data_10274_sparta
save_entry_information
_Entry.Sf_category entry_information
_Entry.Sf_framecode entry_information
_Entry.ID 10274
_Entry.PDB_ID 2EKJ
_Entry.NMR_STAR_version 3.0.9.100
save_
save_delta_chem_shifts_single
_Entity_delta_chem_shifts.Sf_category delta_chem_shifts
_Entity_delta_chem_shifts.Sf_framecode delta_chem_shifts_single
_Entity_delta_chem_shifts.Conformer_type "single"
_Entity_delta_chem_shifts.Conformer_count 20
_Entity_delta_chem_shifts.Best_conformer 1
_Entity_delta_chem_shifts.ID 1
loop_
_Delta_CS.Assigned_chem_shift_list_ID
_Delta_CS.Atom_chem_shift_ID
_Delta_CS.Assembly_atom_ID
_Delta_CS.Conformer_ID
_Delta_CS.Entity_assembly_ID
_Delta_CS.Entity_ID
_Delta_CS.PDB_asym_ID
_Delta_CS.Comp_index_ID
_Delta_CS.Seq_ID
_Delta_CS.Comp_ID
_Delta_CS.Atom_ID
_Delta_CS.Atom_type
_Delta_CS.Auth_seq_ID
_Delta_CS.Original_CS_value
_Delta_CS.Sparta_CS_value
_Delta_CS.Delta_CS_value
_Delta_CS.Entity_delta_chem_shifts_ID
1 1 . 1 1 1 A 5 5 SER N N 5 119.122 121.436 -2.314 1
1 2 . 1 1 1 A 6 6 SER N N 6 123.945 117.814 6.131 1
1 3 . 1 1 1 A 7 7 GLY HA2 H 7 3.813 3.915 -0.102 1
1 4 . 1 1 1 A 7 7 GLY HA3 H 7 3.813 3.929 -0.116 1
1 5 . 1 1 1 A 7 7 GLY CA C 7 45.375 45.611 -0.236 1
1 6 . 1 1 1 A 8 8 ARG H H 8 7.999 8.016 -0.017 1
1 7 . 1 1 1 A 8 8 ARG HA H 8 3.712 3.898 -0.186 1
1 14 . 1 1 1 A 8 8 ARG CA C 8 54.185 54.708 -0.523 1
1 15 . 1 1 1 A 8 8 ARG CB C 8 29.555 31.545 -1.990 1
1 18 . 1 1 1 A 8 8 ARG N N 8 121.209 120.581 0.628 1
1 19 . 1 1 1 A 9 9 SER H H 9 7.810 8.574 -0.764 1
1 20 . 1 1 1 A 9 9 SER HA H 9 4.725 4.975 -0.250 1
1 23 . 1 1 1 A 9 9 SER CA C 9 58.455 54.615 3.840 1
1 24 . 1 1 1 A 9 9 SER CB C 9 62.966 65.419 -2.453 1
1 25 . 1 1 1 A 9 9 SER N N 9 118.072 119.666 -1.594 1
1 26 . 1 1 1 A 10 10 PRO HA H 10 5.182 4.951 0.231 1
1 33 . 1 1 1 A 10 10 PRO CA C 10 61.759 61.288 0.471 1
1 34 . 1 1 1 A 10 10 PRO CB C 10 30.280 31.543 -1.263 1
1 37 . 1 1 1 A 11 11 PRO HA H 11 4.567 4.643 -0.076 1
1 44 . 1 1 1 A 11 11 PRO C C 11 173.556 175.978 -2.422 1
1 45 . 1 1 1 A 11 11 PRO CA C 11 62.674 62.600 0.074 1
1 46 . 1 1 1 A 11 11 PRO CB C 11 33.026 31.425 1.601 1
1 49 . 1 1 1 A 12 12 SER H H 12 8.427 8.692 -0.265 1
1 50 . 1 1 1 A 12 12 SER HA H 12 4.890 4.964 -0.074 1
1 53 . 1 1 1 A 12 12 SER C C 12 173.115 173.744 -0.629 1
1 54 . 1 1 1 A 12 12 SER CA C 12 56.556 57.161 -0.605 1
1 55 . 1 1 1 A 12 12 SER CB C 12 66.882 66.358 0.524 1
1 56 . 1 1 1 A 12 12 SER N N 12 111.345 118.138 -6.793 1
1 57 . 1 1 1 A 13 13 ASN H H 13 8.973 8.789 0.184 1
1 58 . 1 1 1 A 13 13 ASN HA H 13 4.318 4.272 0.046 1
1 63 . 1 1 1 A 13 13 ASN C C 13 173.850 174.698 -0.848 1
1 64 . 1 1 1 A 13 13 ASN CA C 13 53.928 54.194 -0.266 1
1 65 . 1 1 1 A 13 13 ASN CB C 13 37.365 36.813 0.552 1
1 66 . 1 1 1 A 13 13 ASN N N 13 115.970 116.832 -0.862 1
1 68 . 1 1 1 A 14 14 LEU H H 14 8.223 8.120 0.103 1
1 69 . 1 1 1 A 14 14 LEU HA H 14 4.857 4.414 0.443 1
1 79 . 1 1 1 A 14 14 LEU C C 14 176.725 176.825 -0.100 1
1 80 . 1 1 1 A 14 14 LEU CA C 14 56.115 56.169 -0.054 1
1 81 . 1 1 1 A 14 14 LEU CB C 14 42.621 42.191 0.430 1
1 85 . 1 1 1 A 14 14 LEU N N 14 119.681 119.781 -0.100 1
1 86 . 1 1 1 A 15 15 ALA H H 15 9.364 8.350 1.014 1
1 87 . 1 1 1 A 15 15 ALA HA H 15 4.736 5.124 -0.388 1
1 91 . 1 1 1 A 15 15 ALA C C 15 175.056 175.426 -0.370 1
1 92 . 1 1 1 A 15 15 ALA CA C 15 51.496 50.816 0.680 1
1 93 . 1 1 1 A 15 15 ALA CB C 15 22.285 21.067 1.218 1
1 94 . 1 1 1 A 15 15 ALA N N 15 130.359 125.653 4.706 1
1 95 . 1 1 1 A 16 16 LEU H H 16 8.448 9.125 -0.677 1
1 96 . 1 1 1 A 16 16 LEU HA H 16 5.385 5.076 0.309 1
1 106 . 1 1 1 A 16 16 LEU C C 16 175.868 175.721 0.147 1
1 107 . 1 1 1 A 16 16 LEU CA C 16 53.224 53.795 -0.571 1
1 108 . 1 1 1 A 16 16 LEU CB C 16 45.061 42.155 2.906 1
1 112 . 1 1 1 A 16 16 LEU N N 16 120.470 124.060 -3.590 1
1 113 . 1 1 1 A 17 17 ALA H H 17 8.737 9.439 -0.702 1
1 114 . 1 1 1 A 17 17 ALA HA H 17 4.620 5.356 -0.736 1
1 118 . 1 1 1 A 17 17 ALA C C 17 175.371 175.111 0.260 1
1 119 . 1 1 1 A 17 17 ALA CA C 17 51.249 50.172 1.077 1
1 120 . 1 1 1 A 17 17 ALA CB C 17 22.570 21.283 1.287 1
1 121 . 1 1 1 A 17 17 ALA N N 17 124.938 128.766 -3.828 1
1 122 . 1 1 1 A 18 18 SER H H 18 8.675 8.806 -0.131 1
1 123 . 1 1 1 A 18 18 SER HA H 18 5.021 4.723 0.298 1
1 126 . 1 1 1 A 18 18 SER C C 18 174.678 174.397 0.281 1
1 127 . 1 1 1 A 18 18 SER CA C 18 57.244 56.503 0.741 1
1 128 . 1 1 1 A 18 18 SER CB C 18 64.200 64.283 -0.083 1
1 129 . 1 1 1 A 18 18 SER N N 18 113.933 118.628 -4.695 1
1 130 . 1 1 1 A 19 19 GLU H H 19 9.743 8.819 0.924 1
1 131 . 1 1 1 A 19 19 GLU HA H 19 4.466 4.598 -0.132 1
1 136 . 1 1 1 A 19 19 GLU C C 19 176.368 176.132 0.236 1
1 137 . 1 1 1 A 19 19 GLU CA C 19 56.295 57.341 -1.046 1
1 138 . 1 1 1 A 19 19 GLU CB C 19 31.532 32.011 -0.479 1
1 140 . 1 1 1 A 19 19 GLU N N 19 127.234 125.792 1.442 1
1 141 . 1 1 1 A 20 20 THR H H 20 7.759 7.566 0.193 1
1 142 . 1 1 1 A 20 20 THR HA H 20 4.935 4.651 0.284 1
1 147 . 1 1 1 A 20 20 THR C C 20 171.770 173.687 -1.917 1
1 148 . 1 1 1 A 20 20 THR CA C 20 58.337 58.320 0.017 1
1 149 . 1 1 1 A 20 20 THR CB C 20 69.869 71.536 -1.667 1
1 151 . 1 1 1 A 20 20 THR N N 20 109.600 110.922 -1.322 1
1 152 . 1 1 1 A 21 21 PRO HA H 21 4.587 4.526 0.061 1
1 159 . 1 1 1 A 21 21 PRO C C 21 173.647 176.233 -2.586 1
1 160 . 1 1 1 A 21 21 PRO CA C 21 64.332 64.114 0.218 1
1 161 . 1 1 1 A 21 21 PRO CB C 21 32.380 31.621 0.759 1
1 164 . 1 1 1 A 22 22 ASP H H 22 7.420 8.341 -0.921 1
1 165 . 1 1 1 A 22 22 ASP HA H 22 4.648 5.054 -0.406 1
1 168 . 1 1 1 A 22 22 ASP C C 22 175.838 175.595 0.243 1
1 169 . 1 1 1 A 22 22 ASP CA C 22 51.037 54.157 -3.120 1
1 170 . 1 1 1 A 22 22 ASP CB C 22 42.177 42.666 -0.489 1
1 171 . 1 1 1 A 22 22 ASP N N 22 107.201 117.617 -10.416 1
1 172 . 1 1 1 A 23 23 SER H H 23 7.729 7.624 0.105 1
1 173 . 1 1 1 A 23 23 SER HA H 23 5.474 5.053 0.421 1
1 176 . 1 1 1 A 23 23 SER C C 23 171.887 172.348 -0.461 1
1 177 . 1 1 1 A 23 23 SER CA C 23 57.481 57.421 0.060 1
1 178 . 1 1 1 A 23 23 SER CB C 23 68.168 67.273 0.895 1
1 179 . 1 1 1 A 23 23 SER N N 23 112.046 114.246 -2.200 1
1 180 . 1 1 1 A 24 24 LEU H H 24 7.884 8.599 -0.715 1
1 181 . 1 1 1 A 24 24 LEU HA H 24 4.769 4.775 -0.006 1
1 191 . 1 1 1 A 24 24 LEU C C 24 174.542 174.268 0.274 1
1 192 . 1 1 1 A 24 24 LEU CA C 24 53.576 54.186 -0.610 1
1 193 . 1 1 1 A 24 24 LEU CB C 24 47.616 45.431 2.185 1
1 197 . 1 1 1 A 24 24 LEU N N 24 119.324 123.191 -3.867 1
1 198 . 1 1 1 A 25 25 GLN H H 25 9.356 9.207 0.149 1
1 199 . 1 1 1 A 25 25 GLN HA H 25 4.747 4.523 0.224 1
1 206 . 1 1 1 A 25 25 GLN C C 25 174.824 174.947 -0.123 1
1 207 . 1 1 1 A 25 25 GLN CA C 25 55.533 55.981 -0.448 1
1 208 . 1 1 1 A 25 25 GLN CB C 25 29.759 29.858 -0.099 1
1 210 . 1 1 1 A 25 25 GLN N N 25 124.019 128.153 -4.134 1
1 212 . 1 1 1 A 26 26 VAL H H 26 9.020 8.120 0.900 1
1 213 . 1 1 1 A 26 26 VAL HA H 26 4.824 4.964 -0.140 1
1 221 . 1 1 1 A 26 26 VAL C C 26 174.556 173.746 0.810 1
1 222 . 1 1 1 A 26 26 VAL CA C 26 60.629 60.135 0.494 1
1 223 . 1 1 1 A 26 26 VAL CB C 26 33.355 35.199 -1.844 1
1 226 . 1 1 1 A 26 26 VAL N N 26 127.649 124.405 3.244 1
1 227 . 1 1 1 A 27 27 SER H H 27 9.056 8.645 0.411 1
1 228 . 1 1 1 A 27 27 SER HA H 27 4.857 4.523 0.334 1
1 231 . 1 1 1 A 27 27 SER C C 27 172.328 172.393 -0.065 1
1 232 . 1 1 1 A 27 27 SER CA C 27 57.138 55.799 1.339 1
1 233 . 1 1 1 A 27 27 SER CB C 27 66.864 65.320 1.544 1
1 234 . 1 1 1 A 27 27 SER N N 27 119.826 121.755 -1.929 1
1 235 . 1 1 1 A 28 28 TRP H H 28 7.584 8.084 -0.500 1
1 236 . 1 1 1 A 28 28 TRP HA H 28 5.022 5.275 -0.253 1
1 245 . 1 1 1 A 28 28 TRP C C 28 174.055 172.956 1.099 1
1 246 . 1 1 1 A 28 28 TRP CA C 28 56.609 55.788 0.821 1
1 247 . 1 1 1 A 28 28 TRP CB C 28 29.814 30.695 -0.881 1
1 253 . 1 1 1 A 28 28 TRP N N 28 115.280 119.881 -4.601 1
1 255 . 1 1 1 A 29 29 THR H H 29 9.293 9.017 0.276 1
1 256 . 1 1 1 A 29 29 THR HA H 29 4.865 4.858 0.007 1
1 261 . 1 1 1 A 29 29 THR C C 29 173.203 173.639 -0.436 1
1 262 . 1 1 1 A 29 29 THR CA C 29 59.889 59.639 0.250 1
1 263 . 1 1 1 A 29 29 THR CB C 29 69.774 69.784 -0.010 1
1 265 . 1 1 1 A 29 29 THR N N 29 117.164 115.465 1.699 1
1 266 . 1 1 1 A 30 30 PRO HA H 30 4.809 4.845 -0.036 1
1 273 . 1 1 1 A 30 30 PRO CA C 30 61.701 61.766 -0.065 1
1 274 . 1 1 1 A 30 30 PRO CB C 30 32.114 32.027 0.087 1
1 277 . 1 1 1 A 31 31 PRO HA H 31 4.703 4.675 0.028 1
1 284 . 1 1 1 A 31 31 PRO C C 31 175.384 176.660 -1.276 1
1 285 . 1 1 1 A 31 31 PRO CA C 31 61.793 62.430 -0.637 1
1 286 . 1 1 1 A 31 31 PRO CB C 31 32.822 33.491 -0.669 1
1 289 . 1 1 1 A 32 32 LEU H H 32 8.312 8.225 0.087 1
1 290 . 1 1 1 A 32 32 LEU HA H 32 4.333 4.267 0.066 1
1 300 . 1 1 1 A 32 32 LEU C C 32 177.793 177.979 -0.186 1
1 301 . 1 1 1 A 32 32 LEU CA C 32 55.851 56.499 -0.648 1
1 302 . 1 1 1 A 32 32 LEU CB C 32 41.968 42.355 -0.387 1
1 306 . 1 1 1 A 32 32 LEU N N 32 119.044 118.075 0.969 1
1 307 . 1 1 1 A 33 33 GLY H H 33 8.147 7.830 0.317 1
1 308 . 1 1 1 A 33 33 GLY HA2 H 33 4.210 4.110 0.100 1
1 309 . 1 1 1 A 33 33 GLY HA3 H 33 4.051 4.142 -0.091 1
1 310 . 1 1 1 A 33 33 GLY C C 33 172.971 172.583 0.388 1
1 311 . 1 1 1 A 33 33 GLY CA C 33 44.216 45.333 -1.117 1
1 312 . 1 1 1 A 33 33 GLY N N 33 107.917 108.459 -0.542 1
1 313 . 1 1 1 A 34 34 ARG H H 34 8.671 8.618 0.053 1
1 314 . 1 1 1 A 34 34 ARG HA H 34 4.405 4.523 -0.118 1
1 321 . 1 1 1 A 34 34 ARG C C 34 174.517 175.497 -0.980 1
1 322 . 1 1 1 A 34 34 ARG CA C 34 55.339 56.815 -1.476 1
1 323 . 1 1 1 A 34 34 ARG CB C 34 29.137 30.652 -1.515 1
1 326 . 1 1 1 A 34 34 ARG N N 34 121.152 123.003 -1.851 1
1 327 . 1 1 1 A 35 35 VAL H H 35 7.825 8.801 -0.976 1
1 328 . 1 1 1 A 35 35 VAL HA H 35 3.060 4.252 -1.192 1
1 336 . 1 1 1 A 35 35 VAL C C 35 176.613 175.410 1.203 1
1 337 . 1 1 1 A 35 35 VAL CA C 35 62.505 61.525 0.980 1
1 338 . 1 1 1 A 35 35 VAL CB C 35 32.534 33.293 -0.759 1
1 341 . 1 1 1 A 35 35 VAL N N 35 126.379 127.203 -0.824 1
1 342 . 1 1 1 A 36 36 LEU H H 36 8.874 8.495 0.379 1
1 343 . 1 1 1 A 36 36 LEU HA H 36 4.176 4.082 0.094 1
1 353 . 1 1 1 A 36 36 LEU C C 36 177.540 176.882 0.658 1
1 354 . 1 1 1 A 36 36 LEU CA C 36 57.050 57.474 -0.424 1
1 355 . 1 1 1 A 36 36 LEU CB C 36 41.723 42.373 -0.650 1
1 359 . 1 1 1 A 36 36 LEU N N 36 127.956 128.326 -0.370 1
1 360 . 1 1 1 A 37 37 HIS H H 37 7.231 7.300 -0.069 1
1 361 . 1 1 1 A 37 37 HIS HA H 37 4.615 4.817 -0.202 1
1 366 . 1 1 1 A 37 37 HIS C C 37 171.558 171.712 -0.154 1
1 367 . 1 1 1 A 37 37 HIS CA C 37 55.005 54.266 0.739 1
1 368 . 1 1 1 A 37 37 HIS CB C 37 32.039 32.552 -0.513 1
1 371 . 1 1 1 A 37 37 HIS N N 37 112.948 112.951 -0.003 1
1 372 . 1 1 1 A 38 38 TYR H H 38 9.836 8.923 0.913 1
1 373 . 1 1 1 A 38 38 TYR HA H 38 5.165 5.025 0.140 1
1 378 . 1 1 1 A 38 38 TYR C C 38 174.934 174.739 0.195 1
1 379 . 1 1 1 A 38 38 TYR CA C 38 56.698 56.567 0.131 1
1 380 . 1 1 1 A 38 38 TYR CB C 38 40.251 39.692 0.559 1
1 385 . 1 1 1 A 38 38 TYR N N 38 116.581 117.345 -0.764 1
1 386 . 1 1 1 A 39 39 TRP H H 39 8.984 8.833 0.151 1
1 387 . 1 1 1 A 39 39 TRP HA H 39 5.307 4.955 0.352 1
1 396 . 1 1 1 A 39 39 TRP C C 39 173.996 175.025 -1.029 1
1 397 . 1 1 1 A 39 39 TRP CA C 39 55.798 56.321 -0.523 1
1 398 . 1 1 1 A 39 39 TRP CB C 39 31.998 29.387 2.611 1
1 404 . 1 1 1 A 39 39 TRP N N 39 124.201 128.170 -3.969 1
1 406 . 1 1 1 A 40 40 LEU H H 40 8.695 8.401 0.294 1
1 407 . 1 1 1 A 40 40 LEU HA H 40 5.636 4.817 0.819 1
1 417 . 1 1 1 A 40 40 LEU C C 40 175.416 174.987 0.429 1
1 418 . 1 1 1 A 40 40 LEU CA C 40 54.030 53.834 0.196 1
1 419 . 1 1 1 A 40 40 LEU CB C 40 44.846 44.498 0.348 1
1 423 . 1 1 1 A 40 40 LEU N N 40 132.690 129.646 3.044 1
1 424 . 1 1 1 A 41 41 THR H H 41 9.103 9.011 0.092 1
1 425 . 1 1 1 A 41 41 THR HA H 41 5.341 4.901 0.440 1
1 430 . 1 1 1 A 41 41 THR C C 41 173.042 173.081 -0.039 1
1 431 . 1 1 1 A 41 41 THR CA C 41 60.118 60.167 -0.049 1
1 432 . 1 1 1 A 41 41 THR CB C 41 71.493 69.841 1.652 1
1 434 . 1 1 1 A 41 41 THR N N 41 117.923 116.396 1.527 1
1 435 . 1 1 1 A 42 42 TYR H H 42 9.073 8.870 0.203 1
1 436 . 1 1 1 A 42 42 TYR HA H 42 5.915 5.681 0.234 1
1 443 . 1 1 1 A 42 42 TYR C C 42 173.637 174.437 -0.800 1
1 444 . 1 1 1 A 42 42 TYR CA C 42 55.146 55.758 -0.612 1
1 445 . 1 1 1 A 42 42 TYR CB C 42 42.124 41.417 0.707 1
1 450 . 1 1 1 A 42 42 TYR N N 42 118.958 122.662 -3.704 1
1 451 . 1 1 1 A 43 43 ALA H H 43 8.508 9.065 -0.557 1
1 452 . 1 1 1 A 43 43 ALA HA H 43 5.099 4.893 0.206 1
1 456 . 1 1 1 A 43 43 ALA C C 43 173.859 174.246 -0.387 1
1 457 . 1 1 1 A 43 43 ALA CA C 43 50.156 50.536 -0.380 1
1 458 . 1 1 1 A 43 43 ALA CB C 43 21.455 22.333 -0.878 1
1 459 . 1 1 1 A 43 43 ALA N N 43 122.386 121.480 0.906 1
1 460 . 1 1 1 A 44 44 PRO HA H 44 4.079 4.316 -0.237 1
1 467 . 1 1 1 A 44 44 PRO C C 44 178.191 177.473 0.718 1
1 468 . 1 1 1 A 44 44 PRO CA C 44 63.194 62.326 0.868 1
1 469 . 1 1 1 A 44 44 PRO CB C 44 31.525 30.649 0.876 1
1 472 . 1 1 1 A 45 45 ALA H H 45 8.934 8.523 0.411 1
1 473 . 1 1 1 A 45 45 ALA HA H 45 3.965 3.992 -0.027 1
1 477 . 1 1 1 A 45 45 ALA C C 45 177.272 179.439 -2.167 1
1 478 . 1 1 1 A 45 45 ALA CA C 45 53.911 55.354 -1.443 1
1 479 . 1 1 1 A 45 45 ALA CB C 45 18.221 18.608 -0.387 1
1 480 . 1 1 1 A 45 45 ALA N N 45 129.632 128.168 1.464 1
1 481 . 1 1 1 A 46 46 SER H H 46 8.311 7.761 0.550 1
1 482 . 1 1 1 A 46 46 SER HA H 46 4.193 4.160 0.033 1
1 485 . 1 1 1 A 46 46 SER C C 46 175.546 175.192 0.354 1
1 486 . 1 1 1 A 46 46 SER CA C 46 58.584 59.993 -1.409 1
1 487 . 1 1 1 A 46 46 SER CB C 46 63.543 64.206 -0.663 1
1 488 . 1 1 1 A 46 46 SER N N 46 111.878 110.750 1.128 1
1 489 . 1 1 1 A 47 47 GLY H H 47 7.743 8.181 -0.438 1
1 490 . 1 1 1 A 47 47 GLY HA2 H 47 4.203 3.982 0.221 1
1 491 . 1 1 1 A 47 47 GLY HA3 H 47 3.840 3.988 -0.148 1
1 492 . 1 1 1 A 47 47 GLY C C 47 174.463 174.646 -0.183 1
1 493 . 1 1 1 A 47 47 GLY CA C 47 45.501 46.422 -0.921 1
1 494 . 1 1 1 A 47 47 GLY N N 47 108.526 109.643 -1.117 1
1 495 . 1 1 1 A 48 48 LEU H H 48 7.794 8.015 -0.221 1
1 496 . 1 1 1 A 48 48 LEU HA H 48 4.448 4.445 0.003 1
1 506 . 1 1 1 A 48 48 LEU C C 48 176.668 176.772 -0.104 1
1 507 . 1 1 1 A 48 48 LEU CA C 48 54.470 55.735 -1.265 1
1 508 . 1 1 1 A 48 48 LEU CB C 48 41.445 44.376 -2.931 1
1 512 . 1 1 1 A 48 48 LEU N N 48 120.348 117.765 2.583 1
1 513 . 1 1 1 A 49 49 GLY H H 49 7.889 7.842 0.047 1
1 514 . 1 1 1 A 49 49 GLY HA2 H 49 4.266 4.051 0.215 1
1 515 . 1 1 1 A 49 49 GLY HA3 H 49 3.965 4.051 -0.086 1
1 516 . 1 1 1 A 49 49 GLY C C 49 170.653 172.826 -2.173 1
1 517 . 1 1 1 A 49 49 GLY CA C 49 44.151 43.831 0.320 1
1 518 . 1 1 1 A 49 49 GLY N N 49 108.892 106.524 2.368 1
1 519 . 1 1 1 A 50 50 PRO HA H 50 4.483 4.509 -0.026 1
1 526 . 1 1 1 A 50 50 PRO C C 50 176.143 175.557 0.586 1
1 527 . 1 1 1 A 50 50 PRO CA C 50 62.639 62.606 0.033 1
1 528 . 1 1 1 A 50 50 PRO CB C 50 32.575 32.764 -0.189 1
1 531 . 1 1 1 A 51 51 GLU H H 51 8.463 8.576 -0.113 1
1 532 . 1 1 1 A 51 51 GLU HA H 51 4.560 4.691 -0.131 1
1 537 . 1 1 1 A 51 51 GLU C C 51 175.792 175.334 0.458 1
1 538 . 1 1 1 A 51 51 GLU CA C 51 55.516 55.517 -0.001 1
1 539 . 1 1 1 A 51 51 GLU CB C 51 31.305 31.750 -0.445 1
1 541 . 1 1 1 A 51 51 GLU N N 51 121.175 120.860 0.315 1
1 542 . 1 1 1 A 52 52 LYS H H 52 8.180 8.019 0.161 1
1 543 . 1 1 1 A 52 52 LYS HA H 52 4.511 4.783 -0.272 1
1 552 . 1 1 1 A 52 52 LYS C C 52 174.000 174.842 -0.842 1
1 553 . 1 1 1 A 52 52 LYS CA C 52 54.952 54.552 0.400 1
1 554 . 1 1 1 A 52 52 LYS CB C 52 36.101 34.522 1.579 1
1 558 . 1 1 1 A 52 52 LYS N N 52 125.598 125.618 -0.020 1
1 559 . 1 1 1 A 53 53 SER H H 53 8.087 8.301 -0.214 1
1 560 . 1 1 1 A 53 53 SER HA H 53 5.637 5.118 0.519 1
1 563 . 1 1 1 A 53 53 SER C C 53 173.704 172.552 1.152 1
1 564 . 1 1 1 A 53 53 SER CA C 53 56.662 57.266 -0.604 1
1 565 . 1 1 1 A 53 53 SER CB C 53 67.219 65.744 1.475 1
1 566 . 1 1 1 A 53 53 SER N N 53 112.778 113.453 -0.675 1
1 567 . 1 1 1 A 54 54 VAL H H 54 8.940 8.749 0.191 1
1 568 . 1 1 1 A 54 54 VAL HA H 54 4.314 4.835 -0.521 1
1 576 . 1 1 1 A 54 54 VAL C C 54 172.304 174.229 -1.925 1
1 577 . 1 1 1 A 54 54 VAL CA C 54 60.506 59.397 1.109 1
1 578 . 1 1 1 A 54 54 VAL CB C 54 36.121 35.562 0.559 1
1 581 . 1 1 1 A 54 54 VAL N N 54 119.961 119.241 0.720 1
1 582 . 1 1 1 A 55 55 SER H H 55 8.180 8.788 -0.608 1
1 583 . 1 1 1 A 55 55 SER HA H 55 5.461 4.799 0.662 1
1 586 . 1 1 1 A 55 55 SER C C 55 174.870 174.109 0.761 1
1 587 . 1 1 1 A 55 55 SER CA C 55 56.065 58.659 -2.594 1
1 588 . 1 1 1 A 55 55 SER CB C 55 64.094 64.218 -0.124 1
1 589 . 1 1 1 A 55 55 SER N N 55 117.963 120.759 -2.796 1
1 590 . 1 1 1 A 56 56 VAL H H 56 9.201 8.537 0.664 1
1 591 . 1 1 1 A 56 56 VAL HA H 56 4.780 4.667 0.113 1
1 599 . 1 1 1 A 56 56 VAL C C 56 173.446 173.665 -0.219 1
1 600 . 1 1 1 A 56 56 VAL CA C 56 58.760 59.103 -0.343 1
1 601 . 1 1 1 A 56 56 VAL CB C 56 35.954 35.848 0.106 1
1 604 . 1 1 1 A 56 56 VAL N N 56 127.863 125.190 2.673 1
1 605 . 1 1 1 A 57 57 PRO HA H 57 4.582 4.630 -0.048 1
1 612 . 1 1 1 A 57 57 PRO C C 57 176.776 178.436 -1.660 1
1 613 . 1 1 1 A 57 57 PRO CA C 57 64.226 63.252 0.974 1
1 614 . 1 1 1 A 57 57 PRO CB C 57 33.063 31.703 1.360 1
1 617 . 1 1 1 A 58 58 GLY H H 58 7.663 8.727 -1.064 1
1 618 . 1 1 1 A 58 58 GLY HA2 H 58 3.684 3.088 0.596 1
1 619 . 1 1 1 A 58 58 GLY HA3 H 58 3.620 3.480 0.140 1
1 620 . 1 1 1 A 58 58 GLY C C 58 173.755 175.518 -1.763 1
1 621 . 1 1 1 A 58 58 GLY CA C 58 46.877 46.794 0.083 1
1 622 . 1 1 1 A 58 58 GLY N N 58 106.964 112.866 -5.902 1
1 623 . 1 1 1 A 59 59 ALA H H 59 7.900 8.073 -0.173 1
1 624 . 1 1 1 A 59 59 ALA HA H 59 4.516 4.027 0.489 1
1 628 . 1 1 1 A 59 59 ALA C C 59 178.104 177.637 0.467 1
1 629 . 1 1 1 A 59 59 ALA CA C 59 52.713 54.909 -2.196 1
1 630 . 1 1 1 A 59 59 ALA CB C 59 19.380 18.911 0.469 1
1 631 . 1 1 1 A 59 59 ALA N N 59 119.932 123.805 -3.873 1
1 632 . 1 1 1 A 60 60 ARG H H 60 8.306 8.157 0.149 1
1 633 . 1 1 1 A 60 60 ARG HA H 60 4.559 4.813 -0.254 1
1 640 . 1 1 1 A 60 60 ARG C C 60 174.842 175.881 -1.039 1
1 641 . 1 1 1 A 60 60 ARG CA C 60 55.357 55.280 0.077 1
1 642 . 1 1 1 A 60 60 ARG CB C 60 32.823 32.010 0.813 1
1 645 . 1 1 1 A 60 60 ARG N N 60 118.739 116.179 2.560 1
1 646 . 1 1 1 A 61 61 SER H H 61 8.229 8.864 -0.635 1
1 647 . 1 1 1 A 61 61 SER HA H 61 3.709 4.603 -0.894 1
1 650 . 1 1 1 A 61 61 SER C C 61 170.973 172.731 -1.758 1
1 651 . 1 1 1 A 61 61 SER CA C 61 56.045 57.032 -0.987 1
1 652 . 1 1 1 A 61 61 SER CB C 61 63.329 62.856 0.473 1
1 653 . 1 1 1 A 61 61 SER N N 61 110.956 113.053 -2.097 1
1 654 . 1 1 1 A 62 62 HIS H H 62 6.458 7.114 -0.656 1
1 655 . 1 1 1 A 62 62 HIS HA H 62 4.626 4.519 0.107 1
1 660 . 1 1 1 A 62 62 HIS C C 62 173.581 173.227 0.354 1
1 661 . 1 1 1 A 62 62 HIS CA C 62 54.494 53.651 0.843 1
1 662 . 1 1 1 A 62 62 HIS CB C 62 32.485 32.096 0.389 1
1 665 . 1 1 1 A 62 62 HIS N N 62 113.571 116.081 -2.510 1
1 666 . 1 1 1 A 63 63 VAL H H 63 8.794 8.567 0.227 1
1 667 . 1 1 1 A 63 63 VAL HA H 63 4.325 4.413 -0.088 1
1 675 . 1 1 1 A 63 63 VAL C C 63 171.906 173.894 -1.988 1
1 676 . 1 1 1 A 63 63 VAL CA C 63 61.052 60.520 0.532 1
1 677 . 1 1 1 A 63 63 VAL CB C 63 34.800 34.427 0.373 1
1 680 . 1 1 1 A 63 63 VAL N N 63 118.122 118.958 -0.836 1
1 681 . 1 1 1 A 64 64 THR H H 64 8.316 8.681 -0.365 1
1 682 . 1 1 1 A 64 64 THR HA H 64 4.970 4.903 0.067 1
1 687 . 1 1 1 A 64 64 THR C C 64 173.412 173.264 0.148 1
1 688 . 1 1 1 A 64 64 THR CA C 64 61.775 61.634 0.141 1
1 689 . 1 1 1 A 64 64 THR CB C 64 69.851 70.414 -0.563 1
1 691 . 1 1 1 A 64 64 THR N N 64 122.871 123.035 -0.164 1
1 692 . 1 1 1 A 65 65 LEU H H 65 9.348 8.345 1.003 1
1 693 . 1 1 1 A 65 65 LEU HA H 65 4.584 4.745 -0.161 1
1 703 . 1 1 1 A 65 65 LEU C C 65 173.397 174.938 -1.541 1
1 704 . 1 1 1 A 65 65 LEU CA C 65 50.297 51.134 -0.837 1
1 705 . 1 1 1 A 65 65 LEU CB C 65 41.547 42.036 -0.489 1
1 709 . 1 1 1 A 65 65 LEU N N 65 129.778 127.955 1.823 1
1 710 . 1 1 1 A 66 66 PRO HA H 66 4.868 4.367 0.501 1
1 717 . 1 1 1 A 66 66 PRO C C 66 175.188 176.240 -1.052 1
1 718 . 1 1 1 A 66 66 PRO CA C 66 61.370 62.675 -1.305 1
1 719 . 1 1 1 A 66 66 PRO CB C 66 33.700 32.683 1.017 1
1 722 . 1 1 1 A 67 67 ASP H H 67 8.729 8.833 -0.104 1
1 723 . 1 1 1 A 67 67 ASP HA H 67 4.333 4.103 0.230 1
1 726 . 1 1 1 A 67 67 ASP C C 67 175.824 175.220 0.604 1
1 727 . 1 1 1 A 67 67 ASP CA C 67 55.181 54.703 0.478 1
1 728 . 1 1 1 A 67 67 ASP CB C 67 39.225 39.654 -0.429 1
1 729 . 1 1 1 A 67 67 ASP N N 67 113.984 116.212 -2.228 1
1 730 . 1 1 1 A 68 68 LEU H H 68 8.599 7.799 0.800 1
1 731 . 1 1 1 A 68 68 LEU HA H 68 4.414 4.684 -0.270 1
1 741 . 1 1 1 A 68 68 LEU C C 68 176.487 176.456 0.031 1
1 742 . 1 1 1 A 68 68 LEU CA C 68 53.259 53.186 0.073 1
1 743 . 1 1 1 A 68 68 LEU CB C 68 41.630 43.762 -2.132 1
1 747 . 1 1 1 A 68 68 LEU N N 68 118.102 118.647 -0.545 1
1 748 . 1 1 1 A 69 69 GLN H H 69 8.114 8.439 -0.325 1
1 749 . 1 1 1 A 69 69 GLN HA H 69 4.349 4.764 -0.415 1
1 756 . 1 1 1 A 69 69 GLN C C 69 175.669 175.007 0.662 1
1 757 . 1 1 1 A 69 69 GLN CA C 69 54.722 54.651 0.071 1
1 758 . 1 1 1 A 69 69 GLN CB C 69 30.803 31.215 -0.412 1
1 760 . 1 1 1 A 69 69 GLN N N 69 118.191 120.211 -2.020 1
1 762 . 1 1 1 A 70 70 ALA H H 70 8.240 8.743 -0.503 1
1 763 . 1 1 1 A 70 70 ALA HA H 70 4.835 4.848 -0.013 1
1 767 . 1 1 1 A 70 70 ALA C C 70 178.720 176.872 1.848 1
1 768 . 1 1 1 A 70 70 ALA CA C 70 52.501 50.287 2.214 1
1 769 . 1 1 1 A 70 70 ALA CB C 70 20.257 21.914 -1.657 1
1 770 . 1 1 1 A 70 70 ALA N N 70 124.989 121.249 3.740 1
1 771 . 1 1 1 A 71 71 ALA H H 71 8.003 8.060 -0.057 1
1 772 . 1 1 1 A 71 71 ALA HA H 71 3.974 3.868 0.106 1
1 776 . 1 1 1 A 71 71 ALA C C 71 176.118 175.880 0.238 1
1 777 . 1 1 1 A 71 71 ALA CA C 71 52.491 52.947 -0.456 1
1 778 . 1 1 1 A 71 71 ALA CB C 71 18.439 17.612 0.827 1
1 779 . 1 1 1 A 71 71 ALA N N 71 128.133 119.395 8.738 1
1 780 . 1 1 1 A 72 72 THR H H 72 8.391 8.115 0.276 1
1 781 . 1 1 1 A 72 72 THR HA H 72 4.563 4.785 -0.222 1
1 786 . 1 1 1 A 72 72 THR C C 72 172.643 174.201 -1.558 1
1 787 . 1 1 1 A 72 72 THR CA C 72 62.856 61.489 1.367 1
1 788 . 1 1 1 A 72 72 THR CB C 72 71.924 71.414 0.510 1
