "RMS(OBS, PRED)" C 111 1.103 1
44 1 8 1 "RMS(OBS, PRED)" CA 114 1.165 1
45 1 8 1 "RMS(OBS, PRED)" CB 107 1.527 1
46 1 8 1 "RMS(OBS, PRED)" H 105 0.555 1
47 1 8 1 "RMS(OBS, PRED)" HA 121 0.396 1
48 1 8 1 "RMS(OBS, PRED)" N 106 3.223 1
49 1 9 1 "RMS(OBS, PRED)" C 111 1.166 1
50 1 9 1 "RMS(OBS, PRED)" CA 114 1.300 1
51 1 9 1 "RMS(OBS, PRED)" CB 107 1.720 1
52 1 9 1 "RMS(OBS, PRED)" H 105 0.522 1
53 1 9 1 "RMS(OBS, PRED)" HA 121 0.361 1
54 1 9 1 "RMS(OBS, PRED)" N 106 3.504 1
55 1 10 1 "RMS(OBS, PRED)" C 111 1.147 1
56 1 10 1 "RMS(OBS, PRED)" CA 114 1.299 1
57 1 10 1 "RMS(OBS, PRED)" CB 107 1.436 1
58 1 10 1 "RMS(OBS, PRED)" H 105 0.523 1
59 1 10 1 "RMS(OBS, PRED)" HA 121 0.363 1
60 1 10 1 "RMS(OBS, PRED)" N 106 3.120 1
61 1 11 1 "RMS(OBS, PRED)" C 111 1.087 1
62 1 11 1 "RMS(OBS, PRED)" CA 114 1.120 1
63 1 11 1 "RMS(OBS, PRED)" CB 107 1.545 1
64 1 11 1 "RMS(OBS, PRED)" H 105 0.537 1
65 1 11 1 "RMS(OBS, PRED)" HA 121 0.349 1
66 1 11 1 "RMS(OBS, PRED)" N 106 3.167 1
67 1 12 1 "RMS(OBS, PRED)" C 111 1.106 1
68 1 12 1 "RMS(OBS, PRED)" CA 114 1.133 1
69 1 12 1 "RMS(OBS, PRED)" CB 107 1.562 1
70 1 12 1 "RMS(OBS, PRED)" H 105 0.510 1
71 1 12 1 "RMS(OBS, PRED)" HA 121 0.370 1
72 1 12 1 "RMS(OBS, PRED)" N 106 3.454 1
73 1 13 1 "RMS(OBS, PRED)" C 111 1.205 1
74 1 13 1 "RMS(OBS, PRED)" CA 114 1.139 1
75 1 13 1 "RMS(OBS, PRED)" CB 107 1.552 1
76 1 13 1 "RMS(OBS, PRED)" H 105 0.546 1
77 1 13 1 "RMS(OBS, PRED)" HA 121 0.383 1
78 1 13 1 "RMS(OBS, PRED)" N 106 3.295 1
79 1 14 1 "RMS(OBS, PRED)" C 111 1.088 1
80 1 14 1 "RMS(OBS, PRED)" CA 114 1.158 1
81 1 14 1 "RMS(OBS, PRED)" CB 107 1.601 1
82 1 14 1 "RMS(OBS, PRED)" H 105 0.509 1
83 1 14 1 "RMS(OBS, PRED)" HA 121 0.346 1
84 1 14 1 "RMS(OBS, PRED)" N 106 3.025 1
85 1 15 1 "RMS(OBS, PRED)" C 111 1.143 1
86 1 15 1 "RMS(OBS, PRED)" CA 114 1.282 1
87 1 15 1 "RMS(OBS, PRED)" CB 107 1.592 1
88 1 15 1 "RMS(OBS, PRED)" H 105 0.517 1
89 1 15 1 "RMS(OBS, PRED)" HA 121 0.368 1
90 1 15 1 "RMS(OBS, PRED)" N 106 3.161 1
91 1 16 1 "RMS(OBS, PRED)" C 111 1.095 1
92 1 16 1 "RMS(OBS, PRED)" CA 114 1.202 1
93 1 16 1 "RMS(OBS, PRED)" CB 107 1.530 1
94 1 16 1 "RMS(OBS, PRED)" H 105 0.525 1
95 1 16 1 "RMS(OBS, PRED)" HA 121 0.370 1
96 1 16 1 "RMS(OBS, PRED)" N 106 3.306 1
97 1 17 1 "RMS(OBS, PRED)" C 111 1.118 1
98 1 17 1 "RMS(OBS, PRED)" CA 114 1.219 1
99 1 17 1 "RMS(OBS, PRED)" CB 107 1.593 1
100 1 17 1 "RMS(OBS, PRED)" H 105 0.516 1
101 1 17 1 "RMS(OBS, PRED)" HA 121 0.357 1
102 1 17 1 "RMS(OBS, PRED)" N 106 3.549 1
103 1 18 1 "RMS(OBS, PRED)" C 111 1.139 1
104 1 18 1 "RMS(OBS, PRED)" CA 114 1.147 1
105 1 18 1 "RMS(OBS, PRED)" CB 107 1.532 1
106 1 18 1 "RMS(OBS, PRED)" H 105 0.510 1
107 1 18 1 "RMS(OBS, PRED)" HA 121 0.350 1
108 1 18 1 "RMS(OBS, PRED)" N 106 3.312 1
109 1 19 1 "RMS(OBS, PRED)" C 111 1.100 1
110 1 19 1 "RMS(OBS, PRED)" CA 114 1.173 1
111 1 19 1 "RMS(OBS, PRED)" CB 107 1.548 1
112 1 19 1 "RMS(OBS, PRED)" H 105 0.525 1
113 1 19 1 "RMS(OBS, PRED)" HA 121 0.360 1
114 1 19 1 "RMS(OBS, PRED)" N 106 3.384 1
115 1 20 1 "RMS(OBS, PRED)" C 111 1.179 1
116 1 20 1 "RMS(OBS, PRED)" CA 114 1.243 1
117 1 20 1 "RMS(OBS, PRED)" CB 107 1.632 1
118 1 20 1 "RMS(OBS, PRED)" H 105 0.513 1
119 1 20 1 "RMS(OBS, PRED)" HA 121 0.379 1
120 1 20 1 "RMS(OBS, PRED)" N 106 3.489 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 6 . 1 1 A 4 4 GLY H H 4 8.507 8.498 0.009 2
1 7 . 1 1 A 4 4 GLY HA2 H 4 4.513 4.156 0.357 2
1 8 . 1 1 A 4 4 GLY HA3 H 4 3.859 4.157 -0.298 2
1 9 . 1 1 A 4 4 GLY CA C 4 44.199 45.109 -0.910 2
1 10 . 1 1 A 4 4 GLY N N 4 116.148 110.444 5.704 2
1 11 . 1 1 A 6 6 SER HA H 6 4.472 4.757 -0.285 2
1 13 . 1 1 A 6 6 SER C C 6 174.998 173.910 1.088 2
1 14 . 1 1 A 6 6 SER CA C 6 58.657 57.826 0.831 2
1 15 . 1 1 A 6 6 SER CB C 6 64.025 64.442 -0.417 2
1 16 . 1 1 A 7 7 GLY H H 7 8.399 8.508 -0.109 2
1 17 . 1 1 A 7 7 GLY HA2 H 7 3.963 4.028 -0.065 2
1 18 . 1 1 A 7 7 GLY HA3 H 7 3.963 4.028 -0.065 2
1 19 . 1 1 A 7 7 GLY C C 7 173.942 173.696 0.246 2
1 20 . 1 1 A 7 7 GLY CA C 7 45.332 46.186 -0.854 2
1 21 . 1 1 A 7 7 GLY N N 7 110.856 110.298 0.558 2
1 22 . 1 1 A 8 8 VAL H H 8 7.919 8.162 -0.243 2
1 23 . 1 1 A 8 8 VAL HA H 8 4.101 4.252 -0.151 2
1 31 . 1 1 A 8 8 VAL C C 8 175.827 175.416 0.411 2
1 32 . 1 1 A 8 8 VAL CA C 8 61.987 62.303 -0.316 2
1 33 . 1 1 A 8 8 VAL CB C 8 32.786 32.382 0.404 2
1 36 . 1 1 A 8 8 VAL N N 8 119.305 121.168 -1.863 2
1 37 . 1 1 A 9 9 ALA H H 9 8.367 8.533 -0.166 2
1 38 . 1 1 A 9 9 ALA HA H 9 4.329 4.796 -0.467 2
1 42 . 1 1 A 9 9 ALA C C 9 177.422 176.136 1.286 2
1 43 . 1 1 A 9 9 ALA CA C 9 52.399 51.681 0.718 2
1 44 . 1 1 A 9 9 ALA CB C 9 19.317 21.454 -2.137 2
1 45 . 1 1 A 9 9 ALA N N 9 128.175 127.507 0.668 2
1 46 . 1 1 A 10 10 VAL H H 10 8.154 8.639 -0.485 2
1 47 . 1 1 A 10 10 VAL HA H 10 4.046 4.420 -0.374 2
1 55 . 1 1 A 10 10 VAL C C 10 176.076 175.830 0.246 2
1 56 . 1 1 A 10 10 VAL CA C 10 62.288 61.215 1.073 2
1 57 . 1 1 A 10 10 VAL CB C 10 32.786 33.320 -0.534 2
1 60 . 1 1 A 10 10 VAL N N 10 120.641 120.152 0.489 2