1 790 . 1 1 1 A 72 72 THR N N 72 114.280 110.715 3.565 1
1 791 . 1 1 1 A 73 73 LYS H H 73 8.691 8.405 0.286 1
1 792 . 1 1 1 A 73 73 LYS HA H 73 4.846 4.800 0.046 1
1 801 . 1 1 1 A 73 73 LYS C C 73 176.405 175.504 0.901 1
1 802 . 1 1 1 A 73 73 LYS CA C 73 55.992 55.862 0.130 1
1 803 . 1 1 1 A 73 73 LYS CB C 73 33.535 33.096 0.439 1
1 807 . 1 1 1 A 73 73 LYS N N 73 125.989 126.044 -0.055 1
1 808 . 1 1 1 A 74 74 TYR H H 74 9.569 8.654 0.915 1
1 809 . 1 1 1 A 74 74 TYR HA H 74 4.758 5.243 -0.485 1
1 816 . 1 1 1 A 74 74 TYR C C 74 173.567 174.895 -1.328 1
1 817 . 1 1 1 A 74 74 TYR CA C 74 58.778 56.452 2.326 1
1 818 . 1 1 1 A 74 74 TYR CB C 74 42.667 42.267 0.400 1
1 823 . 1 1 1 A 74 74 TYR N N 74 126.436 117.170 9.266 1
1 824 . 1 1 1 A 75 75 ARG H H 75 9.005 8.720 0.285 1
1 825 . 1 1 1 A 75 75 ARG HA H 75 5.053 4.511 0.542 1
1 832 . 1 1 1 A 75 75 ARG C C 75 175.042 174.729 0.313 1
1 833 . 1 1 1 A 75 75 ARG CA C 75 55.027 56.125 -1.098 1
1 834 . 1 1 1 A 75 75 ARG CB C 75 32.284 30.039 2.245 1
1 837 . 1 1 1 A 75 75 ARG N N 75 121.560 124.632 -3.072 1
1 838 . 1 1 1 A 76 76 VAL H H 76 9.127 8.751 0.376 1
1 839 . 1 1 1 A 76 76 VAL HA H 76 4.977 4.494 0.483 1
1 847 . 1 1 1 A 76 76 VAL C C 76 173.144 175.590 -2.446 1
1 848 . 1 1 1 A 76 76 VAL CA C 76 60.876 62.690 -1.814 1
1 849 . 1 1 1 A 76 76 VAL CB C 76 34.922 31.827 3.095 1
1 852 . 1 1 1 A 76 76 VAL N N 76 127.571 126.687 0.884 1
1 853 . 1 1 1 A 77 77 LEU H H 77 9.083 8.928 0.155 1
1 854 . 1 1 1 A 77 77 LEU HA H 77 5.350 5.427 -0.077 1
1 864 . 1 1 1 A 77 77 LEU C C 77 176.622 175.598 1.024 1
1 865 . 1 1 1 A 77 77 LEU CA C 77 53.911 53.533 0.378 1
1 866 . 1 1 1 A 77 77 LEU CB C 77 44.959 43.062 1.897 1
1 870 . 1 1 1 A 77 77 LEU N N 77 127.310 128.872 -1.562 1
1 871 . 1 1 1 A 78 78 VAL H H 78 8.918 8.797 0.121 1
1 872 . 1 1 1 A 78 78 VAL HA H 78 4.890 4.686 0.204 1
1 880 . 1 1 1 A 78 78 VAL C C 78 174.235 174.795 -0.560 1
1 881 . 1 1 1 A 78 78 VAL CA C 78 61.193 60.826 0.367 1
1 882 . 1 1 1 A 78 78 VAL CB C 78 34.718 33.260 1.458 1
1 885 . 1 1 1 A 78 78 VAL N N 78 119.228 126.638 -7.410 1
1 886 . 1 1 1 A 79 79 SER H H 79 8.598 8.749 -0.151 1
1 887 . 1 1 1 A 79 79 SER HA H 79 4.725 5.062 -0.337 1
1 890 . 1 1 1 A 79 79 SER C C 79 172.877 172.559 0.318 1
1 891 . 1 1 1 A 79 79 SER CA C 79 56.680 57.233 -0.553 1
1 892 . 1 1 1 A 79 79 SER CB C 79 65.806 66.578 -0.772 1
1 893 . 1 1 1 A 79 79 SER N N 79 119.664 118.736 0.928 1
1 894 . 1 1 1 A 80 80 ALA H H 80 8.939 8.170 0.769 1
1 895 . 1 1 1 A 80 80 ALA HA H 80 4.325 4.830 -0.505 1
1 899 . 1 1 1 A 80 80 ALA C C 80 174.050 176.596 -2.546 1
1 900 . 1 1 1 A 80 80 ALA CA C 80 51.126 51.255 -0.129 1
1 901 . 1 1 1 A 80 80 ALA CB C 80 21.990 19.923 2.067 1
1 902 . 1 1 1 A 80 80 ALA N N 80 126.283 127.099 -0.816 1
1 903 . 1 1 1 A 81 81 ILE H H 81 8.424 8.415 0.009 1
1 904 . 1 1 1 A 81 81 ILE HA H 81 4.116 4.602 -0.486 1
1 914 . 1 1 1 A 81 81 ILE C C 81 173.862 174.417 -0.555 1
1 915 . 1 1 1 A 81 81 ILE CA C 81 61.175 60.464 0.711 1
1 916 . 1 1 1 A 81 81 ILE CB C 81 36.015 38.565 -2.550 1
1 920 . 1 1 1 A 81 81 ILE N N 81 123.033 123.000 0.033 1
1 921 . 1 1 1 A 82 82 TYR H H 82 8.377 8.828 -0.451 1
1 922 . 1 1 1 A 82 82 TYR HA H 82 4.681 4.857 -0.176 1
1 929 . 1 1 1 A 82 82 TYR C C 82 176.146 176.498 -0.352 1
1 930 . 1 1 1 A 82 82 TYR CA C 82 56.309 57.238 -0.929 1
1 931 . 1 1 1 A 82 82 TYR CB C 82 40.734 42.233 -1.499 1
1 936 . 1 1 1 A 82 82 TYR N N 82 125.168 126.019 -0.851 1
1 937 . 1 1 1 A 83 83 ALA H H 83 9.437 9.045 0.392 1
1 938 . 1 1 1 A 83 83 ALA HA H 83 4.059 4.114 -0.055 1
1 942 . 1 1 1 A 83 83 ALA C C 83 179.312 180.036 -0.724 1
1 943 . 1 1 1 A 83 83 ALA CA C 83 55.729 55.572 0.157 1
1 944 . 1 1 1 A 83 83 ALA CB C 83 17.613 18.048 -0.435 1
1 945 . 1 1 1 A 83 83 ALA N N 83 125.234 123.976 1.258 1
1 946 . 1 1 1 A 84 84 ALA H H 84 7.823 7.856 -0.033 1
1 947 . 1 1 1 A 84 84 ALA HA H 84 4.434 4.168 0.266 1
1 951 . 1 1 1 A 84 84 ALA C C 84 176.808 177.509 -0.701 1
1 952 . 1 1 1 A 84 84 ALA CA C 84 51.936 54.694 -2.758 1
1 953 . 1 1 1 A 84 84 ALA CB C 84 19.514 19.906 -0.392 1
1 954 . 1 1 1 A 84 84 ALA N N 84 114.587 120.598 -6.011 1
1 955 . 1 1 1 A 85 85 GLY H H 85 7.366 7.415 -0.049 1
1 956 . 1 1 1 A 85 85 GLY HA2 H 85 4.362 4.024 0.338 1
1 957 . 1 1 1 A 85 85 GLY HA3 H 85 3.835 4.030 -0.195 1
1 958 . 1 1 1 A 85 85 GLY C C 85 171.544 171.780 -0.236 1
1 959 . 1 1 1 A 85 85 GLY CA C 85 44.576 45.741 -1.165 1
1 960 . 1 1 1 A 85 85 GLY N N 85 105.342 101.968 3.374 1
1 961 . 1 1 1 A 86 86 ARG H H 86 8.626 8.346 0.280 1
1 962 . 1 1 1 A 86 86 ARG HA H 86 5.263 5.335 -0.072 1
1 969 . 1 1 1 A 86 86 ARG C C 86 176.925 176.052 0.873 1
1 970 . 1 1 1 A 86 86 ARG CA C 86 54.863 55.345 -0.482 1
1 971 . 1 1 1 A 86 86 ARG CB C 86 33.491 32.039 1.452 1
1 974 . 1 1 1 A 86 86 ARG N N 86 118.147 117.139 1.008 1
1 975 . 1 1 1 A 87 87 SER H H 87 9.496 9.191 0.305 1
1 976 . 1 1 1 A 87 87 SER HA H 87 4.747 4.694 0.053 1
1 979 . 1 1 1 A 87 87 SER C C 87 174.538 174.590 -0.052 1
1 980 . 1 1 1 A 87 87 SER CA C 87 58.284 57.800 0.484 1
1 981 . 1 1 1 A 87 87 SER CB C 87 67.271 65.581 1.690 1
1 982 . 1 1 1 A 87 87 SER N N 87 119.835 114.742 5.093 1
1 983 . 1 1 1 A 88 88 GLU H H 88 9.058 8.556 0.502 1
1 984 . 1 1 1 A 88 88 GLU HA H 88 4.342 4.231 0.111 1
1 989 . 1 1 1 A 88 88 GLU C C 88 176.157 175.746 0.411 1
1 990 . 1 1 1 A 88 88 GLU CA C 88 56.874 55.946 0.928 1
1 991 . 1 1 1 A 88 88 GLU CB C 88 30.350 30.289 0.061 1
1 993 . 1 1 1 A 88 88 GLU N N 88 119.700 120.164 -0.464 1
1 994 . 1 1 1 A 89 89 ALA H H 89 8.674 8.499 0.175 1
1 995 . 1 1 1 A 89 89 ALA HA H 89 4.918 5.502 -0.584 1
1 999 . 1 1 1 A 89 89 ALA C C 89 178.887 176.303 2.584 1
1 1000 . 1 1 1 A 89 89 ALA CA C 89 51.340 50.096 1.244 1
1 1001 . 1 1 1 A 89 89 ALA CB C 89 20.130 21.931 -1.801 1
1 1002 . 1 1 1 A 89 89 ALA N N 89 125.485 122.221 3.264 1
1 1003 . 1 1 1 A 90 90 VAL H H 90 8.621 8.867 -0.246 1
1 1004 . 1 1 1 A 90 90 VAL HA H 90 4.562 4.855 -0.293 1
1 1012 . 1 1 1 A 90 90 VAL C C 90 174.251 175.408 -1.157 1
1 1013 . 1 1 1 A 90 90 VAL CA C 90 60.365 60.465 -0.100 1
1 1014 . 1 1 1 A 90 90 VAL CB C 90 33.770 33.589 0.181 1
1 1017 . 1 1 1 A 90 90 VAL N N 90 119.440 118.269 1.171 1
1 1018 . 1 1 1 A 91 91 SER H H 91 8.373 8.898 -0.525 1
1 1019 . 1 1 1 A 91 91 SER HA H 91 5.877 5.297 0.580 1
1 1022 . 1 1 1 A 91 91 SER C C 91 174.245 173.626 0.619 1
1 1023 . 1 1 1 A 91 91 SER CA C 91 56.109 56.955 -0.846 1
1 1024 . 1 1 1 A 91 91 SER CB C 91 67.620 64.931 2.689 1
1 1025 . 1 1 1 A 91 91 SER N N 91 116.084 121.678 -5.594 1
1 1026 . 1 1 1 A 92 92 ALA H H 92 8.900 8.777 0.123 1
1 1027 . 1 1 1 A 92 92 ALA HA H 92 4.681 4.936 -0.255 1
1 1031 . 1 1 1 A 92 92 ALA C C 92 175.187 176.381 -1.194 1
1 1032 . 1 1 1 A 92 92 ALA CA C 92 51.990 51.956 0.034 1
1 1033 . 1 1 1 A 92 92 ALA CB C 92 23.056 21.435 1.621 1
1 1034 . 1 1 1 A 92 92 ALA N N 92 123.885 122.283 1.602 1
1 1035 . 1 1 1 A 93 93 THR H H 93 8.466 8.672 -0.206 1
1 1036 . 1 1 1 A 93 93 THR HA H 93 5.623 5.276 0.347 1
1 1041 . 1 1 1 A 93 93 THR C C 93 174.366 174.230 0.136 1
1 1042 . 1 1 1 A 93 93 THR CA C 93 60.154 60.732 -0.578 1
1 1043 . 1 1 1 A 93 93 THR CB C 93 71.657 70.102 1.555 1
1 1045 . 1 1 1 A 93 93 THR N N 93 112.591 115.625 -3.034 1
1 1046 . 1 1 1 A 94 94 GLY H H 94 8.657 8.906 -0.249 1
1 1047 . 1 1 1 A 94 94 GLY HA2 H 94 4.483 4.328 0.155 1
1 1048 . 1 1 1 A 94 94 GLY HA3 H 94 3.625 4.337 -0.712 1
1 1049 . 1 1 1 A 94 94 GLY C C 94 170.518 173.282 -2.764 1
1 1050 . 1 1 1 A 94 94 GLY CA C 94 44.849 44.812 0.037 1
1 1051 . 1 1 1 A 94 94 GLY N N 94 111.375 111.057 0.318 1
1 1052 . 1 1 1 A 95 95 GLN H H 95 8.667 8.706 -0.039 1
1 1053 . 1 1 1 A 95 95 GLN HA H 95 5.491 4.323 1.168 1
1 1060 . 1 1 1 A 95 95 GLN C C 95 176.226 175.309 0.917 1
1 1061 . 1 1 1 A 95 95 GLN CA C 95 54.000 56.533 -2.533 1
1 1062 . 1 1 1 A 95 95 GLN CB C 95 32.822 29.192 3.630 1
1 1064 . 1 1 1 A 95 95 GLN N N 95 120.893 125.752 -4.859 1
1 1066 . 1 1 1 A 96 96 THR H H 96 8.609 8.620 -0.011 1
1 1067 . 1 1 1 A 96 96 THR HA H 96 4.384 4.480 -0.096 1
1 1072 . 1 1 1 A 96 96 THR C C 96 175.194 174.313 0.881 1
1 1073 . 1 1 1 A 96 96 THR CA C 96 60.783 61.578 -0.795 1
1 1074 . 1 1 1 A 96 96 THR CB C 96 70.198 71.224 -1.026 1
1 1076 . 1 1 1 A 96 96 THR N N 96 115.777 116.467 -0.690 1
1 1077 . 1 1 1 A 97 97 ALA H H 97 8.009 8.336 -0.327 1
1 1078 . 1 1 1 A 97 97 ALA HA H 97 4.186 4.471 -0.285 1
1 1082 . 1 1 1 A 97 97 ALA C C 97 176.174 177.004 -0.830 1
1 1083 . 1 1 1 A 97 97 ALA CA C 97 52.077 51.426 0.651 1
1 1084 . 1 1 1 A 97 97 ALA CB C 97 19.001 19.741 -0.740 1
1 1085 . 1 1 1 A 97 97 ALA N N 97 120.015 123.082 -3.067 1
1 1086 . 1 1 1 A 98 98 CYS H H 98 8.239 8.539 -0.300 1
1 1087 . 1 1 1 A 98 98 CYS HA H 98 4.705 4.781 -0.076 1
1 1090 . 1 1 1 A 98 98 CYS C C 98 173.203 173.470 -0.267 1
1 1091 . 1 1 1 A 98 98 CYS CA C 98 56.644 57.715 -1.071 1
1 1092 . 1 1 1 A 98 98 CYS CB C 98 27.357 27.566 -0.209 1
1 1093 . 1 1 1 A 98 98 CYS N N 98 116.874 118.523 -1.649 1
1 1094 . 1 1 1 A 99 99 PRO HA H 99 4.421 4.755 -0.334 1
1 1101 . 1 1 1 A 99 99 PRO CA C 99 63.337 62.830 0.507 1
1 1102 . 1 1 1 A 99 99 PRO CB C 99 32.132 31.789 0.343 1
1 1105 . 1 1 1 A 100 100 SER H H 100 8.463 8.843 -0.380 1
1 1106 . 1 1 1 A 100 100 SER HA H 100 4.470 5.135 -0.665 1
1 1109 . 1 1 1 A 100 100 SER CA C 100 58.453 57.250 1.203 1
1 1110 . 1 1 1 A 100 100 SER CB C 100 64.023 65.453 -1.430 1
1 1111 . 1 1 1 A 100 100 SER N N 100 116.426 118.038 -1.612 1
1 1112 . 1 1 1 A 101 101 GLY H H 101 8.237 8.367 -0.130 1
1 1113 . 1 1 1 A 101 101 GLY HA2 H 101 4.165 4.184 -0.019 1
1 1114 . 1 1 1 A 101 101 GLY HA3 H 101 4.100 4.185 -0.085 1
1 1115 . 1 1 1 A 101 101 GLY CA C 101 44.647 45.308 -0.661 1
1 1116 . 1 1 1 A 101 101 GLY N N 101 110.731 112.657 -1.926 1
1 1117 . 1 1 1 A 102 102 PRO HA H 102 4.484 4.766 -0.282 1
1 1123 . 1 1 1 A 102 102 PRO CA C 102 63.069 62.819 0.250 1
1 1124 . 1 1 1 A 102 102 PRO CB C 102 32.189 31.659 0.530 1
1 1127 . 1 1 1 A 103 103 SER H H 103 8.540 8.760 -0.220 1
1 1 . 2 1 1 A 5 5 SER N N 5 119.122 113.839 5.283 1
1 2 . 2 1 1 A 6 6 SER N N 6 123.945 117.321 6.624 1
1 3 . 2 1 1 A 7 7 GLY HA2 H 7 3.813 3.934 -0.121 1
1 4 . 2 1 1 A 7 7 GLY HA3 H 7 3.813 3.940 -0.127 1
1 5 . 2 1 1 A 7 7 GLY CA C 7 45.375 44.563 0.812 1
1 6 . 2 1 1 A 8 8 ARG H H 8 7.999 8.405 -0.406 1
1 7 . 2 1 1 A 8 8 ARG HA H 8 3.712 4.201 -0.489 1
1 14 . 2 1 1 A 8 8 ARG CA C 8 54.185 53.914 0.271 1
1 15 . 2 1 1 A 8 8 ARG CB C 8 29.555 33.763 -4.208 1
1 18 . 2 1 1 A 8 8 ARG N N 8 121.209 120.374 0.835 1
1 19 . 2 1 1 A 9 9 SER H H 9 7.810 8.747 -0.937 1
1 20 . 2 1 1 A 9 9 SER HA H 9 4.725 5.042 -0.317 1
1 23 . 2 1 1 A 9 9 SER CA C 9 58.455 54.614 3.841 1
1 24 . 2 1 1 A 9 9 SER CB C 9 62.966 65.382 -2.416 1
1 25 . 2 1 1 A 9 9 SER N N 9 118.072 119.309 -1.237 1
1 26 . 2 1 1 A 10 10 PRO HA H 10 5.182 4.971 0.211 1
1 33 . 2 1 1 A 10 10 PRO CA C 10 61.759 61.352 0.407 1
1 34 . 2 1 1 A 10 10 PRO CB C 10 30.280 31.638 -1.358 1
1 37 . 2 1 1 A 11 11 PRO HA H 11 4.567 4.715 -0.148 1
1 44 . 2 1 1 A 11 11 PRO C C 11 173.556 176.139 -2.583 1
1 45 . 2 1 1 A 11 11 PRO CA C 11 62.674 62.811 -0.137 1
1 46 . 2 1 1 A 11 11 PRO CB C 11 33.026 31.680 1.346 1
1 49 . 2 1 1 A 12 12 SER H H 12 8.427 8.185 0.242 1
1 50 . 2 1 1 A 12 12 SER HA H 12 4.890 4.988 -0.098 1
1 53 . 2 1 1 A 12 12 SER C C 12 173.115 173.808 -0.693 1
1 54 . 2 1 1 A 12 12 SER CA C 12 56.556 57.232 -0.676 1
1 55 . 2 1 1 A 12 12 SER CB C 12 66.882 65.808 1.074 1
1 56 . 2 1 1 A 12 12 SER N N 12 111.345 118.661 -7.316 1
1 57 . 2 1 1 A 13 13 ASN H H 13 8.973 8.809 0.164 1
1 58 . 2 1 1 A 13 13 ASN HA H 13 4.318 4.270 0.048 1
1 63 . 2 1 1 A 13 13 ASN C C 13 173.850 174.691 -0.841 1
1 64 . 2 1 1 A 13 13 ASN CA C 13 53.928 54.159 -0.231 1
1 65 . 2 1 1 A 13 13 ASN CB C 13 37.365 36.982 0.383 1
1 66 . 2 1 1 A 13 13 ASN N N 13 115.970 116.795 -0.825 1
1 68 . 2 1 1 A 14 14 LEU H H 14 8.223 8.167 0.056 1
1 69 . 2 1 1 A 14 14 LEU HA H 14 4.857 4.407 0.450 1
1 79 . 2 1 1 A 14 14 LEU C C 14 176.725 176.991 -0.266 1
1 80 . 2 1 1 A 14 14 LEU CA C 14 56.115 55.806 0.309 1
1 81 . 2 1 1 A 14 14 LEU CB C 14 42.621 41.848 0.773 1
1 85 . 2 1 1 A 14 14 LEU N N 14 119.681 119.882 -0.201 1
1 86 . 2 1 1 A 15 15 ALA H H 15 9.364 8.927 0.437 1
1 87 . 2 1 1 A 15 15 ALA HA H 15 4.736 4.963 -0.227 1
1 91 . 2 1 1 A 15 15 ALA C C 15 175.056 175.627 -0.571 1
1 92 . 2 1 1 A 15 15 ALA CA C 15 51.496 50.580 0.916 1
1 93 . 2 1 1 A 15 15 ALA CB C 15 22.285 20.578 1.707 1
1 94 . 2 1 1 A 15 15 ALA N N 15 130.359 127.607 2.752 1
1 95 . 2 1 1 A 16 16 LEU H H 16 8.448 8.915 -0.467 1
1 96 . 2 1 1 A 16 16 LEU HA H 16 5.385 4.716 0.669 1
1 106 . 2 1 1 A 16 16 LEU C C 16 175.868 175.735 0.133 1
1 107 . 2 1 1 A 16 16 LEU CA C 16 53.224 54.743 -1.519 1
1 108 . 2 1 1 A 16 16 LEU CB C 16 45.061 41.335 3.726 1
1 112 . 2 1 1 A 16 16 LEU N N 16 120.470 124.300 -3.830 1
1 113 . 2 1 1 A 17 17 ALA H H 17 8.737 9.384 -0.647 1
1 114 . 2 1 1 A 17 17 ALA HA H 17 4.620 5.233 -0.613 1
1 118 . 2 1 1 A 17 17 ALA C C 17 175.371 175.193 0.178 1
1 119 . 2 1 1 A 17 17 ALA CA C 17 51.249 50.282 0.967 1
1 120 . 2 1 1 A 17 17 ALA CB C 17 22.570 21.196 1.374 1
1 121 . 2 1 1 A 17 17 ALA N N 17 124.938 128.879 -3.941 1
1 122 . 2 1 1 A 18 18 SER H H 18 8.675 8.911 -0.236 1
1 123 . 2 1 1 A 18 18 SER HA H 18 5.021 4.664 0.357 1
1 126 . 2 1 1 A 18 18 SER C C 18 174.678 173.443 1.235 1
1 127 . 2 1 1 A 18 18 SER CA C 18 57.244 56.789 0.455 1
1 128 . 2 1 1 A 18 18 SER CB C 18 64.200 64.158 0.042 1
1 129 . 2 1 1 A 18 18 SER N N 18 113.933 119.140 -5.207 1
1 130 . 2 1 1 A 19 19 GLU H H 19 9.743 8.807 0.936 1
1 131 . 2 1 1 A 19 19 GLU HA H 19 4.466 4.629 -0.163 1
1 136 . 2 1 1 A 19 19 GLU C C 19 176.368 176.337 0.031 1
1 137 . 2 1 1 A 19 19 GLU CA C 19 56.295 57.423 -1.128 1
1 138 . 2 1 1 A 19 19 GLU CB C 19 31.532 32.019 -0.487 1
1 140 . 2 1 1 A 19 19 GLU N N 19 127.234 124.936 2.298 1
1 141 . 2 1 1 A 20 20 THR H H 20 7.759 7.230 0.529 1
1 142 . 2 1 1 A 20 20 THR HA H 20 4.935 4.695 0.240 1
1 147 . 2 1 1 A 20 20 THR C C 20 171.770 173.946 -2.176 1
1 148 . 2 1 1 A 20 20 THR CA C 20 58.337 58.267 0.070 1
1 149 . 2 1 1 A 20 20 THR CB C 20 69.869 71.723 -1.854 1
1 151 . 2 1 1 A 20 20 THR N N 20 109.600 111.420 -1.820 1
1 152 . 2 1 1 A 21 21 PRO HA H 21 4.587 4.538 0.049 1
1 159 . 2 1 1 A 21 21 PRO C C 21 173.647 176.230 -2.583 1
1 160 . 2 1 1 A 21 21 PRO CA C 21 64.332 64.118 0.214 1
1 161 . 2 1 1 A 21 21 PRO CB C 21 32.380 31.613 0.767 1
1 164 . 2 1 1 A 22 22 ASP H H 22 7.420 8.325 -0.905 1
1 165 . 2 1 1 A 22 22 ASP HA H 22 4.648 5.183 -0.535 1
1 168 . 2 1 1 A 22 22 ASP C C 22 175.838 175.387 0.451 1
1 169 . 2 1 1 A 22 22 ASP CA C 22 51.037 54.109 -3.072 1
1 170 . 2 1 1 A 22 22 ASP CB C 22 42.177 42.718 -0.541 1
1 171 . 2 1 1 A 22 22 ASP N N 22 107.201 117.500 -10.299 1
1 172 . 2 1 1 A 23 23 SER H H 23 7.729 7.598 0.131 1
1 173 . 2 1 1 A 23 23 SER HA H 23 5.474 5.053 0.421 1
1 176 . 2 1 1 A 23 23 SER C C 23 171.887 171.951 -0.064 1
1 177 . 2 1 1 A 23 23 SER CA C 23 57.481 57.538 -0.057 1
1 178 . 2 1 1 A 23 23 SER CB C 23 68.168 67.102 1.066 1
1 179 . 2 1 1 A 23 23 SER N N 23 112.046 113.479 -1.433 1
1 180 . 2 1 1 A 24 24 LEU H H 24 7.884 8.555 -0.671 1
1 181 . 2 1 1 A 24 24 LEU HA H 24 4.769 4.920 -0.151 1
1 191 . 2 1 1 A 24 24 LEU C C 24 174.542 174.322 0.220 1
1 192 . 2 1 1 A 24 24 LEU CA C 24 53.576 53.707 -0.131 1
1 193 . 2 1 1 A 24 24 LEU CB C 24 47.616 45.734 1.882 1
1 197 . 2 1 1 A 24 24 LEU N N 24 119.324 124.705 -5.381 1
1 198 . 2 1 1 A 25 25 GLN H H 25 9.356 9.108 0.248 1
1 199 . 2 1 1 A 25 25 GLN HA H 25 4.747 4.731 0.016 1
1 206 . 2 1 1 A 25 25 GLN C C 25 174.824 174.662 0.162 1
1 207 . 2 1 1 A 25 25 GLN CA C 25 55.533 55.209 0.324 1
1 208 . 2 1 1 A 25 25 GLN CB C 25 29.759 30.021 -0.262 1
1 210 . 2 1 1 A 25 25 GLN N N 25 124.019 127.823 -3.804 1
1 212 . 2 1 1 A 26 26 VAL H H 26 9.020 8.305 0.715 1
1 213 . 2 1 1 A 26 26 VAL HA H 26 4.824 4.970 -0.146 1
1 221 . 2 1 1 A 26 26 VAL C C 26 174.556 174.029 0.527 1
1 222 . 2 1 1 A 26 26 VAL CA C 26 60.629 60.085 0.544 1
1 223 . 2 1 1 A 26 26 VAL CB C 26 33.355 35.262 -1.907 1
1 226 . 2 1 1 A 26 26 VAL N N 26 127.649 125.344 2.305 1
1 227 . 2 1 1 A 27 27 SER H H 27 9.056 8.776 0.280 1
1 228 . 2 1 1 A 27 27 SER HA H 27 4.857 5.447 -0.590 1
1 231 . 2 1 1 A 27 27 SER C C 27 172.328 173.815 -1.487 1
1 232 . 2 1 1 A 27 27 SER CA C 27 57.138 56.012 1.126 1
1 233 . 2 1 1 A 27 27 SER CB C 27 66.864 65.805 1.059 1
1 234 . 2 1 1 A 27 27 SER N N 27 119.826 122.564 -2.738 1
1 235 . 2 1 1 A 28 28 TRP H H 28 7.584 8.177 -0.593 1
1 236 . 2 1 1 A 28 28 TRP HA H 28 5.022 5.538 -0.516 1
1 245 . 2 1 1 A 28 28 TRP C C 28 174.055 173.539 0.516 1
1 246 . 2 1 1 A 28 28 TRP CA C 28 56.609 54.880 1.729 1
1 247 . 2 1 1 A 28 28 TRP CB C 28 29.814 32.143 -2.329 1
1 253 . 2 1 1 A 28 28 TRP N N 28 115.280 120.201 -4.921 1
1 255 . 2 1 1 A 29 29 THR H H 29 9.293 9.204 0.089 1
1 256 . 2 1 1 A 29 29 THR HA H 29 4.865 4.802 0.063 1
1 261 . 2 1 1 A 29 29 THR C C 29 173.203 173.488 -0.285 1
1 262 . 2 1 1 A 29 29 THR CA C 29 59.889 59.340 0.549 1
1 263 . 2 1 1 A 29 29 THR CB C 29 69.774 70.058 -0.284 1
1 265 . 2 1 1 A 29 29 THR N N 29 117.164 115.833 1.331 1
1 266 . 2 1 1 A 30 30 PRO HA H 30 4.809 4.766 0.043 1
1 273 . 2 1 1 A 30 30 PRO CA C 30 61.701 61.762 -0.061 1
1 274 . 2 1 1 A 30 30 PRO CB C 30 32.114 32.185 -0.071 1
1 277 . 2 1 1 A 31 31 PRO HA H 31 4.703 4.688 0.015 1
1 284 . 2 1 1 A 31 31 PRO C C 31 175.384 176.777 -1.393 1
1 285 . 2 1 1 A 31 31 PRO CA C 31 61.793 62.369 -0.576 1
1 286 . 2 1 1 A 31 31 PRO CB C 31 32.822 33.464 -0.642 1
1 289 . 2 1 1 A 32 32 LEU H H 32 8.312 8.816 -0.504 1
1 290 . 2 1 1 A 32 32 LEU HA H 32 4.333 4.378 -0.045 1
1 300 . 2 1 1 A 32 32 LEU C C 32 177.793 178.325 -0.532 1
1 301 . 2 1 1 A 32 32 LEU CA C 32 55.851 57.200 -1.349 1
1 302 . 2 1 1 A 32 32 LEU CB C 32 41.968 42.494 -0.526 1
1 306 . 2 1 1 A 32 32 LEU N N 32 119.044 120.598 -1.554 1
1 307 . 2 1 1 A 33 33 GLY H H 33 8.147 8.000 0.147 1
1 308 . 2 1 1 A 33 33 GLY HA2 H 33 4.210 4.130 0.080 1
1 309 . 2 1 1 A 33 33 GLY HA3 H 33 4.051 4.176 -0.125 1
1 310 . 2 1 1 A 33 33 GLY C C 33 172.971 172.758 0.213 1
1 311 . 2 1 1 A 33 33 GLY CA C 33 44.216 45.223 -1.007 1
1 312 . 2 1 1 A 33 33 GLY N N 33 107.917 107.318 0.599 1
1 313 . 2 1 1 A 34 34 ARG H H 34 8.671 8.646 0.025 1
1 314 . 2 1 1 A 34 34 ARG HA H 34 4.405 4.556 -0.151 1
1 321 . 2 1 1 A 34 34 ARG C C 34 174.517 175.383 -0.866 1
1 322 . 2 1 1 A 34 34 ARG CA C 34 55.339 55.812 -0.473 1
1 323 . 2 1 1 A 34 34 ARG CB C 34 29.137 30.808 -1.671 1
1 326 . 2 1 1 A 34 34 ARG N N 34 121.152 122.381 -1.229 1
1 327 . 2 1 1 A 35 35 VAL H H 35 7.825 8.781 -0.956 1
1 328 . 2 1 1 A 35 35 VAL HA H 35 3.060 4.228 -1.168 1
1 336 . 2 1 1 A 35 35 VAL C C 35 176.613 175.339 1.274 1
1 337 . 2 1 1 A 35 35 VAL CA C 35 62.505 61.556 0.949 1
1 338 . 2 1 1 A 35 35 VAL CB C 35 32.534 32.961 -0.427 1
1 341 . 2 1 1 A 35 35 VAL N N 35 126.379 127.175 -0.796 1
1 342 . 2 1 1 A 36 36 LEU H H 36 8.874 8.327 0.547 1
1 343 . 2 1 1 A 36 36 LEU HA H 36 4.176 4.064 0.112 1
1 353 . 2 1 1 A 36 36 LEU C C 36 177.540 176.825 0.715 1
1 354 . 2 1 1 A 36 36 LEU CA C 36 57.050 57.798 -0.748 1
1 355 . 2 1 1 A 36 36 LEU CB C 36 41.723 42.409 -0.686 1
1 359 . 2 1 1 A 36 36 LEU N N 36 127.956 128.364 -0.408 1
1 360 . 2 1 1 A 37 37 HIS H H 37 7.231 7.528 -0.297 1
1 361 . 2 1 1 A 37 37 HIS HA H 37 4.615 5.019 -0.404 1
1 366 . 2 1 1 A 37 37 HIS C C 37 171.558 171.874 -0.316 1
1 367 . 2 1 1 A 37 37 HIS CA C 37 55.005 53.964 1.041 1
1 368 . 2 1 1 A 37 37 HIS CB C 37 32.039 33.426 -1.387 1
1 371 . 2 1 1 A 37 37 HIS N N 37 112.948 112.897 0.051 1
1 372 . 2 1 1 A 38 38 TYR H H 38 9.836 9.020 0.816 1
1 373 . 2 1 1 A 38 38 TYR HA H 38 5.165 4.935 0.230 1
1 378 . 2 1 1 A 38 38 TYR C C 38 174.934 174.552 0.382 1
1 379 . 2 1 1 A 38 38 TYR CA C 38 56.698 56.560 0.138 1
1 380 . 2 1 1 A 38 38 TYR CB C 38 40.251 39.433 0.818 1
1 385 . 2 1 1 A 38 38 TYR N N 38 116.581 117.469 -0.888 1
1 386 . 2 1 1 A 39 39 TRP H H 39 8.984 8.557 0.427 1
1 387 . 2 1 1 A 39 39 TRP HA H 39 5.307 4.949 0.358 1
1 396 . 2 1 1 A 39 39 TRP C C 39 173.996 174.976 -0.980 1
1 397 . 2 1 1 A 39 39 TRP CA C 39 55.798 56.418 -0.620 1
1 398 . 2 1 1 A 39 39 TRP CB C 39 31.998 29.382 2.616 1
1 404 . 2 1 1 A 39 39 TRP N N 39 124.201 128.125 -3.924 1
1 406 . 2 1 1 A 40 40 LEU H H 40 8.695 8.420 0.275 1
1 407 . 2 1 1 A 40 40 LEU HA H 40 5.636 4.761 0.875 1
1 417 . 2 1 1 A 40 40 LEU C C 40 175.416 175.042 0.374 1
1 418 . 2 1 1 A 40 40 LEU CA C 40 54.030 53.691 0.339 1
1 419 . 2 1 1 A 40 40 LEU CB C 40 44.846 44.440 0.406 1
1 423 . 2 1 1 A 40 40 LEU N N 40 132.690 129.692 2.998 1
1 424 . 2 1 1 A 41 41 THR H H 41 9.103 8.949 0.154 1
1 425 . 2 1 1 A 41 41 THR HA H 41 5.341 5.116 0.225 1
1 430 . 2 1 1 A 41 41 THR C C 41 173.042 173.092 -0.050 1
1 431 . 2 1 1 A 41 41 THR CA C 41 60.118 60.314 -0.196 1
1 432 . 2 1 1 A 41 41 THR CB C 41 71.493 70.675 0.818 1
1 434 . 2 1 1 A 41 41 THR N N 41 117.923 115.923 2.000 1
1 435 . 2 1 1 A 42 42 TYR H H 42 9.073 8.795 0.278 1
1 436 . 2 1 1 A 42 42 TYR HA H 42 5.915 5.623 0.292 1
1 443 . 2 1 1 A 42 42 TYR C C 42 173.637 174.500 -0.863 1
1 444 . 2 1 1 A 42 42 TYR CA C 42 55.146 55.304 -0.158 1
1 445 . 2 1 1 A 42 42 TYR CB C 42 42.124 41.419 0.705 1
1 450 . 2 1 1 A 42 42 TYR N N 42 118.958 122.669 -3.711 1
1 451 . 2 1 1 A 43 43 ALA H H 43 8.508 8.610 -0.102 1
1 452 . 2 1 1 A 43 43 ALA HA H 43 5.099 4.752 0.347 1
1 456 . 2 1 1 A 43 43 ALA C C 43 173.859 174.148 -0.289 1
1 457 . 2 1 1 A 43 43 ALA CA C 43 50.156 50.048 0.108 1
1 458 . 2 1 1 A 43 43 ALA CB C 43 21.455 22.246 -0.791 1
1 459 . 2 1 1 A 43 43 ALA N N 43 122.386 121.605 0.781 1
1 460 . 2 1 1 A 44 44 PRO HA H 44 4.079 4.250 -0.171 1
1 467 . 2 1 1 A 44 44 PRO C C 44 178.191 177.404 0.787 1
1 468 . 2 1 1 A 44 44 PRO CA C 44 63.194 62.014 1.180 1
1 469 . 2 1 1 A 44 44 PRO CB C 44 31.525 29.768 1.757 1
1 472 . 2 1 1 A 45 45 ALA H H 45 8.934 8.245 0.689 1
1 473 . 2 1 1 A 45 45 ALA HA H 45 3.965 3.923 0.042 1