1 61 . 1 1 A 11 11 ILE H H 11 8.261 8.578 -0.317 2
1 62 . 1 1 A 11 11 ILE HA H 11 4.148 4.214 -0.066 2
1 72 . 1 1 A 11 11 ILE C C 11 175.857 175.717 0.140 2
1 73 . 1 1 A 11 11 ILE CA C 11 60.842 61.473 -0.631 2
1 74 . 1 1 A 11 11 ILE CB C 11 38.776 38.281 0.495 2
1 78 . 1 1 A 11 11 ILE N N 11 125.253 124.524 0.729 2
1 79 . 1 1 A 12 12 ASN H H 12 8.575 8.509 0.066 2
1 80 . 1 1 A 12 12 ASN HA H 12 4.737 4.951 -0.214 2
1 85 . 1 1 A 12 12 ASN C C 12 175.004 174.800 0.204 2
1 86 . 1 1 A 12 12 ASN CA C 12 53.087 53.177 -0.090 2
1 87 . 1 1 A 12 12 ASN CB C 12 39.076 39.904 -0.828 2
1 88 . 1 1 A 12 12 ASN N N 12 123.538 123.507 0.031 2
1 90 . 1 1 A 13 13 SER H H 13 8.317 8.532 -0.215 2
1 91 . 1 1 A 13 13 SER HA H 13 4.373 4.799 -0.426 2
1 94 . 1 1 A 13 13 SER C C 13 174.118 173.329 0.789 2
1 95 . 1 1 A 13 13 SER CA C 13 58.375 57.847 0.528 2
1 96 . 1 1 A 13 13 SER CB C 13 63.866 64.469 -0.603 2
1 97 . 1 1 A 13 13 SER N N 13 116.982 117.451 -0.469 2
1 98 . 1 1 A 14 14 ALA H H 14 8.317 8.356 -0.039 2
1 99 . 1 1 A 14 14 ALA HA H 14 4.285 4.722 -0.437 2
1 103 . 1 1 A 14 14 ALA C C 14 177.298 177.423 -0.125 2
1 104 . 1 1 A 14 14 ALA CA C 14 52.628 51.068 1.560 2
1 105 . 1 1 A 14 14 ALA CB C 14 19.192 22.236 -3.044 2
1 106 . 1 1 A 14 14 ALA N N 14 125.606 125.343 0.263 2
1 107 . 1 1 A 15 15 GLN H H 15 8.221 8.720 -0.499 2
1 108 . 1 1 A 15 15 GLN HA H 15 4.237 4.277 -0.040 2
1 115 . 1 1 A 15 15 GLN C C 15 174.741 175.246 -0.505 2
1 116 . 1 1 A 15 15 GLN CA C 15 55.925 57.603 -1.678 2
1 117 . 1 1 A 15 15 GLN CB C 15 29.990 29.030 0.960 2
1 119 . 1 1 A 15 15 GLN N N 15 119.248 119.039 0.209 2
1 121 . 1 1 A 16 16 ASP H H 16 7.898 7.751 0.147 2
1 122 . 1 1 A 16 16 ASP HA H 16 4.714 5.030 -0.316 2
1 125 . 1 1 A 16 16 ASP C C 16 175.219 173.864 1.355 2
1 126 . 1 1 A 16 16 ASP CA C 16 53.387 53.270 0.117 2
1 127 . 1 1 A 16 16 ASP CB C 16 42.771 44.474 -1.703 2
1 128 . 1 1 A 16 16 ASP N N 16 119.674 118.011 1.663 2
1 129 . 1 1 A 17 17 ALA H H 17 8.256 8.367 -0.111 2
1 130 . 1 1 A 17 17 ALA HA H 17 4.549 4.802 -0.253 2
1 134 . 1 1 A 17 17 ALA C C 17 174.226 174.136 0.090 2
1 135 . 1 1 A 17 17 ALA CA C 17 50.514 49.927 0.587 2
1 136 . 1 1 A 17 17 ALA CB C 17 16.689 22.361 -5.672 2
1 137 . 1 1 A 17 17 ALA N N 17 123.830 122.045 1.785 2
1 138 . 1 1 A 18 18 PRO HA H 18 4.247 4.836 -0.589 2
1 145 . 1 1 A 18 18 PRO CA C 18 63.135 62.758 0.377 2
1 146 . 1 1 A 18 18 PRO CB C 18 31.866 31.976 -0.110 2
1 149 . 1 1 A 19 19 SER HA H 19 4.524 4.604 -0.080 2
1 152 . 1 1 A 19 19 SER C C 19 173.934 174.078 -0.144 2
1 153 . 1 1 A 19 19 SER CA C 19 58.657 58.516 0.141 2
1 154 . 1 1 A 19 19 SER CB C 19 65.246 64.949 0.297 2
1 155 . 1 1 A 20 20 GLU H H 20 7.589 7.702 -0.113 2
1 156 . 1 1 A 20 20 GLU HA H 20 4.604 4.816 -0.212 2
1 161 . 1 1 A 20 20 GLU C C 20 175.082 175.100 -0.018 2
1 162 . 1 1 A 20 20 GLU CA C 20 54.762 55.532 -0.770 2
1 163 . 1 1 A 20 20 GLU CB C 20 33.405 31.899 1.506 2
1 165 . 1 1 A 20 20 GLU N N 20 121.739 121.455 0.284 2
1 166 . 1 1 A 21 21 ALA H H 21 8.564 8.779 -0.215 2
1 167 . 1 1 A 21 21 ALA HA H 21 4.995 4.917 0.078 2
1 171 . 1 1 A 21 21 ALA C C 21 175.731 175.140 0.591 2
1 172 . 1 1 A 21 21 ALA CA C 21 49.341 49.644 -0.303 2
1 173 . 1 1 A 21 21 ALA CB C 21 19.388 21.197 -1.809 2
1 174 . 1 1 A 21 21 ALA N N 21 125.054 127.483 -2.429 2
1 175 . 1 1 A 22 22 PRO HA H 22 4.529 4.889 -0.360 2
1 182 . 1 1 A 22 22 PRO C C 22 174.830 176.758 -1.928 2
1 183 . 1 1 A 22 22 PRO CA C 22 63.076 62.763 0.313 2
1 184 . 1 1 A 22 22 PRO CB C 22 32.294 31.584 0.710 2
1 187 . 1 1 A 23 23 THR H H 23 7.442 8.465 -1.023 2
1 188 . 1 1 A 23 23 THR HA H 23 4.663 4.618 0.045 2
1 193 . 1 1 A 23 23 THR C C 23 172.878 174.715 -1.837 2
1 194 . 1 1 A 23 23 THR CA C 23 59.961 61.514 -1.553 2
1 195 . 1 1 A 23 23 THR CB C 23 72.337 70.124 2.213 2
1 197 . 1 1 A 23 23 THR N N 23 109.039 118.240 -9.202 2
1 198 . 1 1 A 24 24 GLU H H 24 8.782 8.924 -0.142 2
1 199 . 1 1 A 24 24 GLU HA H 24 3.911 3.853 0.058 2
1 204 . 1 1 A 24 24 GLU C C 24 175.816 175.157 0.659 2
1 205 . 1 1 A 24 24 GLU CA C 24 56.172 57.235 -1.063 2
1 206 . 1 1 A 24 24 GLU CB C 24 27.761 27.839 -0.078 2
1 208 . 1 1 A 24 24 GLU N N 24 115.227 119.349 -4.122 2
1 209 . 1 1 A 25 25 VAL H H 25 8.030 7.983 0.047 2
1 210 . 1 1 A 25 25 VAL HA H 25 4.891 4.604 0.287 2
1 218 . 1 1 A 25 25 VAL C C 25 177.065 175.428 1.637 2
1 219 . 1 1 A 25 25 VAL CA C 25 62.446 61.726 0.720 2
1 220 . 1 1 A 25 25 VAL CB C 25 31.471 33.021 -1.550 2
1 223 . 1 1 A 25 25 VAL N N 25 119.529 119.175 0.354 2
1 224 . 1 1 A 26 26 GLY H H 26 8.796 8.721 0.075 2
1 225 . 1 1 A 26 26 GLY HA2 H 26 4.420 4.414 0.006 2
1 226 . 1 1 A 26 26 GLY HA3 H 26 3.646 4.421 -0.775 2
1 227 . 1 1 A 26 26 GLY C C 26 170.874 173.103 -2.229 2
1 228 . 1 1 A 26 26 GLY CA C 26 44.468 44.516 -0.047 2
1 229 . 1 1 A 26 26 GLY N N 26 114.560 114.307 0.253 2
1 230 . 1 1 A 27 27 VAL H H 27 8.332 8.776 -0.444 2
1 231 . 1 1 A 27 27 VAL HA H 27 5.508 5.200 0.308 2
1 239 . 1 1 A 27 27 VAL C C 27 175.652 173.770 1.882 2