1 477 . 2 1 1 A 45 45 ALA C C 45 177.272 179.624 -2.352 1
1 478 . 2 1 1 A 45 45 ALA CA C 45 53.911 55.376 -1.465 1
1 479 . 2 1 1 A 45 45 ALA CB C 45 18.221 18.603 -0.382 1
1 480 . 2 1 1 A 45 45 ALA N N 45 129.632 128.256 1.376 1
1 481 . 2 1 1 A 46 46 SER H H 46 8.311 7.804 0.507 1
1 482 . 2 1 1 A 46 46 SER HA H 46 4.193 4.018 0.175 1
1 485 . 2 1 1 A 46 46 SER C C 46 175.546 174.979 0.567 1
1 486 . 2 1 1 A 46 46 SER CA C 46 58.584 61.395 -2.811 1
1 487 . 2 1 1 A 46 46 SER CB C 46 63.543 63.689 -0.146 1
1 488 . 2 1 1 A 46 46 SER N N 46 111.878 113.261 -1.383 1
1 489 . 2 1 1 A 47 47 GLY H H 47 7.743 8.170 -0.427 1
1 490 . 2 1 1 A 47 47 GLY HA2 H 47 4.203 3.983 0.220 1
1 491 . 2 1 1 A 47 47 GLY HA3 H 47 3.840 3.988 -0.148 1
1 492 . 2 1 1 A 47 47 GLY C C 47 174.463 174.497 -0.034 1
1 493 . 2 1 1 A 47 47 GLY CA C 47 45.501 46.394 -0.893 1
1 494 . 2 1 1 A 47 47 GLY N N 47 108.526 107.819 0.707 1
1 495 . 2 1 1 A 48 48 LEU H H 48 7.794 8.020 -0.226 1
1 496 . 2 1 1 A 48 48 LEU HA H 48 4.448 4.476 -0.028 1
1 506 . 2 1 1 A 48 48 LEU C C 48 176.668 176.561 0.107 1
1 507 . 2 1 1 A 48 48 LEU CA C 48 54.470 55.567 -1.097 1
1 508 . 2 1 1 A 48 48 LEU CB C 48 41.445 44.638 -3.193 1
1 512 . 2 1 1 A 48 48 LEU N N 48 120.348 117.562 2.786 1
1 513 . 2 1 1 A 49 49 GLY H H 49 7.889 7.892 -0.003 1
1 514 . 2 1 1 A 49 49 GLY HA2 H 49 4.266 4.045 0.221 1
1 515 . 2 1 1 A 49 49 GLY HA3 H 49 3.965 4.053 -0.088 1
1 516 . 2 1 1 A 49 49 GLY C C 49 170.653 173.044 -2.391 1
1 517 . 2 1 1 A 49 49 GLY CA C 49 44.151 43.990 0.161 1
1 518 . 2 1 1 A 49 49 GLY N N 49 108.892 106.026 2.866 1
1 519 . 2 1 1 A 50 50 PRO HA H 50 4.483 4.537 -0.054 1
1 526 . 2 1 1 A 50 50 PRO C C 50 176.143 175.458 0.685 1
1 527 . 2 1 1 A 50 50 PRO CA C 50 62.639 62.453 0.186 1
1 528 . 2 1 1 A 50 50 PRO CB C 50 32.575 33.007 -0.432 1
1 531 . 2 1 1 A 51 51 GLU H H 51 8.463 8.587 -0.124 1
1 532 . 2 1 1 A 51 51 GLU HA H 51 4.560 4.618 -0.058 1
1 537 . 2 1 1 A 51 51 GLU C C 51 175.792 175.352 0.440 1
1 538 . 2 1 1 A 51 51 GLU CA C 51 55.516 55.234 0.282 1
1 539 . 2 1 1 A 51 51 GLU CB C 51 31.305 32.142 -0.837 1
1 541 . 2 1 1 A 51 51 GLU N N 51 121.175 120.792 0.383 1
1 542 . 2 1 1 A 52 52 LYS H H 52 8.180 8.329 -0.149 1
1 543 . 2 1 1 A 52 52 LYS HA H 52 4.511 4.787 -0.276 1
1 552 . 2 1 1 A 52 52 LYS C C 52 174.000 175.482 -1.482 1
1 553 . 2 1 1 A 52 52 LYS CA C 52 54.952 54.800 0.152 1
1 554 . 2 1 1 A 52 52 LYS CB C 52 36.101 34.090 2.011 1
1 558 . 2 1 1 A 52 52 LYS N N 52 125.598 127.791 -2.193 1
1 559 . 2 1 1 A 53 53 SER H H 53 8.087 8.678 -0.591 1
1 560 . 2 1 1 A 53 53 SER HA H 53 5.637 5.129 0.508 1
1 563 . 2 1 1 A 53 53 SER C C 53 173.704 173.282 0.422 1
1 564 . 2 1 1 A 53 53 SER CA C 53 56.662 56.707 -0.045 1
1 565 . 2 1 1 A 53 53 SER CB C 53 67.219 65.520 1.699 1
1 566 . 2 1 1 A 53 53 SER N N 53 112.778 113.635 -0.857 1
1 567 . 2 1 1 A 54 54 VAL H H 54 8.940 8.955 -0.015 1
1 568 . 2 1 1 A 54 54 VAL HA H 54 4.314 4.816 -0.502 1
1 576 . 2 1 1 A 54 54 VAL C C 54 172.304 174.213 -1.909 1
1 577 . 2 1 1 A 54 54 VAL CA C 54 60.506 59.507 0.999 1
1 578 . 2 1 1 A 54 54 VAL CB C 54 36.121 34.907 1.214 1
1 581 . 2 1 1 A 54 54 VAL N N 54 119.961 118.673 1.288 1
1 582 . 2 1 1 A 55 55 SER H H 55 8.180 8.859 -0.679 1
1 583 . 2 1 1 A 55 55 SER HA H 55 5.461 5.007 0.454 1
1 586 . 2 1 1 A 55 55 SER C C 55 174.870 174.167 0.703 1
1 587 . 2 1 1 A 55 55 SER CA C 55 56.065 58.518 -2.453 1
1 588 . 2 1 1 A 55 55 SER CB C 55 64.094 64.041 0.053 1
1 589 . 2 1 1 A 55 55 SER N N 55 117.963 120.625 -2.662 1
1 590 . 2 1 1 A 56 56 VAL H H 56 9.201 8.657 0.544 1
1 591 . 2 1 1 A 56 56 VAL HA H 56 4.780 4.698 0.082 1
1 599 . 2 1 1 A 56 56 VAL C C 56 173.446 174.032 -0.586 1
1 600 . 2 1 1 A 56 56 VAL CA C 56 58.760 59.066 -0.306 1
1 601 . 2 1 1 A 56 56 VAL CB C 56 35.954 36.044 -0.090 1
1 604 . 2 1 1 A 56 56 VAL N N 56 127.863 126.131 1.732 1
1 605 . 2 1 1 A 57 57 PRO HA H 57 4.582 4.720 -0.138 1
1 612 . 2 1 1 A 57 57 PRO C C 57 176.776 178.472 -1.696 1
1 613 . 2 1 1 A 57 57 PRO CA C 57 64.226 63.383 0.843 1
1 614 . 2 1 1 A 57 57 PRO CB C 57 33.063 31.840 1.223 1
1 617 . 2 1 1 A 58 58 GLY H H 58 7.663 8.340 -0.677 1
1 618 . 2 1 1 A 58 58 GLY HA2 H 58 3.684 3.568 0.116 1
1 619 . 2 1 1 A 58 58 GLY HA3 H 58 3.620 3.675 -0.055 1
1 620 . 2 1 1 A 58 58 GLY C C 58 173.755 175.615 -1.860 1
1 621 . 2 1 1 A 58 58 GLY CA C 58 46.877 47.318 -0.441 1
1 622 . 2 1 1 A 58 58 GLY N N 58 106.964 113.533 -6.569 1
1 623 . 2 1 1 A 59 59 ALA H H 59 7.900 8.048 -0.148 1
1 624 . 2 1 1 A 59 59 ALA HA H 59 4.516 4.044 0.472 1
1 628 . 2 1 1 A 59 59 ALA C C 59 178.104 177.561 0.543 1
1 629 . 2 1 1 A 59 59 ALA CA C 59 52.713 54.954 -2.241 1
1 630 . 2 1 1 A 59 59 ALA CB C 59 19.380 18.879 0.501 1
1 631 . 2 1 1 A 59 59 ALA N N 59 119.932 124.176 -4.244 1
1 632 . 2 1 1 A 60 60 ARG H H 60 8.306 7.947 0.359 1
1 633 . 2 1 1 A 60 60 ARG HA H 60 4.559 4.914 -0.355 1
1 640 . 2 1 1 A 60 60 ARG C C 60 174.842 175.541 -0.699 1
1 641 . 2 1 1 A 60 60 ARG CA C 60 55.357 54.936 0.421 1
1 642 . 2 1 1 A 60 60 ARG CB C 60 32.823 32.655 0.168 1
1 645 . 2 1 1 A 60 60 ARG N N 60 118.739 116.067 2.672 1
1 646 . 2 1 1 A 61 61 SER H H 61 8.229 8.039 0.190 1
1 647 . 2 1 1 A 61 61 SER HA H 61 3.709 4.441 -0.732 1
1 650 . 2 1 1 A 61 61 SER C C 61 170.973 171.904 -0.931 1
1 651 . 2 1 1 A 61 61 SER CA C 61 56.045 56.372 -0.327 1
1 652 . 2 1 1 A 61 61 SER CB C 61 63.329 63.026 0.303 1
1 653 . 2 1 1 A 61 61 SER N N 61 110.956 112.121 -1.165 1
1 654 . 2 1 1 A 62 62 HIS H H 62 6.458 6.987 -0.529 1
1 655 . 2 1 1 A 62 62 HIS HA H 62 4.626 4.127 0.499 1
1 660 . 2 1 1 A 62 62 HIS C C 62 173.581 173.399 0.182 1
1 661 . 2 1 1 A 62 62 HIS CA C 62 54.494 54.265 0.229 1
1 662 . 2 1 1 A 62 62 HIS CB C 62 32.485 33.672 -1.187 1
1 665 . 2 1 1 A 62 62 HIS N N 62 113.571 119.285 -5.714 1
1 666 . 2 1 1 A 63 63 VAL H H 63 8.794 8.410 0.384 1
1 667 . 2 1 1 A 63 63 VAL HA H 63 4.325 4.542 -0.217 1
1 675 . 2 1 1 A 63 63 VAL C C 63 171.906 173.841 -1.935 1
1 676 . 2 1 1 A 63 63 VAL CA C 63 61.052 60.427 0.625 1
1 677 . 2 1 1 A 63 63 VAL CB C 63 34.800 34.828 -0.028 1
1 680 . 2 1 1 A 63 63 VAL N N 63 118.122 119.142 -1.020 1
1 681 . 2 1 1 A 64 64 THR H H 64 8.316 8.757 -0.441 1
1 682 . 2 1 1 A 64 64 THR HA H 64 4.970 5.026 -0.056 1
1 687 . 2 1 1 A 64 64 THR C C 64 173.412 172.998 0.414 1
1 688 . 2 1 1 A 64 64 THR CA C 64 61.775 61.434 0.341 1
1 689 . 2 1 1 A 64 64 THR CB C 64 69.851 70.529 -0.678 1
1 691 . 2 1 1 A 64 64 THR N N 64 122.871 122.586 0.285 1
1 692 . 2 1 1 A 65 65 LEU H H 65 9.348 8.742 0.606 1
1 693 . 2 1 1 A 65 65 LEU HA H 65 4.584 4.692 -0.108 1
1 703 . 2 1 1 A 65 65 LEU C C 65 173.397 174.832 -1.435 1
1 704 . 2 1 1 A 65 65 LEU CA C 65 50.297 51.219 -0.922 1
1 705 . 2 1 1 A 65 65 LEU CB C 65 41.547 42.238 -0.691 1
1 709 . 2 1 1 A 65 65 LEU N N 65 129.778 126.640 3.138 1
1 710 . 2 1 1 A 66 66 PRO HA H 66 4.868 4.334 0.534 1
1 717 . 2 1 1 A 66 66 PRO C C 66 175.188 176.229 -1.041 1
1 718 . 2 1 1 A 66 66 PRO CA C 66 61.370 62.684 -1.314 1
1 719 . 2 1 1 A 66 66 PRO CB C 66 33.700 32.665 1.035 1
1 722 . 2 1 1 A 67 67 ASP H H 67 8.729 8.437 0.292 1
1 723 . 2 1 1 A 67 67 ASP HA H 67 4.333 4.093 0.240 1
1 726 . 2 1 1 A 67 67 ASP C C 67 175.824 174.969 0.855 1
1 727 . 2 1 1 A 67 67 ASP CA C 67 55.181 54.777 0.404 1
1 728 . 2 1 1 A 67 67 ASP CB C 67 39.225 39.577 -0.352 1
1 729 . 2 1 1 A 67 67 ASP N N 67 113.984 116.209 -2.225 1
1 730 . 2 1 1 A 68 68 LEU H H 68 8.599 7.422 1.177 1
1 731 . 2 1 1 A 68 68 LEU HA H 68 4.414 4.729 -0.315 1
1 741 . 2 1 1 A 68 68 LEU C C 68 176.487 175.918 0.569 1
1 742 . 2 1 1 A 68 68 LEU CA C 68 53.259 53.153 0.106 1
1 743 . 2 1 1 A 68 68 LEU CB C 68 41.630 44.668 -3.038 1
1 747 . 2 1 1 A 68 68 LEU N N 68 118.102 118.430 -0.328 1
1 748 . 2 1 1 A 69 69 GLN H H 69 8.114 8.629 -0.515 1
1 749 . 2 1 1 A 69 69 GLN HA H 69 4.349 4.782 -0.433 1
1 756 . 2 1 1 A 69 69 GLN C C 69 175.669 174.710 0.959 1
1 757 . 2 1 1 A 69 69 GLN CA C 69 54.722 54.305 0.417 1
1 758 . 2 1 1 A 69 69 GLN CB C 69 30.803 31.495 -0.692 1
1 760 . 2 1 1 A 69 69 GLN N N 69 118.191 119.663 -1.472 1
1 762 . 2 1 1 A 70 70 ALA H H 70 8.240 8.780 -0.540 1
1 763 . 2 1 1 A 70 70 ALA HA H 70 4.835 4.885 -0.050 1
1 767 . 2 1 1 A 70 70 ALA C C 70 178.720 176.956 1.764 1
1 768 . 2 1 1 A 70 70 ALA CA C 70 52.501 50.599 1.902 1
1 769 . 2 1 1 A 70 70 ALA CB C 70 20.257 21.314 -1.057 1
1 770 . 2 1 1 A 70 70 ALA N N 70 124.989 121.613 3.376 1
1 771 . 2 1 1 A 71 71 ALA H H 71 8.003 8.188 -0.185 1
1 772 . 2 1 1 A 71 71 ALA HA H 71 3.974 3.858 0.116 1
1 776 . 2 1 1 A 71 71 ALA C C 71 176.118 176.026 0.092 1
1 777 . 2 1 1 A 71 71 ALA CA C 71 52.491 53.031 -0.540 1
1 778 . 2 1 1 A 71 71 ALA CB C 71 18.439 17.637 0.802 1
1 779 . 2 1 1 A 71 71 ALA N N 71 128.133 119.384 8.749 1
1 780 . 2 1 1 A 72 72 THR H H 72 8.391 8.110 0.281 1
1 781 . 2 1 1 A 72 72 THR HA H 72 4.563 4.696 -0.133 1
1 786 . 2 1 1 A 72 72 THR C C 72 172.643 174.099 -1.456 1
1 787 . 2 1 1 A 72 72 THR CA C 72 62.856 61.614 1.242 1
1 788 . 2 1 1 A 72 72 THR CB C 72 71.924 71.403 0.521 1
1 790 . 2 1 1 A 72 72 THR N N 72 114.280 111.153 3.127 1
1 791 . 2 1 1 A 73 73 LYS H H 73 8.691 8.361 0.330 1
1 792 . 2 1 1 A 73 73 LYS HA H 73 4.846 4.792 0.054 1
1 801 . 2 1 1 A 73 73 LYS C C 73 176.405 175.623 0.782 1
1 802 . 2 1 1 A 73 73 LYS CA C 73 55.992 55.846 0.146 1
1 803 . 2 1 1 A 73 73 LYS CB C 73 33.535 33.021 0.514 1
1 807 . 2 1 1 A 73 73 LYS N N 73 125.989 125.882 0.107 1
1 808 . 2 1 1 A 74 74 TYR H H 74 9.569 8.740 0.829 1
1 809 . 2 1 1 A 74 74 TYR HA H 74 4.758 5.062 -0.304 1
1 816 . 2 1 1 A 74 74 TYR C C 74 173.567 174.758 -1.191 1
1 817 . 2 1 1 A 74 74 TYR CA C 74 58.778 56.551 2.227 1
1 818 . 2 1 1 A 74 74 TYR CB C 74 42.667 42.172 0.495 1
1 823 . 2 1 1 A 74 74 TYR N N 74 126.436 117.518 8.918 1
1 824 . 2 1 1 A 75 75 ARG H H 75 9.005 9.024 -0.019 1
1 825 . 2 1 1 A 75 75 ARG HA H 75 5.053 4.532 0.521 1
1 832 . 2 1 1 A 75 75 ARG C C 75 175.042 174.866 0.176 1
1 833 . 2 1 1 A 75 75 ARG CA C 75 55.027 56.166 -1.139 1
1 834 . 2 1 1 A 75 75 ARG CB C 75 32.284 30.222 2.062 1
1 837 . 2 1 1 A 75 75 ARG N N 75 121.560 125.165 -3.605 1
1 838 . 2 1 1 A 76 76 VAL H H 76 9.127 8.874 0.253 1
1 839 . 2 1 1 A 76 76 VAL HA H 76 4.977 4.490 0.487 1
1 847 . 2 1 1 A 76 76 VAL C C 76 173.144 175.518 -2.374 1
1 848 . 2 1 1 A 76 76 VAL CA C 76 60.876 62.446 -1.570 1
1 849 . 2 1 1 A 76 76 VAL CB C 76 34.922 31.934 2.988 1
1 852 . 2 1 1 A 76 76 VAL N N 76 127.571 126.709 0.862 1
1 853 . 2 1 1 A 77 77 LEU H H 77 9.083 9.354 -0.271 1
1 854 . 2 1 1 A 77 77 LEU HA H 77 5.350 5.488 -0.138 1
1 864 . 2 1 1 A 77 77 LEU C C 77 176.622 175.476 1.146 1
1 865 . 2 1 1 A 77 77 LEU CA C 77 53.911 53.386 0.525 1
1 866 . 2 1 1 A 77 77 LEU CB C 77 44.959 42.859 2.100 1
1 870 . 2 1 1 A 77 77 LEU N N 77 127.310 128.825 -1.515 1
1 871 . 2 1 1 A 78 78 VAL H H 78 8.918 8.679 0.239 1
1 872 . 2 1 1 A 78 78 VAL HA H 78 4.890 4.515 0.375 1
1 880 . 2 1 1 A 78 78 VAL C C 78 174.235 175.101 -0.866 1
1 881 . 2 1 1 A 78 78 VAL CA C 78 61.193 60.998 0.195 1
1 882 . 2 1 1 A 78 78 VAL CB C 78 34.718 33.349 1.369 1
1 885 . 2 1 1 A 78 78 VAL N N 78 119.228 126.431 -7.203 1
1 886 . 2 1 1 A 79 79 SER H H 79 8.598 8.556 0.042 1
1 887 . 2 1 1 A 79 79 SER HA H 79 4.725 5.010 -0.285 1
1 890 . 2 1 1 A 79 79 SER C C 79 172.877 172.916 -0.039 1
1 891 . 2 1 1 A 79 79 SER CA C 79 56.680 57.495 -0.815 1
1 892 . 2 1 1 A 79 79 SER CB C 79 65.806 65.962 -0.156 1
1 893 . 2 1 1 A 79 79 SER N N 79 119.664 123.831 -4.167 1
1 894 . 2 1 1 A 80 80 ALA H H 80 8.939 8.669 0.270 1
1 895 . 2 1 1 A 80 80 ALA HA H 80 4.325 4.633 -0.308 1
1 899 . 2 1 1 A 80 80 ALA C C 80 174.050 176.726 -2.676 1
1 900 . 2 1 1 A 80 80 ALA CA C 80 51.126 51.650 -0.524 1
1 901 . 2 1 1 A 80 80 ALA CB C 80 21.990 19.471 2.519 1
1 902 . 2 1 1 A 80 80 ALA N N 80 126.283 128.093 -1.810 1
1 903 . 2 1 1 A 81 81 ILE H H 81 8.424 8.324 0.100 1
1 904 . 2 1 1 A 81 81 ILE HA H 81 4.116 4.718 -0.602 1
1 914 . 2 1 1 A 81 81 ILE C C 81 173.862 174.436 -0.574 1
1 915 . 2 1 1 A 81 81 ILE CA C 81 61.175 60.475 0.700 1
1 916 . 2 1 1 A 81 81 ILE CB C 81 36.015 38.944 -2.929 1
1 920 . 2 1 1 A 81 81 ILE N N 81 123.033 122.249 0.784 1
1 921 . 2 1 1 A 82 82 TYR H H 82 8.377 8.708 -0.331 1
1 922 . 2 1 1 A 82 82 TYR HA H 82 4.681 4.925 -0.244 1
1 929 . 2 1 1 A 82 82 TYR C C 82 176.146 176.361 -0.215 1
1 930 . 2 1 1 A 82 82 TYR CA C 82 56.309 56.553 -0.244 1
1 931 . 2 1 1 A 82 82 TYR CB C 82 40.734 42.679 -1.945 1
1 936 . 2 1 1 A 82 82 TYR N N 82 125.168 125.726 -0.558 1
1 937 . 2 1 1 A 83 83 ALA H H 83 9.437 9.135 0.302 1
1 938 . 2 1 1 A 83 83 ALA HA H 83 4.059 4.087 -0.028 1
1 942 . 2 1 1 A 83 83 ALA C C 83 179.312 180.018 -0.706 1
1 943 . 2 1 1 A 83 83 ALA CA C 83 55.729 55.571 0.158 1
1 944 . 2 1 1 A 83 83 ALA CB C 83 17.613 18.256 -0.643 1
1 945 . 2 1 1 A 83 83 ALA N N 83 125.234 125.190 0.044 1
1 946 . 2 1 1 A 84 84 ALA H H 84 7.823 7.878 -0.055 1
1 947 . 2 1 1 A 84 84 ALA HA H 84 4.434 4.140 0.294 1
1 951 . 2 1 1 A 84 84 ALA C C 84 176.808 177.550 -0.742 1
1 952 . 2 1 1 A 84 84 ALA CA C 84 51.936 54.813 -2.877 1
1 953 . 2 1 1 A 84 84 ALA CB C 84 19.514 19.536 -0.022 1
1 954 . 2 1 1 A 84 84 ALA N N 84 114.587 119.819 -5.232 1
1 955 . 2 1 1 A 85 85 GLY H H 85 7.366 7.393 -0.027 1
1 956 . 2 1 1 A 85 85 GLY HA2 H 85 4.362 4.022 0.340 1
1 957 . 2 1 1 A 85 85 GLY HA3 H 85 3.835 4.025 -0.190 1
1 958 . 2 1 1 A 85 85 GLY C C 85 171.544 172.187 -0.643 1
1 959 . 2 1 1 A 85 85 GLY CA C 85 44.576 45.766 -1.190 1
1 960 . 2 1 1 A 85 85 GLY N N 85 105.342 101.896 3.446 1
1 961 . 2 1 1 A 86 86 ARG H H 86 8.626 8.521 0.105 1
1 962 . 2 1 1 A 86 86 ARG HA H 86 5.263 4.814 0.449 1
1 969 . 2 1 1 A 86 86 ARG C C 86 176.925 176.085 0.840 1
1 970 . 2 1 1 A 86 86 ARG CA C 86 54.863 56.034 -1.171 1
1 971 . 2 1 1 A 86 86 ARG CB C 86 33.491 30.764 2.727 1
1 974 . 2 1 1 A 86 86 ARG N N 86 118.147 118.107 0.040 1
1 975 . 2 1 1 A 87 87 SER H H 87 9.496 8.965 0.531 1
1 976 . 2 1 1 A 87 87 SER HA H 87 4.747 4.704 0.043 1
1 979 . 2 1 1 A 87 87 SER C C 87 174.538 174.618 -0.080 1
1 980 . 2 1 1 A 87 87 SER CA C 87 58.284 57.660 0.624 1
1 981 . 2 1 1 A 87 87 SER CB C 87 67.271 65.679 1.592 1
1 982 . 2 1 1 A 87 87 SER N N 87 119.835 114.650 5.185 1
1 983 . 2 1 1 A 88 88 GLU H H 88 9.058 8.594 0.464 1
1 984 . 2 1 1 A 88 88 GLU HA H 88 4.342 4.223 0.119 1
1 989 . 2 1 1 A 88 88 GLU C C 88 176.157 175.979 0.178 1
1 990 . 2 1 1 A 88 88 GLU CA C 88 56.874 56.398 0.476 1
1 991 . 2 1 1 A 88 88 GLU CB C 88 30.350 30.064 0.286 1
1 993 . 2 1 1 A 88 88 GLU N N 88 119.700 120.073 -0.373 1
1 994 . 2 1 1 A 89 89 ALA H H 89 8.674 8.535 0.139 1
1 995 . 2 1 1 A 89 89 ALA HA H 89 4.918 5.440 -0.522 1
1 999 . 2 1 1 A 89 89 ALA C C 89 178.887 176.059 2.828 1
1 1000 . 2 1 1 A 89 89 ALA CA C 89 51.340 50.279 1.061 1
1 1001 . 2 1 1 A 89 89 ALA CB C 89 20.130 21.673 -1.543 1
1 1002 . 2 1 1 A 89 89 ALA N N 89 125.485 122.783 2.702 1
1 1003 . 2 1 1 A 90 90 VAL H H 90 8.621 8.556 0.065 1
1 1004 . 2 1 1 A 90 90 VAL HA H 90 4.562 4.818 -0.256 1
1 1012 . 2 1 1 A 90 90 VAL C C 90 174.251 175.550 -1.299 1
1 1013 . 2 1 1 A 90 90 VAL CA C 90 60.365 60.481 -0.116 1
1 1014 . 2 1 1 A 90 90 VAL CB C 90 33.770 33.465 0.305 1
1 1017 . 2 1 1 A 90 90 VAL N N 90 119.440 119.132 0.308 1
1 1018 . 2 1 1 A 91 91 SER H H 91 8.373 8.796 -0.423 1
1 1019 . 2 1 1 A 91 91 SER HA H 91 5.877 5.096 0.781 1
1 1022 . 2 1 1 A 91 91 SER C C 91 174.245 173.721 0.524 1
1 1023 . 2 1 1 A 91 91 SER CA C 91 56.109 57.179 -1.070 1
1 1024 . 2 1 1 A 91 91 SER CB C 91 67.620 64.914 2.706 1
1 1025 . 2 1 1 A 91 91 SER N N 91 116.084 120.681 -4.597 1
1 1026 . 2 1 1 A 92 92 ALA H H 92 8.900 8.777 0.123 1
1 1027 . 2 1 1 A 92 92 ALA HA H 92 4.681 4.931 -0.250 1
1 1031 . 2 1 1 A 92 92 ALA C C 92 175.187 176.088 -0.901 1
1 1032 . 2 1 1 A 92 92 ALA CA C 92 51.990 51.948 0.042 1
1 1033 . 2 1 1 A 92 92 ALA CB C 92 23.056 21.530 1.526 1
1 1034 . 2 1 1 A 92 92 ALA N N 92 123.885 121.998 1.887 1
1 1035 . 2 1 1 A 93 93 THR H H 93 8.466 8.727 -0.261 1
1 1036 . 2 1 1 A 93 93 THR HA H 93 5.623 5.220 0.403 1
1 1041 . 2 1 1 A 93 93 THR C C 93 174.366 174.213 0.153 1
1 1042 . 2 1 1 A 93 93 THR CA C 93 60.154 60.668 -0.514 1
1 1043 . 2 1 1 A 93 93 THR CB C 93 71.657 70.175 1.482 1
1 1045 . 2 1 1 A 93 93 THR N N 93 112.591 115.854 -3.263 1
1 1046 . 2 1 1 A 94 94 GLY H H 94 8.657 8.941 -0.284 1
1 1047 . 2 1 1 A 94 94 GLY HA2 H 94 4.483 4.267 0.216 1
1 1048 . 2 1 1 A 94 94 GLY HA3 H 94 3.625 4.277 -0.652 1
1 1049 . 2 1 1 A 94 94 GLY C C 94 170.518 173.156 -2.638 1
1 1050 . 2 1 1 A 94 94 GLY CA C 94 44.849 44.922 -0.073 1
1 1051 . 2 1 1 A 94 94 GLY N N 94 111.375 111.396 -0.021 1
1 1052 . 2 1 1 A 95 95 GLN H H 95 8.667 8.646 0.021 1
1 1053 . 2 1 1 A 95 95 GLN HA H 95 5.491 4.347 1.144 1
1 1060 . 2 1 1 A 95 95 GLN C C 95 176.226 175.356 0.870 1
1 1061 . 2 1 1 A 95 95 GLN CA C 95 54.000 56.496 -2.496 1
1 1062 . 2 1 1 A 95 95 GLN CB C 95 32.822 29.280 3.542 1
1 1064 . 2 1 1 A 95 95 GLN N N 95 120.893 125.313 -4.420 1
1 1066 . 2 1 1 A 96 96 THR H H 96 8.609 8.675 -0.066 1
1 1067 . 2 1 1 A 96 96 THR HA H 96 4.384 4.488 -0.104 1
1 1072 . 2 1 1 A 96 96 THR C C 96 175.194 174.373 0.821 1
1 1073 . 2 1 1 A 96 96 THR CA C 96 60.783 61.605 -0.822 1
1 1074 . 2 1 1 A 96 96 THR CB C 96 70.198 71.206 -1.008 1
1 1076 . 2 1 1 A 96 96 THR N N 96 115.777 116.625 -0.848 1
1 1077 . 2 1 1 A 97 97 ALA H H 97 8.009 8.203 -0.194 1
1 1078 . 2 1 1 A 97 97 ALA HA H 97 4.186 4.458 -0.272 1
1 1082 . 2 1 1 A 97 97 ALA C C 97 176.174 177.146 -0.972 1
1 1083 . 2 1 1 A 97 97 ALA CA C 97 52.077 51.423 0.654 1
1 1084 . 2 1 1 A 97 97 ALA CB C 97 19.001 19.767 -0.766 1
1 1085 . 2 1 1 A 97 97 ALA N N 97 120.015 123.030 -3.015 1
1 1086 . 2 1 1 A 98 98 CYS H H 98 8.239 8.750 -0.511 1
1 1087 . 2 1 1 A 98 98 CYS HA H 98 4.705 4.964 -0.259 1
1 1090 . 2 1 1 A 98 98 CYS C C 98 173.203 174.711 -1.508 1
1 1091 . 2 1 1 A 98 98 CYS CA C 98 56.644 56.789 -0.145 1
1 1092 . 2 1 1 A 98 98 CYS CB C 98 27.357 29.134 -1.777 1
1 1093 . 2 1 1 A 98 98 CYS N N 98 116.874 119.880 -3.006 1
1 1094 . 2 1 1 A 99 99 PRO HA H 99 4.421 4.532 -0.111 1
1 1101 . 2 1 1 A 99 99 PRO CA C 99 63.337 63.827 -0.490 1
1 1102 . 2 1 1 A 99 99 PRO CB C 99 32.132 31.663 0.469 1
1 1105 . 2 1 1 A 100 100 SER H H 100 8.463 7.696 0.767 1
1 1106 . 2 1 1 A 100 100 SER HA H 100 4.470 4.363 0.107 1
1 1109 . 2 1 1 A 100 100 SER CA C 100 58.453 59.921 -1.468 1
1 1110 . 2 1 1 A 100 100 SER CB C 100 64.023 63.835 0.188 1
1 1111 . 2 1 1 A 100 100 SER N N 100 116.426 115.971 0.455 1
1 1112 . 2 1 1 A 101 101 GLY H H 101 8.237 8.578 -0.341 1
1 1113 . 2 1 1 A 101 101 GLY HA2 H 101 4.165 4.137 0.028 1
1 1114 . 2 1 1 A 101 101 GLY HA3 H 101 4.100 4.137 -0.037 1
1 1115 . 2 1 1 A 101 101 GLY CA C 101 44.647 44.166 0.481 1
1 1116 . 2 1 1 A 101 101 GLY N N 101 110.731 110.522 0.209 1
1 1117 . 2 1 1 A 102 102 PRO HA H 102 4.484 4.717 -0.233 1
1 1123 . 2 1 1 A 102 102 PRO CA C 102 63.069 62.825 0.244 1
1 1124 . 2 1 1 A 102 102 PRO CB C 102 32.189 31.703 0.486 1
1 1127 . 2 1 1 A 103 103 SER H H 103 8.540 8.553 -0.013 1
1 1 . 3 1 1 A 5 5 SER N N 5 119.122 121.105 -1.983 1
1 2 . 3 1 1 A 6 6 SER N N 6 123.945 121.452 2.493 1
1 3 . 3 1 1 A 7 7 GLY HA2 H 7 3.813 3.964 -0.151 1
1 4 . 3 1 1 A 7 7 GLY HA3 H 7 3.813 3.975 -0.162 1
1 5 . 3 1 1 A 7 7 GLY CA C 7 45.375 46.055 -0.680 1
1 6 . 3 1 1 A 8 8 ARG H H 8 7.999 7.643 0.356 1
1 7 . 3 1 1 A 8 8 ARG HA H 8 3.712 3.706 0.006 1
1 14 . 3 1 1 A 8 8 ARG CA C 8 54.185 55.118 -0.933 1
1 15 . 3 1 1 A 8 8 ARG CB C 8 29.555 31.650 -2.095 1
1 18 . 3 1 1 A 8 8 ARG N N 8 121.209 118.987 2.222 1
1 19 . 3 1 1 A 9 9 SER H H 9 7.810 8.533 -0.723 1
1 20 . 3 1 1 A 9 9 SER HA H 9 4.725 4.929 -0.204 1
1 23 . 3 1 1 A 9 9 SER CA C 9 58.455 54.759 3.696 1
1 24 . 3 1 1 A 9 9 SER CB C 9 62.966 65.553 -2.587 1
1 25 . 3 1 1 A 9 9 SER N N 9 118.072 118.874 -0.802 1
1 26 . 3 1 1 A 10 10 PRO HA H 10 5.182 5.063 0.119 1
1 33 . 3 1 1 A 10 10 PRO CA C 10 61.759 61.351 0.408 1
1 34 . 3 1 1 A 10 10 PRO CB C 10 30.280 31.675 -1.395 1
1 37 . 3 1 1 A 11 11 PRO HA H 11 4.567 4.652 -0.085 1
1 44 . 3 1 1 A 11 11 PRO C C 11 173.556 176.119 -2.563 1
1 45 . 3 1 1 A 11 11 PRO CA C 11 62.674 62.672 0.002 1
1 46 . 3 1 1 A 11 11 PRO CB C 11 33.026 31.581 1.445 1
1 49 . 3 1 1 A 12 12 SER H H 12 8.427 8.658 -0.231 1
1 50 . 3 1 1 A 12 12 SER HA H 12 4.890 4.976 -0.086 1
1 53 . 3 1 1 A 12 12 SER C C 12 173.115 173.805 -0.690 1
1 54 . 3 1 1 A 12 12 SER CA C 12 56.556 57.224 -0.668 1
1 55 . 3 1 1 A 12 12 SER CB C 12 66.882 65.932 0.950 1
1 56 . 3 1 1 A 12 12 SER N N 12 111.345 118.352 -7.007 1
1 57 . 3 1 1 A 13 13 ASN H H 13 8.973 8.808 0.165 1
1 58 . 3 1 1 A 13 13 ASN HA H 13 4.318 4.266 0.052 1
1 63 . 3 1 1 A 13 13 ASN C C 13 173.850 174.708 -0.858 1
1 64 . 3 1 1 A 13 13 ASN CA C 13 53.928 54.198 -0.270 1
1 65 . 3 1 1 A 13 13 ASN CB C 13 37.365 36.945 0.420 1
1 66 . 3 1 1 A 13 13 ASN N N 13 115.970 116.859 -0.889 1
1 68 . 3 1 1 A 14 14 LEU H H 14 8.223 8.155 0.068 1
1 69 . 3 1 1 A 14 14 LEU HA H 14 4.857 4.463 0.394 1
1 79 . 3 1 1 A 14 14 LEU C C 14 176.725 177.009 -0.284 1
1 80 . 3 1 1 A 14 14 LEU CA C 14 56.115 56.144 -0.029 1
1 81 . 3 1 1 A 14 14 LEU CB C 14 42.621 41.872 0.749 1
1 85 . 3 1 1 A 14 14 LEU N N 14 119.681 119.902 -0.221 1
1 86 . 3 1 1 A 15 15 ALA H H 15 9.364 8.527 0.837 1
1 87 . 3 1 1 A 15 15 ALA HA H 15 4.736 5.060 -0.324 1
1 91 . 3 1 1 A 15 15 ALA C C 15 175.056 175.514 -0.458 1
1 92 . 3 1 1 A 15 15 ALA CA C 15 51.496 50.772 0.724 1
1 93 . 3 1 1 A 15 15 ALA CB C 15 22.285 20.804 1.481 1
1 94 . 3 1 1 A 15 15 ALA N N 15 130.359 126.438 3.921 1
1 95 . 3 1 1 A 16 16 LEU H H 16 8.448 9.122 -0.674 1
1 96 . 3 1 1 A 16 16 LEU HA H 16 5.385 5.107 0.278 1
1 106 . 3 1 1 A 16 16 LEU C C 16 175.868 175.802 0.066 1
1 107 . 3 1 1 A 16 16 LEU CA C 16 53.224 53.871 -0.647 1
1 108 . 3 1 1 A 16 16 LEU CB C 16 45.061 42.462 2.599 1
1 112 . 3 1 1 A 16 16 LEU N N 16 120.470 124.207 -3.737 1
1 113 . 3 1 1 A 17 17 ALA H H 17 8.737 9.476 -0.739 1
1 114 . 3 1 1 A 17 17 ALA HA H 17 4.620 5.358 -0.738 1