1 240 . 1 1 A 27 27 VAL CA C 27 58.279 59.667 -1.388 2
1 241 . 1 1 A 27 27 VAL CB C 27 36.230 35.179 1.051 2
1 244 . 1 1 A 27 27 VAL N N 27 110.792 116.454 -5.662 2
1 245 . 1 1 A 28 28 LYS H H 28 9.143 9.430 -0.287 2
1 246 . 1 1 A 28 28 LYS HA H 28 4.550 5.073 -0.523 2
1 254 . 1 1 A 28 28 LYS C C 28 175.150 175.331 -0.181 2
1 255 . 1 1 A 28 28 LYS CA C 28 55.396 54.781 0.615 2
1 256 . 1 1 A 28 28 LYS CB C 28 35.134 35.167 -0.033 2
1 260 . 1 1 A 28 28 LYS N N 28 123.314 125.338 -2.024 2
1 261 . 1 1 A 29 29 VAL H H 29 9.190 8.958 0.232 2
1 262 . 1 1 A 29 29 VAL HA H 29 3.939 4.128 -0.189 2
1 270 . 1 1 A 29 29 VAL C C 29 176.162 175.488 0.674 2
1 271 . 1 1 A 29 29 VAL CA C 29 64.332 62.877 1.455 2
1 272 . 1 1 A 29 29 VAL CB C 29 31.417 31.239 0.178 2
1 275 . 1 1 A 29 29 VAL N N 29 127.176 126.929 0.247 2
1 276 . 1 1 A 30 30 LEU H H 30 8.108 8.634 -0.526 2
1 277 . 1 1 A 30 30 LEU HA H 30 4.375 4.236 0.139 2
1 287 . 1 1 A 30 30 LEU C C 30 177.477 176.764 0.713 2
1 288 . 1 1 A 30 30 LEU CA C 30 55.886 56.495 -0.609 2
1 289 . 1 1 A 30 30 LEU CB C 30 42.498 42.487 0.011 2
1 293 . 1 1 A 30 30 LEU N N 30 128.053 129.658 -1.605 2
1 294 . 1 1 A 31 31 SER H H 31 8.152 7.920 0.232 2
1 295 . 1 1 A 31 31 SER HA H 31 4.748 4.749 -0.001 2
1 298 . 1 1 A 31 31 SER C C 31 173.427 174.366 -0.939 2
1 299 . 1 1 A 31 31 SER CA C 31 57.811 56.974 0.837 2
1 300 . 1 1 A 31 31 SER CB C 31 64.517 66.366 -1.849 2
1 301 . 1 1 A 31 31 SER N N 31 112.798 111.441 1.357 2
1 302 . 1 1 A 32 32 SER H H 32 8.450 8.739 -0.289 2
1 303 . 1 1 A 32 32 SER HA H 32 4.604 4.225 0.379 2
1 306 . 1 1 A 32 32 SER C C 32 172.423 175.102 -2.679 2
1 307 . 1 1 A 32 32 SER CA C 32 59.414 61.298 -1.884 2
1 308 . 1 1 A 32 32 SER CB C 32 63.903 62.684 1.219 2
1 309 . 1 1 A 32 32 SER N N 32 112.687 118.308 -5.620 2
1 310 . 1 1 A 33 33 SER H H 33 8.355 7.920 0.435 2
1 311 . 1 1 A 33 33 SER HA H 33 4.759 4.623 0.136 2
1 314 . 1 1 A 33 33 SER C C 33 173.940 172.855 1.085 2
1 315 . 1 1 A 33 33 SER CA C 33 57.229 57.483 -0.254 2
1 316 . 1 1 A 33 33 SER CB C 33 66.786 63.930 2.856 2
1 317 . 1 1 A 33 33 SER N N 33 109.767 113.433 -3.665 2
1 318 . 1 1 A 34 34 GLU H H 34 6.978 7.672 -0.694 2
1 319 . 1 1 A 34 34 GLU HA H 34 5.487 5.086 0.401 2
1 324 . 1 1 A 34 34 GLU C C 34 175.294 174.822 0.472 2
1 325 . 1 1 A 34 34 GLU CA C 34 55.130 55.009 0.121 2
1 326 . 1 1 A 34 34 GLU CB C 34 35.711 33.161 2.550 2
1 328 . 1 1 A 34 34 GLU N N 34 119.009 119.337 -0.328 2
1 329 . 1 1 A 35 35 ILE H H 35 8.190 8.432 -0.242 2
1 330 . 1 1 A 35 35 ILE HA H 35 4.477 4.819 -0.342 2
1 340 . 1 1 A 35 35 ILE C C 35 173.681 174.106 -0.425 2
1 341 . 1 1 A 35 35 ILE CA C 35 60.203 60.159 0.044 2
1 342 . 1 1 A 35 35 ILE CB C 35 43.791 41.730 2.061 2
1 346 . 1 1 A 35 35 ILE N N 35 120.691 123.567 -2.876 2
1 347 . 1 1 A 36 36 SER H H 36 9.269 8.988 0.281 2
1 348 . 1 1 A 36 36 SER HA H 36 5.300 5.256 0.044 2
1 351 . 1 1 A 36 36 SER C C 36 172.945 173.420 -0.475 2
1 352 . 1 1 A 36 36 SER CA C 36 56.549 57.092 -0.543 2
1 353 . 1 1 A 36 36 SER CB C 36 64.591 64.662 -0.071 2
1 354 . 1 1 A 36 36 SER N N 36 120.471 122.902 -2.431 2
1 355 . 1 1 A 37 37 VAL H H 37 9.000 8.899 0.101 2
1 356 . 1 1 A 37 37 VAL HA H 37 4.902 4.591 0.311 2
1 364 . 1 1 A 37 37 VAL C C 37 173.530 174.976 -1.446 2
1 365 . 1 1 A 37 37 VAL CA C 37 60.261 61.545 -1.284 2
1 366 . 1 1 A 37 37 VAL CB C 37 35.001 33.466 1.535 2
1 369 . 1 1 A 37 37 VAL N N 37 127.009 125.694 1.315 2
1 370 . 1 1 A 38 38 HIS H H 38 8.779 8.833 -0.054 2
1 371 . 1 1 A 38 38 HIS HA H 38 5.238 5.027 0.211 2
1 376 . 1 1 A 38 38 HIS C C 38 173.545 174.993 -1.448 2
1 377 . 1 1 A 38 38 HIS CA C 38 54.991 54.421 0.570 2
1 378 . 1 1 A 38 38 HIS CB C 38 32.564 31.954 0.610 2
1 381 . 1 1 A 38 38 HIS N N 38 123.115 125.239 -2.124 2
1 382 . 1 1 A 39 39 TRP H H 39 7.682 8.329 -0.647 2
1 383 . 1 1 A 39 39 TRP HA H 39 5.044 5.366 -0.322 2
1 392 . 1 1 A 39 39 TRP C C 39 173.585 173.077 0.508 2
1 393 . 1 1 A 39 39 TRP CA C 39 57.170 55.091 2.079 2
1 394 . 1 1 A 39 39 TRP CB C 39 31.554 31.938 -0.384 2
1 400 . 1 1 A 39 39 TRP N N 39 116.447 120.256 -3.809 2
1 402 . 1 1 A 40 40 GLU H H 40 8.522 8.818 -0.296 2
1 403 . 1 1 A 40 40 GLU HA H 40 4.619 4.835 -0.216 2
1 408 . 1 1 A 40 40 GLU C C 40 177.186 176.746 0.440 2
1 409 . 1 1 A 40 40 GLU CA C 40 54.356 55.157 -0.801 2
1 410 . 1 1 A 40 40 GLU CB C 40 30.344 31.771 -1.427 2
1 412 . 1 1 A 40 40 GLU N N 40 117.208 120.903 -3.695 2
1 413 . 1 1 A 41 41 HIS H H 41 8.477 8.810 -0.333 2
1 414 . 1 1 A 41 41 HIS HA H 41 4.748 4.774 -0.026 2
1 419 . 1 1 A 41 41 HIS C C 41 177.474 175.864 1.610 2
1 420 . 1 1 A 41 41 HIS CA C 41 54.779 57.100 -2.321 2
1 421 . 1 1 A 41 41 HIS CB C 41 31.140 30.476 0.664 2
1 424 . 1 1 A 41 41 HIS N N 41 119.083 124.561 -5.478 2
1 425 . 1 1 A 42 42 VAL H H 42 7.680 8.507 -0.827 2
1 426 . 1 1 A 42 42 VAL HA H 42 4.428 4.434 -0.006 2
1 434 . 1 1 A 42 42 VAL C C 42 175.401 177.231 -1.830 2
1 435 . 1 1 A 42 42 VAL CA C 42 60.878 61.603 -0.725 2