1 118 . 3 1 1 A 17 17 ALA C C 17 175.371 175.144 0.227 1
1 119 . 3 1 1 A 17 17 ALA CA C 17 51.249 50.141 1.108 1
1 120 . 3 1 1 A 17 17 ALA CB C 17 22.570 21.414 1.156 1
1 121 . 3 1 1 A 17 17 ALA N N 17 124.938 128.678 -3.740 1
1 122 . 3 1 1 A 18 18 SER H H 18 8.675 8.699 -0.024 1
1 123 . 3 1 1 A 18 18 SER HA H 18 5.021 4.739 0.282 1
1 126 . 3 1 1 A 18 18 SER C C 18 174.678 175.103 -0.425 1
1 127 . 3 1 1 A 18 18 SER CA C 18 57.244 56.487 0.757 1
1 128 . 3 1 1 A 18 18 SER CB C 18 64.200 64.481 -0.281 1
1 129 . 3 1 1 A 18 18 SER N N 18 113.933 118.595 -4.662 1
1 130 . 3 1 1 A 19 19 GLU H H 19 9.743 8.824 0.919 1
1 131 . 3 1 1 A 19 19 GLU HA H 19 4.466 4.615 -0.149 1
1 136 . 3 1 1 A 19 19 GLU C C 19 176.368 176.288 0.080 1
1 137 . 3 1 1 A 19 19 GLU CA C 19 56.295 56.225 0.070 1
1 138 . 3 1 1 A 19 19 GLU CB C 19 31.532 31.367 0.165 1
1 140 . 3 1 1 A 19 19 GLU N N 19 127.234 123.378 3.856 1
1 141 . 3 1 1 A 20 20 THR H H 20 7.759 7.587 0.172 1
1 142 . 3 1 1 A 20 20 THR HA H 20 4.935 4.620 0.315 1
1 147 . 3 1 1 A 20 20 THR C C 20 171.770 173.655 -1.885 1
1 148 . 3 1 1 A 20 20 THR CA C 20 58.337 58.413 -0.076 1
1 149 . 3 1 1 A 20 20 THR CB C 20 69.869 71.367 -1.498 1
1 151 . 3 1 1 A 20 20 THR N N 20 109.600 114.073 -4.473 1
1 152 . 3 1 1 A 21 21 PRO HA H 21 4.587 4.578 0.009 1
1 159 . 3 1 1 A 21 21 PRO C C 21 173.647 176.571 -2.924 1
1 160 . 3 1 1 A 21 21 PRO CA C 21 64.332 64.052 0.280 1
1 161 . 3 1 1 A 21 21 PRO CB C 21 32.380 31.593 0.787 1
1 164 . 3 1 1 A 22 22 ASP H H 22 7.420 8.117 -0.697 1
1 165 . 3 1 1 A 22 22 ASP HA H 22 4.648 4.930 -0.282 1
1 168 . 3 1 1 A 22 22 ASP C C 22 175.838 175.478 0.360 1
1 169 . 3 1 1 A 22 22 ASP CA C 22 51.037 54.250 -3.213 1
1 170 . 3 1 1 A 22 22 ASP CB C 22 42.177 42.660 -0.483 1
1 171 . 3 1 1 A 22 22 ASP N N 22 107.201 117.622 -10.421 1
1 172 . 3 1 1 A 23 23 SER H H 23 7.729 7.674 0.055 1
1 173 . 3 1 1 A 23 23 SER HA H 23 5.474 5.292 0.182 1
1 176 . 3 1 1 A 23 23 SER C C 23 171.887 172.492 -0.605 1
1 177 . 3 1 1 A 23 23 SER CA C 23 57.481 57.366 0.115 1
1 178 . 3 1 1 A 23 23 SER CB C 23 68.168 65.872 2.296 1
1 179 . 3 1 1 A 23 23 SER N N 23 112.046 112.040 0.006 1
1 180 . 3 1 1 A 24 24 LEU H H 24 7.884 8.209 -0.325 1
1 181 . 3 1 1 A 24 24 LEU HA H 24 4.769 4.778 -0.009 1
1 191 . 3 1 1 A 24 24 LEU C C 24 174.542 174.636 -0.094 1
1 192 . 3 1 1 A 24 24 LEU CA C 24 53.576 54.141 -0.565 1
1 193 . 3 1 1 A 24 24 LEU CB C 24 47.616 45.508 2.108 1
1 197 . 3 1 1 A 24 24 LEU N N 24 119.324 123.415 -4.091 1
1 198 . 3 1 1 A 25 25 GLN H H 25 9.356 8.956 0.400 1
1 199 . 3 1 1 A 25 25 GLN HA H 25 4.747 4.461 0.286 1
1 206 . 3 1 1 A 25 25 GLN C C 25 174.824 174.972 -0.148 1
1 207 . 3 1 1 A 25 25 GLN CA C 25 55.533 56.093 -0.560 1
1 208 . 3 1 1 A 25 25 GLN CB C 25 29.759 29.724 0.035 1
1 210 . 3 1 1 A 25 25 GLN N N 25 124.019 127.837 -3.818 1
1 212 . 3 1 1 A 26 26 VAL H H 26 9.020 8.429 0.591 1
1 213 . 3 1 1 A 26 26 VAL HA H 26 4.824 4.961 -0.137 1
1 221 . 3 1 1 A 26 26 VAL C C 26 174.556 173.344 1.212 1
1 222 . 3 1 1 A 26 26 VAL CA C 26 60.629 60.120 0.509 1
1 223 . 3 1 1 A 26 26 VAL CB C 26 33.355 35.187 -1.832 1
1 226 . 3 1 1 A 26 26 VAL N N 26 127.649 124.494 3.155 1
1 227 . 3 1 1 A 27 27 SER H H 27 9.056 8.354 0.702 1
1 228 . 3 1 1 A 27 27 SER HA H 27 4.857 4.963 -0.106 1
1 231 . 3 1 1 A 27 27 SER C C 27 172.328 173.067 -0.739 1
1 232 . 3 1 1 A 27 27 SER CA C 27 57.138 56.928 0.210 1
1 233 . 3 1 1 A 27 27 SER CB C 27 66.864 66.895 -0.031 1
1 234 . 3 1 1 A 27 27 SER N N 27 119.826 124.090 -4.264 1
1 235 . 3 1 1 A 28 28 TRP H H 28 7.584 8.135 -0.551 1
1 236 . 3 1 1 A 28 28 TRP HA H 28 5.022 5.309 -0.287 1
1 245 . 3 1 1 A 28 28 TRP C C 28 174.055 172.758 1.297 1
1 246 . 3 1 1 A 28 28 TRP CA C 28 56.609 55.681 0.928 1
1 247 . 3 1 1 A 28 28 TRP CB C 28 29.814 31.243 -1.429 1
1 253 . 3 1 1 A 28 28 TRP N N 28 115.280 120.140 -4.860 1
1 255 . 3 1 1 A 29 29 THR H H 29 9.293 8.895 0.398 1
1 256 . 3 1 1 A 29 29 THR HA H 29 4.865 4.821 0.044 1
1 261 . 3 1 1 A 29 29 THR C C 29 173.203 173.461 -0.258 1
1 262 . 3 1 1 A 29 29 THR CA C 29 59.889 59.237 0.652 1
1 263 . 3 1 1 A 29 29 THR CB C 29 69.774 70.047 -0.273 1
1 265 . 3 1 1 A 29 29 THR N N 29 117.164 115.149 2.015 1
1 266 . 3 1 1 A 30 30 PRO HA H 30 4.809 4.852 -0.043 1
1 273 . 3 1 1 A 30 30 PRO CA C 30 61.701 61.829 -0.128 1
1 274 . 3 1 1 A 30 30 PRO CB C 30 32.114 32.191 -0.077 1
1 277 . 3 1 1 A 31 31 PRO HA H 31 4.703 4.724 -0.021 1
1 284 . 3 1 1 A 31 31 PRO C C 31 175.384 176.170 -0.786 1
1 285 . 3 1 1 A 31 31 PRO CA C 31 61.793 62.380 -0.587 1
1 286 . 3 1 1 A 31 31 PRO CB C 31 32.822 33.444 -0.622 1
1 289 . 3 1 1 A 32 32 LEU H H 32 8.312 8.210 0.102 1
1 290 . 3 1 1 A 32 32 LEU HA H 32 4.333 4.464 -0.131 1
1 300 . 3 1 1 A 32 32 LEU C C 32 177.793 177.909 -0.116 1
1 301 . 3 1 1 A 32 32 LEU CA C 32 55.851 55.034 0.817 1
1 302 . 3 1 1 A 32 32 LEU CB C 32 41.968 43.294 -1.326 1
1 306 . 3 1 1 A 32 32 LEU N N 32 119.044 117.651 1.393 1
1 307 . 3 1 1 A 33 33 GLY H H 33 8.147 7.889 0.258 1
1 308 . 3 1 1 A 33 33 GLY HA2 H 33 4.210 4.083 0.127 1
1 309 . 3 1 1 A 33 33 GLY HA3 H 33 4.051 4.106 -0.055 1
1 310 . 3 1 1 A 33 33 GLY C C 33 172.971 173.345 -0.374 1
1 311 . 3 1 1 A 33 33 GLY CA C 33 44.216 45.475 -1.259 1
1 312 . 3 1 1 A 33 33 GLY N N 33 107.917 108.430 -0.513 1
1 313 . 3 1 1 A 34 34 ARG H H 34 8.671 8.540 0.131 1
1 314 . 3 1 1 A 34 34 ARG HA H 34 4.405 4.319 0.086 1
1 321 . 3 1 1 A 34 34 ARG C C 34 174.517 175.394 -0.877 1
1 322 . 3 1 1 A 34 34 ARG CA C 34 55.339 57.100 -1.761 1
1 323 . 3 1 1 A 34 34 ARG CB C 34 29.137 30.801 -1.664 1
1 326 . 3 1 1 A 34 34 ARG N N 34 121.152 123.488 -2.336 1
1 327 . 3 1 1 A 35 35 VAL H H 35 7.825 8.869 -1.044 1
1 328 . 3 1 1 A 35 35 VAL HA H 35 3.060 4.276 -1.216 1
1 336 . 3 1 1 A 35 35 VAL C C 35 176.613 175.447 1.166 1
1 337 . 3 1 1 A 35 35 VAL CA C 35 62.505 61.598 0.907 1
1 338 . 3 1 1 A 35 35 VAL CB C 35 32.534 32.878 -0.344 1
1 341 . 3 1 1 A 35 35 VAL N N 35 126.379 127.202 -0.823 1
1 342 . 3 1 1 A 36 36 LEU H H 36 8.874 8.049 0.825 1
1 343 . 3 1 1 A 36 36 LEU HA H 36 4.176 4.078 0.098 1
1 353 . 3 1 1 A 36 36 LEU C C 36 177.540 176.871 0.669 1
1 354 . 3 1 1 A 36 36 LEU CA C 36 57.050 57.355 -0.305 1
1 355 . 3 1 1 A 36 36 LEU CB C 36 41.723 42.401 -0.678 1
1 359 . 3 1 1 A 36 36 LEU N N 36 127.956 128.766 -0.810 1
1 360 . 3 1 1 A 37 37 HIS H H 37 7.231 7.348 -0.117 1
1 361 . 3 1 1 A 37 37 HIS HA H 37 4.615 4.936 -0.321 1
1 366 . 3 1 1 A 37 37 HIS C C 37 171.558 171.711 -0.153 1
1 367 . 3 1 1 A 37 37 HIS CA C 37 55.005 54.176 0.829 1
1 368 . 3 1 1 A 37 37 HIS CB C 37 32.039 32.751 -0.712 1
1 371 . 3 1 1 A 37 37 HIS N N 37 112.948 112.883 0.065 1
1 372 . 3 1 1 A 38 38 TYR H H 38 9.836 8.710 1.126 1
1 373 . 3 1 1 A 38 38 TYR HA H 38 5.165 4.986 0.179 1
1 378 . 3 1 1 A 38 38 TYR C C 38 174.934 174.552 0.382 1
1 379 . 3 1 1 A 38 38 TYR CA C 38 56.698 56.568 0.130 1
1 380 . 3 1 1 A 38 38 TYR CB C 38 40.251 39.487 0.764 1
1 385 . 3 1 1 A 38 38 TYR N N 38 116.581 117.369 -0.788 1
1 386 . 3 1 1 A 39 39 TRP H H 39 8.984 8.685 0.299 1
1 387 . 3 1 1 A 39 39 TRP HA H 39 5.307 4.949 0.358 1
1 396 . 3 1 1 A 39 39 TRP C C 39 173.996 175.049 -1.053 1
1 397 . 3 1 1 A 39 39 TRP CA C 39 55.798 56.501 -0.703 1
1 398 . 3 1 1 A 39 39 TRP CB C 39 31.998 29.250 2.748 1
1 404 . 3 1 1 A 39 39 TRP N N 39 124.201 128.415 -4.214 1
1 406 . 3 1 1 A 40 40 LEU H H 40 8.695 8.439 0.256 1
1 407 . 3 1 1 A 40 40 LEU HA H 40 5.636 4.959 0.677 1
1 417 . 3 1 1 A 40 40 LEU C C 40 175.416 175.013 0.403 1
1 418 . 3 1 1 A 40 40 LEU CA C 40 54.030 53.650 0.380 1
1 419 . 3 1 1 A 40 40 LEU CB C 40 44.846 44.397 0.449 1
1 423 . 3 1 1 A 40 40 LEU N N 40 132.690 129.688 3.002 1
1 424 . 3 1 1 A 41 41 THR H H 41 9.103 9.101 0.002 1
1 425 . 3 1 1 A 41 41 THR HA H 41 5.341 4.911 0.430 1
1 430 . 3 1 1 A 41 41 THR C C 41 173.042 173.137 -0.095 1
1 431 . 3 1 1 A 41 41 THR CA C 41 60.118 60.423 -0.305 1
1 432 . 3 1 1 A 41 41 THR CB C 41 71.493 70.747 0.746 1
1 434 . 3 1 1 A 41 41 THR N N 41 117.923 115.815 2.108 1
1 435 . 3 1 1 A 42 42 TYR H H 42 9.073 8.740 0.333 1
1 436 . 3 1 1 A 42 42 TYR HA H 42 5.915 5.863 0.052 1
1 443 . 3 1 1 A 42 42 TYR C C 42 173.637 174.200 -0.563 1
1 444 . 3 1 1 A 42 42 TYR CA C 42 55.146 55.318 -0.172 1
1 445 . 3 1 1 A 42 42 TYR CB C 42 42.124 41.706 0.418 1
1 450 . 3 1 1 A 42 42 TYR N N 42 118.958 121.506 -2.548 1
1 451 . 3 1 1 A 43 43 ALA H H 43 8.508 8.651 -0.143 1
1 452 . 3 1 1 A 43 43 ALA HA H 43 5.099 4.634 0.465 1
1 456 . 3 1 1 A 43 43 ALA C C 43 173.859 176.836 -2.977 1
1 457 . 3 1 1 A 43 43 ALA CA C 43 50.156 50.260 -0.104 1
1 458 . 3 1 1 A 43 43 ALA CB C 43 21.455 22.467 -1.012 1
1 459 . 3 1 1 A 43 43 ALA N N 43 122.386 121.147 1.239 1
1 460 . 3 1 1 A 44 44 PRO HA H 44 4.079 4.017 0.062 1
1 467 . 3 1 1 A 44 44 PRO C C 44 178.191 176.449 1.742 1
1 468 . 3 1 1 A 44 44 PRO CA C 44 63.194 63.526 -0.332 1
1 469 . 3 1 1 A 44 44 PRO CB C 44 31.525 31.922 -0.397 1
1 472 . 3 1 1 A 45 45 ALA H H 45 8.934 7.887 1.047 1
1 473 . 3 1 1 A 45 45 ALA HA H 45 3.965 3.917 0.048 1
1 477 . 3 1 1 A 45 45 ALA C C 45 177.272 175.717 1.555 1
1 478 . 3 1 1 A 45 45 ALA CA C 45 53.911 53.121 0.790 1
1 479 . 3 1 1 A 45 45 ALA CB C 45 18.221 17.687 0.534 1
1 480 . 3 1 1 A 45 45 ALA N N 45 129.632 120.506 9.126 1
1 481 . 3 1 1 A 46 46 SER H H 46 8.311 7.756 0.555 1
1 482 . 3 1 1 A 46 46 SER HA H 46 4.193 4.773 -0.580 1
1 485 . 3 1 1 A 46 46 SER C C 46 175.546 173.418 2.128 1
1 486 . 3 1 1 A 46 46 SER CA C 46 58.584 56.632 1.952 1
1 487 . 3 1 1 A 46 46 SER CB C 46 63.543 65.071 -1.528 1
1 488 . 3 1 1 A 46 46 SER N N 46 111.878 110.804 1.074 1
1 489 . 3 1 1 A 47 47 GLY H H 47 7.743 9.060 -1.317 1
1 490 . 3 1 1 A 47 47 GLY HA2 H 47 4.203 3.884 0.319 1
1 491 . 3 1 1 A 47 47 GLY HA3 H 47 3.840 3.885 -0.045 1
1 492 . 3 1 1 A 47 47 GLY C C 47 174.463 175.096 -0.633 1
1 493 . 3 1 1 A 47 47 GLY CA C 47 45.501 47.035 -1.534 1
1 494 . 3 1 1 A 47 47 GLY N N 47 108.526 114.698 -6.172 1
1 495 . 3 1 1 A 48 48 LEU H H 48 7.794 7.968 -0.174 1
1 496 . 3 1 1 A 48 48 LEU HA H 48 4.448 4.642 -0.194 1
1 506 . 3 1 1 A 48 48 LEU C C 48 176.668 176.850 -0.182 1
1 507 . 3 1 1 A 48 48 LEU CA C 48 54.470 54.947 -0.477 1
1 508 . 3 1 1 A 48 48 LEU CB C 48 41.445 43.751 -2.306 1
1 512 . 3 1 1 A 48 48 LEU N N 48 120.348 119.067 1.281 1
1 513 . 3 1 1 A 49 49 GLY H H 49 7.889 7.961 -0.072 1
1 514 . 3 1 1 A 49 49 GLY HA2 H 49 4.266 4.145 0.121 1
1 515 . 3 1 1 A 49 49 GLY HA3 H 49 3.965 4.145 -0.180 1
1 516 . 3 1 1 A 49 49 GLY C C 49 170.653 172.417 -1.764 1
1 517 . 3 1 1 A 49 49 GLY CA C 49 44.151 44.103 0.048 1
1 518 . 3 1 1 A 49 49 GLY N N 49 108.892 108.778 0.114 1
1 519 . 3 1 1 A 50 50 PRO HA H 50 4.483 4.580 -0.097 1
1 526 . 3 1 1 A 50 50 PRO C C 50 176.143 175.979 0.164 1
1 527 . 3 1 1 A 50 50 PRO CA C 50 62.639 62.674 -0.035 1
1 528 . 3 1 1 A 50 50 PRO CB C 50 32.575 32.957 -0.382 1
1 531 . 3 1 1 A 51 51 GLU H H 51 8.463 8.345 0.118 1
1 532 . 3 1 1 A 51 51 GLU HA H 51 4.560 4.985 -0.425 1
1 537 . 3 1 1 A 51 51 GLU C C 51 175.792 175.358 0.434 1
1 538 . 3 1 1 A 51 51 GLU CA C 51 55.516 54.686 0.830 1
1 539 . 3 1 1 A 51 51 GLU CB C 51 31.305 32.302 -0.997 1
1 541 . 3 1 1 A 51 51 GLU N N 51 121.175 118.226 2.949 1
1 542 . 3 1 1 A 52 52 LYS H H 52 8.180 8.218 -0.038 1
1 543 . 3 1 1 A 52 52 LYS HA H 52 4.511 4.309 0.202 1
1 552 . 3 1 1 A 52 52 LYS C C 52 174.000 175.477 -1.477 1
1 553 . 3 1 1 A 52 52 LYS CA C 52 54.952 55.955 -1.003 1
1 554 . 3 1 1 A 52 52 LYS CB C 52 36.101 33.690 2.411 1
1 558 . 3 1 1 A 52 52 LYS N N 52 125.598 124.407 1.191 1
1 559 . 3 1 1 A 53 53 SER H H 53 8.087 8.543 -0.456 1
1 560 . 3 1 1 A 53 53 SER HA H 53 5.637 4.931 0.706 1
1 563 . 3 1 1 A 53 53 SER C C 53 173.704 173.310 0.394 1
1 564 . 3 1 1 A 53 53 SER CA C 53 56.662 56.706 -0.044 1
1 565 . 3 1 1 A 53 53 SER CB C 53 67.219 66.037 1.182 1
1 566 . 3 1 1 A 53 53 SER N N 53 112.778 112.732 0.046 1
1 567 . 3 1 1 A 54 54 VAL H H 54 8.940 8.756 0.184 1
1 568 . 3 1 1 A 54 54 VAL HA H 54 4.314 4.902 -0.588 1
1 576 . 3 1 1 A 54 54 VAL C C 54 172.304 173.870 -1.566 1
1 577 . 3 1 1 A 54 54 VAL CA C 54 60.506 58.951 1.555 1
1 578 . 3 1 1 A 54 54 VAL CB C 54 36.121 36.018 0.103 1
1 581 . 3 1 1 A 54 54 VAL N N 54 119.961 118.233 1.728 1
1 582 . 3 1 1 A 55 55 SER H H 55 8.180 8.750 -0.570 1
1 583 . 3 1 1 A 55 55 SER HA H 55 5.461 5.157 0.304 1
1 586 . 3 1 1 A 55 55 SER C C 55 174.870 173.860 1.010 1
1 587 . 3 1 1 A 55 55 SER CA C 55 56.065 57.783 -1.718 1
1 588 . 3 1 1 A 55 55 SER CB C 55 64.094 64.639 -0.545 1
1 589 . 3 1 1 A 55 55 SER N N 55 117.963 118.695 -0.732 1
1 590 . 3 1 1 A 56 56 VAL H H 56 9.201 8.727 0.474 1
1 591 . 3 1 1 A 56 56 VAL HA H 56 4.780 4.666 0.114 1
1 599 . 3 1 1 A 56 56 VAL C C 56 173.446 173.901 -0.455 1
1 600 . 3 1 1 A 56 56 VAL CA C 56 58.760 59.008 -0.248 1
1 601 . 3 1 1 A 56 56 VAL CB C 56 35.954 36.034 -0.080 1
1 604 . 3 1 1 A 56 56 VAL N N 56 127.863 125.773 2.090 1
1 605 . 3 1 1 A 57 57 PRO HA H 57 4.582 4.649 -0.067 1
1 612 . 3 1 1 A 57 57 PRO C C 57 176.776 178.545 -1.769 1
1 613 . 3 1 1 A 57 57 PRO CA C 57 64.226 63.579 0.647 1
1 614 . 3 1 1 A 57 57 PRO CB C 57 33.063 31.733 1.330 1
1 617 . 3 1 1 A 58 58 GLY H H 58 7.663 8.869 -1.206 1
1 618 . 3 1 1 A 58 58 GLY HA2 H 58 3.684 3.732 -0.048 1
1 619 . 3 1 1 A 58 58 GLY HA3 H 58 3.620 3.874 -0.254 1
1 620 . 3 1 1 A 58 58 GLY C C 58 173.755 175.775 -2.020 1
1 621 . 3 1 1 A 58 58 GLY CA C 58 46.877 47.246 -0.369 1
1 622 . 3 1 1 A 58 58 GLY N N 58 106.964 113.055 -6.091 1
1 623 . 3 1 1 A 59 59 ALA H H 59 7.900 8.085 -0.185 1
1 624 . 3 1 1 A 59 59 ALA HA H 59 4.516 4.069 0.447 1
1 628 . 3 1 1 A 59 59 ALA C C 59 178.104 177.681 0.423 1
1 629 . 3 1 1 A 59 59 ALA CA C 59 52.713 54.968 -2.255 1
1 630 . 3 1 1 A 59 59 ALA CB C 59 19.380 18.632 0.748 1
1 631 . 3 1 1 A 59 59 ALA N N 59 119.932 124.269 -4.337 1
1 632 . 3 1 1 A 60 60 ARG H H 60 8.306 8.036 0.270 1
1 633 . 3 1 1 A 60 60 ARG HA H 60 4.559 4.784 -0.225 1
1 640 . 3 1 1 A 60 60 ARG C C 60 174.842 175.832 -0.990 1
1 641 . 3 1 1 A 60 60 ARG CA C 60 55.357 55.009 0.348 1
1 642 . 3 1 1 A 60 60 ARG CB C 60 32.823 32.189 0.634 1
1 645 . 3 1 1 A 60 60 ARG N N 60 118.739 115.821 2.918 1
1 646 . 3 1 1 A 61 61 SER H H 61 8.229 8.558 -0.329 1
1 647 . 3 1 1 A 61 61 SER HA H 61 3.709 4.506 -0.797 1
1 650 . 3 1 1 A 61 61 SER C C 61 170.973 172.539 -1.566 1
1 651 . 3 1 1 A 61 61 SER CA C 61 56.045 56.852 -0.807 1
1 652 . 3 1 1 A 61 61 SER CB C 61 63.329 63.573 -0.244 1
1 653 . 3 1 1 A 61 61 SER N N 61 110.956 112.332 -1.376 1
1 654 . 3 1 1 A 62 62 HIS H H 62 6.458 7.134 -0.676 1
1 655 . 3 1 1 A 62 62 HIS HA H 62 4.626 4.540 0.086 1
1 660 . 3 1 1 A 62 62 HIS C C 62 173.581 173.006 0.575 1
1 661 . 3 1 1 A 62 62 HIS CA C 62 54.494 53.697 0.797 1
1 662 . 3 1 1 A 62 62 HIS CB C 62 32.485 32.975 -0.490 1
1 665 . 3 1 1 A 62 62 HIS N N 62 113.571 116.030 -2.459 1
1 666 . 3 1 1 A 63 63 VAL H H 63 8.794 8.490 0.304 1
1 667 . 3 1 1 A 63 63 VAL HA H 63 4.325 4.442 -0.117 1
1 675 . 3 1 1 A 63 63 VAL C C 63 171.906 173.443 -1.537 1
1 676 . 3 1 1 A 63 63 VAL CA C 63 61.052 60.254 0.798 1
1 677 . 3 1 1 A 63 63 VAL CB C 63 34.800 35.096 -0.296 1
1 680 . 3 1 1 A 63 63 VAL N N 63 118.122 119.350 -1.228 1
1 681 . 3 1 1 A 64 64 THR H H 64 8.316 8.715 -0.399 1
1 682 . 3 1 1 A 64 64 THR HA H 64 4.970 5.074 -0.104 1
1 687 . 3 1 1 A 64 64 THR C C 64 173.412 173.295 0.117 1
1 688 . 3 1 1 A 64 64 THR CA C 64 61.775 61.498 0.277 1
1 689 . 3 1 1 A 64 64 THR CB C 64 69.851 71.384 -1.533 1
1 691 . 3 1 1 A 64 64 THR N N 64 122.871 117.625 5.246 1
1 692 . 3 1 1 A 65 65 LEU H H 65 9.348 8.380 0.968 1
1 693 . 3 1 1 A 65 65 LEU HA H 65 4.584 4.709 -0.125 1
1 703 . 3 1 1 A 65 65 LEU C C 65 173.397 174.917 -1.520 1
1 704 . 3 1 1 A 65 65 LEU CA C 65 50.297 51.119 -0.822 1
1 705 . 3 1 1 A 65 65 LEU CB C 65 41.547 42.012 -0.465 1
1 709 . 3 1 1 A 65 65 LEU N N 65 129.778 127.726 2.052 1
1 710 . 3 1 1 A 66 66 PRO HA H 66 4.868 4.459 0.409 1
1 717 . 3 1 1 A 66 66 PRO C C 66 175.188 176.752 -1.564 1
1 718 . 3 1 1 A 66 66 PRO CA C 66 61.370 62.749 -1.379 1
1 719 . 3 1 1 A 66 66 PRO CB C 66 33.700 32.674 1.026 1
1 722 . 3 1 1 A 67 67 ASP H H 67 8.729 8.937 -0.208 1
1 723 . 3 1 1 A 67 67 ASP HA H 67 4.333 4.198 0.135 1
1 726 . 3 1 1 A 67 67 ASP C C 67 175.824 174.785 1.039 1
1 727 . 3 1 1 A 67 67 ASP CA C 67 55.181 55.002 0.179 1
1 728 . 3 1 1 A 67 67 ASP CB C 67 39.225 39.497 -0.272 1
1 729 . 3 1 1 A 67 67 ASP N N 67 113.984 121.422 -7.438 1
1 730 . 3 1 1 A 68 68 LEU H H 68 8.599 7.831 0.768 1
1 731 . 3 1 1 A 68 68 LEU HA H 68 4.414 4.778 -0.364 1
1 741 . 3 1 1 A 68 68 LEU C C 68 176.487 175.836 0.651 1
1 742 . 3 1 1 A 68 68 LEU CA C 68 53.259 52.952 0.307 1
1 743 . 3 1 1 A 68 68 LEU CB C 68 41.630 44.157 -2.527 1
1 747 . 3 1 1 A 68 68 LEU N N 68 118.102 118.794 -0.692 1
1 748 . 3 1 1 A 69 69 GLN H H 69 8.114 8.556 -0.442 1
1 749 . 3 1 1 A 69 69 GLN HA H 69 4.349 4.908 -0.559 1
1 756 . 3 1 1 A 69 69 GLN C C 69 175.669 174.329 1.340 1
1 757 . 3 1 1 A 69 69 GLN CA C 69 54.722 54.260 0.462 1
1 758 . 3 1 1 A 69 69 GLN CB C 69 30.803 31.814 -1.011 1
1 760 . 3 1 1 A 69 69 GLN N N 69 118.191 118.353 -0.162 1
1 762 . 3 1 1 A 70 70 ALA H H 70 8.240 8.699 -0.459 1
1 763 . 3 1 1 A 70 70 ALA HA H 70 4.835 5.160 -0.325 1
1 767 . 3 1 1 A 70 70 ALA C C 70 178.720 177.279 1.441 1
1 768 . 3 1 1 A 70 70 ALA CA C 70 52.501 50.290 2.211 1
1 769 . 3 1 1 A 70 70 ALA CB C 70 20.257 21.437 -1.180 1
1 770 . 3 1 1 A 70 70 ALA N N 70 124.989 121.678 3.311 1
1 771 . 3 1 1 A 71 71 ALA H H 71 8.003 8.561 -0.558 1
1 772 . 3 1 1 A 71 71 ALA HA H 71 3.974 3.915 0.059 1
1 776 . 3 1 1 A 71 71 ALA C C 71 176.118 175.868 0.250 1
1 777 . 3 1 1 A 71 71 ALA CA C 71 52.491 53.207 -0.716 1
1 778 . 3 1 1 A 71 71 ALA CB C 71 18.439 17.786 0.653 1
1 779 . 3 1 1 A 71 71 ALA N N 71 128.133 122.634 5.499 1
1 780 . 3 1 1 A 72 72 THR H H 72 8.391 8.042 0.349 1
1 781 . 3 1 1 A 72 72 THR HA H 72 4.563 4.711 -0.148 1
1 786 . 3 1 1 A 72 72 THR C C 72 172.643 174.094 -1.451 1
1 787 . 3 1 1 A 72 72 THR CA C 72 62.856 61.817 1.039 1
1 788 . 3 1 1 A 72 72 THR CB C 72 71.924 71.391 0.533 1
1 790 . 3 1 1 A 72 72 THR N N 72 114.280 111.219 3.061 1
1 791 . 3 1 1 A 73 73 LYS H H 73 8.691 8.360 0.331 1
1 792 . 3 1 1 A 73 73 LYS HA H 73 4.846 4.676 0.170 1
1 801 . 3 1 1 A 73 73 LYS C C 73 176.405 175.576 0.829 1
1 802 . 3 1 1 A 73 73 LYS CA C 73 55.992 55.836 0.156 1
1 803 . 3 1 1 A 73 73 LYS CB C 73 33.535 32.962 0.573 1
1 807 . 3 1 1 A 73 73 LYS N N 73 125.989 126.277 -0.288 1
1 808 . 3 1 1 A 74 74 TYR H H 74 9.569 8.667 0.902 1
1 809 . 3 1 1 A 74 74 TYR HA H 74 4.758 5.438 -0.680 1
1 816 . 3 1 1 A 74 74 TYR C C 74 173.567 174.723 -1.156 1
1 817 . 3 1 1 A 74 74 TYR CA C 74 58.778 56.560 2.218 1
1 818 . 3 1 1 A 74 74 TYR CB C 74 42.667 41.830 0.837 1
1 823 . 3 1 1 A 74 74 TYR N N 74 126.436 117.617 8.819 1
1 824 . 3 1 1 A 75 75 ARG H H 75 9.005 8.571 0.434 1
1 825 . 3 1 1 A 75 75 ARG HA H 75 5.053 4.571 0.482 1
1 832 . 3 1 1 A 75 75 ARG C C 75 175.042 174.969 0.073 1
1 833 . 3 1 1 A 75 75 ARG CA C 75 55.027 56.341 -1.314 1
1 834 . 3 1 1 A 75 75 ARG CB C 75 32.284 30.668 1.616 1
1 837 . 3 1 1 A 75 75 ARG N N 75 121.560 125.438 -3.878 1
1 838 . 3 1 1 A 76 76 VAL H H 76 9.127 8.977 0.150 1
1 839 . 3 1 1 A 76 76 VAL HA H 76 4.977 4.546 0.431 1
1 847 . 3 1 1 A 76 76 VAL C C 76 173.144 175.473 -2.329 1
1 848 . 3 1 1 A 76 76 VAL CA C 76 60.876 62.320 -1.444 1
1 849 . 3 1 1 A 76 76 VAL CB C 76 34.922 31.770 3.152 1
1 852 . 3 1 1 A 76 76 VAL N N 76 127.571 127.275 0.296 1
1 853 . 3 1 1 A 77 77 LEU H H 77 9.083 9.521 -0.438 1
1 854 . 3 1 1 A 77 77 LEU HA H 77 5.350 5.553 -0.203 1
1 864 . 3 1 1 A 77 77 LEU C C 77 176.622 175.992 0.630 1
1 865 . 3 1 1 A 77 77 LEU CA C 77 53.911 53.211 0.700 1
1 866 . 3 1 1 A 77 77 LEU CB C 77 44.959 42.865 2.094 1
1 870 . 3 1 1 A 77 77 LEU N N 77 127.310 129.080 -1.770 1
1 871 . 3 1 1 A 78 78 VAL H H 78 8.918 8.645 0.273 1
1 872 . 3 1 1 A 78 78 VAL HA H 78 4.890 4.753 0.137 1
1 880 . 3 1 1 A 78 78 VAL C C 78 174.235 174.953 -0.718 1
1 881 . 3 1 1 A 78 78 VAL CA C 78 61.193 60.752 0.441 1
1 882 . 3 1 1 A 78 78 VAL CB C 78 34.718 33.828 0.890 1
1 885 . 3 1 1 A 78 78 VAL N N 78 119.228 126.277 -7.049 1
1 886 . 3 1 1 A 79 79 SER H H 79 8.598 8.616 -0.018 1
1 887 . 3 1 1 A 79 79 SER HA H 79 4.725 5.062 -0.337 1
1 890 . 3 1 1 A 79 79 SER C C 79 172.877 173.134 -0.257 1
1 891 . 3 1 1 A 79 79 SER CA C 79 56.680 57.713 -1.033 1
1 892 . 3 1 1 A 79 79 SER CB C 79 65.806 65.920 -0.114 1
1 893 . 3 1 1 A 79 79 SER N N 79 119.664 124.123 -4.459 1
1 894 . 3 1 1 A 80 80 ALA H H 80 8.939 8.620 0.319 1
1 895 . 3 1 1 A 80 80 ALA HA H 80 4.325 4.616 -0.291 1
1 899 . 3 1 1 A 80 80 ALA C C 80 174.050 177.167 -3.117 1
1 900 . 3 1 1 A 80 80 ALA CA C 80 51.126 51.784 -0.658 1
1 901 . 3 1 1 A 80 80 ALA CB C 80 21.990 19.466 2.524 1
1 902 . 3 1 1 A 80 80 ALA N N 80 126.283 128.462 -2.179 1
1 903 . 3 1 1 A 81 81 ILE H H 81 8.424 8.096 0.328 1
1 904 . 3 1 1 A 81 81 ILE HA H 81 4.116 4.649 -0.533 1
1 914 . 3 1 1 A 81 81 ILE C C 81 173.862 173.858 0.004 1
1 915 . 3 1 1 A 81 81 ILE CA C 81 61.175 60.003 1.172 1
1 916 . 3 1 1 A 81 81 ILE CB C 81 36.015 38.867 -2.852 1
1 920 . 3 1 1 A 81 81 ILE N N 81 123.033 122.316 0.717 1
1 921 . 3 1 1 A 82 82 TYR H H 82 8.377 8.564 -0.187 1
1 922 . 3 1 1 A 82 82 TYR HA H 82 4.681 4.923 -0.242 1
1 929 . 3 1 1 A 82 82 TYR C C 82 176.146 175.987 0.159 1
1 930 . 3 1 1 A 82 82 TYR CA C 82 56.309 56.588 -0.279 1
1 931 . 3 1 1 A 82 82 TYR CB C 82 40.734 42.882 -2.148 1
1 936 . 3 1 1 A 82 82 TYR N N 82 125.168 124.472 0.696 1
1 937 . 3 1 1 A 83 83 ALA H H 83 9.437 9.061 0.376 1
1 938 . 3 1 1 A 83 83 ALA HA H 83 4.059 4.076 -0.017 1
1 942 . 3 1 1 A 83 83 ALA C C 83 179.312 179.871 -0.559 1
1 943 . 3 1 1 A 83 83 ALA CA C 83 55.729 55.632 0.097 1
1 944 . 3 1 1 A 83 83 ALA CB C 83 17.613 18.337 -0.724 1
1 945 . 3 1 1 A 83 83 ALA N N 83 125.234 125.248 -0.014 1
1 946 . 3 1 1 A 84 84 ALA H H 84 7.823 7.894 -0.071 1
1 947 . 3 1 1 A 84 84 ALA HA H 84 4.434 4.132 0.302 1
1 951 . 3 1 1 A 84 84 ALA C C 84 176.808 177.650 -0.842 1
1 952 . 3 1 1 A 84 84 ALA CA C 84 51.936 54.806 -2.870 1
1 953 . 3 1 1 A 84 84 ALA CB C 84 19.514 19.787 -0.273 1
1 954 . 3 1 1 A 84 84 ALA N N 84 114.587 119.954 -5.367 1
1 955 . 3 1 1 A 85 85 GLY H H 85 7.366 7.402 -0.036 1
1 956 . 3 1 1 A 85 85 GLY HA2 H 85 4.362 4.009 0.353 1
1 957 . 3 1 1 A 85 85 GLY HA3 H 85 3.835 4.016 -0.181 1
1 958 . 3 1 1 A 85 85 GLY C C 85 171.544 172.173 -0.629 1
1 959 . 3 1 1 A 85 85 GLY CA C 85 44.576 45.790 -1.214 1
1 960 . 3 1 1 A 85 85 GLY N N 85 105.342 102.050 3.292 1
1 961 . 3 1 1 A 86 86 ARG H H 86 8.626 8.455 0.171 1
1 962 . 3 1 1 A 86 86 ARG HA H 86 5.263 4.737 0.526 1
1 969 . 3 1 1 A 86 86 ARG C C 86 176.925 176.123 0.802 1
1 970 . 3 1 1 A 86 86 ARG CA C 86 54.863 55.866 -1.003 1
1 971 . 3 1 1 A 86 86 ARG CB C 86 33.491 31.111 2.380 1
1 974 . 3 1 1 A 86 86 ARG N N 86 118.147 118.143 0.004 1
1 975 . 3 1 1 A 87 87 SER H H 87 9.496 8.997 0.499 1
1 976 . 3 1 1 A 87 87 SER HA H 87 4.747 4.642 0.105 1
1 979 . 3 1 1 A 87 87 SER C C 87 174.538 174.557 -0.019 1
1 980 . 3 1 1 A 87 87 SER CA C 87 58.284 57.726 0.558 1
1 981 . 3 1 1 A 87 87 SER CB C 87 67.271 65.584 1.687 1
1 982 . 3 1 1 A 87 87 SER N N 87 119.835 114.676 5.159 1
1 983 . 3 1 1 A 88 88 GLU H H 88 9.058 8.590 0.468 1
1 984 . 3 1 1 A 88 88 GLU HA H 88 4.342 4.213 0.129 1
1 989 . 3 1 1 A 88 88 GLU C C 88 176.157 175.865 0.292 1
1 990 . 3 1 1 A 88 88 GLU CA C 88 56.874 56.273 0.601 1
1 991 . 3 1 1 A 88 88 GLU CB C 88 30.350 30.237 0.113 1
1 993 . 3 1 1 A 88 88 GLU N N 88 119.700 120.107 -0.407 1
1 994 . 3 1 1 A 89 89 ALA H H 89 8.674 8.552 0.122 1
1 995 . 3 1 1 A 89 89 ALA HA H 89 4.918 5.561 -0.643 1
1 999 . 3 1 1 A 89 89 ALA C C 89 178.887 176.214 2.673 1
1 1000 . 3 1 1 A 89 89 ALA CA C 89 51.340 50.153 1.187 1
1 1001 . 3 1 1 A 89 89 ALA CB C 89 20.130 21.544 -1.414 1
1 1002 . 3 1 1 A 89 89 ALA N N 89 125.485 122.853 2.632 1
1 1003 . 3 1 1 A 90 90 VAL H H 90 8.621 8.664 -0.043 1
1 1004 . 3 1 1 A 90 90 VAL HA H 90 4.562 4.906 -0.344 1
1 1012 . 3 1 1 A 90 90 VAL C C 90 174.251 175.488 -1.237 1
1 1013 . 3 1 1 A 90 90 VAL CA C 90 60.365 60.504 -0.139 1
1 1014 . 3 1 1 A 90 90 VAL CB C 90 33.770 33.572 0.198 1
1 1017 . 3 1 1 A 90 90 VAL N N 90 119.440 118.870 0.570 1
1 1018 . 3 1 1 A 91 91 SER H H 91 8.373 8.860 -0.487 1
1 1019 . 3 1 1 A 91 91 SER HA H 91 5.877 5.015 0.862 1
1 1022 . 3 1 1 A 91 91 SER C C 91 174.245 173.733 0.512 1
1 1023 . 3 1 1 A 91 91 SER CA C 91 56.109 56.957 -0.848 1
1 1024 . 3 1 1 A 91 91 SER CB C 91 67.620 64.875 2.745 1
1 1025 . 3 1 1 A 91 91 SER N N 91 116.084 121.669 -5.585 1
1 1026 . 3 1 1 A 92 92 ALA H H 92 8.900 8.774 0.126 1
1 1027 . 3 1 1 A 92 92 ALA HA H 92 4.681 4.963 -0.282 1
1 1031 . 3 1 1 A 92 92 ALA C C 92 175.187 176.299 -1.112 1
1 1032 . 3 1 1 A 92 92 ALA CA C 92 51.990 51.921 0.069 1
1 1033 . 3 1 1 A 92 92 ALA CB C 92 23.056 21.620 1.436 1
1 1034 . 3 1 1 A 92 92 ALA N N 92 123.885 122.303 1.582 1
1 1035 . 3 1 1 A 93 93 THR H H 93 8.466 8.703 -0.237 1
1 1036 . 3 1 1 A 93 93 THR HA H 93 5.623 5.044 0.579 1
1 1041 . 3 1 1 A 93 93 THR C C 93 174.366 174.244 0.122 1
1 1042 . 3 1 1 A 93 93 THR CA C 93 60.154 60.798 -0.644 1
1 1043 . 3 1 1 A 93 93 THR CB C 93 71.657 70.126 1.531 1
1 1045 . 3 1 1 A 93 93 THR N N 93 112.591 115.812 -3.221 1
1 1046 . 3 1 1 A 94 94 GLY H H 94 8.657 8.929 -0.272 1
1 1047 . 3 1 1 A 94 94 GLY HA2 H 94 4.483 4.262 0.221 1
1 1048 . 3 1 1 A 94 94 GLY HA3 H 94 3.625 4.276 -0.651 1
1 1049 . 3 1 1 A 94 94 GLY C C 94 170.518 173.295 -2.777 1
1 1050 . 3 1 1 A 94 94 GLY CA C 94 44.849 44.915 -0.066 1
1 1051 . 3 1 1 A 94 94 GLY N N 94 111.375 111.316 0.059 1
1 1052 . 3 1 1 A 95 95 GLN H H 95 8.667 8.692 -0.025 1
1 1053 . 3 1 1 A 95 95 GLN HA H 95 5.491 4.319 1.172 1
1 1060 . 3 1 1 A 95 95 GLN C C 95 176.226 175.196 1.030 1
1 1061 . 3 1 1 A 95 95 GLN CA C 95 54.000 56.520 -2.520 1
1 1062 . 3 1 1 A 95 95 GLN CB C 95 32.822 29.357 3.465 1
1 1064 . 3 1 1 A 95 95 GLN N N 95 120.893 125.550 -4.657 1
1 1066 . 3 1 1 A 96 96 THR H H 96 8.609 8.558 0.051 1
1 1067 . 3 1 1 A 96 96 THR HA H 96 4.384 4.548 -0.164 1
1 1072 . 3 1 1 A 96 96 THR C C 96 175.194 174.361 0.833 1
1 1073 . 3 1 1 A 96 96 THR CA C 96 60.783 61.616 -0.833 1
1 1074 . 3 1 1 A 96 96 THR CB C 96 70.198 71.359 -1.161 1
1 1076 . 3 1 1 A 96 96 THR N N 96 115.777 116.979 -1.202 1
1 1077 . 3 1 1 A 97 97 ALA H H 97 8.009 8.204 -0.195 1
1 1078 . 3 1 1 A 97 97 ALA HA H 97 4.186 4.444 -0.258 1
1 1082 . 3 1 1 A 97 97 ALA C C 97 176.174 176.975 -0.801 1
1 1083 . 3 1 1 A 97 97 ALA CA C 97 52.077 51.694 0.383 1
1 1084 . 3 1 1 A 97 97 ALA CB C 97 19.001 19.426 -0.425 1
1 1085 . 3 1 1 A 97 97 ALA N N 97 120.015 123.155 -3.140 1
1 1086 . 3 1 1 A 98 98 CYS H H 98 8.239 8.709 -0.470 1
1 1087 . 3 1 1 A 98 98 CYS HA H 98 4.705 4.691 0.014 1
1 1090 . 3 1 1 A 98 98 CYS C C 98 173.203 175.188 -1.985 1
1 1091 . 3 1 1 A 98 98 CYS CA C 98 56.644 57.802 -1.158 1
1 1092 . 3 1 1 A 98 98 CYS CB C 98 27.357 26.805 0.552 1
1 1093 . 3 1 1 A 98 98 CYS N N 98 116.874 121.672 -4.798 1
1 1094 . 3 1 1 A 99 99 PRO HA H 99 4.421 4.523 -0.102 1
1 1101 . 3 1 1 A 99 99 PRO CA C 99 63.337 64.105 -0.768 1
1 1102 . 3 1 1 A 99 99 PRO CB C 99 32.132 31.563 0.569 1
1 1105 . 3 1 1 A 100 100 SER H H 100 8.463 7.910 0.553 1
1 1106 . 3 1 1 A 100 100 SER HA H 100 4.470 4.708 -0.238 1
1 1109 . 3 1 1 A 100 100 SER CA C 100 58.453 56.492 1.961 1
1 1110 . 3 1 1 A 100 100 SER CB C 100 64.023 63.410 0.613 1
1 1111 . 3 1 1 A 100 100 SER N N 100 116.426 112.197 4.229 1
1 1112 . 3 1 1 A 101 101 GLY H H 101 8.237 8.476 -0.239 1
1 1113 . 3 1 1 A 101 101 GLY HA2 H 101 4.165 3.996 0.169 1
1 1114 . 3 1 1 A 101 101 GLY HA3 H 101 4.100 3.997 0.103 1
1 1115 . 3 1 1 A 101 101 GLY CA C 101 44.647 45.270 -0.623 1
1 1116 . 3 1 1 A 101 101 GLY N N 101 110.731 113.893 -3.162 1
1 1117 . 3 1 1 A 102 102 PRO HA H 102 4.484 4.703 -0.219 1
1 1123 . 3 1 1 A 102 102 PRO CA C 102 63.069 62.675 0.394 1
1 1124 . 3 1 1 A 102 102 PRO CB C 102 32.189 31.470 0.719 1
1 1127 . 3 1 1 A 103 103 SER H H 103 8.540 8.822 -0.282 1
1 1 . 4 1 1 A 5 5 SER N N 5 119.122 121.693 -2.571 1
1 2 . 4 1 1 A 6 6 SER N N 6 123.945 117.106 6.839 1
1 3 . 4 1 1 A 7 7 GLY HA2 H 7 3.813 3.938 -0.125 1
1 4 . 4 1 1 A 7 7 GLY HA3 H 7 3.813 3.970 -0.157 1
1 5 . 4 1 1 A 7 7 GLY CA C 7 45.375 45.631 -0.256 1
1 6 . 4 1 1 A 8 8 ARG H H 8 7.999 7.784 0.215 1
1 7 . 4 1 1 A 8 8 ARG HA H 8 3.712 3.608 0.104 1
1 14 . 4 1 1 A 8 8 ARG CA C 8 54.185 56.633 -2.448 1
1 15 . 4 1 1 A 8 8 ARG CB C 8 29.555 30.783 -1.228 1
1 18 . 4 1 1 A 8 8 ARG N N 8 121.209 121.456 -0.247 1
1 19 . 4 1 1 A 9 9 SER H H 9 7.810 8.138 -0.328 1
1 20 . 4 1 1 A 9 9 SER HA H 9 4.725 5.051 -0.326 1
1 23 . 4 1 1 A 9 9 SER CA C 9 58.455 54.620 3.835 1
1 24 . 4 1 1 A 9 9 SER CB C 9 62.966 64.931 -1.965 1
1 25 . 4 1 1 A 9 9 SER N N 9 118.072 119.547 -1.475 1
1 26 . 4 1 1 A 10 10 PRO HA H 10 5.182 4.884 0.298 1
1 33 . 4 1 1 A 10 10 PRO CA C 10 61.759 61.325 0.434 1
1 34 . 4 1 1 A 10 10 PRO CB C 10 30.280 31.621 -1.341 1
1 37 . 4 1 1 A 11 11 PRO HA H 11 4.567 4.714 -0.147 1
1 44 . 4 1 1 A 11 11 PRO C C 11 173.556 176.032 -2.476 1
1 45 . 4 1 1 A 11 11 PRO CA C 11 62.674 62.688 -0.014 1
1 46 . 4 1 1 A 11 11 PRO CB C 11 33.026 31.612 1.414 1
1 49 . 4 1 1 A 12 12 SER H H 12 8.427 8.697 -0.270 1
1 50 . 4 1 1 A 12 12 SER HA H 12 4.890 4.967 -0.077 1
1 53 . 4 1 1 A 12 12 SER C C 12 173.115 173.792 -0.677 1
1 54 . 4 1 1 A 12 12 SER CA C 12 56.556 57.187 -0.631 1
1 55 . 4 1 1 A 12 12 SER CB C 12 66.882 66.340 0.542 1
1 56 . 4 1 1 A 12 12 SER N N 12 111.345 118.451 -7.106 1
1 57 . 4 1 1 A 13 13 ASN H H 13 8.973 8.808 0.165 1
1 58 . 4 1 1 A 13 13 ASN HA H 13 4.318 4.268 0.050 1
1 63 . 4 1 1 A 13 13 ASN C C 13 173.850 174.718 -0.868 1
1 64 . 4 1 1 A 13 13 ASN CA C 13 53.928 54.200 -0.272 1
1 65 . 4 1 1 A 13 13 ASN CB C 13 37.365 36.904 0.461 1
1 66 . 4 1 1 A 13 13 ASN N N 13 115.970 116.856 -0.886 1
1 68 . 4 1 1 A 14 14 LEU H H 14 8.223 8.140 0.083 1
1 69 . 4 1 1 A 14 14 LEU HA H 14 4.857 4.529 0.328 1
1 79 . 4 1 1 A 14 14 LEU C C 14 176.725 176.873 -0.148 1
1 80 . 4 1 1 A 14 14 LEU CA C 14 56.115 56.076 0.039 1
1 81 . 4 1 1 A 14 14 LEU CB C 14 42.621 41.857 0.764 1
1 85 . 4 1 1 A 14 14 LEU N N 14 119.681 119.774 -0.093 1
1 86 . 4 1 1 A 15 15 ALA H H 15 9.364 8.714 0.650 1
1 87 . 4 1 1 A 15 15 ALA HA H 15 4.736 5.082 -0.346 1
1 91 . 4 1 1 A 15 15 ALA C C 15 175.056 175.430 -0.374 1
1 92 . 4 1 1 A 15 15 ALA CA C 15 51.496 50.455 1.041 1
1 93 . 4 1 1 A 15 15 ALA CB C 15 22.285 20.381 1.904 1
1 94 . 4 1 1 A 15 15 ALA N N 15 130.359 127.917 2.442 1
1 95 . 4 1 1 A 16 16 LEU H H 16 8.448 9.044 -0.596 1
1 96 . 4 1 1 A 16 16 LEU HA H 16 5.385 4.884 0.501 1
1 106 . 4 1 1 A 16 16 LEU C C 16 175.868 175.651 0.217 1
1 107 . 4 1 1 A 16 16 LEU CA C 16 53.224 54.125 -0.901 1
1 108 . 4 1 1 A 16 16 LEU CB C 16 45.061 41.533 3.528 1
1 112 . 4 1 1 A 16 16 LEU N N 16 120.470 124.274 -3.804 1
1 113 . 4 1 1 A 17 17 ALA H H 17 8.737 9.371 -0.634 1
1 114 . 4 1 1 A 17 17 ALA HA H 17 4.620 5.332 -0.712 1
1 118 . 4 1 1 A 17 17 ALA C C 17 175.371 175.152 0.219 1
1 119 . 4 1 1 A 17 17 ALA CA C 17 51.249 50.163 1.086 1
1 120 . 4 1 1 A 17 17 ALA CB C 17 22.570 21.406 1.164 1
1 121 . 4 1 1 A 17 17 ALA N N 17 124.938 128.769 -3.831 1
1 122 . 4 1 1 A 18 18 SER H H 18 8.675 8.717 -0.042 1
1 123 . 4 1 1 A 18 18 SER HA H 18 5.021 4.733 0.288 1
1 126 . 4 1 1 A 18 18 SER C C 18 174.678 175.257 -0.579 1
1 127 . 4 1 1 A 18 18 SER CA C 18 57.244 56.499 0.745 1
1 128 . 4 1 1 A 18 18 SER CB C 18 64.200 64.285 -0.085 1
1 129 . 4 1 1 A 18 18 SER N N 18 113.933 118.405 -4.472 1
1 130 . 4 1 1 A 19 19 GLU H H 19 9.743 8.839 0.904 1
1 131 . 4 1 1 A 19 19 GLU HA H 19 4.466 4.590 -0.124 1
1 136 . 4 1 1 A 19 19 GLU C C 19 176.368 176.150 0.218 1
1 137 . 4 1 1 A 19 19 GLU CA C 19 56.295 56.584 -0.289 1
1 138 . 4 1 1 A 19 19 GLU CB C 19 31.532 31.219 0.313 1
1 140 . 4 1 1 A 19 19 GLU N N 19 127.234 124.417 2.817 1
1 141 . 4 1 1 A 20 20 THR H H 20 7.759 7.700 0.059 1
1 142 . 4 1 1 A 20 20 THR HA H 20 4.935 4.715 0.220 1
1 147 . 4 1 1 A 20 20 THR C C 20 171.770 173.796 -2.026 1
1 148 . 4 1 1 A 20 20 THR CA C 20 58.337 58.263 0.074 1
1 149 . 4 1 1 A 20 20 THR CB C 20 69.869 71.750 -1.881 1
1 151 . 4 1 1 A 20 20 THR N N 20 109.600 113.584 -3.984 1
1 152 . 4 1 1 A 21 21 PRO HA H 21 4.587 4.519 0.068 1
1 159 . 4 1 1 A 21 21 PRO C C 21 173.647 176.271 -2.624 1
1 160 . 4 1 1 A 21 21 PRO CA C 21 64.332 64.113 0.219 1
1 161 . 4 1 1 A 21 21 PRO CB C 21 32.380 31.477 0.903 1
1 164 . 4 1 1 A 22 22 ASP H H 22 7.420 8.199 -0.779 1
1 165 . 4 1 1 A 22 22 ASP HA H 22 4.648 5.015 -0.367 1
1 168 . 4 1 1 A 22 22 ASP C C 22 175.838 175.450 0.388 1
1 169 . 4 1 1 A 22 22 ASP CA C 22 51.037 54.113 -3.076 1
1 170 . 4 1 1 A 22 22 ASP CB C 22 42.177 42.436 -0.259 1
1 171 . 4 1 1 A 22 22 ASP N N 22 107.201 117.572 -10.371 1
1 172 . 4 1 1 A 23 23 SER H H 23 7.729 7.569 0.160 1
1 173 . 4 1 1 A 23 23 SER HA H 23 5.474 5.081 0.393 1
1 176 . 4 1 1 A 23 23 SER C C 23 171.887 172.193 -0.306 1
1 177 . 4 1 1 A 23 23 SER CA C 23 57.481 57.529 -0.048 1
1 178 . 4 1 1 A 23 23 SER CB C 23 68.168 66.984 1.184 1
1 179 . 4 1 1 A 23 23 SER N N 23 112.046 113.776 -1.730 1
1 180 . 4 1 1 A 24 24 LEU H H 24 7.884 8.243 -0.359 1
1 181 . 4 1 1 A 24 24 LEU HA H 24 4.769 4.784 -0.015 1
1 191 . 4 1 1 A 24 24 LEU C C 24 174.542 174.378 0.164 1
1 192 . 4 1 1 A 24 24 LEU CA C 24 53.576 54.151 -0.575 1
1 193 . 4 1 1 A 24 24 LEU CB C 24 47.616 45.526 2.090 1
1 197 . 4 1 1 A 24 24 LEU N N 24 119.324 123.650 -4.326 1
1 198 . 4 1 1 A 25 25 GLN H H 25 9.356 8.997 0.359 1
1 199 . 4 1 1 A 25 25 GLN HA H 25 4.747 4.674 0.073 1
1 206 . 4 1 1 A 25 25 GLN C C 25 174.824 175.000 -0.176 1
1 207 . 4 1 1 A 25 25 GLN CA C 25 55.533 55.599 -0.066 1
1 208 . 4 1 1 A 25 25 GLN CB C 25 29.759 29.964 -0.205 1
1 210 . 4 1 1 A 25 25 GLN N N 25 124.019 127.807 -3.788 1
1 212 . 4 1 1 A 26 26 VAL H H 26 9.020 8.126 0.894 1
1 213 . 4 1 1 A 26 26 VAL HA H 26 4.824 4.948 -0.124 1
1 221 . 4 1 1 A 26 26 VAL C C 26 174.556 173.849 0.707 1
1 222 . 4 1 1 A 26 26 VAL CA C 26 60.629 60.151 0.478 1
1 223 . 4 1 1 A 26 26 VAL CB C 26 33.355 35.137 -1.782 1
1 226 . 4 1 1 A 26 26 VAL N N 26 127.649 124.347 3.302 1
1 227 . 4 1 1 A 27 27 SER H H 27 9.056 8.707 0.349 1
1 228 . 4 1 1 A 27 27 SER HA H 27 4.857 5.035 -0.178 1
1 231 . 4 1 1 A 27 27 SER C C 27 172.328 173.419 -1.091 1
1 232 . 4 1 1 A 27 27 SER CA C 27 57.138 55.903 1.235 1
1 233 . 4 1 1 A 27 27 SER CB C 27 66.864 66.136 0.728 1
1 234 . 4 1 1 A 27 27 SER N N 27 119.826 122.526 -2.700 1
1 235 . 4 1 1 A 28 28 TRP H H 28 7.584 7.980 -0.396 1
1 236 . 4 1 1 A 28 28 TRP HA H 28 5.022 5.364 -0.342 1
1 245 . 4 1 1 A 28 28 TRP C C 28 174.055 173.006 1.049 1
1 246 . 4 1 1 A 28 28 TRP CA C 28 56.609 55.619 0.990 1
1 247 . 4 1 1 A 28 28 TRP CB C 28 29.814 31.299 -1.485 1
1 253 . 4 1 1 A 28 28 TRP N N 28 115.280 118.048 -2.768 1
1 255 . 4 1 1 A 29 29 THR H H 29 9.293 8.891 0.402 1
1 256 . 4 1 1 A 29 29 THR HA H 29 4.865 4.824 0.041 1
1 261 . 4 1 1 A 29 29 THR C C 29 173.203 173.633 -0.430 1
1 262 . 4 1 1 A 29 29 THR CA C 29 59.889 59.450 0.439 1
1 263 . 4 1 1 A 29 29 THR CB C 29 69.774 69.889 -0.115 1
1 265 . 4 1 1 A 29 29 THR N N 29 117.164 115.817 1.347 1
1 266 . 4 1 1 A 30 30 PRO HA H 30 4.809 4.809 0.000 1
1 273 . 4 1 1 A 30 30 PRO CA C 30 61.701 61.907 -0.206 1
1 274 . 4 1 1 A 30 30 PRO CB C 30 32.114 32.476 -0.362 1
1 277 . 4 1 1 A 31 31 PRO HA H 31 4.703 4.682 0.021 1
1 284 . 4 1 1 A 31 31 PRO C C 31 175.384 176.975 -1.591 1
1 285 . 4 1 1 A 31 31 PRO CA C 31 61.793 62.420 -0.627 1
1 286 . 4 1 1 A 31 31 PRO CB C 31 32.822 33.533 -0.711 1
1 289 . 4 1 1 A 32 32 LEU H H 32 8.312 8.810 -0.498 1
1 290 . 4 1 1 A 32 32 LEU HA H 32 4.333 4.328 0.005 1
1 300 . 4 1 1 A 32 32 LEU C C 32 177.793 178.451 -0.658 1
1 301 . 4 1 1 A 32 32 LEU CA C 32 55.851 57.354 -1.503 1
1 302 . 4 1 1 A 32 32 LEU CB C 32 41.968 42.393 -0.425 1
1 306 . 4 1 1 A 32 32 LEU N N 32 119.044 120.721 -1.677 1
1 307 . 4 1 1 A 33 33 GLY H H 33 8.147 7.938 0.209 1
1 308 . 4 1 1 A 33 33 GLY HA2 H 33 4.210 4.116 0.094 1
1 309 . 4 1 1 A 33 33 GLY HA3 H 33 4.051 4.160 -0.109 1
1 310 . 4 1 1 A 33 33 GLY C C 33 172.971 173.034 -0.063 1
1 311 . 4 1 1 A 33 33 GLY CA C 33 44.216 45.588 -1.372 1
1 312 . 4 1 1 A 33 33 GLY N N 33 107.917 107.244 0.673 1
1 313 . 4 1 1 A 34 34 ARG H H 34 8.671 8.568 0.103 1
1 314 . 4 1 1 A 34 34 ARG HA H 34 4.405 4.560 -0.155 1
1 321 . 4 1 1 A 34 34 ARG C C 34 174.517 175.360 -0.843 1
1 322 . 4 1 1 A 34 34 ARG CA C 34 55.339 56.461 -1.122 1
1 323 . 4 1 1 A 34 34 ARG CB C 34 29.137 30.517 -1.380 1
1 326 . 4 1 1 A 34 34 ARG N N 34 121.152 122.966 -1.814 1
1 327 . 4 1 1 A 35 35 VAL H H 35 7.825 8.699 -0.874 1
1 328 . 4 1 1 A 35 35 VAL HA H 35 3.060 4.086 -1.026 1
1 336 . 4 1 1 A 35 35 VAL C C 35 176.613 175.350 1.263 1
1 337 . 4 1 1 A 35 35 VAL CA C 35 62.505 61.694 0.811 1
1 338 . 4 1 1 A 35 35 VAL CB C 35 32.534 31.808 0.726 1
1 341 . 4 1 1 A 35 35 VAL N N 35 126.379 128.047 -1.668 1
1 342 . 4 1 1 A 36 36 LEU H H 36 8.874 8.235 0.639 1
1 343 . 4 1 1 A 36 36 LEU HA H 36 4.176 3.959 0.217 1
1 353 . 4 1 1 A 36 36 LEU C C 36 177.540 176.799 0.741 1
1 354 . 4 1 1 A 36 36 LEU CA C 36 57.050 58.162 -1.112 1
1 355 . 4 1 1 A 36 36 LEU CB C 36 41.723 42.127 -0.404 1
1 359 . 4 1 1 A 36 36 LEU N N 36 127.956 129.464 -1.508 1
1 360 . 4 1 1 A 37 37 HIS H H 37 7.231 7.427 -0.196 1
1 361 . 4 1 1 A 37 37 HIS HA H 37 4.615 5.083 -0.468 1
1 366 . 4 1 1 A 37 37 HIS C C 37 171.558 171.961 -0.403 1
1 367 . 4 1 1 A 37 37 HIS CA C 37 55.005 54.012 0.993 1
1 368 . 4 1 1 A 37 37 HIS CB C 37 32.039 33.562 -1.523 1
1 371 . 4 1 1 A 37 37 HIS N N 37 112.948 112.298 0.650 1
1 372 . 4 1 1 A 38 38 TYR H H 38 9.836 8.713 1.123 1
1 373 . 4 1 1 A 38 38 TYR HA H 38 5.165 4.882 0.283 1
1 378 . 4 1 1 A 38 38 TYR C C 38 174.934 174.978 -0.044 1
1 379 . 4 1 1 A 38 38 TYR CA C 38 56.698 56.790 -0.092 1
1 380 . 4 1 1 A 38 38 TYR CB C 38 40.251 38.894 1.357 1
1 385 . 4 1 1 A 38 38 TYR N N 38 116.581 118.067 -1.486 1
1 386 . 4 1 1 A 39 39 TRP H H 39 8.984 8.674 0.310 1
1 387 . 4 1 1 A 39 39 TRP HA H 39 5.307 4.864 0.443 1
1 396 . 4 1 1 A 39 39 TRP C C 39 173.996 175.285 -1.289 1
1 397 . 4 1 1 A 39 39 TRP CA C 39 55.798 57.205 -1.407 1
1 398 . 4 1 1 A 39 39 TRP CB C 39 31.998 29.426 2.572 1
1 404 . 4 1 1 A 39 39 TRP N N 39 124.201 128.460 -4.259 1
1 406 . 4 1 1 A 40 40 LEU H H 40 8.695 8.406 0.289 1
1 407 . 4 1 1 A 40 40 LEU HA H 40 5.636 4.906 0.730 1
1 417 . 4 1 1 A 40 40 LEU C C 40 175.416 175.116 0.300 1
1 418 . 4 1 1 A 40 40 LEU CA C 40 54.030 53.768 0.262 1
1 419 . 4 1 1 A 40 40 LEU CB C 40 44.846 44.153 0.693 1
1 423 . 4 1 1 A 40 40 LEU N N 40 132.690 129.662 3.028 1
1 424 . 4 1 1 A 41 41 THR H H 41 9.103 8.812 0.291 1
1 425 . 4 1 1 A 41 41 THR HA H 41 5.341 4.871 0.470 1
1 430 . 4 1 1 A 41 41 THR C C 41 173.042 172.842 0.200 1
1 431 . 4 1 1 A 41 41 THR CA C 41 60.118 60.607 -0.489 1
1 432 . 4 1 1 A 41 41 THR CB C 41 71.493 70.828 0.665 1
1 434 . 4 1 1 A 41 41 THR N N 41 117.923 114.953 2.970 1
1 435 . 4 1 1 A 42 42 TYR H H 42 9.073 8.738 0.335 1
1 436 . 4 1 1 A 42 42 TYR HA H 42 5.915 5.747 0.168 1
1 443 . 4 1 1 A 42 42 TYR C C 42 173.637 174.325 -0.688 1
1 444 . 4 1 1 A 42 42 TYR CA C 42 55.146 55.306 -0.160 1
1 445 . 4 1 1 A 42 42 TYR CB C 42 42.124 41.558 0.566 1
1 450 . 4 1 1 A 42 42 TYR N N 42 118.958 121.870 -2.912 1
1 451 . 4 1 1 A 43 43 ALA H H 43 8.508 8.708 -0.200 1
1 452 . 4 1 1 A 43 43 ALA HA H 43 5.099 4.602 0.497 1
1 456 . 4 1 1 A 43 43 ALA C C 43 173.859 176.903 -3.044 1
1 457 . 4 1 1 A 43 43 ALA CA C 43 50.156 50.196 -0.040 1
1 458 . 4 1 1 A 43 43 ALA CB C 43 21.455 22.284 -0.829 1
1 459 . 4 1 1 A 43 43 ALA N N 43 122.386 121.076 1.310 1
1 460 . 4 1 1 A 44 44 PRO HA H 44 4.079 4.029 0.050 1
1 467 . 4 1 1 A 44 44 PRO C C 44 178.191 176.466 1.725 1
1 468 . 4 1 1 A 44 44 PRO CA C 44 63.194 63.426 -0.232 1
1 469 . 4 1 1 A 44 44 PRO CB C 44 31.525 31.910 -0.385 1
1 472 . 4 1 1 A 45 45 ALA H H 45 8.934 7.855 1.079 1
1 473 . 4 1 1 A 45 45 ALA HA H 45 3.965 3.951 0.014 1
1 477 . 4 1 1 A 45 45 ALA C C 45 177.272 175.809 1.463 1
1 478 . 4 1 1 A 45 45 ALA CA C 45 53.911 53.166 0.745 1
1 479 . 4 1 1 A 45 45 ALA CB C 45 18.221 17.637 0.584 1
1 480 . 4 1 1 A 45 45 ALA N N 45 129.632 120.473 9.159 1
1 481 . 4 1 1 A 46 46 SER H H 46 8.311 7.588 0.723 1
1 482 . 4 1 1 A 46 46 SER HA H 46 4.193 4.964 -0.771 1
1 485 . 4 1 1 A 46 46 SER C C 46 175.546 173.083 2.463 1
1 486 . 4 1 1 A 46 46 SER CA C 46 58.584 58.023 0.561 1
1 487 . 4 1 1 A 46 46 SER CB C 46 63.543 67.273 -3.730 1
1 488 . 4 1 1 A 46 46 SER N N 46 111.878 111.185 0.693 1
1 489 . 4 1 1 A 47 47 GLY H H 47 7.743 9.047 -1.304 1
1 490 . 4 1 1 A 47 47 GLY HA2 H 47 4.203 3.893 0.310 1
1 491 . 4 1 1 A 47 47 GLY HA3 H 47 3.840 3.896 -0.056 1
1 492 . 4 1 1 A 47 47 GLY C C 47 174.463 174.362 0.101 1
1 493 . 4 1 1 A 47 47 GLY CA C 47 45.501 47.243 -1.742 1
1 494 . 4 1 1 A 47 47 GLY N N 47 108.526 113.710 -5.184 1
1 495 . 4 1 1 A 48 48 LEU H H 48 7.794 8.063 -0.269 1
1 496 . 4 1 1 A 48 48 LEU HA H 48 4.448 4.453 -0.005 1
1 506 . 4 1 1 A 48 48 LEU C C 48 176.668 176.672 -0.004 1
1 507 . 4 1 1 A 48 48 LEU CA C 48 54.470 55.685 -1.215 1
1 508 . 4 1 1 A 48 48 LEU CB C 48 41.445 44.192 -2.747 1
1 512 . 4 1 1 A 48 48 LEU N N 48 120.348 119.594 0.754 1
1 513 . 4 1 1 A 49 49 GLY H H 49 7.889 7.931 -0.042 1
1 514 . 4 1 1 A 49 49 GLY HA2 H 49 4.266 4.077 0.189 1
1 515 . 4 1 1 A 49 49 GLY HA3 H 49 3.965 4.078 -0.113 1
1 516 . 4 1 1 A 49 49 GLY C C 49 170.653 172.637 -1.984 1
1 517 . 4 1 1 A 49 49 GLY CA C 49 44.151 43.906 0.245 1
1 518 . 4 1 1 A 49 49 GLY N N 49 108.892 105.269 3.623 1
1 519 . 4 1 1 A 50 50 PRO HA H 50 4.483 4.581 -0.098 1
1 526 . 4 1 1 A 50 50 PRO C C 50 176.143 175.332 0.811 1
1 527 . 4 1 1 A 50 50 PRO CA C 50 62.639 62.801 -0.162 1
1 528 . 4 1 1 A 50 50 PRO CB C 50 32.575 32.835 -0.260 1
1 531 . 4 1 1 A 51 51 GLU H H 51 8.463 8.596 -0.133 1
1 532 . 4 1 1 A 51 51 GLU HA H 51 4.560 4.733 -0.173 1
1 537 . 4 1 1 A 51 51 GLU C C 51 175.792 175.451 0.341 1
1 538 . 4 1 1 A 51 51 GLU CA C 51 55.516 55.280 0.236 1
1 539 . 4 1 1 A 51 51 GLU CB C 51 31.305 33.179 -1.874 1
1 541 . 4 1 1 A 51 51 GLU N N 51 121.175 121.458 -0.283 1
1 542 . 4 1 1 A 52 52 LYS H H 52 8.180 7.963 0.217 1
1 543 . 4 1 1 A 52 52 LYS HA H 52 4.511 4.753 -0.242 1
1 552 . 4 1 1 A 52 52 LYS C C 52 174.000 175.065 -1.065 1
1 553 . 4 1 1 A 52 52 LYS CA C 52 54.952 54.493 0.459 1
1 554 . 4 1 1 A 52 52 LYS CB C 52 36.101 34.186 1.915 1
1 558 . 4 1 1 A 52 52 LYS N N 52 125.598 126.490 -0.892 1
1 559 . 4 1 1 A 53 53 SER H H 53 8.087 8.468 -0.381 1
1 560 . 4 1 1 A 53 53 SER HA H 53 5.637 5.044 0.593 1
1 563 . 4 1 1 A 53 53 SER C C 53 173.704 172.942 0.762 1
1 564 . 4 1 1 A 53 53 SER CA C 53 56.662 57.211 -0.549 1
1 565 . 4 1 1 A 53 53 SER CB C 53 67.219 65.683 1.536 1
1 566 . 4 1 1 A 53 53 SER N N 53 112.778 113.304 -0.526 1
1 567 . 4 1 1 A 54 54 VAL H H 54 8.940 8.501 0.439 1
1 568 . 4 1 1 A 54 54 VAL HA H 54 4.314 4.840 -0.526 1
1 576 . 4 1 1 A 54 54 VAL C C 54 172.304 174.135 -1.831 1
1 577 . 4 1 1 A 54 54 VAL CA C 54 60.506 59.156 1.350 1
1 578 . 4 1 1 A 54 54 VAL CB C 54 36.121 35.321 0.800 1
1 581 . 4 1 1 A 54 54 VAL N N 54 119.961 119.750 0.211 1
1 582 . 4 1 1 A 55 55 SER H H 55 8.180 8.786 -0.606 1
1 583 . 4 1 1 A 55 55 SER HA H 55 5.461 5.083 0.378 1
1 586 . 4 1 1 A 55 55 SER C C 55 174.870 173.914 0.956 1
1 587 . 4 1 1 A 55 55 SER CA C 55 56.065 58.173 -2.108 1
1 588 . 4 1 1 A 55 55 SER CB C 55 64.094 64.204 -0.110 1
1 589 . 4 1 1 A 55 55 SER N N 55 117.963 118.852 -0.889 1
1 590 . 4 1 1 A 56 56 VAL H H 56 9.201 8.675 0.526 1
1 591 . 4 1 1 A 56 56 VAL HA H 56 4.780 4.636 0.144 1
1 599 . 4 1 1 A 56 56 VAL C C 56 173.446 174.204 -0.758 1
1 600 . 4 1 1 A 56 56 VAL CA C 56 58.760 58.974 -0.214 1
1 601 . 4 1 1 A 56 56 VAL CB C 56 35.954 35.926 0.028 1
1 604 . 4 1 1 A 56 56 VAL N N 56 127.863 126.182 1.681 1
1 605 . 4 1 1 A 57 57 PRO HA H 57 4.582 4.661 -0.079 1