1 436 . 1 1 A 42 42 VAL CB C 42 32.216 33.394 -1.177 2
1 439 . 1 1 A 42 42 VAL N N 42 114.975 122.561 -7.587 2
1 440 . 1 1 A 43 43 LEU H H 43 9.107 8.771 0.335 2
1 441 . 1 1 A 43 43 LEU HA H 43 4.303 4.178 0.125 2
1 451 . 1 1 A 43 43 LEU C C 43 178.603 177.310 1.293 2
1 452 . 1 1 A 43 43 LEU CA C 43 55.872 57.183 -1.311 2
1 453 . 1 1 A 43 43 LEU CB C 43 41.684 41.816 -0.132 2
1 457 . 1 1 A 43 43 LEU N N 43 123.877 121.794 2.083 2
1 458 . 1 1 A 44 44 GLU H H 44 7.988 7.727 0.261 2
1 459 . 1 1 A 44 44 GLU HA H 44 4.152 4.468 -0.316 2
1 464 . 1 1 A 44 44 GLU C C 44 177.236 176.387 0.849 2
1 465 . 1 1 A 44 44 GLU CA C 44 57.282 55.985 1.297 2
1 466 . 1 1 A 44 44 GLU CB C 44 31.033 29.937 1.096 2
1 468 . 1 1 A 44 44 GLU N N 44 119.655 121.016 -1.361 2
1 469 . 1 1 A 45 45 LYS H H 45 8.596 8.759 -0.163 2
1 470 . 1 1 A 45 45 LYS HA H 45 4.295 4.351 -0.056 2
1 479 . 1 1 A 45 45 LYS C C 45 177.258 177.812 -0.554 2
1 480 . 1 1 A 45 45 LYS CA C 45 57.170 57.062 0.108 2
1 481 . 1 1 A 45 45 LYS CB C 45 32.204 32.363 -0.159 2
1 485 . 1 1 A 45 45 LYS N N 45 120.518 125.426 -4.908 2
1 486 . 1 1 A 46 46 ILE H H 46 7.212 7.680 -0.468 2
1 487 . 1 1 A 46 46 ILE HA H 46 4.371 4.134 0.237 2
1 497 . 1 1 A 46 46 ILE C C 46 175.191 176.282 -1.091 2
1 498 . 1 1 A 46 46 ILE CA C 46 60.666 63.183 -2.517 2
1 499 . 1 1 A 46 46 ILE CB C 46 37.531 37.673 -0.142 2
1 503 . 1 1 A 46 46 ILE N N 46 111.434 113.755 -2.321 2
1 504 . 1 1 A 47 47 VAL H H 47 7.378 7.176 0.202 2
1 505 . 1 1 A 47 47 VAL HA H 47 3.658 3.874 -0.216 2
1 513 . 1 1 A 47 47 VAL C C 47 175.157 175.992 -0.835 2
1 514 . 1 1 A 47 47 VAL CA C 47 63.521 62.204 1.317 2
1 515 . 1 1 A 47 47 VAL CB C 47 33.570 32.160 1.410 2
1 518 . 1 1 A 47 47 VAL N N 47 122.780 122.103 0.677 2
1 519 . 1 1 A 48 48 GLU H H 48 8.733 8.789 -0.056 2
1 520 . 1 1 A 48 48 GLU HA H 48 4.615 4.222 0.393 2
1 525 . 1 1 A 48 48 GLU C C 48 176.241 176.418 -0.177 2
1 526 . 1 1 A 48 48 GLU CA C 48 56.701 58.500 -1.799 2
1 527 . 1 1 A 48 48 GLU CB C 48 32.966 30.634 2.332 2
1 529 . 1 1 A 48 48 GLU N N 48 124.835 124.681 0.154 2
1 530 . 1 1 A 49 49 SER H H 49 8.130 7.368 0.762 2
1 531 . 1 1 A 49 49 SER HA H 49 4.726 4.629 0.097 2
1 534 . 1 1 A 49 49 SER C C 49 171.371 171.520 -0.149 2
1 535 . 1 1 A 49 49 SER CA C 49 57.440 57.467 -0.026 2
1 536 . 1 1 A 49 49 SER CB C 49 66.073 65.662 0.411 2
1 537 . 1 1 A 49 49 SER N N 49 114.231 111.428 2.803 2
1 538 . 1 1 A 50 50 TYR H H 50 8.681 8.650 0.031 2
1 539 . 1 1 A 50 50 TYR HA H 50 5.057 5.035 0.022 2
1 546 . 1 1 A 50 50 TYR C C 50 174.034 174.793 -0.759 2
1 547 . 1 1 A 50 50 TYR CA C 50 57.434 56.503 0.931 2
1 548 . 1 1 A 50 50 TYR CB C 50 41.437 39.473 1.964 2
1 553 . 1 1 A 50 50 TYR N N 50 115.301 120.480 -5.179 2
1 554 . 1 1 A 51 51 GLN H H 51 9.200 8.687 0.513 2
1 555 . 1 1 A 51 51 GLN HA H 51 5.144 4.719 0.425 2
1 562 . 1 1 A 51 51 GLN C C 51 173.878 174.815 -0.937 2
1 563 . 1 1 A 51 51 GLN CA C 51 53.669 55.467 -1.798 2
1 564 . 1 1 A 51 51 GLN CB C 51 32.783 29.779 3.003 2
1 566 . 1 1 A 51 51 GLN N N 51 119.842 123.887 -4.045 2
1 568 . 1 1 A 52 52 ILE H H 52 9.441 9.061 0.380 2
1 569 . 1 1 A 52 52 ILE HA H 52 4.803 4.820 -0.017 2
1 579 . 1 1 A 52 52 ILE C C 52 174.953 174.799 0.154 2
1 580 . 1 1 A 52 52 ILE CA C 52 61.054 60.607 0.447 2
1 581 . 1 1 A 52 52 ILE CB C 52 39.108 37.930 1.178 2
1 585 . 1 1 A 52 52 ILE N N 52 128.547 127.516 1.031 2
1 586 . 1 1 A 53 53 ARG H H 53 9.169 8.837 0.332 2
1 587 . 1 1 A 53 53 ARG HA H 53 5.628 5.109 0.519 2
1 594 . 1 1 A 53 53 ARG C C 53 174.869 175.735 -0.866 2
1 595 . 1 1 A 53 53 ARG CA C 53 54.479 55.712 -1.233 2
1 596 . 1 1 A 53 53 ARG CB C 53 33.942 31.387 2.555 2
1 599 . 1 1 A 53 53 ARG N N 53 127.779 129.125 -1.346 2
1 600 . 1 1 A 54 54 TYR H H 54 8.671 8.861 -0.190 2
1 601 . 1 1 A 54 54 TYR HA H 54 6.310 6.170 0.140 2
1 608 . 1 1 A 54 54 TYR C C 54 173.965 173.917 0.048 2
1 609 . 1 1 A 54 54 TYR CA C 54 55.291 55.958 -0.667 2
1 610 . 1 1 A 54 54 TYR CB C 54 41.930 42.211 -0.281 2
1 615 . 1 1 A 54 54 TYR N N 54 117.929 121.932 -4.003 2
1 616 . 1 1 A 55 55 TRP H H 55 8.928 8.810 0.118 2
1 617 . 1 1 A 55 55 TRP HA H 55 5.054 5.270 -0.216 2
1 626 . 1 1 A 55 55 TRP C C 55 172.613 174.082 -1.469 2
1 627 . 1 1 A 55 55 TRP CA C 55 56.577 55.964 0.613 2
1 628 . 1 1 A 55 55 TRP CB C 55 32.118 31.681 0.437 2
1 634 . 1 1 A 55 55 TRP N N 55 121.459 118.958 2.501 2
1 636 . 1 1 A 56 56 ALA H H 56 8.870 8.139 0.731 2
1 637 . 1 1 A 56 56 ALA HA H 56 4.053 3.745 0.308 2
1 641 . 1 1 A 56 56 ALA C C 56 179.868 178.153 1.715 2
1 642 . 1 1 A 56 56 ALA CA C 56 50.478 51.869 -1.391 2
1 643 . 1 1 A 56 56 ALA CB C 56 19.108 18.702 0.406 2
1 644 . 1 1 A 56 56 ALA N N 56 124.214 123.347 0.867 2
1 645 . 1 1 A 57 57 ALA H H 57 8.147 8.398 -0.251 2
1 646 . 1 1 A 57 57 ALA HA H 57 3.913 4.100 -0.187 2
1 650 . 1 1 A 57 57 ALA C C 57 178.479 179.929 -1.450 2
1 651 . 1 1 A 57 57 ALA CA C 57 54.832 55.524 -0.692 2
1 652 . 1 1 A 57 57 ALA CB C 57 19.317 18.166 1.151 2
1 653 . 1 1 A 57 57 ALA N N 57 120.999 124.512 -3.513 2