1 612 . 4 1 1 A 57 57 PRO C C 57 176.776 178.625 -1.849 1
1 613 . 4 1 1 A 57 57 PRO CA C 57 64.226 63.580 0.646 1
1 614 . 4 1 1 A 57 57 PRO CB C 57 33.063 31.737 1.326 1
1 617 . 4 1 1 A 58 58 GLY H H 58 7.663 8.905 -1.242 1
1 618 . 4 1 1 A 58 58 GLY HA2 H 58 3.684 3.863 -0.179 1
1 619 . 4 1 1 A 58 58 GLY HA3 H 58 3.620 4.166 -0.546 1
1 620 . 4 1 1 A 58 58 GLY C C 58 173.755 175.754 -1.999 1
1 621 . 4 1 1 A 58 58 GLY CA C 58 46.877 47.389 -0.512 1
1 622 . 4 1 1 A 58 58 GLY N N 58 106.964 113.203 -6.239 1
1 623 . 4 1 1 A 59 59 ALA H H 59 7.900 8.095 -0.195 1
1 624 . 4 1 1 A 59 59 ALA HA H 59 4.516 4.064 0.452 1
1 628 . 4 1 1 A 59 59 ALA C C 59 178.104 177.575 0.529 1
1 629 . 4 1 1 A 59 59 ALA CA C 59 52.713 55.016 -2.303 1
1 630 . 4 1 1 A 59 59 ALA CB C 59 19.380 18.716 0.664 1
1 631 . 4 1 1 A 59 59 ALA N N 59 119.932 124.191 -4.259 1
1 632 . 4 1 1 A 60 60 ARG H H 60 8.306 8.043 0.263 1
1 633 . 4 1 1 A 60 60 ARG HA H 60 4.559 4.717 -0.158 1
1 640 . 4 1 1 A 60 60 ARG C C 60 174.842 175.693 -0.851 1
1 641 . 4 1 1 A 60 60 ARG CA C 60 55.357 55.079 0.278 1
1 642 . 4 1 1 A 60 60 ARG CB C 60 32.823 32.061 0.762 1
1 645 . 4 1 1 A 60 60 ARG N N 60 118.739 115.906 2.833 1
1 646 . 4 1 1 A 61 61 SER H H 61 8.229 8.495 -0.266 1
1 647 . 4 1 1 A 61 61 SER HA H 61 3.709 4.435 -0.726 1
1 650 . 4 1 1 A 61 61 SER C C 61 170.973 172.396 -1.423 1
1 651 . 4 1 1 A 61 61 SER CA C 61 56.045 56.967 -0.922 1
1 652 . 4 1 1 A 61 61 SER CB C 61 63.329 62.870 0.459 1
1 653 . 4 1 1 A 61 61 SER N N 61 110.956 112.275 -1.319 1
1 654 . 4 1 1 A 62 62 HIS H H 62 6.458 6.939 -0.481 1
1 655 . 4 1 1 A 62 62 HIS HA H 62 4.626 4.184 0.442 1
1 660 . 4 1 1 A 62 62 HIS C C 62 173.581 173.070 0.511 1
1 661 . 4 1 1 A 62 62 HIS CA C 62 54.494 53.679 0.815 1
1 662 . 4 1 1 A 62 62 HIS CB C 62 32.485 31.599 0.886 1
1 665 . 4 1 1 A 62 62 HIS N N 62 113.571 115.929 -2.358 1
1 666 . 4 1 1 A 63 63 VAL H H 63 8.794 8.261 0.533 1
1 667 . 4 1 1 A 63 63 VAL HA H 63 4.325 4.507 -0.182 1
1 675 . 4 1 1 A 63 63 VAL C C 63 171.906 174.045 -2.139 1
1 676 . 4 1 1 A 63 63 VAL CA C 63 61.052 60.364 0.688 1
1 677 . 4 1 1 A 63 63 VAL CB C 63 34.800 35.011 -0.211 1
1 680 . 4 1 1 A 63 63 VAL N N 63 118.122 119.321 -1.199 1
1 681 . 4 1 1 A 64 64 THR H H 64 8.316 8.735 -0.419 1
1 682 . 4 1 1 A 64 64 THR HA H 64 4.970 4.858 0.112 1
1 687 . 4 1 1 A 64 64 THR C C 64 173.412 173.260 0.152 1
1 688 . 4 1 1 A 64 64 THR CA C 64 61.775 61.664 0.111 1
1 689 . 4 1 1 A 64 64 THR CB C 64 69.851 70.257 -0.406 1
1 691 . 4 1 1 A 64 64 THR N N 64 122.871 122.665 0.206 1
1 692 . 4 1 1 A 65 65 LEU H H 65 9.348 8.437 0.911 1
1 693 . 4 1 1 A 65 65 LEU HA H 65 4.584 4.734 -0.150 1
1 703 . 4 1 1 A 65 65 LEU C C 65 173.397 174.903 -1.506 1
1 704 . 4 1 1 A 65 65 LEU CA C 65 50.297 51.139 -0.842 1
1 705 . 4 1 1 A 65 65 LEU CB C 65 41.547 42.183 -0.636 1
1 709 . 4 1 1 A 65 65 LEU N N 65 129.778 127.289 2.489 1
1 710 . 4 1 1 A 66 66 PRO HA H 66 4.868 4.519 0.349 1
1 717 . 4 1 1 A 66 66 PRO C C 66 175.188 176.220 -1.032 1
1 718 . 4 1 1 A 66 66 PRO CA C 66 61.370 62.667 -1.297 1
1 719 . 4 1 1 A 66 66 PRO CB C 66 33.700 32.674 1.026 1
1 722 . 4 1 1 A 67 67 ASP H H 67 8.729 8.821 -0.092 1
1 723 . 4 1 1 A 67 67 ASP HA H 67 4.333 4.092 0.241 1
1 726 . 4 1 1 A 67 67 ASP C C 67 175.824 174.964 0.860 1
1 727 . 4 1 1 A 67 67 ASP CA C 67 55.181 54.734 0.447 1
1 728 . 4 1 1 A 67 67 ASP CB C 67 39.225 39.619 -0.394 1
1 729 . 4 1 1 A 67 67 ASP N N 67 113.984 116.135 -2.151 1
1 730 . 4 1 1 A 68 68 LEU H H 68 8.599 7.507 1.092 1
1 731 . 4 1 1 A 68 68 LEU HA H 68 4.414 4.719 -0.305 1
1 741 . 4 1 1 A 68 68 LEU C C 68 176.487 176.498 -0.011 1
1 742 . 4 1 1 A 68 68 LEU CA C 68 53.259 53.131 0.128 1
1 743 . 4 1 1 A 68 68 LEU CB C 68 41.630 44.255 -2.625 1
1 747 . 4 1 1 A 68 68 LEU N N 68 118.102 118.663 -0.561 1
1 748 . 4 1 1 A 69 69 GLN H H 69 8.114 8.286 -0.172 1
1 749 . 4 1 1 A 69 69 GLN HA H 69 4.349 4.757 -0.408 1
1 756 . 4 1 1 A 69 69 GLN C C 69 175.669 174.893 0.776 1
1 757 . 4 1 1 A 69 69 GLN CA C 69 54.722 54.523 0.199 1
1 758 . 4 1 1 A 69 69 GLN CB C 69 30.803 31.071 -0.268 1
1 760 . 4 1 1 A 69 69 GLN N N 69 118.191 119.977 -1.786 1
1 762 . 4 1 1 A 70 70 ALA H H 70 8.240 8.721 -0.481 1
1 763 . 4 1 1 A 70 70 ALA HA H 70 4.835 4.850 -0.015 1
1 767 . 4 1 1 A 70 70 ALA C C 70 178.720 177.121 1.599 1
1 768 . 4 1 1 A 70 70 ALA CA C 70 52.501 50.489 2.012 1
1 769 . 4 1 1 A 70 70 ALA CB C 70 20.257 21.593 -1.336 1
1 770 . 4 1 1 A 70 70 ALA N N 70 124.989 121.710 3.279 1
1 771 . 4 1 1 A 71 71 ALA H H 71 8.003 8.108 -0.105 1
1 772 . 4 1 1 A 71 71 ALA HA H 71 3.974 3.873 0.101 1
1 776 . 4 1 1 A 71 71 ALA C C 71 176.118 176.009 0.109 1
1 777 . 4 1 1 A 71 71 ALA CA C 71 52.491 53.188 -0.697 1
1 778 . 4 1 1 A 71 71 ALA CB C 71 18.439 17.886 0.553 1
1 779 . 4 1 1 A 71 71 ALA N N 71 128.133 120.951 7.182 1
1 780 . 4 1 1 A 72 72 THR H H 72 8.391 8.120 0.271 1
1 781 . 4 1 1 A 72 72 THR HA H 72 4.563 4.728 -0.165 1
1 786 . 4 1 1 A 72 72 THR C C 72 172.643 174.060 -1.417 1
1 787 . 4 1 1 A 72 72 THR CA C 72 62.856 61.844 1.012 1
1 788 . 4 1 1 A 72 72 THR CB C 72 71.924 71.287 0.637 1
1 790 . 4 1 1 A 72 72 THR N N 72 114.280 111.330 2.950 1
1 791 . 4 1 1 A 73 73 LYS H H 73 8.691 8.423 0.268 1
1 792 . 4 1 1 A 73 73 LYS HA H 73 4.846 4.639 0.207 1
1 801 . 4 1 1 A 73 73 LYS C C 73 176.405 175.710 0.695 1
1 802 . 4 1 1 A 73 73 LYS CA C 73 55.992 55.974 0.018 1
1 803 . 4 1 1 A 73 73 LYS CB C 73 33.535 33.077 0.458 1
1 807 . 4 1 1 A 73 73 LYS N N 73 125.989 126.350 -0.361 1
1 808 . 4 1 1 A 74 74 TYR H H 74 9.569 8.731 0.838 1
1 809 . 4 1 1 A 74 74 TYR HA H 74 4.758 5.428 -0.670 1
1 816 . 4 1 1 A 74 74 TYR C C 74 173.567 174.873 -1.306 1
1 817 . 4 1 1 A 74 74 TYR CA C 74 58.778 56.670 2.108 1
1 818 . 4 1 1 A 74 74 TYR CB C 74 42.667 41.412 1.255 1
1 823 . 4 1 1 A 74 74 TYR N N 74 126.436 118.053 8.383 1
1 824 . 4 1 1 A 75 75 ARG H H 75 9.005 8.745 0.260 1
1 825 . 4 1 1 A 75 75 ARG HA H 75 5.053 4.771 0.282 1
1 832 . 4 1 1 A 75 75 ARG C C 75 175.042 175.126 -0.084 1
1 833 . 4 1 1 A 75 75 ARG CA C 75 55.027 56.509 -1.482 1
1 834 . 4 1 1 A 75 75 ARG CB C 75 32.284 30.756 1.528 1
1 837 . 4 1 1 A 75 75 ARG N N 75 121.560 126.157 -4.597 1
1 838 . 4 1 1 A 76 76 VAL H H 76 9.127 9.024 0.103 1
1 839 . 4 1 1 A 76 76 VAL HA H 76 4.977 4.516 0.461 1
1 847 . 4 1 1 A 76 76 VAL C C 76 173.144 175.464 -2.320 1
1 848 . 4 1 1 A 76 76 VAL CA C 76 60.876 62.283 -1.407 1
1 849 . 4 1 1 A 76 76 VAL CB C 76 34.922 31.873 3.049 1
1 852 . 4 1 1 A 76 76 VAL N N 76 127.571 127.528 0.043 1
1 853 . 4 1 1 A 77 77 LEU H H 77 9.083 9.500 -0.417 1
1 854 . 4 1 1 A 77 77 LEU HA H 77 5.350 5.546 -0.196 1
1 864 . 4 1 1 A 77 77 LEU C C 77 176.622 175.659 0.963 1
1 865 . 4 1 1 A 77 77 LEU CA C 77 53.911 53.269 0.642 1
1 866 . 4 1 1 A 77 77 LEU CB C 77 44.959 42.924 2.035 1
1 870 . 4 1 1 A 77 77 LEU N N 77 127.310 128.812 -1.502 1
1 871 . 4 1 1 A 78 78 VAL H H 78 8.918 8.599 0.319 1
1 872 . 4 1 1 A 78 78 VAL HA H 78 4.890 4.879 0.011 1
1 880 . 4 1 1 A 78 78 VAL C C 78 174.235 175.047 -0.812 1
1 881 . 4 1 1 A 78 78 VAL CA C 78 61.193 60.641 0.552 1
1 882 . 4 1 1 A 78 78 VAL CB C 78 34.718 34.145 0.573 1
1 885 . 4 1 1 A 78 78 VAL N N 78 119.228 126.746 -7.518 1
1 886 . 4 1 1 A 79 79 SER H H 79 8.598 8.815 -0.217 1
1 887 . 4 1 1 A 79 79 SER HA H 79 4.725 4.963 -0.238 1
1 890 . 4 1 1 A 79 79 SER C C 79 172.877 173.045 -0.168 1
1 891 . 4 1 1 A 79 79 SER CA C 79 56.680 57.671 -0.991 1
1 892 . 4 1 1 A 79 79 SER CB C 79 65.806 66.212 -0.406 1
1 893 . 4 1 1 A 79 79 SER N N 79 119.664 122.872 -3.208 1
1 894 . 4 1 1 A 80 80 ALA H H 80 8.939 8.206 0.733 1
1 895 . 4 1 1 A 80 80 ALA HA H 80 4.325 4.399 -0.074 1
1 899 . 4 1 1 A 80 80 ALA C C 80 174.050 176.546 -2.496 1
1 900 . 4 1 1 A 80 80 ALA CA C 80 51.126 51.972 -0.846 1
1 901 . 4 1 1 A 80 80 ALA CB C 80 21.990 19.027 2.963 1
1 902 . 4 1 1 A 80 80 ALA N N 80 126.283 128.205 -1.922 1
1 903 . 4 1 1 A 81 81 ILE H H 81 8.424 8.289 0.135 1
1 904 . 4 1 1 A 81 81 ILE HA H 81 4.116 4.507 -0.391 1
1 914 . 4 1 1 A 81 81 ILE C C 81 173.862 174.320 -0.458 1
1 915 . 4 1 1 A 81 81 ILE CA C 81 61.175 60.233 0.942 1
1 916 . 4 1 1 A 81 81 ILE CB C 81 36.015 38.562 -2.547 1
1 920 . 4 1 1 A 81 81 ILE N N 81 123.033 123.068 -0.035 1
1 921 . 4 1 1 A 82 82 TYR H H 82 8.377 8.644 -0.267 1
1 922 . 4 1 1 A 82 82 TYR HA H 82 4.681 4.866 -0.185 1
1 929 . 4 1 1 A 82 82 TYR C C 82 176.146 176.456 -0.310 1
1 930 . 4 1 1 A 82 82 TYR CA C 82 56.309 56.703 -0.394 1
1 931 . 4 1 1 A 82 82 TYR CB C 82 40.734 42.054 -1.320 1
1 936 . 4 1 1 A 82 82 TYR N N 82 125.168 125.990 -0.822 1
1 937 . 4 1 1 A 83 83 ALA H H 83 9.437 9.058 0.379 1
1 938 . 4 1 1 A 83 83 ALA HA H 83 4.059 4.077 -0.018 1
1 942 . 4 1 1 A 83 83 ALA C C 83 179.312 180.087 -0.775 1
1 943 . 4 1 1 A 83 83 ALA CA C 83 55.729 55.595 0.134 1
1 944 . 4 1 1 A 83 83 ALA CB C 83 17.613 18.348 -0.735 1
1 945 . 4 1 1 A 83 83 ALA N N 83 125.234 124.923 0.311 1
1 946 . 4 1 1 A 84 84 ALA H H 84 7.823 7.883 -0.060 1
1 947 . 4 1 1 A 84 84 ALA HA H 84 4.434 4.125 0.309 1
1 951 . 4 1 1 A 84 84 ALA C C 84 176.808 177.625 -0.817 1
1 952 . 4 1 1 A 84 84 ALA CA C 84 51.936 54.733 -2.797 1
1 953 . 4 1 1 A 84 84 ALA CB C 84 19.514 19.856 -0.342 1
1 954 . 4 1 1 A 84 84 ALA N N 84 114.587 119.950 -5.363 1
1 955 . 4 1 1 A 85 85 GLY H H 85 7.366 7.390 -0.024 1
1 956 . 4 1 1 A 85 85 GLY HA2 H 85 4.362 4.024 0.338 1
1 957 . 4 1 1 A 85 85 GLY HA3 H 85 3.835 4.033 -0.198 1
1 958 . 4 1 1 A 85 85 GLY C C 85 171.544 172.141 -0.597 1
1 959 . 4 1 1 A 85 85 GLY CA C 85 44.576 45.693 -1.117 1
1 960 . 4 1 1 A 85 85 GLY N N 85 105.342 101.955 3.387 1
1 961 . 4 1 1 A 86 86 ARG H H 86 8.626 8.441 0.185 1
1 962 . 4 1 1 A 86 86 ARG HA H 86 5.263 4.935 0.328 1
1 969 . 4 1 1 A 86 86 ARG C C 86 176.925 176.038 0.887 1
1 970 . 4 1 1 A 86 86 ARG CA C 86 54.863 55.873 -1.010 1
1 971 . 4 1 1 A 86 86 ARG CB C 86 33.491 31.116 2.375 1
1 974 . 4 1 1 A 86 86 ARG N N 86 118.147 117.784 0.363 1
1 975 . 4 1 1 A 87 87 SER H H 87 9.496 8.919 0.577 1
1 976 . 4 1 1 A 87 87 SER HA H 87 4.747 4.647 0.100 1
1 979 . 4 1 1 A 87 87 SER C C 87 174.538 174.531 0.007 1
1 980 . 4 1 1 A 87 87 SER CA C 87 58.284 57.966 0.318 1
1 981 . 4 1 1 A 87 87 SER CB C 87 67.271 65.474 1.797 1
1 982 . 4 1 1 A 87 87 SER N N 87 119.835 114.838 4.997 1
1 983 . 4 1 1 A 88 88 GLU H H 88 9.058 8.592 0.466 1
1 984 . 4 1 1 A 88 88 GLU HA H 88 4.342 4.221 0.121 1
1 989 . 4 1 1 A 88 88 GLU C C 88 176.157 175.908 0.249 1
1 990 . 4 1 1 A 88 88 GLU CA C 88 56.874 56.524 0.350 1
1 991 . 4 1 1 A 88 88 GLU CB C 88 30.350 30.002 0.348 1
1 993 . 4 1 1 A 88 88 GLU N N 88 119.700 120.224 -0.524 1
1 994 . 4 1 1 A 89 89 ALA H H 89 8.674 8.639 0.035 1
1 995 . 4 1 1 A 89 89 ALA HA H 89 4.918 5.610 -0.692 1
1 999 . 4 1 1 A 89 89 ALA C C 89 178.887 176.327 2.560 1
1 1000 . 4 1 1 A 89 89 ALA CA C 89 51.340 50.237 1.103 1
1 1001 . 4 1 1 A 89 89 ALA CB C 89 20.130 21.011 -0.881 1
1 1002 . 4 1 1 A 89 89 ALA N N 89 125.485 124.175 1.310 1
1 1003 . 4 1 1 A 90 90 VAL H H 90 8.621 8.537 0.084 1
1 1004 . 4 1 1 A 90 90 VAL HA H 90 4.562 4.828 -0.266 1
1 1012 . 4 1 1 A 90 90 VAL C C 90 174.251 175.744 -1.493 1
1 1013 . 4 1 1 A 90 90 VAL CA C 90 60.365 60.522 -0.157 1
1 1014 . 4 1 1 A 90 90 VAL CB C 90 33.770 33.309 0.461 1
1 1017 . 4 1 1 A 90 90 VAL N N 90 119.440 120.219 -0.779 1
1 1018 . 4 1 1 A 91 91 SER H H 91 8.373 8.873 -0.500 1
1 1019 . 4 1 1 A 91 91 SER HA H 91 5.877 5.181 0.696 1
1 1022 . 4 1 1 A 91 91 SER C C 91 174.245 173.732 0.513 1
1 1023 . 4 1 1 A 91 91 SER CA C 91 56.109 56.670 -0.561 1
1 1024 . 4 1 1 A 91 91 SER CB C 91 67.620 65.171 2.449 1
1 1025 . 4 1 1 A 91 91 SER N N 91 116.084 120.738 -4.654 1
1 1026 . 4 1 1 A 92 92 ALA H H 92 8.900 8.786 0.114 1
1 1027 . 4 1 1 A 92 92 ALA HA H 92 4.681 4.931 -0.250 1
1 1031 . 4 1 1 A 92 92 ALA C C 92 175.187 176.403 -1.216 1
1 1032 . 4 1 1 A 92 92 ALA CA C 92 51.990 52.046 -0.056 1
1 1033 . 4 1 1 A 92 92 ALA CB C 92 23.056 21.392 1.664 1
1 1034 . 4 1 1 A 92 92 ALA N N 92 123.885 121.936 1.949 1
1 1035 . 4 1 1 A 93 93 THR H H 93 8.466 8.688 -0.222 1
1 1036 . 4 1 1 A 93 93 THR HA H 93 5.623 5.086 0.537 1
1 1041 . 4 1 1 A 93 93 THR C C 93 174.366 174.348 0.018 1
1 1042 . 4 1 1 A 93 93 THR CA C 93 60.154 60.529 -0.375 1
1 1043 . 4 1 1 A 93 93 THR CB C 93 71.657 70.177 1.480 1
1 1045 . 4 1 1 A 93 93 THR N N 93 112.591 115.607 -3.016 1
1 1046 . 4 1 1 A 94 94 GLY H H 94 8.657 8.876 -0.219 1
1 1047 . 4 1 1 A 94 94 GLY HA2 H 94 4.483 4.282 0.201 1
1 1048 . 4 1 1 A 94 94 GLY HA3 H 94 3.625 4.295 -0.670 1
1 1049 . 4 1 1 A 94 94 GLY C C 94 170.518 173.246 -2.728 1
1 1050 . 4 1 1 A 94 94 GLY CA C 94 44.849 44.803 0.046 1
1 1051 . 4 1 1 A 94 94 GLY N N 94 111.375 110.348 1.027 1
1 1052 . 4 1 1 A 95 95 GLN H H 95 8.667 8.772 -0.105 1
1 1053 . 4 1 1 A 95 95 GLN HA H 95 5.491 4.324 1.167 1
1 1060 . 4 1 1 A 95 95 GLN C C 95 176.226 175.317 0.909 1
1 1061 . 4 1 1 A 95 95 GLN CA C 95 54.000 56.521 -2.521 1
1 1062 . 4 1 1 A 95 95 GLN CB C 95 32.822 29.399 3.423 1
1 1064 . 4 1 1 A 95 95 GLN N N 95 120.893 125.526 -4.633 1
1 1066 . 4 1 1 A 96 96 THR H H 96 8.609 8.532 0.077 1
1 1067 . 4 1 1 A 96 96 THR HA H 96 4.384 4.595 -0.211 1
1 1072 . 4 1 1 A 96 96 THR C C 96 175.194 174.386 0.808 1
1 1073 . 4 1 1 A 96 96 THR CA C 96 60.783 61.423 -0.640 1
1 1074 . 4 1 1 A 96 96 THR CB C 96 70.198 71.383 -1.185 1
1 1076 . 4 1 1 A 96 96 THR N N 96 115.777 116.051 -0.274 1
1 1077 . 4 1 1 A 97 97 ALA H H 97 8.009 8.204 -0.195 1
1 1078 . 4 1 1 A 97 97 ALA HA H 97 4.186 4.470 -0.284 1
1 1082 . 4 1 1 A 97 97 ALA C C 97 176.174 177.170 -0.996 1
1 1083 . 4 1 1 A 97 97 ALA CA C 97 52.077 51.865 0.212 1
1 1084 . 4 1 1 A 97 97 ALA CB C 97 19.001 19.382 -0.381 1
1 1085 . 4 1 1 A 97 97 ALA N N 97 120.015 122.865 -2.850 1
1 1086 . 4 1 1 A 98 98 CYS H H 98 8.239 8.974 -0.735 1
1 1087 . 4 1 1 A 98 98 CYS HA H 98 4.705 4.898 -0.193 1
1 1090 . 4 1 1 A 98 98 CYS C C 98 173.203 174.923 -1.720 1
1 1091 . 4 1 1 A 98 98 CYS CA C 98 56.644 57.469 -0.825 1
1 1092 . 4 1 1 A 98 98 CYS CB C 98 27.357 27.896 -0.539 1
1 1093 . 4 1 1 A 98 98 CYS N N 98 116.874 119.164 -2.290 1
1 1094 . 4 1 1 A 99 99 PRO HA H 99 4.421 4.446 -0.025 1
1 1101 . 4 1 1 A 99 99 PRO CA C 99 63.337 64.811 -1.474 1
1 1102 . 4 1 1 A 99 99 PRO CB C 99 32.132 32.192 -0.060 1
1 1105 . 4 1 1 A 100 100 SER H H 100 8.463 7.735 0.728 1
1 1106 . 4 1 1 A 100 100 SER HA H 100 4.470 4.947 -0.477 1
1 1109 . 4 1 1 A 100 100 SER CA C 100 58.453 57.183 1.270 1
1 1110 . 4 1 1 A 100 100 SER CB C 100 64.023 65.910 -1.887 1
1 1111 . 4 1 1 A 100 100 SER N N 100 116.426 108.429 7.997 1
1 1112 . 4 1 1 A 101 101 GLY H H 101 8.237 8.348 -0.111 1
1 1113 . 4 1 1 A 101 101 GLY HA2 H 101 4.165 4.242 -0.077 1
1 1114 . 4 1 1 A 101 101 GLY HA3 H 101 4.100 4.243 -0.143 1
1 1115 . 4 1 1 A 101 101 GLY CA C 101 44.647 45.191 -0.544 1
1 1116 . 4 1 1 A 101 101 GLY N N 101 110.731 108.476 2.255 1
1 1117 . 4 1 1 A 102 102 PRO HA H 102 4.484 4.407 0.077 1
1 1123 . 4 1 1 A 102 102 PRO CA C 102 63.069 64.613 -1.544 1
1 1124 . 4 1 1 A 102 102 PRO CB C 102 32.189 31.810 0.379 1
1 1127 . 4 1 1 A 103 103 SER H H 103 8.540 8.227 0.313 1
1 1 . 5 1 1 A 5 5 SER N N 5 119.122 114.930 4.192 1
1 2 . 5 1 1 A 6 6 SER N N 6 123.945 117.272 6.673 1
1 3 . 5 1 1 A 7 7 GLY HA2 H 7 3.813 3.944 -0.131 1
1 4 . 5 1 1 A 7 7 GLY HA3 H 7 3.813 3.978 -0.165 1
1 5 . 5 1 1 A 7 7 GLY CA C 7 45.375 44.103 1.272 1
1 6 . 5 1 1 A 8 8 ARG H H 8 7.999 8.214 -0.215 1
1 7 . 5 1 1 A 8 8 ARG HA H 8 3.712 3.604 0.108 1
1 14 . 5 1 1 A 8 8 ARG CA C 8 54.185 55.980 -1.795 1
1 15 . 5 1 1 A 8 8 ARG CB C 8 29.555 30.777 -1.222 1
1 18 . 5 1 1 A 8 8 ARG N N 8 121.209 120.392 0.817 1
1 19 . 5 1 1 A 9 9 SER H H 9 7.810 8.568 -0.758 1
1 20 . 5 1 1 A 9 9 SER HA H 9 4.725 4.924 -0.199 1
1 23 . 5 1 1 A 9 9 SER CA C 9 58.455 54.648 3.807 1
1 24 . 5 1 1 A 9 9 SER CB C 9 62.966 65.386 -2.420 1
1 25 . 5 1 1 A 9 9 SER N N 9 118.072 119.699 -1.627 1
1 26 . 5 1 1 A 10 10 PRO HA H 10 5.182 5.040 0.142 1
1 33 . 5 1 1 A 10 10 PRO CA C 10 61.759 61.320 0.439 1
1 34 . 5 1 1 A 10 10 PRO CB C 10 30.280 31.667 -1.387 1
1 37 . 5 1 1 A 11 11 PRO HA H 11 4.567 4.669 -0.102 1
1 44 . 5 1 1 A 11 11 PRO C C 11 173.556 176.164 -2.608 1
1 45 . 5 1 1 A 11 11 PRO CA C 11 62.674 62.631 0.043 1
1 46 . 5 1 1 A 11 11 PRO CB C 11 33.026 31.557 1.469 1
1 49 . 5 1 1 A 12 12 SER H H 12 8.427 8.641 -0.214 1
1 50 . 5 1 1 A 12 12 SER HA H 12 4.890 4.967 -0.077 1
1 53 . 5 1 1 A 12 12 SER C C 12 173.115 173.800 -0.685 1
1 54 . 5 1 1 A 12 12 SER CA C 12 56.556 57.239 -0.683 1
1 55 . 5 1 1 A 12 12 SER CB C 12 66.882 65.944 0.938 1
1 56 . 5 1 1 A 12 12 SER N N 12 111.345 118.109 -6.764 1
1 57 . 5 1 1 A 13 13 ASN H H 13 8.973 8.808 0.165 1
1 58 . 5 1 1 A 13 13 ASN HA H 13 4.318 4.264 0.054 1
1 63 . 5 1 1 A 13 13 ASN C C 13 173.850 174.696 -0.846 1
1 64 . 5 1 1 A 13 13 ASN CA C 13 53.928 54.196 -0.268 1
1 65 . 5 1 1 A 13 13 ASN CB C 13 37.365 36.922 0.443 1
1 66 . 5 1 1 A 13 13 ASN N N 13 115.970 116.844 -0.874 1
1 68 . 5 1 1 A 14 14 LEU H H 14 8.223 8.131 0.092 1
1 69 . 5 1 1 A 14 14 LEU HA H 14 4.857 4.478 0.379 1
1 79 . 5 1 1 A 14 14 LEU C C 14 176.725 177.013 -0.288 1
1 80 . 5 1 1 A 14 14 LEU CA C 14 56.115 56.305 -0.190 1
1 81 . 5 1 1 A 14 14 LEU CB C 14 42.621 41.962 0.659 1
1 85 . 5 1 1 A 14 14 LEU N N 14 119.681 119.794 -0.113 1
1 86 . 5 1 1 A 15 15 ALA H H 15 9.364 8.606 0.758 1
1 87 . 5 1 1 A 15 15 ALA HA H 15 4.736 5.138 -0.402 1
1 91 . 5 1 1 A 15 15 ALA C C 15 175.056 175.406 -0.350 1
1 92 . 5 1 1 A 15 15 ALA CA C 15 51.496 50.806 0.690 1
1 93 . 5 1 1 A 15 15 ALA CB C 15 22.285 21.244 1.041 1
1 94 . 5 1 1 A 15 15 ALA N N 15 130.359 126.738 3.621 1
1 95 . 5 1 1 A 16 16 LEU H H 16 8.448 9.235 -0.787 1
1 96 . 5 1 1 A 16 16 LEU HA H 16 5.385 5.119 0.266 1
1 106 . 5 1 1 A 16 16 LEU C C 16 175.868 175.764 0.104 1
1 107 . 5 1 1 A 16 16 LEU CA C 16 53.224 53.743 -0.519 1
1 108 . 5 1 1 A 16 16 LEU CB C 16 45.061 42.603 2.458 1
1 112 . 5 1 1 A 16 16 LEU N N 16 120.470 124.225 -3.755 1
1 113 . 5 1 1 A 17 17 ALA H H 17 8.737 9.468 -0.731 1
1 114 . 5 1 1 A 17 17 ALA HA H 17 4.620 5.393 -0.773 1
1 118 . 5 1 1 A 17 17 ALA C C 17 175.371 175.267 0.104 1
1 119 . 5 1 1 A 17 17 ALA CA C 17 51.249 50.111 1.138 1
1 120 . 5 1 1 A 17 17 ALA CB C 17 22.570 21.583 0.987 1
1 121 . 5 1 1 A 17 17 ALA N N 17 124.938 128.777 -3.839 1
1 122 . 5 1 1 A 18 18 SER H H 18 8.675 8.665 0.010 1
1 123 . 5 1 1 A 18 18 SER HA H 18 5.021 4.789 0.232 1
1 126 . 5 1 1 A 18 18 SER C C 18 174.678 175.119 -0.441 1
1 127 . 5 1 1 A 18 18 SER CA C 18 57.244 56.506 0.738 1
1 128 . 5 1 1 A 18 18 SER CB C 18 64.200 64.542 -0.342 1
1 129 . 5 1 1 A 18 18 SER N N 18 113.933 118.479 -4.546 1
1 130 . 5 1 1 A 19 19 GLU H H 19 9.743 8.840 0.903 1
1 131 . 5 1 1 A 19 19 GLU HA H 19 4.466 4.656 -0.190 1
1 136 . 5 1 1 A 19 19 GLU C C 19 176.368 176.358 0.010 1
1 137 . 5 1 1 A 19 19 GLU CA C 19 56.295 56.239 0.056 1
1 138 . 5 1 1 A 19 19 GLU CB C 19 31.532 31.588 -0.056 1
1 140 . 5 1 1 A 19 19 GLU N N 19 127.234 123.336 3.898 1
1 141 . 5 1 1 A 20 20 THR H H 20 7.759 7.664 0.095 1
1 142 . 5 1 1 A 20 20 THR HA H 20 4.935 4.672 0.263 1
1 147 . 5 1 1 A 20 20 THR C C 20 171.770 173.688 -1.918 1
1 148 . 5 1 1 A 20 20 THR CA C 20 58.337 58.335 0.002 1
1 149 . 5 1 1 A 20 20 THR CB C 20 69.869 71.657 -1.788 1
1 151 . 5 1 1 A 20 20 THR N N 20 109.600 114.027 -4.427 1
1 152 . 5 1 1 A 21 21 PRO HA H 21 4.587 4.535 0.052 1
1 159 . 5 1 1 A 21 21 PRO C C 21 173.647 176.285 -2.638 1
1 160 . 5 1 1 A 21 21 PRO CA C 21 64.332 64.117 0.215 1
1 161 . 5 1 1 A 21 21 PRO CB C 21 32.380 31.505 0.875 1
1 164 . 5 1 1 A 22 22 ASP H H 22 7.420 8.225 -0.805 1
1 165 . 5 1 1 A 22 22 ASP HA H 22 4.648 4.812 -0.164 1
1 168 . 5 1 1 A 22 22 ASP C C 22 175.838 175.415 0.423 1
1 169 . 5 1 1 A 22 22 ASP CA C 22 51.037 54.126 -3.089 1
1 170 . 5 1 1 A 22 22 ASP CB C 22 42.177 42.524 -0.347 1
1 171 . 5 1 1 A 22 22 ASP N N 22 107.201 117.586 -10.385 1
1 172 . 5 1 1 A 23 23 SER H H 23 7.729 7.605 0.124 1
1 173 . 5 1 1 A 23 23 SER HA H 23 5.474 5.052 0.422 1
1 176 . 5 1 1 A 23 23 SER C C 23 171.887 172.237 -0.350 1
1 177 . 5 1 1 A 23 23 SER CA C 23 57.481 57.451 0.030 1
1 178 . 5 1 1 A 23 23 SER CB C 23 68.168 66.908 1.260 1
1 179 . 5 1 1 A 23 23 SER N N 23 112.046 113.518 -1.472 1
1 180 . 5 1 1 A 24 24 LEU H H 24 7.884 8.243 -0.359 1
1 181 . 5 1 1 A 24 24 LEU HA H 24 4.769 4.852 -0.083 1
1 191 . 5 1 1 A 24 24 LEU C C 24 174.542 173.978 0.564 1
1 192 . 5 1 1 A 24 24 LEU CA C 24 53.576 53.981 -0.405 1
1 193 . 5 1 1 A 24 24 LEU CB C 24 47.616 45.884 1.732 1
1 197 . 5 1 1 A 24 24 LEU N N 24 119.324 123.765 -4.441 1
1 198 . 5 1 1 A 25 25 GLN H H 25 9.356 9.334 0.022 1
1 199 . 5 1 1 A 25 25 GLN HA H 25 4.747 4.638 0.109 1
1 206 . 5 1 1 A 25 25 GLN C C 25 174.824 175.095 -0.271 1
1 207 . 5 1 1 A 25 25 GLN CA C 25 55.533 55.734 -0.201 1
1 208 . 5 1 1 A 25 25 GLN CB C 25 29.759 29.983 -0.224 1
1 210 . 5 1 1 A 25 25 GLN N N 25 124.019 127.439 -3.420 1
1 212 . 5 1 1 A 26 26 VAL H H 26 9.020 8.571 0.449 1
1 213 . 5 1 1 A 26 26 VAL HA H 26 4.824 5.010 -0.186 1
1 221 . 5 1 1 A 26 26 VAL C C 26 174.556 174.081 0.475 1
1 222 . 5 1 1 A 26 26 VAL CA C 26 60.629 60.014 0.615 1
1 223 . 5 1 1 A 26 26 VAL CB C 26 33.355 35.457 -2.102 1
1 226 . 5 1 1 A 26 26 VAL N N 26 127.649 123.392 4.257 1
1 227 . 5 1 1 A 27 27 SER H H 27 9.056 8.849 0.207 1
1 228 . 5 1 1 A 27 27 SER HA H 27 4.857 4.940 -0.083 1
1 231 . 5 1 1 A 27 27 SER C C 27 172.328 173.026 -0.698 1
1 232 . 5 1 1 A 27 27 SER CA C 27 57.138 56.462 0.676 1
1 233 . 5 1 1 A 27 27 SER CB C 27 66.864 66.810 0.054 1
1 234 . 5 1 1 A 27 27 SER N N 27 119.826 121.373 -1.547 1
1 235 . 5 1 1 A 28 28 TRP H H 28 7.584 8.309 -0.725 1
1 236 . 5 1 1 A 28 28 TRP HA H 28 5.022 5.355 -0.333 1
1 245 . 5 1 1 A 28 28 TRP C C 28 174.055 172.832 1.223 1
1 246 . 5 1 1 A 28 28 TRP CA C 28 56.609 55.642 0.967 1
1 247 . 5 1 1 A 28 28 TRP CB C 28 29.814 31.329 -1.515 1
1 253 . 5 1 1 A 28 28 TRP N N 28 115.280 118.077 -2.797 1
1 255 . 5 1 1 A 29 29 THR H H 29 9.293 9.009 0.284 1
1 256 . 5 1 1 A 29 29 THR HA H 29 4.865 4.805 0.060 1
1 261 . 5 1 1 A 29 29 THR C C 29 173.203 173.547 -0.344 1
1 262 . 5 1 1 A 29 29 THR CA C 29 59.889 59.399 0.490 1
1 263 . 5 1 1 A 29 29 THR CB C 29 69.774 69.942 -0.168 1
1 265 . 5 1 1 A 29 29 THR N N 29 117.164 115.431 1.733 1
1 266 . 5 1 1 A 30 30 PRO HA H 30 4.809 4.827 -0.018 1
1 273 . 5 1 1 A 30 30 PRO CA C 30 61.701 61.850 -0.149 1
1 274 . 5 1 1 A 30 30 PRO CB C 30 32.114 32.238 -0.124 1
1 277 . 5 1 1 A 31 31 PRO HA H 31 4.703 4.739 -0.036 1
1 284 . 5 1 1 A 31 31 PRO C C 31 175.384 176.204 -0.820 1
1 285 . 5 1 1 A 31 31 PRO CA C 31 61.793 62.376 -0.583 1
1 286 . 5 1 1 A 31 31 PRO CB C 31 32.822 33.434 -0.612 1
1 289 . 5 1 1 A 32 32 LEU H H 32 8.312 8.161 0.151 1
1 290 . 5 1 1 A 32 32 LEU HA H 32 4.333 4.452 -0.119 1
1 300 . 5 1 1 A 32 32 LEU C C 32 177.793 178.040 -0.247 1
1 301 . 5 1 1 A 32 32 LEU CA C 32 55.851 55.403 0.448 1
1 302 . 5 1 1 A 32 32 LEU CB C 32 41.968 43.122 -1.154 1
1 306 . 5 1 1 A 32 32 LEU N N 32 119.044 117.510 1.534 1
1 307 . 5 1 1 A 33 33 GLY H H 33 8.147 7.892 0.255 1
1 308 . 5 1 1 A 33 33 GLY HA2 H 33 4.210 4.088 0.122 1
1 309 . 5 1 1 A 33 33 GLY HA3 H 33 4.051 4.107 -0.056 1
1 310 . 5 1 1 A 33 33 GLY C C 33 172.971 172.684 0.287 1
1 311 . 5 1 1 A 33 33 GLY CA C 33 44.216 45.283 -1.067 1
1 312 . 5 1 1 A 33 33 GLY N N 33 107.917 108.553 -0.636 1
1 313 . 5 1 1 A 34 34 ARG H H 34 8.671 8.566 0.105 1
1 314 . 5 1 1 A 34 34 ARG HA H 34 4.405 4.486 -0.081 1
1 321 . 5 1 1 A 34 34 ARG C C 34 174.517 175.456 -0.939 1
1 322 . 5 1 1 A 34 34 ARG CA C 34 55.339 56.687 -1.348 1
1 323 . 5 1 1 A 34 34 ARG CB C 34 29.137 30.615 -1.478 1
1 326 . 5 1 1 A 34 34 ARG N N 34 121.152 123.014 -1.862 1
1 327 . 5 1 1 A 35 35 VAL H H 35 7.825 8.676 -0.851 1
1 328 . 5 1 1 A 35 35 VAL HA H 35 3.060 4.276 -1.216 1
1 336 . 5 1 1 A 35 35 VAL C C 35 176.613 175.345 1.268 1
1 337 . 5 1 1 A 35 35 VAL CA C 35 62.505 61.818 0.687 1
1 338 . 5 1 1 A 35 35 VAL CB C 35 32.534 31.915 0.619 1
1 341 . 5 1 1 A 35 35 VAL N N 35 126.379 127.931 -1.552 1
1 342 . 5 1 1 A 36 36 LEU H H 36 8.874 8.549 0.325 1
1 343 . 5 1 1 A 36 36 LEU HA H 36 4.176 3.975 0.201 1
1 353 . 5 1 1 A 36 36 LEU C C 36 177.540 176.788 0.752 1
1 354 . 5 1 1 A 36 36 LEU CA C 36 57.050 57.901 -0.851 1
1 355 . 5 1 1 A 36 36 LEU CB C 36 41.723 42.033 -0.310 1
1 359 . 5 1 1 A 36 36 LEU N N 36 127.956 129.368 -1.412 1
1 360 . 5 1 1 A 37 37 HIS H H 37 7.231 7.283 -0.052 1
1 361 . 5 1 1 A 37 37 HIS HA H 37 4.615 5.045 -0.430 1
1 366 . 5 1 1 A 37 37 HIS C C 37 171.558 171.904 -0.346 1
1 367 . 5 1 1 A 37 37 HIS CA C 37 55.005 54.282 0.723 1
1 368 . 5 1 1 A 37 37 HIS CB C 37 32.039 32.415 -0.376 1
1 371 . 5 1 1 A 37 37 HIS N N 37 112.948 112.466 0.482 1
1 372 . 5 1 1 A 38 38 TYR H H 38 9.836 9.417 0.419 1
1 373 . 5 1 1 A 38 38 TYR HA H 38 5.165 4.947 0.218 1
1 378 . 5 1 1 A 38 38 TYR C C 38 174.934 174.984 -0.050 1
1 379 . 5 1 1 A 38 38 TYR CA C 38 56.698 56.804 -0.106 1
1 380 . 5 1 1 A 38 38 TYR CB C 38 40.251 38.148 2.103 1
1 385 . 5 1 1 A 38 38 TYR N N 38 116.581 119.431 -2.850 1
1 386 . 5 1 1 A 39 39 TRP H H 39 8.984 8.717 0.267 1
1 387 . 5 1 1 A 39 39 TRP HA H 39 5.307 4.767 0.540 1
1 396 . 5 1 1 A 39 39 TRP C C 39 173.996 175.088 -1.092 1
1 397 . 5 1 1 A 39 39 TRP CA C 39 55.798 57.904 -2.106 1
1 398 . 5 1 1 A 39 39 TRP CB C 39 31.998 29.529 2.469 1
1 404 . 5 1 1 A 39 39 TRP N N 39 124.201 128.401 -4.200 1
1 406 . 5 1 1 A 40 40 LEU H H 40 8.695 8.350 0.345 1
1 407 . 5 1 1 A 40 40 LEU HA H 40 5.636 4.894 0.742 1
1 417 . 5 1 1 A 40 40 LEU C C 40 175.416 174.936 0.480 1
1 418 . 5 1 1 A 40 40 LEU CA C 40 54.030 53.474 0.556 1
1 419 . 5 1 1 A 40 40 LEU CB C 40 44.846 44.736 0.110 1
1 423 . 5 1 1 A 40 40 LEU N N 40 132.690 129.815 2.875 1
1 424 . 5 1 1 A 41 41 THR H H 41 9.103 8.616 0.487 1
1 425 . 5 1 1 A 41 41 THR HA H 41 5.341 4.815 0.526 1
1 430 . 5 1 1 A 41 41 THR C C 41 173.042 172.735 0.307 1
1 431 . 5 1 1 A 41 41 THR CA C 41 60.118 60.569 -0.451 1
1 432 . 5 1 1 A 41 41 THR CB C 41 71.493 70.805 0.688 1
1 434 . 5 1 1 A 41 41 THR N N 41 117.923 115.169 2.754 1
1 435 . 5 1 1 A 42 42 TYR H H 42 9.073 8.653 0.420 1
1 436 . 5 1 1 A 42 42 TYR HA H 42 5.915 5.912 0.003 1
1 443 . 5 1 1 A 42 42 TYR C C 42 173.637 174.302 -0.665 1
1 444 . 5 1 1 A 42 42 TYR CA C 42 55.146 55.683 -0.537 1
1 445 . 5 1 1 A 42 42 TYR CB C 42 42.124 41.647 0.477 1
1 450 . 5 1 1 A 42 42 TYR N N 42 118.958 121.540 -2.582 1
1 451 . 5 1 1 A 43 43 ALA H H 43 8.508 8.886 -0.378 1
1 452 . 5 1 1 A 43 43 ALA HA H 43 5.099 4.778 0.321 1
1 456 . 5 1 1 A 43 43 ALA C C 43 173.859 177.127 -3.268 1
1 457 . 5 1 1 A 43 43 ALA CA C 43 50.156 50.589 -0.433 1
1 458 . 5 1 1 A 43 43 ALA CB C 43 21.455 22.247 -0.792 1
1 459 . 5 1 1 A 43 43 ALA N N 43 122.386 121.272 1.114 1
1 460 . 5 1 1 A 44 44 PRO HA H 44 4.079 4.135 -0.056 1
1 467 . 5 1 1 A 44 44 PRO C C 44 178.191 176.529 1.662 1
1 468 . 5 1 1 A 44 44 PRO CA C 44 63.194 63.580 -0.386 1
1 469 . 5 1 1 A 44 44 PRO CB C 44 31.525 31.948 -0.423 1
1 472 . 5 1 1 A 45 45 ALA H H 45 8.934 7.863 1.071 1
1 473 . 5 1 1 A 45 45 ALA HA H 45 3.965 3.932 0.033 1
1 477 . 5 1 1 A 45 45 ALA C C 45 177.272 175.878 1.394 1
1 478 . 5 1 1 A 45 45 ALA CA C 45 53.911 53.086 0.825 1
1 479 . 5 1 1 A 45 45 ALA CB C 45 18.221 17.756 0.465 1
1 480 . 5 1 1 A 45 45 ALA N N 45 129.632 120.536 9.096 1
1 481 . 5 1 1 A 46 46 SER H H 46 8.311 7.701 0.610 1
1 482 . 5 1 1 A 46 46 SER HA H 46 4.193 4.659 -0.466 1
1 485 . 5 1 1 A 46 46 SER C C 46 175.546 173.070 2.476 1
1 486 . 5 1 1 A 46 46 SER CA C 46 58.584 57.303 1.281 1
1 487 . 5 1 1 A 46 46 SER CB C 46 63.543 64.556 -1.013 1
1 488 . 5 1 1 A 46 46 SER N N 46 111.878 111.042 0.836 1
1 489 . 5 1 1 A 47 47 GLY H H 47 7.743 8.907 -1.164 1
1 490 . 5 1 1 A 47 47 GLY HA2 H 47 4.203 3.936 0.267 1
1 491 . 5 1 1 A 47 47 GLY HA3 H 47 3.840 3.937 -0.097 1
1 492 . 5 1 1 A 47 47 GLY C C 47 174.463 173.928 0.535 1
1 493 . 5 1 1 A 47 47 GLY CA C 47 45.501 47.102 -1.601 1
1 494 . 5 1 1 A 47 47 GLY N N 47 108.526 114.400 -5.874 1
1 495 . 5 1 1 A 48 48 LEU H H 48 7.794 8.613 -0.819 1
1 496 . 5 1 1 A 48 48 LEU HA H 48 4.448 4.503 -0.055 1
1 506 . 5 1 1 A 48 48 LEU C C 48 176.668 176.287 0.381 1
1 507 . 5 1 1 A 48 48 LEU CA C 48 54.470 55.794 -1.324 1
1 508 . 5 1 1 A 48 48 LEU CB C 48 41.445 44.347 -2.902 1
1 512 . 5 1 1 A 48 48 LEU N N 48 120.348 122.756 -2.408 1
1 513 . 5 1 1 A 49 49 GLY H H 49 7.889 7.954 -0.065 1
1 514 . 5 1 1 A 49 49 GLY HA2 H 49 4.266 4.092 0.174 1
1 515 . 5 1 1 A 49 49 GLY HA3 H 49 3.965 4.097 -0.132 1
1 516 . 5 1 1 A 49 49 GLY C C 49 170.653 172.772 -2.119 1
1 517 . 5 1 1 A 49 49 GLY CA C 49 44.151 43.918 0.233 1
1 518 . 5 1 1 A 49 49 GLY N N 49 108.892 105.406 3.486 1
1 519 . 5 1 1 A 50 50 PRO HA H 50 4.483 4.531 -0.048 1
1 526 . 5 1 1 A 50 50 PRO C C 50 176.143 175.655 0.488 1
1 527 . 5 1 1 A 50 50 PRO CA C 50 62.639 62.968 -0.329 1
1 528 . 5 1 1 A 50 50 PRO CB C 50 32.575 32.125 0.450 1
1 531 . 5 1 1 A 51 51 GLU H H 51 8.463 8.605 -0.142 1
1 532 . 5 1 1 A 51 51 GLU HA H 51 4.560 4.814 -0.254 1
1 537 . 5 1 1 A 51 51 GLU C C 51 175.792 175.216 0.576 1
1 538 . 5 1 1 A 51 51 GLU CA C 51 55.516 55.476 0.040 1
1 539 . 5 1 1 A 51 51 GLU CB C 51 31.305 32.342 -1.037 1
1 541 . 5 1 1 A 51 51 GLU N N 51 121.175 121.099 0.076 1
1 542 . 5 1 1 A 52 52 LYS H H 52 8.180 7.514 0.666 1
1 543 . 5 1 1 A 52 52 LYS HA H 52 4.511 4.755 -0.244 1
1 552 . 5 1 1 A 52 52 LYS C C 52 174.000 174.837 -0.837 1
1 553 . 5 1 1 A 52 52 LYS CA C 52 54.952 54.206 0.746 1
1 554 . 5 1 1 A 52 52 LYS CB C 52 36.101 35.109 0.992 1
1 558 . 5 1 1 A 52 52 LYS N N 52 125.598 125.173 0.425 1
1 559 . 5 1 1 A 53 53 SER H H 53 8.087 8.388 -0.301 1
1 560 . 5 1 1 A 53 53 SER HA H 53 5.637 4.931 0.706 1
1 563 . 5 1 1 A 53 53 SER C C 53 173.704 172.583 1.121 1
1 564 . 5 1 1 A 53 53 SER CA C 53 56.662 57.213 -0.551 1
1 565 . 5 1 1 A 53 53 SER CB C 53 67.219 65.903 1.316 1
1 566 . 5 1 1 A 53 53 SER N N 53 112.778 113.795 -1.017 1
1 567 . 5 1 1 A 54 54 VAL H H 54 8.940 8.452 0.488 1
1 568 . 5 1 1 A 54 54 VAL HA H 54 4.314 4.895 -0.581 1
1 576 . 5 1 1 A 54 54 VAL C C 54 172.304 174.227 -1.923 1
1 577 . 5 1 1 A 54 54 VAL CA C 54 60.506 59.392 1.114 1
1 578 . 5 1 1 A 54 54 VAL CB C 54 36.121 35.443 0.678 1
1 581 . 5 1 1 A 54 54 VAL N N 54 119.961 119.257 0.704 1
1 582 . 5 1 1 A 55 55 SER H H 55 8.180 8.877 -0.697 1
1 583 . 5 1 1 A 55 55 SER HA H 55 5.461 4.998 0.463 1
1 586 . 5 1 1 A 55 55 SER C C 55 174.870 174.058 0.812 1
1 587 . 5 1 1 A 55 55 SER CA C 55 56.065 58.289 -2.224 1
1 588 . 5 1 1 A 55 55 SER CB C 55 64.094 63.997 0.097 1
1 589 . 5 1 1 A 55 55 SER N N 55 117.963 121.080 -3.117 1
1 590 . 5 1 1 A 56 56 VAL H H 56 9.201 8.704 0.497 1
1 591 . 5 1 1 A 56 56 VAL HA H 56 4.780 4.640 0.140 1
1 599 . 5 1 1 A 56 56 VAL C C 56 173.446 174.171 -0.725 1
1 600 . 5 1 1 A 56 56 VAL CA C 56 58.760 58.959 -0.199 1
1 601 . 5 1 1 A 56 56 VAL CB C 56 35.954 35.653 0.301 1
1 604 . 5 1 1 A 56 56 VAL N N 56 127.863 126.708 1.155 1
1 605 . 5 1 1 A 57 57 PRO HA H 57 4.582 4.728 -0.146 1
1 612 . 5 1 1 A 57 57 PRO C C 57 176.776 178.608 -1.832 1
1 613 . 5 1 1 A 57 57 PRO CA C 57 64.226 63.216 1.010 1
1 614 . 5 1 1 A 57 57 PRO CB C 57 33.063 31.853 1.210 1
1 617 . 5 1 1 A 58 58 GLY H H 58 7.663 8.627 -0.964 1
1 618 . 5 1 1 A 58 58 GLY HA2 H 58 3.684 3.770 -0.086 1
1 619 . 5 1 1 A 58 58 GLY HA3 H 58 3.620 3.840 -0.220 1
1 620 . 5 1 1 A 58 58 GLY C C 58 173.755 175.693 -1.938 1
1 621 . 5 1 1 A 58 58 GLY CA C 58 46.877 47.488 -0.611 1
1 622 . 5 1 1 A 58 58 GLY N N 58 106.964 113.545 -6.581 1
1 623 . 5 1 1 A 59 59 ALA H H 59 7.900 8.214 -0.314 1
1 624 . 5 1 1 A 59 59 ALA HA H 59 4.516 4.074 0.442 1
1 628 . 5 1 1 A 59 59 ALA C C 59 178.104 177.620 0.484 1
1 629 . 5 1 1 A 59 59 ALA CA C 59 52.713 55.105 -2.392 1
1 630 . 5 1 1 A 59 59 ALA CB C 59 19.380 18.895 0.485 1
1 631 . 5 1 1 A 59 59 ALA N N 59 119.932 124.191 -4.259 1
1 632 . 5 1 1 A 60 60 ARG H H 60 8.306 7.925 0.381 1
1 633 . 5 1 1 A 60 60 ARG HA H 60 4.559 4.858 -0.299 1
1 640 . 5 1 1 A 60 60 ARG C C 60 174.842 175.668 -0.826 1
1 641 . 5 1 1 A 60 60 ARG CA C 60 55.357 55.050 0.307 1
1 642 . 5 1 1 A 60 60 ARG CB C 60 32.823 32.426 0.397 1
1 645 . 5 1 1 A 60 60 ARG N N 60 118.739 115.751 2.988 1
1 646 . 5 1 1 A 61 61 SER H H 61 8.229 8.867 -0.638 1
1 647 . 5 1 1 A 61 61 SER HA H 61 3.709 4.388 -0.679 1
1 650 . 5 1 1 A 61 61 SER C C 61 170.973 173.080 -2.107 1
1 651 . 5 1 1 A 61 61 SER CA C 61 56.045 57.386 -1.341 1
1 652 . 5 1 1 A 61 61 SER CB C 61 63.329 63.586 -0.257 1
1 653 . 5 1 1 A 61 61 SER N N 61 110.956 115.112 -4.156 1
1 654 . 5 1 1 A 62 62 HIS H H 62 6.458 7.187 -0.729 1
1 655 . 5 1 1 A 62 62 HIS HA H 62 4.626 4.085 0.541 1
1 660 . 5 1 1 A 62 62 HIS C C 62 173.581 173.215 0.366 1
1 661 . 5 1 1 A 62 62 HIS CA C 62 54.494 53.599 0.895 1
1 662 . 5 1 1 A 62 62 HIS CB C 62 32.485 32.578 -0.093 1
1 665 . 5 1 1 A 62 62 HIS N N 62 113.571 117.286 -3.715 1
1 666 . 5 1 1 A 63 63 VAL H H 63 8.794 8.253 0.541 1
1 667 . 5 1 1 A 63 63 VAL HA H 63 4.325 4.344 -0.019 1
1 675 . 5 1 1 A 63 63 VAL C C 63 171.906 173.865 -1.959 1
1 676 . 5 1 1 A 63 63 VAL CA C 63 61.052 60.404 0.648 1
1 677 . 5 1 1 A 63 63 VAL CB C 63 34.800 34.671 0.129 1
1 680 . 5 1 1 A 63 63 VAL N N 63 118.122 119.136 -1.014 1
1 681 . 5 1 1 A 64 64 THR H H 64 8.316 8.644 -0.328 1
1 682 . 5 1 1 A 64 64 THR HA H 64 4.970 5.005 -0.035 1
1 687 . 5 1 1 A 64 64 THR C C 64 173.412 173.142 0.270 1
1 688 . 5 1 1 A 64 64 THR CA C 64 61.775 61.563 0.212 1
1 689 . 5 1 1 A 64 64 THR CB C 64 69.851 70.628 -0.777 1
1 691 . 5 1 1 A 64 64 THR N N 64 122.871 121.450 1.421 1
1 692 . 5 1 1 A 65 65 LEU H H 65 9.348 8.421 0.927 1
1 693 . 5 1 1 A 65 65 LEU HA H 65 4.584 4.784 -0.200 1
1 703 . 5 1 1 A 65 65 LEU C C 65 173.397 174.725 -1.328 1
1 704 . 5 1 1 A 65 65 LEU CA C 65 50.297 51.163 -0.866 1
1 705 . 5 1 1 A 65 65 LEU CB C 65 41.547 42.627 -1.080 1
1 709 . 5 1 1 A 65 65 LEU N N 65 129.778 125.846 3.932 1
1 710 . 5 1 1 A 66 66 PRO HA H 66 4.868 4.425 0.443 1
1 717 . 5 1 1 A 66 66 PRO C C 66 175.188 176.729 -1.541 1
1 718 . 5 1 1 A 66 66 PRO CA C 66 61.370 62.675 -1.305 1
1 719 . 5 1 1 A 66 66 PRO CB C 66 33.700 32.665 1.035 1
1 722 . 5 1 1 A 67 67 ASP H H 67 8.729 8.942 -0.213 1
1 723 . 5 1 1 A 67 67 ASP HA H 67 4.333 4.190 0.143 1
1 726 . 5 1 1 A 67 67 ASP C C 67 175.824 174.785 1.039 1
1 727 . 5 1 1 A 67 67 ASP CA C 67 55.181 54.921 0.260 1
1 728 . 5 1 1 A 67 67 ASP CB C 67 39.225 39.478 -0.253 1
1 729 . 5 1 1 A 67 67 ASP N N 67 113.984 121.409 -7.425 1
1 730 . 5 1 1 A 68 68 LEU H H 68 8.599 7.500 1.099 1
1 731 . 5 1 1 A 68 68 LEU HA H 68 4.414 4.606 -0.192 1
1 741 . 5 1 1 A 68 68 LEU C C 68 176.487 175.932 0.555 1
1 742 . 5 1 1 A 68 68 LEU CA C 68 53.259 53.077 0.182 1
1 743 . 5 1 1 A 68 68 LEU CB C 68 41.630 43.479 -1.849 1
1 747 . 5 1 1 A 68 68 LEU N N 68 118.102 119.074 -0.972 1
1 748 . 5 1 1 A 69 69 GLN H H 69 8.114 8.592 -0.478 1
1 749 . 5 1 1 A 69 69 GLN HA H 69 4.349 4.835 -0.486 1
1 756 . 5 1 1 A 69 69 GLN C C 69 175.669 174.575 1.094 1
1 757 . 5 1 1 A 69 69 GLN CA C 69 54.722 54.352 0.370 1
1 758 . 5 1 1 A 69 69 GLN CB C 69 30.803 31.583 -0.780 1
1 760 . 5 1 1 A 69 69 GLN N N 69 118.191 118.968 -0.777 1
1 762 . 5 1 1 A 70 70 ALA H H 70 8.240 8.729 -0.489 1
1 763 . 5 1 1 A 70 70 ALA HA H 70 4.835 4.814 0.021 1
1 767 . 5 1 1 A 70 70 ALA C C 70 178.720 177.158 1.562 1
1 768 . 5 1 1 A 70 70 ALA CA C 70 52.501 50.495 2.006 1
1 769 . 5 1 1 A 70 70 ALA CB C 70 20.257 21.193 -0.936 1
1 770 . 5 1 1 A 70 70 ALA N N 70 124.989 121.574 3.415 1
1 771 . 5 1 1 A 71 71 ALA H H 71 8.003 8.192 -0.189 1
1 772 . 5 1 1 A 71 71 ALA HA H 71 3.974 3.862 0.112 1
1 776 . 5 1 1 A 71 71 ALA C C 71 176.118 175.851 0.267 1
1 777 . 5 1 1 A 71 71 ALA CA C 71 52.491 52.983 -0.492 1
1 778 . 5 1 1 A 71 71 ALA CB C 71 18.439 17.625 0.814 1
1 779 . 5 1 1 A 71 71 ALA N N 71 128.133 120.487 7.646 1
1 780 . 5 1 1 A 72 72 THR H H 72 8.391 8.187 0.204 1
1 781 . 5 1 1 A 72 72 THR HA H 72 4.563 4.708 -0.145 1
1 786 . 5 1 1 A 72 72 THR C C 72 172.643 174.160 -1.517 1
1 787 . 5 1 1 A 72 72 THR CA C 72 62.856 61.621 1.235 1
1 788 . 5 1 1 A 72 72 THR CB C 72 71.924 71.434 0.490 1
1 790 . 5 1 1 A 72 72 THR N N 72 114.280 111.306 2.974 1
1 791 . 5 1 1 A 73 73 LYS H H 73 8.691 8.386 0.305 1
1 792 . 5 1 1 A 73 73 LYS HA H 73 4.846 4.663 0.183 1
1 801 . 5 1 1 A 73 73 LYS C C 73 176.405 175.698 0.707 1
1 802 . 5 1 1 A 73 73 LYS CA C 73 55.992 56.043 -0.051 1
1 803 . 5 1 1 A 73 73 LYS CB C 73 33.535 33.036 0.499 1
1 807 . 5 1 1 A 73 73 LYS N N 73 125.989 126.229 -0.240 1
1 808 . 5 1 1 A 74 74 TYR H H 74 9.569 8.717 0.852 1
1 809 . 5 1 1 A 74 74 TYR HA H 74 4.758 5.387 -0.629 1
1 816 . 5 1 1 A 74 74 TYR C C 74 173.567 174.750 -1.183 1
1 817 . 5 1 1 A 74 74 TYR CA C 74 58.778 56.652 2.126 1
1 818 . 5 1 1 A 74 74 TYR CB C 74 42.667 41.537 1.130 1
1 823 . 5 1 1 A 74 74 TYR N N 74 126.436 117.966 8.470 1
1 824 . 5 1 1 A 75 75 ARG H H 75 9.005 8.703 0.302 1
1 825 . 5 1 1 A 75 75 ARG HA H 75 5.053 4.472 0.581 1
1 832 . 5 1 1 A 75 75 ARG C C 75 175.042 174.895 0.147 1
1 833 . 5 1 1 A 75 75 ARG CA C 75 55.027 56.744 -1.717 1
1 834 . 5 1 1 A 75 75 ARG CB C 75 32.284 30.350 1.934 1
1 837 . 5 1 1 A 75 75 ARG N N 75 121.560 125.422 -3.862 1
1 838 . 5 1 1 A 76 76 VAL H H 76 9.127 8.998 0.129 1
1 839 . 5 1 1 A 76 76 VAL HA H 76 4.977 4.544 0.433 1
1 847 . 5 1 1 A 76 76 VAL C C 76 173.144 175.163 -2.019 1
1 848 . 5 1 1 A 76 76 VAL CA C 76 60.876 62.374 -1.498 1
1 849 . 5 1 1 A 76 76 VAL CB C 76 34.922 31.560 3.362 1
1 852 . 5 1 1 A 76 76 VAL N N 76 127.571 127.676 -0.105 1
1 853 . 5 1 1 A 77 77 LEU H H 77 9.083 9.565 -0.482 1
1 854 . 5 1 1 A 77 77 LEU HA H 77 5.350 5.513 -0.163 1
1 864 . 5 1 1 A 77 77 LEU C C 77 176.622 175.647 0.975 1
1 865 . 5 1 1 A 77 77 LEU CA C 77 53.911 53.374 0.537 1
1 866 . 5 1 1 A 77 77 LEU CB C 77 44.959 42.307 2.652 1
1 870 . 5 1 1 A 77 77 LEU N N 77 127.310 129.026 -1.716 1
1 871 . 5 1 1 A 78 78 VAL H H 78 8.918 8.607 0.311 1
1 872 . 5 1 1 A 78 78 VAL HA H 78 4.890 4.515 0.375 1
1 880 . 5 1 1 A 78 78 VAL C C 78 174.235 175.037 -0.802 1
1 881 . 5 1 1 A 78 78 VAL CA C 78 61.193 61.114 0.079 1
1 882 . 5 1 1 A 78 78 VAL CB C 78 34.718 33.222 1.496 1
1 885 . 5 1 1 A 78 78 VAL N N 78 119.228 126.385 -7.157 1
1 886 . 5 1 1 A 79 79 SER H H 79 8.598 8.889 -0.291 1
1 887 . 5 1 1 A 79 79 SER HA H 79 4.725 4.998 -0.273 1
1 890 . 5 1 1 A 79 79 SER C C 79 172.877 172.902 -0.025 1
1 891 . 5 1 1 A 79 79 SER CA C 79 56.680 57.526 -0.846 1
1 892 . 5 1 1 A 79 79 SER CB C 79 65.806 65.920 -0.114 1
1 893 . 5 1 1 A 79 79 SER N N 79 119.664 123.910 -4.246 1
1 894 . 5 1 1 A 80 80 ALA H H 80 8.939 8.190 0.749 1
1 895 . 5 1 1 A 80 80 ALA HA H 80 4.325 4.626 -0.301 1
1 899 . 5 1 1 A 80 80 ALA C C 80 174.050 176.956 -2.906 1
1 900 . 5 1 1 A 80 80 ALA CA C 80 51.126 51.324 -0.198 1
1 901 . 5 1 1 A 80 80 ALA CB C 80 21.990 19.672 2.318 1
1 902 . 5 1 1 A 80 80 ALA N N 80 126.283 127.690 -1.407 1
1 903 . 5 1 1 A 81 81 ILE H H 81 8.424 8.134 0.290 1
1 904 . 5 1 1 A 81 81 ILE HA H 81 4.116 4.645 -0.529 1
1 914 . 5 1 1 A 81 81 ILE C C 81 173.862 173.955 -0.093 1
1 915 . 5 1 1 A 81 81 ILE CA C 81 61.175 60.016 1.159 1
1 916 . 5 1 1 A 81 81 ILE CB C 81 36.015 38.541 -2.526 1
1 920 . 5 1 1 A 81 81 ILE N N 81 123.033 122.627 0.406 1
1 921 . 5 1 1 A 82 82 TYR H H 82 8.377 8.914 -0.537 1
1 922 . 5 1 1 A 82 82 TYR HA H 82 4.681 4.915 -0.234 1
1 929 . 5 1 1 A 82 82 TYR C C 82 176.146 175.969 0.177 1
1 930 . 5 1 1 A 82 82 TYR CA C 82 56.309 56.570 -0.261 1
1 931 . 5 1 1 A 82 82 TYR CB C 82 40.734 42.920 -2.186 1
1 936 . 5 1 1 A 82 82 TYR N N 82 125.168 124.304 0.864 1
1 937 . 5 1 1 A 83 83 ALA H H 83 9.437 9.060 0.377 1
1 938 . 5 1 1 A 83 83 ALA HA H 83 4.059 4.076 -0.017 1
1 942 . 5 1 1 A 83 83 ALA C C 83 179.312 180.017 -0.705 1
1 943 . 5 1 1 A 83 83 ALA CA C 83 55.729 55.623 0.106 1
1 944 . 5 1 1 A 83 83 ALA CB C 83 17.613 18.337 -0.724 1
1 945 . 5 1 1 A 83 83 ALA N N 83 125.234 124.941 0.293 1
1 946 . 5 1 1 A 84 84 ALA H H 84 7.823 7.961 -0.138 1
1 947 . 5 1 1 A 84 84 ALA HA H 84 4.434 4.095 0.339 1
1 951 . 5 1 1 A 84 84 ALA C C 84 176.808 177.648 -0.840 1
1 952 . 5 1 1 A 84 84 ALA CA C 84 51.936 54.897 -2.961 1
1 953 . 5 1 1 A 84 84 ALA CB C 84 19.514 19.774 -0.260 1
1 954 . 5 1 1 A 84 84 ALA N N 84 114.587 119.856 -5.269 1
1 955 . 5 1 1 A 85 85 GLY H H 85 7.366 7.506 -0.140 1
1 956 . 5 1 1 A 85 85 GLY HA2 H 85 4.362 4.019 0.343 1
1 957 . 5 1 1 A 85 85 GLY HA3 H 85 3.835 4.034 -0.199 1
1 958 . 5 1 1 A 85 85 GLY C C 85 171.544 171.803 -0.259 1
1 959 . 5 1 1 A 85 85 GLY CA C 85 44.576 46.205 -1.629 1
1 960 . 5 1 1 A 85 85 GLY N N 85 105.342 102.292 3.050 1
1 961 . 5 1 1 A 86 86 ARG H H 86 8.626 8.594 0.032 1
1 962 . 5 1 1 A 86 86 ARG HA H 86 5.263 5.420 -0.157 1
1 969 . 5 1 1 A 86 86 ARG C C 86 176.925 175.638 1.287 1
1 970 . 5 1 1 A 86 86 ARG CA C 86 54.863 54.343 0.520 1
1 971 . 5 1 1 A 86 86 ARG CB C 86 33.491 33.847 -0.356 1
1 974 . 5 1 1 A 86 86 ARG N N 86 118.147 118.559 -0.412 1
1 975 . 5 1 1 A 87 87 SER H H 87 9.496 9.254 0.242 1
1 976 . 5 1 1 A 87 87 SER HA H 87 4.747 4.668 0.079 1
1 979 . 5 1 1 A 87 87 SER C C 87 174.538 174.440 0.098 1
1 980 . 5 1 1 A 87 87 SER CA C 87 58.284 57.977 0.307 1
1 981 . 5 1 1 A 87 87 SER CB C 87 67.271 65.492 1.779 1
1 982 . 5 1 1 A 87 87 SER N N 87 119.835 114.345 5.490 1
1 983 . 5 1 1 A 88 88 GLU H H 88 9.058 8.565 0.493 1
1 984 . 5 1 1 A 88 88 GLU HA H 88 4.342 4.224 0.118 1
1 989 . 5 1 1 A 88 88 GLU C C 88 176.157 175.685 0.472 1
1 990 . 5 1 1 A 88 88 GLU CA C 88 56.874 55.792 1.082 1
1 991 . 5 1 1 A 88 88 GLU CB C 88 30.350 30.201 0.149 1
1 993 . 5 1 1 A 88 88 GLU N N 88 119.700 120.148 -0.448 1
1 994 . 5 1 1 A 89 89 ALA H H 89 8.674 8.506 0.168 1
1 995 . 5 1 1 A 89 89 ALA HA H 89 4.918 5.235 -0.317 1
1 999 . 5 1 1 A 89 89 ALA C C 89 178.887 176.251 2.636 1
1 1000 . 5 1 1 A 89 89 ALA CA C 89 51.340 50.399 0.941 1
1 1001 . 5 1 1 A 89 89 ALA CB C 89 20.130 21.933 -1.803 1
1 1002 . 5 1 1 A 89 89 ALA N N 89 125.485 122.025 3.460 1
1 1003 . 5 1 1 A 90 90 VAL H H 90 8.621 8.592 0.029 1
1 1004 . 5 1 1 A 90 90 VAL HA H 90 4.562 4.881 -0.319 1
1 1012 . 5 1 1 A 90 90 VAL C C 90 174.251 175.485 -1.234 1
1 1013 . 5 1 1 A 90 90 VAL CA C 90 60.365 60.432 -0.067 1
1 1014 . 5 1 1 A 90 90 VAL CB C 90 33.770 33.815 -0.045 1
1 1017 . 5 1 1 A 90 90 VAL N N 90 119.440 118.508 0.932 1
1 1018 . 5 1 1 A 91 91 SER H H 91 8.373 8.902 -0.529 1
1 1019 . 5 1 1 A 91 91 SER HA H 91 5.877 5.032 0.845 1
1 1022 . 5 1 1 A 91 91 SER C C 91 174.245 173.715 0.530 1
1 1023 . 5 1 1 A 91 91 SER CA C 91 56.109 57.066 -0.957 1
1 1024 . 5 1 1 A 91 91 SER CB C 91 67.620 65.049 2.571 1
1 1025 . 5 1 1 A 91 91 SER N N 91 116.084 120.712 -4.628 1
1 1026 . 5 1 1 A 92 92 ALA H H 92 8.900 8.744 0.156 1
1 1027 . 5 1 1 A 92 92 ALA HA H 92 4.681 4.856 -0.175 1
1 1031 . 5 1 1 A 92 92 ALA C C 92 175.187 176.366 -1.179 1
1 1032 . 5 1 1 A 92 92 ALA CA C 92 51.990 52.066 -0.076 1
1 1033 . 5 1 1 A 92 92 ALA CB C 92 23.056 21.321 1.735 1
1 1034 . 5 1 1 A 92 92 ALA N N 92 123.885 121.914 1.971 1
1 1035 . 5 1 1 A 93 93 THR H H 93 8.466 8.635 -0.169 1
1 1036 . 5 1 1 A 93 93 THR HA H 93 5.623 5.080 0.543 1
1 1041 . 5 1 1 A 93 93 THR C C 93 174.366 174.429 -0.063 1
1 1042 . 5 1 1 A 93 93 THR CA C 93 60.154 60.688 -0.534 1
1 1043 . 5 1 1 A 93 93 THR CB C 93 71.657 70.126 1.531 1
1 1045 . 5 1 1 A 93 93 THR N N 93 112.591 115.604 -3.013 1
1 1046 . 5 1 1 A 94 94 GLY H H 94 8.657 8.870 -0.213 1
1 1047 . 5 1 1 A 94 94 GLY HA2 H 94 4.483 4.262 0.221 1
1 1048 . 5 1 1 A 94 94 GLY HA3 H 94 3.625 4.276 -0.651 1
1 1049 . 5 1 1 A 94 94 GLY C C 94 170.518 173.401 -2.883 1
1 1050 . 5 1 1 A 94 94 GLY CA C 94 44.849 44.843 0.006 1
1 1051 . 5 1 1 A 94 94 GLY N N 94 111.375 110.274 1.101 1
1 1052 . 5 1 1 A 95 95 GLN H H 95 8.667 8.636 0.031 1
1 1053 . 5 1 1 A 95 95 GLN HA H 95 5.491 4.252 1.239 1
1 1060 . 5 1 1 A 95 95 GLN C C 95 176.226 175.255 0.971 1
1 1061 . 5 1 1 A 95 95 GLN CA C 95 54.000 56.512 -2.512 1
1 1062 . 5 1 1 A 95 95 GLN CB C 95 32.822 29.306 3.516 1