1 654 . 1 1 A 58 58 HIS H H 58 7.274 7.764 -0.490 2
1 655 . 1 1 A 58 58 HIS HA H 58 4.605 4.381 0.224 2
1 660 . 1 1 A 58 58 HIS C C 58 175.349 175.554 -0.205 2
1 661 . 1 1 A 58 58 HIS CA C 58 56.066 58.648 -2.582 2
1 662 . 1 1 A 58 58 HIS CB C 58 29.780 28.925 0.855 2
1 665 . 1 1 A 58 58 HIS N N 58 109.961 114.401 -4.441 2
1 666 . 1 1 A 59 59 ASP H H 59 7.945 7.364 0.581 2
1 667 . 1 1 A 59 59 ASP HA H 59 4.869 4.631 0.238 2
1 670 . 1 1 A 59 59 ASP C C 59 175.895 175.908 -0.013 2
1 671 . 1 1 A 59 59 ASP CA C 59 53.898 54.737 -0.839 2
1 672 . 1 1 A 59 59 ASP CB C 59 42.385 41.464 0.921 2
1 673 . 1 1 A 59 59 ASP N N 59 123.825 120.999 2.826 2
1 674 . 1 1 A 60 60 LYS H H 60 8.147 8.689 -0.542 2
1 675 . 1 1 A 60 60 LYS HA H 60 4.197 4.598 -0.401 2
1 682 . 1 1 A 60 60 LYS C C 60 177.212 177.537 -0.325 2
1 683 . 1 1 A 60 60 LYS CA C 60 56.121 54.739 1.382 2
1 684 . 1 1 A 60 60 LYS CB C 60 32.951 34.428 -1.477 2
1 688 . 1 1 A 60 60 LYS N N 60 117.803 120.993 -3.190 2
1 689 . 1 1 A 61 61 GLU H H 61 8.381 8.769 -0.388 2
1 690 . 1 1 A 61 61 GLU HA H 61 2.603 3.239 -0.636 2
1 695 . 1 1 A 61 61 GLU C C 61 178.058 178.145 -0.087 2
1 696 . 1 1 A 61 61 GLU CA C 61 58.622 58.643 -0.021 2
1 697 . 1 1 A 61 61 GLU CB C 61 28.709 28.905 -0.196 2
1 699 . 1 1 A 61 61 GLU N N 61 122.310 121.772 0.538 2
1 700 . 1 1 A 62 62 GLU H H 62 8.470 8.578 -0.108 2
1 701 . 1 1 A 62 62 GLU HA H 62 3.919 4.015 -0.096 2
1 706 . 1 1 A 62 62 GLU C C 62 176.293 177.487 -1.194 2
1 707 . 1 1 A 62 62 GLU CA C 62 57.899 58.863 -0.964 2
1 708 . 1 1 A 62 62 GLU CB C 62 28.796 29.027 -0.231 2
1 710 . 1 1 A 62 62 GLU N N 62 117.600 118.006 -0.406 2
1 711 . 1 1 A 63 63 ALA H H 63 7.760 7.342 0.418 2
1 712 . 1 1 A 63 63 ALA HA H 63 4.443 4.360 0.083 2
1 716 . 1 1 A 63 63 ALA C C 63 176.867 177.146 -0.279 2
1 717 . 1 1 A 63 63 ALA CA C 63 51.095 51.630 -0.535 2
1 718 . 1 1 A 63 63 ALA CB C 63 18.845 19.019 -0.174 2
1 719 . 1 1 A 63 63 ALA N N 63 123.067 120.576 2.491 2
1 720 . 1 1 A 64 64 ALA H H 64 7.389 7.169 0.220 2
1 721 . 1 1 A 64 64 ALA HA H 64 4.175 4.299 -0.124 2
1 725 . 1 1 A 64 64 ALA C C 64 177.784 177.320 0.464 2
1 726 . 1 1 A 64 64 ALA CA C 64 53.099 51.728 1.371 2
1 727 . 1 1 A 64 64 ALA CB C 64 19.784 19.306 0.478 2
1 728 . 1 1 A 64 64 ALA N N 64 121.409 121.485 -0.076 2
1 729 . 1 1 A 65 65 ASN H H 65 8.152 8.010 0.142 2
1 730 . 1 1 A 65 65 ASN HA H 65 4.714 4.878 -0.164 2
1 735 . 1 1 A 65 65 ASN C C 65 173.533 174.609 -1.076 2
1 736 . 1 1 A 65 65 ASN CA C 65 52.523 53.014 -0.490 2
1 737 . 1 1 A 65 65 ASN CB C 65 40.739 39.494 1.245 2
1 738 . 1 1 A 65 65 ASN N N 65 119.620 120.121 -0.501 2
1 740 . 1 1 A 66 66 ARG H H 66 8.366 8.772 -0.406 2
1 741 . 1 1 A 66 66 ARG HA H 66 5.760 5.426 0.334 2
1 748 . 1 1 A 66 66 ARG C C 66 175.946 174.720 1.226 2
1 749 . 1 1 A 66 66 ARG CA C 66 54.902 54.599 0.303 2
1 750 . 1 1 A 66 66 ARG CB C 66 34.116 33.612 0.504 2
1 753 . 1 1 A 66 66 ARG N N 66 116.911 119.319 -2.408 2
1 754 . 1 1 A 67 67 VAL H H 67 9.057 8.913 0.144 2
1 755 . 1 1 A 67 67 VAL HA H 67 4.520 4.688 -0.168 2
1 763 . 1 1 A 67 67 VAL C C 67 173.731 174.432 -0.701 2
1 764 . 1 1 A 67 67 VAL CA C 67 60.845 61.485 -0.640 2
1 765 . 1 1 A 67 67 VAL CB C 67 35.917 33.694 2.223 2
1 768 . 1 1 A 67 67 VAL N N 67 122.047 123.393 -1.346 2
1 769 . 1 1 A 68 68 GLN H H 68 8.741 8.989 -0.248 2
1 770 . 1 1 A 68 68 GLN HA H 68 5.543 5.064 0.479 2
1 777 . 1 1 A 68 68 GLN C C 68 175.452 175.337 0.115 2
1 778 . 1 1 A 68 68 GLN CA C 68 54.462 54.780 -0.318 2
1 779 . 1 1 A 68 68 GLN CB C 68 32.087 30.666 1.421 2
1 781 . 1 1 A 68 68 GLN N N 68 124.250 128.024 -3.774 2
1 783 . 1 1 A 69 69 VAL H H 69 8.912 8.722 0.190 2
1 784 . 1 1 A 69 69 VAL HA H 69 5.012 4.909 0.103 2
1 792 . 1 1 A 69 69 VAL C C 69 175.870 175.038 0.832 2
1 793 . 1 1 A 69 69 VAL CA C 69 59.045 59.362 -0.317 2
1 794 . 1 1 A 69 69 VAL CB C 69 35.106 35.379 -0.272 2
1 797 . 1 1 A 69 69 VAL N N 69 117.045 120.168 -3.123 2
1 798 . 1 1 A 70 70 THR H H 70 8.491 8.527 -0.036 2
1 799 . 1 1 A 70 70 THR HA H 70 4.585 4.396 0.189 2
1 804 . 1 1 A 70 70 THR C C 70 175.015 175.953 -0.938 2
1 805 . 1 1 A 70 70 THR CA C 70 62.917 62.391 0.526 2
1 806 . 1 1 A 70 70 THR CB C 70 70.767 69.742 1.025 2
1 808 . 1 1 A 70 70 THR N N 70 111.495 115.498 -4.003 2
1 809 . 1 1 A 71 71 SER H H 71 7.522 9.021 -1.500 2
1 810 . 1 1 A 71 71 SER HA H 71 4.148 4.455 -0.307 2
1 813 . 1 1 A 71 71 SER C C 71 174.340 176.287 -1.947 2
1 814 . 1 1 A 71 71 SER CA C 71 59.749 61.349 -1.600 2
1 815 . 1 1 A 71 71 SER CB C 71 63.060 62.798 0.262 2
1 816 . 1 1 A 71 71 SER N N 71 111.553 119.473 -7.920 2
1 817 . 1 1 A 72 72 GLN H H 72 7.718 8.021 -0.303 2
1 818 . 1 1 A 72 72 GLN HA H 72 4.428 4.336 0.092 2
1 823 . 1 1 A 72 72 GLN C C 72 176.456 176.744 -0.288 2
1 824 . 1 1 A 72 72 GLN CA C 72 56.630 57.963 -1.333 2
1 825 . 1 1 A 72 72 GLN CB C 72 29.373 28.731 0.642 2
1 827 . 1 1 A 72 72 GLN N N 72 117.502 118.964 -1.462 2
1 829 . 1 1 A 73 73 GLU H H 73 7.650 7.782 -0.132 2
1 830 . 1 1 A 73 73 GLU HA H 73 4.408 4.533 -0.125 2
1 835 . 1 1 A 73 73 GLU C C 73 176.484 176.159 0.325 2
1 836 . 1 1 A 73 73 GLU CA C 73 56.472 55.981 0.491 2
1 837 . 1 1 A 73 73 GLU CB C 73 31.962 30.007 1.955 2
1 839 . 1 1 A 73 73 GLU N N 73 119.175 119.827 -0.652 2
1 840 . 1 1 A 74 74 TYR H H 74 8.615 8.829 -0.214 2
1 841 . 1 1 A 74 74 TYR HA H 74 3.427 4.115 -0.688 2
1 848 . 1 1 A 74 74 TYR C C 74 171.853 175.035 -3.182 2
1 849 . 1 1 A 74 74 TYR CA C 74 56.565 59.454 -2.889 2
1 850 . 1 1 A 74 74 TYR CB C 74 39.410 37.983 1.427 2
1 855 . 1 1 A 74 74 TYR N N 74 118.997 124.947 -5.950 2
1 856 . 1 1 A 75 75 SER H H 75 6.801 7.584 -0.783 2
1 857 . 1 1 A 75 75 SER HA H 75 5.001 4.137 0.864 2
1 860 . 1 1 A 75 75 SER C C 75 172.976 172.041 0.935 2
1 861 . 1 1 A 75 75 SER CA C 75 56.154 56.725 -0.571 2
1 862 . 1 1 A 75 75 SER CB C 75 66.541 65.967 0.574 2
1 863 . 1 1 A 75 75 SER N N 75 109.803 111.518 -1.715 2
1 864 . 1 1 A 76 76 ALA H H 76 8.897 8.894 0.003 2
1 865 . 1 1 A 76 76 ALA HA H 76 4.604 5.231 -0.627 2
1 869 . 1 1 A 76 76 ALA C C 76 174.777 175.237 -0.460 2
1 870 . 1 1 A 76 76 ALA CA C 76 51.359 50.692 0.667 2
1 871 . 1 1 A 76 76 ALA CB C 76 23.140 24.127 -0.987 2
1 872 . 1 1 A 76 76 ALA N N 76 120.416 123.390 -2.974 2
1 873 . 1 1 A 77 77 ARG H H 77 8.529 8.667 -0.138 2
1 874 . 1 1 A 77 77 ARG HA H 77 4.681 5.079 -0.398 2
1 881 . 1 1 A 77 77 ARG C C 77 174.533 174.184 0.349 2
1 882 . 1 1 A 77 77 ARG CA C 77 54.973 54.525 0.448 2
1 883 . 1 1 A 77 77 ARG CB C 77 31.839 33.971 -2.133 2
1 886 . 1 1 A 77 77 ARG N N 77 121.172 119.923 1.249 2
1 887 . 1 1 A 78 78 LEU H H 78 9.089 9.110 -0.021 2
1 888 . 1 1 A 78 78 LEU HA H 78 4.396 5.013 -0.617 2
1 898 . 1 1 A 78 78 LEU C C 78 175.107 175.486 -0.379 2
1 899 . 1 1 A 78 78 LEU CA C 78 53.333 53.080 0.254 2
1 900 . 1 1 A 78 78 LEU CB C 78 41.272 44.908 -3.636 2
1 904 . 1 1 A 78 78 LEU N N 78 126.698 127.405 -0.707 2
1 905 . 1 1 A 79 79 GLU H H 79 8.239 8.687 -0.448 2
1 906 . 1 1 A 79 79 GLU HA H 79 5.034 5.009 0.025 2
1 911 . 1 1 A 79 79 GLU C C 79 174.792 175.594 -0.802 2
1 912 . 1 1 A 79 79 GLU CA C 79 54.056 54.532 -0.476 2
1 913 . 1 1 A 79 79 GLU CB C 79 33.692 33.121 0.571 2
1 915 . 1 1 A 79 79 GLU N N 79 119.147 121.341 -2.194 2
1 916 . 1 1 A 80 80 ASN H H 80 9.068 8.650 0.418 2
1 917 . 1 1 A 80 80 ASN HA H 80 4.303 4.299 0.004 2
1 922 . 1 1 A 80 80 ASN C C 80 174.823 174.203 0.620 2
1 923 . 1 1 A 80 80 ASN CA C 80 54.462 54.201 0.261 2
1 924 . 1 1 A 80 80 ASN CB C 80 37.359 37.032 0.327 2
1 925 . 1 1 A 80 80 ASN N N 80 113.324 116.641 -3.317 2
1 927 . 1 1 A 81 81 LEU H H 81 8.671 7.626 1.045 2
1 928 . 1 1 A 81 81 LEU HA H 81 4.252 4.685 -0.433 2
1 938 . 1 1 A 81 81 LEU C C 81 175.804 176.016 -0.212 2
1 939 . 1 1 A 81 81 LEU CA C 81 53.841 53.306 0.535 2
1 940 . 1 1 A 81 81 LEU CB C 81 40.891 43.451 -2.560 2
1 944 . 1 1 A 81 81 LEU N N 81 117.886 118.906 -1.020 2
1 945 . 1 1 A 82 82 LEU H H 82 8.448 8.748 -0.300 2
1 946 . 1 1 A 82 82 LEU HA H 82 4.600 4.748 -0.148 2
1 956 . 1 1 A 82 82 LEU C C 82 175.149 174.872 0.277 2
1 957 . 1 1 A 82 82 LEU CA C 82 52.629 52.870 -0.241 2
1 958 . 1 1 A 82 82 LEU CB C 82 42.449 41.710 0.739 2
1 962 . 1 1 A 82 82 LEU N N 82 121.118 123.179 -2.061 2
1 963 . 1 1 A 83 83 PRO HA H 83 5.237 4.401 0.836 2
1 970 . 1 1 A 83 83 PRO C C 83 178.145 177.279 0.866 2
1 971 . 1 1 A 83 83 PRO CA C 83 62.472 63.337 -0.865 2
1 972 . 1 1 A 83 83 PRO CB C 83 33.232 32.186 1.046 2
1 975 . 1 1 A 84 84 ASP H H 84 7.943 9.195 -1.252 2
1 976 . 1 1 A 84 84 ASP HA H 84 4.208 4.436 -0.228 2
1 979 . 1 1 A 84 84 ASP C C 84 174.476 174.740 -0.264 2
1 980 . 1 1 A 84 84 ASP CA C 84 54.250 55.051 -0.801 2
1 981 . 1 1 A 84 84 ASP CB C 84 41.568 39.510 2.058 2
1 982 . 1 1 A 84 84 ASP N N 84 126.496 121.650 4.846 2
1 983 . 1 1 A 85 85 THR H H 85 8.261 7.998 0.263 2
1 984 . 1 1 A 85 85 THR HA H 85 4.381 4.617 -0.236 2
1 989 . 1 1 A 85 85 THR C C 85 170.639 172.915 -2.276 2
1 990 . 1 1 A 85 85 THR CA C 85 62.951 61.127 1.824 2
1 991 . 1 1 A 85 85 THR CB C 85 72.217 71.708 0.509 2
1 993 . 1 1 A 85 85 THR N N 85 114.015 112.722 1.293 2
1 994 . 1 1 A 86 86 GLN H H 86 8.221 8.446 -0.225 2
1 995 . 1 1 A 86 86 GLN HA H 86 3.664 3.977 -0.313 2
1 1002 . 1 1 A 86 86 GLN C C 86 172.890 173.998 -1.108 2
1 1003 . 1 1 A 86 86 GLN CA C 86 54.585 55.160 -0.575 2
1 1004 . 1 1 A 86 86 GLN CB C 86 28.836 28.800 0.036 2
1 1006 . 1 1 A 86 86 GLN N N 86 127.039 126.501 0.538 2
1 1008 . 1 1 A 87 87 TYR H H 87 8.976 8.567 0.409 2
1 1009 . 1 1 A 87 87 TYR HA H 87 4.583 4.851 -0.267 2
1 1016 . 1 1 A 87 87 TYR C C 87 173.534 174.691 -1.157 2
1 1017 . 1 1 A 87 87 TYR CA C 87 57.599 56.155 1.444 2
1 1018 . 1 1 A 87 87 TYR CB C 87 42.344 40.779 1.565 2
1 1023 . 1 1 A 87 87 TYR N N 87 126.060 125.695 0.365 2
1 1024 . 1 1 A 88 88 PHE H H 88 8.388 8.346 0.042 2
1 1025 . 1 1 A 88 88 PHE HA H 88 4.902 4.771 0.131 2
1 1033 . 1 1 A 88 88 PHE C C 88 175.238 174.862 0.376 2
1 1034 . 1 1 A 88 88 PHE CA C 88 55.872 57.201 -1.329 2
1 1035 . 1 1 A 88 88 PHE CB C 88 40.284 37.930 2.354 2
1 1041 . 1 1 A 88 88 PHE N N 88 118.991 122.866 -3.875 2
1 1042 . 1 1 A 89 89 ILE H H 89 8.450 8.866 -0.416 2
1 1043 . 1 1 A 89 89 ILE HA H 89 4.913 5.128 -0.215 2
1 1053 . 1 1 A 89 89 ILE C C 89 174.770 175.287 -0.517 2
1 1054 . 1 1 A 89 89 ILE CA C 89 60.472 60.127 0.345 2
1 1055 . 1 1 A 89 89 ILE CB C 89 43.167 39.744 3.423 2
1 1059 . 1 1 A 89 89 ILE N N 89 118.943 124.762 -5.819 2
1 1060 . 1 1 A 90 90 GLU H H 90 9.071 8.819 0.252 2
1 1061 . 1 1 A 90 90 GLU HA H 90 4.558 5.090 -0.533 2
1 1066 . 1 1 A 90 90 GLU C C 90 173.981 174.729 -0.748 2
1 1067 . 1 1 A 90 90 GLU CA C 90 54.831 55.084 -0.253 2
1 1068 . 1 1 A 90 90 GLU CB C 90 35.052 33.461 1.591 2
1 1070 . 1 1 A 90 90 GLU N N 90 124.044 125.614 -1.570 2
1 1071 . 1 1 A 91 91 VAL H H 91 8.564 8.635 -0.071 2
1 1072 . 1 1 A 91 91 VAL HA H 91 4.968 4.758 0.210 2
1 1080 . 1 1 A 91 91 VAL C C 91 174.488 175.135 -0.647 2
1 1081 . 1 1 A 91 91 VAL CA C 91 60.525 60.675 -0.150 2
1 1082 . 1 1 A 91 91 VAL CB C 91 34.308 33.220 1.088 2
1 1085 . 1 1 A 91 91 VAL N N 91 121.165 125.475 -4.310 2
1 1086 . 1 1 A 92 92 GLY H H 92 8.941 8.574 0.367 2
1 1087 . 1 1 A 92 92 GLY HA2 H 92 4.571 4.285 0.286 2
1 1088 . 1 1 A 92 92 GLY HA3 H 92 3.581 4.290 -0.709 2
1 1089 . 1 1 A 92 92 GLY C C 92 171.577 172.030 -0.453 2
1 1090 . 1 1 A 92 92 GLY CA C 92 43.640 44.602 -0.962 2
1 1091 . 1 1 A 92 92 GLY N N 92 112.251 114.650 -2.399 2
1 1092 . 1 1 A 93 93 ALA H H 93 10.001 8.671 1.330 2
1 1093 . 1 1 A 93 93 ALA HA H 93 4.560 4.448 0.112 2
1 1097 . 1 1 A 93 93 ALA C C 93 176.786 176.691 0.095 2
1 1098 . 1 1 A 93 93 ALA CA C 93 51.060 51.419 -0.359 2
1 1099 . 1 1 A 93 93 ALA CB C 93 21.088 19.807 1.281 2
1 1100 . 1 1 A 93 93 ALA N N 93 126.200 125.390 0.810 2
1 1101 . 1 1 A 94 94 CYS H H 94 8.739 8.370 0.369 2
1 1102 . 1 1 A 94 94 CYS HA H 94 5.214 4.930 0.284 2
1 1105 . 1 1 A 94 94 CYS C C 94 174.087 173.099 0.988 2
1 1106 . 1 1 A 94 94 CYS CA C 94 57.088 57.710 -0.622 2
1 1107 . 1 1 A 94 94 CYS CB C 94 31.345 31.463 -0.118 2
1 1108 . 1 1 A 94 94 CYS N N 94 118.064 119.413 -1.349 2
1 1109 . 1 1 A 95 95 ASN H H 95 8.968 8.221 0.747 2
1 1110 . 1 1 A 95 95 ASN HA H 95 4.593 5.020 -0.427 2
1 1115 . 1 1 A 95 95 ASN C C 95 176.009 176.035 -0.026 2
1 1116 . 1 1 A 95 95 ASN CA C 95 52.981 50.952 2.029 2
1 1117 . 1 1 A 95 95 ASN CB C 95 39.336 40.140 -0.804 2
1 1118 . 1 1 A 95 95 ASN N N 95 121.604 122.327 -0.723 2
1 1120 . 1 1 A 96 96 SER H H 96 8.483 8.941 -0.458 2
1 1121 . 1 1 A 96 96 SER HA H 96 4.085 4.086 -0.001 2
1 1124 . 1 1 A 96 96 SER C C 96 174.700 176.413 -1.713 2
1 1125 . 1 1 A 96 96 SER CA C 96 61.600 61.241 0.359 2
1 1126 . 1 1 A 96 96 SER CB C 96 62.794 62.666 0.128 2
1 1127 . 1 1 A 96 96 SER N N 96 113.664 115.880 -2.216 2
1 1128 . 1 1 A 97 97 ALA H H 97 8.187 7.626 0.561 2
1 1129 . 1 1 A 97 97 ALA HA H 97 4.357 4.129 0.228 2
1 1133 . 1 1 A 97 97 ALA C C 97 177.600 176.914 0.686 2
1 1134 . 1 1 A 97 97 ALA CA C 97 52.681 54.996 -2.315 2
1 1135 . 1 1 A 97 97 ALA CB C 97 19.192 19.054 0.138 2
1 1136 . 1 1 A 97 97 ALA N N 97 123.374 121.979 1.395 2
1 1137 . 1 1 A 98 98 GLY H H 98 7.800 7.821 -0.021 2
1 1138 . 1 1 A 98 98 GLY HA2 H 98 4.444 4.154 0.290 2
1 1139 . 1 1 A 98 98 GLY HA3 H 98 3.840 4.154 -0.314 2
1 1140 . 1 1 A 98 98 GLY C C 98 171.071 172.343 -1.272 2
1 1141 . 1 1 A 98 98 GLY CA C 98 44.809 43.928 0.881 2
1 1142 . 1 1 A 98 98 GLY N N 98 106.029 104.235 1.794 2
1 1143 . 1 1 A 99 99 CYS H H 99 8.399 8.589 -0.190 2
1 1144 . 1 1 A 99 99 CYS HA H 99 4.891 5.147 -0.256 2
1 1147 . 1 1 A 99 99 CYS C C 99 175.557 174.570 0.987 2
1 1148 . 1 1 A 99 99 CYS CA C 99 57.670 57.803 -0.133 2
1 1149 . 1 1 A 99 99 CYS CB C 99 29.469 29.395 0.074 2
1 1150 . 1 1 A 99 99 CYS N N 99 117.855 118.513 -0.658 2
1 1151 . 1 1 A 100 100 GLY H H 100 8.930 8.710 0.220 2
1 1152 . 1 1 A 100 100 GLY HA2 H 100 4.282 4.217 0.065 2
1 1153 . 1 1 A 100 100 GLY HA3 H 100 3.764 4.227 -0.463 2
1 1154 . 1 1 A 100 100 GLY C C 100 170.974 172.480 -1.506 2
1 1155 . 1 1 A 100 100 GLY CA C 100 45.578 43.928 1.650 2
1 1156 . 1 1 A 100 100 GLY N N 100 113.025 111.442 1.583 2
1 1157 . 1 1 A 101 101 PRO HA H 101 4.616 4.600 0.016 2
1 1164 . 1 1 A 101 101 PRO CA C 101 60.598 62.200 -1.602 2
1 1165 . 1 1 A 101 101 PRO CB C 101 30.874 31.976 -1.102 2
1 1168 . 1 1 A 102 102 PRO HA H 102 4.659 4.520 0.139 2
1 1175 . 1 1 A 102 102 PRO C C 102 178.078 176.538 1.540 2
1 1176 . 1 1 A 102 102 PRO CA C 102 62.111 62.385 -0.274 2
1 1177 . 1 1 A 102 102 PRO CB C 102 32.383 32.140 0.243 2
1 1180 . 1 1 A 103 103 SER H H 103 8.732 8.305 0.427 2
1 1181 . 1 1 A 103 103 SER HA H 103 4.222 4.636 -0.414 2
1 1184 . 1 1 A 103 103 SER C C 103 173.155 173.993 -0.838 2
1 1185 . 1 1 A 103 103 SER CA C 103 58.321 57.462 0.859 2
1 1186 . 1 1 A 103 103 SER CB C 103 65.815 65.450 0.365 2
1 1187 . 1 1 A 103 103 SER N N 103 113.387 114.817 -1.430 2
1 1188 . 1 1 A 104 104 ASP H H 104 8.248 8.575 -0.327 2
1 1189 . 1 1 A 104 104 ASP HA H 104 4.472 4.579 -0.107 2
1 1192 . 1 1 A 104 104 ASP C C 104 176.703 176.178 0.525 2
1 1193 . 1 1 A 104 104 ASP CA C 104 55.573 54.670 0.903 2
1 1194 . 1 1 A 104 104 ASP CB C 104 40.583 41.416 -0.833 2
1 1195 . 1 1 A 104 104 ASP N N 104 119.021 121.154 -2.134 2
1 1196 . 1 1 A 105 105 MET H H 105 8.460 8.557 -0.097 2
1 1197 . 1 1 A 105 105 MET HA H 105 4.542 4.672 -0.130 2
1 1205 . 1 1 A 105 105 MET C C 105 175.687 175.067 0.620 2
1 1206 . 1 1 A 105 105 MET CA C 105 56.348 55.589 0.759 2
1 1207 . 1 1 A 105 105 MET CB C 105 33.610 33.052 0.558 2
1 1210 . 1 1 A 105 105 MET N N 105 124.915 123.299 1.616 2
1 1211 . 1 1 A 106 106 ILE H H 106 8.914 8.759 0.155 2
1 1212 . 1 1 A 106 106 ILE HA H 106 4.571 4.962 -0.391 2
1 1222 . 1 1 A 106 106 ILE C C 106 173.498 175.750 -2.252 2
1 1223 . 1 1 A 106 106 ILE CA C 106 59.185 59.957 -0.772 2
1 1224 . 1 1 A 106 106 ILE CB C 106 40.786 40.483 0.303 2
1 1228 . 1 1 A 106 106 ILE N N 106 126.141 127.403 -1.262 2
1 1229 . 1 1 A 107 107 GLU H H 107 7.999 9.036 -1.036 2
1 1230 . 1 1 A 107 107 GLU HA H 107 5.373 4.977 0.396 2
1 1235 . 1 1 A 107 107 GLU C C 107 175.263 175.241 0.022 2
1 1236 . 1 1 A 107 107 GLU CA C 107 53.343 54.768 -1.425 2
1 1237 . 1 1 A 107 107 GLU CB C 107 32.951 32.669 0.282 2
1 1239 . 1 1 A 107 107 GLU N N 107 121.346 123.625 -2.279 2
1 1240 . 1 1 A 108 108 ALA H H 108 8.685 8.811 -0.126 2
1 1241 . 1 1 A 108 108 ALA HA H 108 4.549 5.550 -1.001 2
1 1245 . 1 1 A 108 108 ALA C C 108 174.431 175.726 -1.295 2
1 1246 . 1 1 A 108 108 ALA CA C 108 51.113 50.101 1.012 2
1 1247 . 1 1 A 108 108 ALA CB C 108 23.724 23.115 0.609 2
1 1248 . 1 1 A 108 108 ALA N N 108 123.009 123.980 -0.971 2
1 1249 . 1 1 A 109 109 PHE H H 109 8.519 9.126 -0.607 2
1 1250 . 1 1 A 109 109 PHE HA H 109 5.481 5.088 0.393 2
1 1258 . 1 1 A 109 109 PHE C C 109 177.604 175.855 1.749 2
1 1259 . 1 1 A 109 109 PHE CA C 109 55.854 56.565 -0.711 2
1 1260 . 1 1 A 109 109 PHE CB C 109 41.019 40.769 0.250 2
1 1266 . 1 1 A 109 109 PHE N N 109 119.997 118.252 1.744 2
1 1267 . 1 1 A 110 110 THR H H 110 8.839 8.643 0.196 2
1 1268 . 1 1 A 110 110 THR HA H 110 4.103 4.548 -0.445 2
1 1273 . 1 1 A 110 110 THR C C 110 175.354 174.325 1.029 2
1 1274 . 1 1 A 110 110 THR CA C 110 61.763 61.493 0.270 2
1 1275 . 1 1 A 110 110 THR CB C 110 69.356 70.873 -1.517 2
1 1277 . 1 1 A 110 110 THR N N 110 112.067 116.711 -4.644 2
1 1278 . 1 1 A 111 111 LYS H H 111 6.542 8.419 -1.877 2
1 1279 . 1 1 A 111 111 LYS HA H 111 4.208 4.588 -0.380 2
1 1288 . 1 1 A 111 111 LYS C C 111 176.693 176.810 -0.117 2
1 1289 . 1 1 A 111 111 LYS CA C 111 56.383 55.114 1.269 2
1 1290 . 1 1 A 111 111 LYS CB C 111 33.447 33.927 -0.480 2
1 1294 . 1 1 A 111 111 LYS N N 111 116.497 120.908 -4.411 2
1 1295 . 1 1 A 112 112 LYS H H 112 8.230 8.571 -0.341 2
1 1296 . 1 1 A 112 112 LYS HA H 112 4.143 4.441 -0.298 2
1 1304 . 1 1 A 112 112 LYS C C 112 176.823 176.724 0.099 2
1 1305 . 1 1 A 112 112 LYS CA C 112 57.229 56.143 1.086 2
1 1306 . 1 1 A 112 112 LYS CB C 112 33.528 32.749 0.779 2
1 1310 . 1 1 A 112 112 LYS N N 112 118.783 121.203 -2.420 2
1 1311 . 1 1 A 113 113 ALA H H 113 8.762 8.510 0.252 2
1 1312 . 1 1 A 113 113 ALA HA H 113 4.338 4.261 0.077 2
1 1316 . 1 1 A 113 113 ALA C C 113 177.688 177.128 0.560 2
1 1317 . 1 1 A 113 113 ALA CA C 113 52.417 53.212 -0.795 2
1 1318 . 1 1 A 113 113 ALA CB C 113 19.272 18.700 0.572 2
1 1319 . 1 1 A 113 113 ALA N N 113 124.432 127.136 -2.704 2
1 1320 . 1 1 A 114 114 SER H H 114 8.386 8.408 -0.022 2
1 1321 . 1 1 A 114 114 SER HA H 114 4.487 4.716 -0.229 2
1 1324 . 1 1 A 114 114 SER C C 114 174.474 173.968 0.506 2
1 1325 . 1 1 A 114 114 SER CA C 114 58.063 57.988 0.075 2
1 1326 . 1 1 A 114 114 SER CB C 114 64.012 64.781 -0.769 2
1 1327 . 1 1 A 114 114 SER N N 114 115.798 115.629 0.169 2
1 1328 . 1 1 A 115 115 GLY H H 115 8.278 8.389 -0.111 2
1 1329 . 1 1 A 115 115 GLY HA2 H 115 4.172 4.160 0.012 2
1 1330 . 1 1 A 115 115 GLY HA3 H 115 4.094 4.160 -0.066 2
1 1331 . 1 1 A 115 115 GLY C C 115 171.799 173.492 -1.693 2
1 1332 . 1 1 A 115 115 GLY CA C 115 44.662 44.573 0.089 2
1 1333 . 1 1 A 115 115 GLY N N 115 110.600 111.089 -0.489 2
1 1334 . 1 1 A 116 116 PRO HA H 116 4.472 4.582 -0.110 2
1 1341 . 1 1 A 116 116 PRO C C 116 177.440 176.703 0.737 2
1 1342 . 1 1 A 116 116 PRO CA C 116 63.275 63.408 -0.133 2
1 1343 . 1 1 A 116 116 PRO CB C 116 32.169 31.774 0.395 2
1 1346 . 1 1 A 117 117 SER HA H 117 4.505 4.552 -0.047 2
1 1348 . 1 1 A 117 117 SER C C 117 174.652 174.052 0.600 2
1 1349 . 1 1 A 117 117 SER CA C 117 58.393 58.779 -0.386 2
1 1350 . 1 1 A 117 117 SER CB C 117 63.899 64.057 -0.158 2
1 1351 . 1 1 A 117 117 SER N N 117 116.140 116.022 0.118 2
1 1352 . 1 1 A 118 118 SER H H 118 8.314 8.465 -0.151 2
1 1353 . 1 1 A 118 118 SER HA H 118 4.494 4.768 -0.274 2
1 1355 . 1 1 A 118 118 SER C C 118 173.938 174.187 -0.249 2
1 1356 . 1 1 A 118 118 SER CA C 118 58.428 57.747 0.681 2
1 1357 . 1 1 A 118 118 SER CB C 118 63.929 64.880 -0.951 2
1 1358 . 1 1 A 118 118 SER N N 118 117.760 118.481 -0.721 2
stop_
save_