1 1064 . 5 1 1 A 95 95 GLN N N 95 120.893 125.965 -5.072 1
1 1066 . 5 1 1 A 96 96 THR H H 96 8.609 8.574 0.035 1
1 1067 . 5 1 1 A 96 96 THR HA H 96 4.384 4.578 -0.194 1
1 1072 . 5 1 1 A 96 96 THR C C 96 175.194 174.417 0.777 1
1 1073 . 5 1 1 A 96 96 THR CA C 96 60.783 61.424 -0.641 1
1 1074 . 5 1 1 A 96 96 THR CB C 96 70.198 71.357 -1.159 1
1 1076 . 5 1 1 A 96 96 THR N N 96 115.777 116.260 -0.483 1
1 1077 . 5 1 1 A 97 97 ALA H H 97 8.009 8.291 -0.282 1
1 1078 . 5 1 1 A 97 97 ALA HA H 97 4.186 4.497 -0.311 1
1 1082 . 5 1 1 A 97 97 ALA C C 97 176.174 177.214 -1.040 1
1 1083 . 5 1 1 A 97 97 ALA CA C 97 52.077 51.730 0.347 1
1 1084 . 5 1 1 A 97 97 ALA CB C 97 19.001 19.471 -0.470 1
1 1085 . 5 1 1 A 97 97 ALA N N 97 120.015 123.085 -3.070 1
1 1086 . 5 1 1 A 98 98 CYS H H 98 8.239 8.604 -0.365 1
1 1087 . 5 1 1 A 98 98 CYS HA H 98 4.705 4.869 -0.164 1
1 1090 . 5 1 1 A 98 98 CYS C C 98 173.203 173.296 -0.093 1
1 1091 . 5 1 1 A 98 98 CYS CA C 98 56.644 57.714 -1.070 1
1 1092 . 5 1 1 A 98 98 CYS CB C 98 27.357 27.415 -0.058 1
1 1093 . 5 1 1 A 98 98 CYS N N 98 116.874 120.683 -3.809 1
1 1094 . 5 1 1 A 99 99 PRO HA H 99 4.421 4.722 -0.301 1
1 1101 . 5 1 1 A 99 99 PRO CA C 99 63.337 62.541 0.796 1
1 1102 . 5 1 1 A 99 99 PRO CB C 99 32.132 31.523 0.609 1
1 1105 . 5 1 1 A 100 100 SER H H 100 8.463 8.834 -0.371 1
1 1106 . 5 1 1 A 100 100 SER HA H 100 4.470 4.505 -0.035 1
1 1109 . 5 1 1 A 100 100 SER CA C 100 58.453 59.349 -0.896 1
1 1110 . 5 1 1 A 100 100 SER CB C 100 64.023 64.699 -0.676 1
1 1111 . 5 1 1 A 100 100 SER N N 100 116.426 119.033 -2.607 1
1 1112 . 5 1 1 A 101 101 GLY H H 101 8.237 7.314 0.923 1
1 1113 . 5 1 1 A 101 101 GLY HA2 H 101 4.165 4.047 0.118 1
1 1114 . 5 1 1 A 101 101 GLY HA3 H 101 4.100 4.047 0.053 1
1 1115 . 5 1 1 A 101 101 GLY CA C 101 44.647 44.534 0.113 1
1 1116 . 5 1 1 A 101 101 GLY N N 101 110.731 106.845 3.886 1
1 1117 . 5 1 1 A 102 102 PRO HA H 102 4.484 4.545 -0.061 1
1 1123 . 5 1 1 A 102 102 PRO CA C 102 63.069 63.445 -0.376 1
1 1124 . 5 1 1 A 102 102 PRO CB C 102 32.189 31.982 0.207 1
1 1127 . 5 1 1 A 103 103 SER H H 103 8.540 7.690 0.850 1
1 1 . 6 1 1 A 5 5 SER N N 5 119.122 115.399 3.723 1
1 2 . 6 1 1 A 6 6 SER N N 6 123.945 123.012 0.933 1
1 3 . 6 1 1 A 7 7 GLY HA2 H 7 3.813 3.943 -0.130 1
1 4 . 6 1 1 A 7 7 GLY HA3 H 7 3.813 3.951 -0.138 1
1 5 . 6 1 1 A 7 7 GLY CA C 7 45.375 44.585 0.790 1
1 6 . 6 1 1 A 8 8 ARG H H 8 7.999 8.476 -0.477 1
1 7 . 6 1 1 A 8 8 ARG HA H 8 3.712 4.325 -0.613 1
1 14 . 6 1 1 A 8 8 ARG CA C 8 54.185 54.334 -0.149 1
1 15 . 6 1 1 A 8 8 ARG CB C 8 29.555 33.202 -3.647 1
1 18 . 6 1 1 A 8 8 ARG N N 8 121.209 120.459 0.750 1
1 19 . 6 1 1 A 9 9 SER H H 9 7.810 8.658 -0.848 1
1 20 . 6 1 1 A 9 9 SER HA H 9 4.725 5.032 -0.307 1
1 23 . 6 1 1 A 9 9 SER CA C 9 58.455 55.533 2.922 1
1 24 . 6 1 1 A 9 9 SER CB C 9 62.966 65.864 -2.898 1
1 25 . 6 1 1 A 9 9 SER N N 9 118.072 117.948 0.124 1
1 26 . 6 1 1 A 10 10 PRO HA H 10 5.182 4.965 0.217 1
1 33 . 6 1 1 A 10 10 PRO CA C 10 61.759 61.384 0.375 1
1 34 . 6 1 1 A 10 10 PRO CB C 10 30.280 31.662 -1.382 1
1 37 . 6 1 1 A 11 11 PRO HA H 11 4.567 4.658 -0.091 1
1 44 . 6 1 1 A 11 11 PRO C C 11 173.556 175.940 -2.384 1
1 45 . 6 1 1 A 11 11 PRO CA C 11 62.674 62.602 0.072 1
1 46 . 6 1 1 A 11 11 PRO CB C 11 33.026 31.517 1.509 1
1 49 . 6 1 1 A 12 12 SER H H 12 8.427 8.659 -0.232 1
1 50 . 6 1 1 A 12 12 SER HA H 12 4.890 4.958 -0.068 1
1 53 . 6 1 1 A 12 12 SER C C 12 173.115 173.724 -0.609 1
1 54 . 6 1 1 A 12 12 SER CA C 12 56.556 57.182 -0.626 1
1 55 . 6 1 1 A 12 12 SER CB C 12 66.882 66.360 0.522 1
1 56 . 6 1 1 A 12 12 SER N N 12 111.345 117.958 -6.613 1
1 57 . 6 1 1 A 13 13 ASN H H 13 8.973 8.779 0.194 1
1 58 . 6 1 1 A 13 13 ASN HA H 13 4.318 4.255 0.063 1
1 63 . 6 1 1 A 13 13 ASN C C 13 173.850 174.684 -0.834 1
1 64 . 6 1 1 A 13 13 ASN CA C 13 53.928 54.191 -0.263 1
1 65 . 6 1 1 A 13 13 ASN CB C 13 37.365 36.942 0.423 1
1 66 . 6 1 1 A 13 13 ASN N N 13 115.970 116.828 -0.858 1
1 68 . 6 1 1 A 14 14 LEU H H 14 8.223 8.128 0.095 1
1 69 . 6 1 1 A 14 14 LEU HA H 14 4.857 4.353 0.504 1
1 79 . 6 1 1 A 14 14 LEU C C 14 176.725 176.829 -0.104 1
1 80 . 6 1 1 A 14 14 LEU CA C 14 56.115 56.214 -0.099 1
1 81 . 6 1 1 A 14 14 LEU CB C 14 42.621 41.985 0.636 1
1 85 . 6 1 1 A 14 14 LEU N N 14 119.681 119.957 -0.276 1
1 86 . 6 1 1 A 15 15 ALA H H 15 9.364 8.310 1.054 1
1 87 . 6 1 1 A 15 15 ALA HA H 15 4.736 4.999 -0.263 1
1 91 . 6 1 1 A 15 15 ALA C C 15 175.056 175.633 -0.577 1
1 92 . 6 1 1 A 15 15 ALA CA C 15 51.496 50.927 0.569 1
1 93 . 6 1 1 A 15 15 ALA CB C 15 22.285 20.443 1.842 1
1 94 . 6 1 1 A 15 15 ALA N N 15 130.359 125.897 4.462 1
1 95 . 6 1 1 A 16 16 LEU H H 16 8.448 9.014 -0.566 1
1 96 . 6 1 1 A 16 16 LEU HA H 16 5.385 4.853 0.532 1
1 106 . 6 1 1 A 16 16 LEU C C 16 175.868 175.829 0.039 1
1 107 . 6 1 1 A 16 16 LEU CA C 16 53.224 54.145 -0.921 1
1 108 . 6 1 1 A 16 16 LEU CB C 16 45.061 41.532 3.529 1
1 112 . 6 1 1 A 16 16 LEU N N 16 120.470 124.387 -3.917 1
1 113 . 6 1 1 A 17 17 ALA H H 17 8.737 9.352 -0.615 1
1 114 . 6 1 1 A 17 17 ALA HA H 17 4.620 5.348 -0.728 1
1 118 . 6 1 1 A 17 17 ALA C C 17 175.371 175.155 0.216 1
1 119 . 6 1 1 A 17 17 ALA CA C 17 51.249 50.024 1.225 1
1 120 . 6 1 1 A 17 17 ALA CB C 17 22.570 22.039 0.531 1
1 121 . 6 1 1 A 17 17 ALA N N 17 124.938 128.769 -3.831 1
1 122 . 6 1 1 A 18 18 SER H H 18 8.675 8.870 -0.195 1
1 123 . 6 1 1 A 18 18 SER HA H 18 5.021 4.905 0.116 1
1 126 . 6 1 1 A 18 18 SER C C 18 174.678 173.671 1.007 1
1 127 . 6 1 1 A 18 18 SER CA C 18 57.244 56.475 0.769 1
1 128 . 6 1 1 A 18 18 SER CB C 18 64.200 64.042 0.158 1
1 129 . 6 1 1 A 18 18 SER N N 18 113.933 117.487 -3.554 1
1 130 . 6 1 1 A 19 19 GLU H H 19 9.743 8.798 0.945 1
1 131 . 6 1 1 A 19 19 GLU HA H 19 4.466 4.611 -0.145 1
1 136 . 6 1 1 A 19 19 GLU C C 19 176.368 176.306 0.062 1
1 137 . 6 1 1 A 19 19 GLU CA C 19 56.295 57.398 -1.103 1
1 138 . 6 1 1 A 19 19 GLU CB C 19 31.532 32.077 -0.545 1
1 140 . 6 1 1 A 19 19 GLU N N 19 127.234 125.516 1.718 1
1 141 . 6 1 1 A 20 20 THR H H 20 7.759 7.720 0.039 1
1 142 . 6 1 1 A 20 20 THR HA H 20 4.935 4.758 0.177 1
1 147 . 6 1 1 A 20 20 THR C C 20 171.770 173.959 -2.189 1
1 148 . 6 1 1 A 20 20 THR CA C 20 58.337 58.106 0.231 1
1 149 . 6 1 1 A 20 20 THR CB C 20 69.869 71.523 -1.654 1
1 151 . 6 1 1 A 20 20 THR N N 20 109.600 111.482 -1.882 1
1 152 . 6 1 1 A 21 21 PRO HA H 21 4.587 4.523 0.064 1
1 159 . 6 1 1 A 21 21 PRO C C 21 173.647 176.598 -2.951 1
1 160 . 6 1 1 A 21 21 PRO CA C 21 64.332 64.117 0.215 1
1 161 . 6 1 1 A 21 21 PRO CB C 21 32.380 31.471 0.909 1
1 164 . 6 1 1 A 22 22 ASP H H 22 7.420 8.158 -0.738 1
1 165 . 6 1 1 A 22 22 ASP HA H 22 4.648 5.181 -0.533 1
1 168 . 6 1 1 A 22 22 ASP C C 22 175.838 175.090 0.748 1
1 169 . 6 1 1 A 22 22 ASP CA C 22 51.037 53.588 -2.551 1
1 170 . 6 1 1 A 22 22 ASP CB C 22 42.177 41.512 0.665 1
1 171 . 6 1 1 A 22 22 ASP N N 22 107.201 117.885 -10.684 1
1 172 . 6 1 1 A 23 23 SER H H 23 7.729 7.610 0.119 1
1 173 . 6 1 1 A 23 23 SER HA H 23 5.474 5.133 0.341 1
1 176 . 6 1 1 A 23 23 SER C C 23 171.887 172.284 -0.397 1
1 177 . 6 1 1 A 23 23 SER CA C 23 57.481 57.491 -0.010 1
1 178 . 6 1 1 A 23 23 SER CB C 23 68.168 66.907 1.261 1
1 179 . 6 1 1 A 23 23 SER N N 23 112.046 113.122 -1.076 1
1 180 . 6 1 1 A 24 24 LEU H H 24 7.884 8.255 -0.371 1
1 181 . 6 1 1 A 24 24 LEU HA H 24 4.769 4.716 0.053 1
1 191 . 6 1 1 A 24 24 LEU C C 24 174.542 174.687 -0.145 1
1 192 . 6 1 1 A 24 24 LEU CA C 24 53.576 54.146 -0.570 1
1 193 . 6 1 1 A 24 24 LEU CB C 24 47.616 45.335 2.281 1
1 197 . 6 1 1 A 24 24 LEU N N 24 119.324 123.788 -4.464 1
1 198 . 6 1 1 A 25 25 GLN H H 25 9.356 9.024 0.332 1
1 199 . 6 1 1 A 25 25 GLN HA H 25 4.747 4.443 0.304 1
1 206 . 6 1 1 A 25 25 GLN C C 25 174.824 174.761 0.063 1
1 207 . 6 1 1 A 25 25 GLN CA C 25 55.533 56.366 -0.833 1
1 208 . 6 1 1 A 25 25 GLN CB C 25 29.759 29.715 0.044 1
1 210 . 6 1 1 A 25 25 GLN N N 25 124.019 127.655 -3.636 1
1 212 . 6 1 1 A 26 26 VAL H H 26 9.020 8.754 0.266 1
1 213 . 6 1 1 A 26 26 VAL HA H 26 4.824 4.792 0.032 1
1 221 . 6 1 1 A 26 26 VAL C C 26 174.556 173.684 0.872 1
1 222 . 6 1 1 A 26 26 VAL CA C 26 60.629 60.307 0.322 1
1 223 . 6 1 1 A 26 26 VAL CB C 26 33.355 35.185 -1.830 1
1 226 . 6 1 1 A 26 26 VAL N N 26 127.649 124.950 2.699 1
1 227 . 6 1 1 A 27 27 SER H H 27 9.056 8.510 0.546 1
1 228 . 6 1 1 A 27 27 SER HA H 27 4.857 5.050 -0.193 1
1 231 . 6 1 1 A 27 27 SER C C 27 172.328 173.093 -0.765 1
1 232 . 6 1 1 A 27 27 SER CA C 27 57.138 56.644 0.494 1
1 233 . 6 1 1 A 27 27 SER CB C 27 66.864 66.648 0.216 1
1 234 . 6 1 1 A 27 27 SER N N 27 119.826 125.443 -5.617 1
1 235 . 6 1 1 A 28 28 TRP H H 28 7.584 7.849 -0.265 1
1 236 . 6 1 1 A 28 28 TRP HA H 28 5.022 5.295 -0.273 1
1 245 . 6 1 1 A 28 28 TRP C C 28 174.055 172.588 1.467 1
1 246 . 6 1 1 A 28 28 TRP CA C 28 56.609 55.533 1.076 1
1 247 . 6 1 1 A 28 28 TRP CB C 28 29.814 31.203 -1.389 1
1 253 . 6 1 1 A 28 28 TRP N N 28 115.280 119.978 -4.698 1
1 255 . 6 1 1 A 29 29 THR H H 29 9.293 8.795 0.498 1
1 256 . 6 1 1 A 29 29 THR HA H 29 4.865 4.734 0.131 1
1 261 . 6 1 1 A 29 29 THR C C 29 173.203 173.268 -0.065 1
1 262 . 6 1 1 A 29 29 THR CA C 29 59.889 59.186 0.703 1
1 263 . 6 1 1 A 29 29 THR CB C 29 69.774 69.974 -0.200 1
1 265 . 6 1 1 A 29 29 THR N N 29 117.164 115.127 2.037 1
1 266 . 6 1 1 A 30 30 PRO HA H 30 4.809 4.811 -0.002 1
1 273 . 6 1 1 A 30 30 PRO CA C 30 61.701 61.740 -0.039 1
1 274 . 6 1 1 A 30 30 PRO CB C 30 32.114 32.035 0.079 1
1 277 . 6 1 1 A 31 31 PRO HA H 31 4.703 4.724 -0.021 1
1 284 . 6 1 1 A 31 31 PRO C C 31 175.384 176.339 -0.955 1
1 285 . 6 1 1 A 31 31 PRO CA C 31 61.793 62.364 -0.571 1
1 286 . 6 1 1 A 31 31 PRO CB C 31 32.822 33.436 -0.614 1
1 289 . 6 1 1 A 32 32 LEU H H 32 8.312 8.134 0.178 1
1 290 . 6 1 1 A 32 32 LEU HA H 32 4.333 4.391 -0.058 1
1 300 . 6 1 1 A 32 32 LEU C C 32 177.793 177.963 -0.170 1
1 301 . 6 1 1 A 32 32 LEU CA C 32 55.851 55.770 0.081 1
1 302 . 6 1 1 A 32 32 LEU CB C 32 41.968 42.906 -0.938 1
1 306 . 6 1 1 A 32 32 LEU N N 32 119.044 117.672 1.372 1
1 307 . 6 1 1 A 33 33 GLY H H 33 8.147 7.863 0.284 1
1 308 . 6 1 1 A 33 33 GLY HA2 H 33 4.210 4.071 0.139 1
1 309 . 6 1 1 A 33 33 GLY HA3 H 33 4.051 4.072 -0.021 1
1 310 . 6 1 1 A 33 33 GLY C C 33 172.971 172.768 0.203 1
1 311 . 6 1 1 A 33 33 GLY CA C 33 44.216 45.293 -1.077 1
1 312 . 6 1 1 A 33 33 GLY N N 33 107.917 108.566 -0.649 1
1 313 . 6 1 1 A 34 34 ARG H H 34 8.671 8.586 0.085 1
1 314 . 6 1 1 A 34 34 ARG HA H 34 4.405 4.526 -0.121 1
1 321 . 6 1 1 A 34 34 ARG C C 34 174.517 175.251 -0.734 1
1 322 . 6 1 1 A 34 34 ARG CA C 34 55.339 56.631 -1.292 1
1 323 . 6 1 1 A 34 34 ARG CB C 34 29.137 30.655 -1.518 1
1 326 . 6 1 1 A 34 34 ARG N N 34 121.152 123.323 -2.171 1
1 327 . 6 1 1 A 35 35 VAL H H 35 7.825 8.860 -1.035 1
1 328 . 6 1 1 A 35 35 VAL HA H 35 3.060 3.998 -0.938 1
1 336 . 6 1 1 A 35 35 VAL C C 35 176.613 175.182 1.431 1
1 337 . 6 1 1 A 35 35 VAL CA C 35 62.505 62.189 0.316 1
1 338 . 6 1 1 A 35 35 VAL CB C 35 32.534 32.201 0.333 1
1 341 . 6 1 1 A 35 35 VAL N N 35 126.379 127.920 -1.541 1
1 342 . 6 1 1 A 36 36 LEU H H 36 8.874 8.167 0.707 1
1 343 . 6 1 1 A 36 36 LEU HA H 36 4.176 4.079 0.097 1
1 353 . 6 1 1 A 36 36 LEU C C 36 177.540 176.857 0.683 1
1 354 . 6 1 1 A 36 36 LEU CA C 36 57.050 57.793 -0.743 1
1 355 . 6 1 1 A 36 36 LEU CB C 36 41.723 42.417 -0.694 1
1 359 . 6 1 1 A 36 36 LEU N N 36 127.956 128.822 -0.866 1
1 360 . 6 1 1 A 37 37 HIS H H 37 7.231 7.554 -0.323 1
1 361 . 6 1 1 A 37 37 HIS HA H 37 4.615 5.093 -0.478 1
1 366 . 6 1 1 A 37 37 HIS C C 37 171.558 172.152 -0.594 1
1 367 . 6 1 1 A 37 37 HIS CA C 37 55.005 53.577 1.428 1
1 368 . 6 1 1 A 37 37 HIS CB C 37 32.039 33.627 -1.588 1
1 371 . 6 1 1 A 37 37 HIS N N 37 112.948 112.135 0.813 1
1 372 . 6 1 1 A 38 38 TYR H H 38 9.836 9.368 0.468 1
1 373 . 6 1 1 A 38 38 TYR HA H 38 5.165 4.907 0.258 1
1 378 . 6 1 1 A 38 38 TYR C C 38 174.934 174.803 0.131 1
1 379 . 6 1 1 A 38 38 TYR CA C 38 56.698 56.774 -0.076 1
1 380 . 6 1 1 A 38 38 TYR CB C 38 40.251 38.300 1.951 1
1 385 . 6 1 1 A 38 38 TYR N N 38 116.581 119.393 -2.812 1
1 386 . 6 1 1 A 39 39 TRP H H 39 8.984 8.644 0.340 1
1 387 . 6 1 1 A 39 39 TRP HA H 39 5.307 4.951 0.356 1
1 396 . 6 1 1 A 39 39 TRP C C 39 173.996 175.124 -1.128 1
1 397 . 6 1 1 A 39 39 TRP CA C 39 55.798 56.373 -0.575 1
1 398 . 6 1 1 A 39 39 TRP CB C 39 31.998 29.263 2.735 1
1 404 . 6 1 1 A 39 39 TRP N N 39 124.201 128.305 -4.104 1
1 406 . 6 1 1 A 40 40 LEU H H 40 8.695 8.387 0.308 1
1 407 . 6 1 1 A 40 40 LEU HA H 40 5.636 4.767 0.869 1
1 417 . 6 1 1 A 40 40 LEU C C 40 175.416 175.254 0.162 1
1 418 . 6 1 1 A 40 40 LEU CA C 40 54.030 53.772 0.258 1
1 419 . 6 1 1 A 40 40 LEU CB C 40 44.846 44.559 0.287 1
1 423 . 6 1 1 A 40 40 LEU N N 40 132.690 129.786 2.904 1
1 424 . 6 1 1 A 41 41 THR H H 41 9.103 9.187 -0.084 1
1 425 . 6 1 1 A 41 41 THR HA H 41 5.341 4.965 0.376 1
1 430 . 6 1 1 A 41 41 THR C C 41 173.042 173.006 0.036 1
1 431 . 6 1 1 A 41 41 THR CA C 41 60.118 60.343 -0.225 1
1 432 . 6 1 1 A 41 41 THR CB C 41 71.493 70.675 0.818 1
1 434 . 6 1 1 A 41 41 THR N N 41 117.923 117.084 0.839 1
1 435 . 6 1 1 A 42 42 TYR H H 42 9.073 8.825 0.248 1
1 436 . 6 1 1 A 42 42 TYR HA H 42 5.915 5.851 0.064 1
1 443 . 6 1 1 A 42 42 TYR C C 42 173.637 174.214 -0.577 1
1 444 . 6 1 1 A 42 42 TYR CA C 42 55.146 55.531 -0.385 1
1 445 . 6 1 1 A 42 42 TYR CB C 42 42.124 41.767 0.357 1
1 450 . 6 1 1 A 42 42 TYR N N 42 118.958 121.600 -2.642 1
1 451 . 6 1 1 A 43 43 ALA H H 43 8.508 8.912 -0.404 1
1 452 . 6 1 1 A 43 43 ALA HA H 43 5.099 4.539 0.560 1
1 456 . 6 1 1 A 43 43 ALA C C 43 173.859 176.902 -3.043 1
1 457 . 6 1 1 A 43 43 ALA CA C 43 50.156 50.504 -0.348 1
1 458 . 6 1 1 A 43 43 ALA CB C 43 21.455 22.166 -0.711 1
1 459 . 6 1 1 A 43 43 ALA N N 43 122.386 121.211 1.175 1
1 460 . 6 1 1 A 44 44 PRO HA H 44 4.079 3.961 0.118 1
1 467 . 6 1 1 A 44 44 PRO C C 44 178.191 176.426 1.765 1
1 468 . 6 1 1 A 44 44 PRO CA C 44 63.194 63.465 -0.271 1
1 469 . 6 1 1 A 44 44 PRO CB C 44 31.525 31.885 -0.360 1
1 472 . 6 1 1 A 45 45 ALA H H 45 8.934 7.816 1.118 1
1 473 . 6 1 1 A 45 45 ALA HA H 45 3.965 3.901 0.064 1
1 477 . 6 1 1 A 45 45 ALA C C 45 177.272 175.722 1.550 1
1 478 . 6 1 1 A 45 45 ALA CA C 45 53.911 53.195 0.716 1
1 479 . 6 1 1 A 45 45 ALA CB C 45 18.221 17.755 0.466 1
1 480 . 6 1 1 A 45 45 ALA N N 45 129.632 120.314 9.318 1
1 481 . 6 1 1 A 46 46 SER H H 46 8.311 7.672 0.639 1
1 482 . 6 1 1 A 46 46 SER HA H 46 4.193 4.621 -0.428 1
1 485 . 6 1 1 A 46 46 SER C C 46 175.546 173.170 2.376 1
1 486 . 6 1 1 A 46 46 SER CA C 46 58.584 57.230 1.354 1
1 487 . 6 1 1 A 46 46 SER CB C 46 63.543 64.456 -0.913 1
1 488 . 6 1 1 A 46 46 SER N N 46 111.878 110.816 1.062 1
1 489 . 6 1 1 A 47 47 GLY H H 47 7.743 8.903 -1.160 1
1 490 . 6 1 1 A 47 47 GLY HA2 H 47 4.203 3.875 0.328 1
1 491 . 6 1 1 A 47 47 GLY HA3 H 47 3.840 3.880 -0.040 1
1 492 . 6 1 1 A 47 47 GLY C C 47 174.463 174.053 0.410 1
1 493 . 6 1 1 A 47 47 GLY CA C 47 45.501 47.285 -1.784 1
1 494 . 6 1 1 A 47 47 GLY N N 47 108.526 114.223 -5.697 1
1 495 . 6 1 1 A 48 48 LEU H H 48 7.794 9.002 -1.208 1
1 496 . 6 1 1 A 48 48 LEU HA H 48 4.448 4.436 0.012 1
1 506 . 6 1 1 A 48 48 LEU C C 48 176.668 176.714 -0.046 1
1 507 . 6 1 1 A 48 48 LEU CA C 48 54.470 55.755 -1.285 1
1 508 . 6 1 1 A 48 48 LEU CB C 48 41.445 43.946 -2.501 1
1 512 . 6 1 1 A 48 48 LEU N N 48 120.348 120.868 -0.520 1
1 513 . 6 1 1 A 49 49 GLY H H 49 7.889 7.903 -0.014 1
1 514 . 6 1 1 A 49 49 GLY HA2 H 49 4.266 4.113 0.153 1
1 515 . 6 1 1 A 49 49 GLY HA3 H 49 3.965 4.115 -0.150 1
1 516 . 6 1 1 A 49 49 GLY C C 49 170.653 172.401 -1.748 1
1 517 . 6 1 1 A 49 49 GLY CA C 49 44.151 44.199 -0.048 1
1 518 . 6 1 1 A 49 49 GLY N N 49 108.892 104.355 4.537 1
1 519 . 6 1 1 A 50 50 PRO HA H 50 4.483 4.512 -0.029 1
1 526 . 6 1 1 A 50 50 PRO C C 50 176.143 175.729 0.414 1
1 527 . 6 1 1 A 50 50 PRO CA C 50 62.639 62.829 -0.190 1
1 528 . 6 1 1 A 50 50 PRO CB C 50 32.575 32.484 0.091 1
1 531 . 6 1 1 A 51 51 GLU H H 51 8.463 8.559 -0.096 1
1 532 . 6 1 1 A 51 51 GLU HA H 51 4.560 4.627 -0.067 1
1 537 . 6 1 1 A 51 51 GLU C C 51 175.792 175.407 0.385 1
1 538 . 6 1 1 A 51 51 GLU CA C 51 55.516 55.638 -0.122 1
1 539 . 6 1 1 A 51 51 GLU CB C 51 31.305 31.685 -0.380 1
1 541 . 6 1 1 A 51 51 GLU N N 51 121.175 120.860 0.315 1
1 542 . 6 1 1 A 52 52 LYS H H 52 8.180 7.854 0.326 1
1 543 . 6 1 1 A 52 52 LYS HA H 52 4.511 4.779 -0.268 1
1 552 . 6 1 1 A 52 52 LYS C C 52 174.000 175.038 -1.038 1
1 553 . 6 1 1 A 52 52 LYS CA C 52 54.952 54.239 0.713 1
1 554 . 6 1 1 A 52 52 LYS CB C 52 36.101 34.934 1.167 1
1 558 . 6 1 1 A 52 52 LYS N N 52 125.598 125.375 0.223 1
1 559 . 6 1 1 A 53 53 SER H H 53 8.087 8.563 -0.476 1
1 560 . 6 1 1 A 53 53 SER HA H 53 5.637 5.331 0.306 1
1 563 . 6 1 1 A 53 53 SER C C 53 173.704 172.786 0.918 1
1 564 . 6 1 1 A 53 53 SER CA C 53 56.662 57.570 -0.908 1
1 565 . 6 1 1 A 53 53 SER CB C 53 67.219 65.635 1.584 1
1 566 . 6 1 1 A 53 53 SER N N 53 112.778 113.250 -0.472 1
1 567 . 6 1 1 A 54 54 VAL H H 54 8.940 8.776 0.164 1
1 568 . 6 1 1 A 54 54 VAL HA H 54 4.314 4.847 -0.533 1
1 576 . 6 1 1 A 54 54 VAL C C 54 172.304 174.587 -2.283 1
1 577 . 6 1 1 A 54 54 VAL CA C 54 60.506 60.155 0.351 1
1 578 . 6 1 1 A 54 54 VAL CB C 54 36.121 34.191 1.930 1
1 581 . 6 1 1 A 54 54 VAL N N 54 119.961 121.092 -1.131 1
1 582 . 6 1 1 A 55 55 SER H H 55 8.180 8.765 -0.585 1
1 583 . 6 1 1 A 55 55 SER HA H 55 5.461 4.844 0.617 1
1 586 . 6 1 1 A 55 55 SER C C 55 174.870 174.161 0.709 1
1 587 . 6 1 1 A 55 55 SER CA C 55 56.065 58.672 -2.607 1
1 588 . 6 1 1 A 55 55 SER CB C 55 64.094 63.928 0.166 1
1 589 . 6 1 1 A 55 55 SER N N 55 117.963 121.315 -3.352 1
1 590 . 6 1 1 A 56 56 VAL H H 56 9.201 8.633 0.568 1
1 591 . 6 1 1 A 56 56 VAL HA H 56 4.780 4.668 0.112 1
1 599 . 6 1 1 A 56 56 VAL C C 56 173.446 174.125 -0.679 1
1 600 . 6 1 1 A 56 56 VAL CA C 56 58.760 59.038 -0.278 1
1 601 . 6 1 1 A 56 56 VAL CB C 56 35.954 36.052 -0.098 1
1 604 . 6 1 1 A 56 56 VAL N N 56 127.863 126.356 1.507 1
1 605 . 6 1 1 A 57 57 PRO HA H 57 4.582 4.724 -0.142 1
1 612 . 6 1 1 A 57 57 PRO C C 57 176.776 178.411 -1.635 1
1 613 . 6 1 1 A 57 57 PRO CA C 57 64.226 63.391 0.835 1
1 614 . 6 1 1 A 57 57 PRO CB C 57 33.063 31.844 1.219 1
1 617 . 6 1 1 A 58 58 GLY H H 58 7.663 8.343 -0.680 1
1 618 . 6 1 1 A 58 58 GLY HA2 H 58 3.684 3.409 0.275 1
1 619 . 6 1 1 A 58 58 GLY HA3 H 58 3.620 3.604 0.016 1
1 620 . 6 1 1 A 58 58 GLY C C 58 173.755 175.745 -1.990 1
1 621 . 6 1 1 A 58 58 GLY CA C 58 46.877 47.029 -0.152 1
1 622 . 6 1 1 A 58 58 GLY N N 58 106.964 113.297 -6.333 1
1 623 . 6 1 1 A 59 59 ALA H H 59 7.900 8.142 -0.242 1
1 624 . 6 1 1 A 59 59 ALA HA H 59 4.516 4.059 0.457 1
1 628 . 6 1 1 A 59 59 ALA C C 59 178.104 177.606 0.498 1
1 629 . 6 1 1 A 59 59 ALA CA C 59 52.713 54.967 -2.254 1
1 630 . 6 1 1 A 59 59 ALA CB C 59 19.380 19.037 0.343 1
1 631 . 6 1 1 A 59 59 ALA N N 59 119.932 123.885 -3.953 1
1 632 . 6 1 1 A 60 60 ARG H H 60 8.306 8.068 0.238 1
1 633 . 6 1 1 A 60 60 ARG HA H 60 4.559 5.004 -0.445 1
1 640 . 6 1 1 A 60 60 ARG C C 60 174.842 175.604 -0.762 1
1 641 . 6 1 1 A 60 60 ARG CA C 60 55.357 55.187 0.170 1
1 642 . 6 1 1 A 60 60 ARG CB C 60 32.823 32.709 0.114 1
1 645 . 6 1 1 A 60 60 ARG N N 60 118.739 116.317 2.422 1
1 646 . 6 1 1 A 61 61 SER H H 61 8.229 8.757 -0.528 1
1 647 . 6 1 1 A 61 61 SER HA H 61 3.709 4.392 -0.683 1
1 650 . 6 1 1 A 61 61 SER C C 61 170.973 172.272 -1.299 1
1 651 . 6 1 1 A 61 61 SER CA C 61 56.045 56.907 -0.862 1
1 652 . 6 1 1 A 61 61 SER CB C 61 63.329 63.193 0.136 1
1 653 . 6 1 1 A 61 61 SER N N 61 110.956 112.356 -1.400 1
1 654 . 6 1 1 A 62 62 HIS H H 62 6.458 7.304 -0.846 1
1 655 . 6 1 1 A 62 62 HIS HA H 62 4.626 4.552 0.074 1
1 660 . 6 1 1 A 62 62 HIS C C 62 173.581 173.221 0.360 1
1 661 . 6 1 1 A 62 62 HIS CA C 62 54.494 54.437 0.057 1
1 662 . 6 1 1 A 62 62 HIS CB C 62 32.485 33.780 -1.295 1
1 665 . 6 1 1 A 62 62 HIS N N 62 113.571 119.895 -6.324 1
1 666 . 6 1 1 A 63 63 VAL H H 63 8.794 8.738 0.056 1
1 667 . 6 1 1 A 63 63 VAL HA H 63 4.325 4.494 -0.169 1
1 675 . 6 1 1 A 63 63 VAL C C 63 171.906 173.298 -1.392 1
1 676 . 6 1 1 A 63 63 VAL CA C 63 61.052 60.395 0.657 1
1 677 . 6 1 1 A 63 63 VAL CB C 63 34.800 35.282 -0.482 1
1 680 . 6 1 1 A 63 63 VAL N N 63 118.122 118.940 -0.818 1
1 681 . 6 1 1 A 64 64 THR H H 64 8.316 8.755 -0.439 1
1 682 . 6 1 1 A 64 64 THR HA H 64 4.970 5.119 -0.149 1
1 687 . 6 1 1 A 64 64 THR C C 64 173.412 173.144 0.268 1
1 688 . 6 1 1 A 64 64 THR CA C 64 61.775 61.151 0.624 1
1 689 . 6 1 1 A 64 64 THR CB C 64 69.851 72.549 -2.698 1
1 691 . 6 1 1 A 64 64 THR N N 64 122.871 117.756 5.115 1
1 692 . 6 1 1 A 65 65 LEU H H 65 9.348 8.684 0.664 1
1 693 . 6 1 1 A 65 65 LEU HA H 65 4.584 4.714 -0.130 1
1 703 . 6 1 1 A 65 65 LEU C C 65 173.397 174.953 -1.556 1
1 704 . 6 1 1 A 65 65 LEU CA C 65 50.297 51.140 -0.843 1
1 705 . 6 1 1 A 65 65 LEU CB C 65 41.547 42.117 -0.570 1
1 709 . 6 1 1 A 65 65 LEU N N 65 129.778 126.564 3.214 1
1 710 . 6 1 1 A 66 66 PRO HA H 66 4.868 4.480 0.388 1
1 717 . 6 1 1 A 66 66 PRO C C 66 175.188 176.789 -1.601 1
1 718 . 6 1 1 A 66 66 PRO CA C 66 61.370 62.642 -1.272 1
1 719 . 6 1 1 A 66 66 PRO CB C 66 33.700 32.652 1.048 1
1 722 . 6 1 1 A 67 67 ASP H H 67 8.729 8.951 -0.222 1
1 723 . 6 1 1 A 67 67 ASP HA H 67 4.333 4.555 -0.222 1
1 726 . 6 1 1 A 67 67 ASP C C 67 175.824 174.810 1.014 1
1 727 . 6 1 1 A 67 67 ASP CA C 67 55.181 54.972 0.209 1
1 728 . 6 1 1 A 67 67 ASP CB C 67 39.225 39.499 -0.274 1
1 729 . 6 1 1 A 67 67 ASP N N 67 113.984 121.437 -7.453 1
1 730 . 6 1 1 A 68 68 LEU H H 68 8.599 7.869 0.730 1
1 731 . 6 1 1 A 68 68 LEU HA H 68 4.414 4.743 -0.329 1
1 741 . 6 1 1 A 68 68 LEU C C 68 176.487 175.698 0.789 1
1 742 . 6 1 1 A 68 68 LEU CA C 68 53.259 53.038 0.221 1
1 743 . 6 1 1 A 68 68 LEU CB C 68 41.630 43.689 -2.059 1
1 747 . 6 1 1 A 68 68 LEU N N 68 118.102 118.974 -0.872 1
1 748 . 6 1 1 A 69 69 GLN H H 69 8.114 8.425 -0.311 1
1 749 . 6 1 1 A 69 69 GLN HA H 69 4.349 4.916 -0.567 1
1 756 . 6 1 1 A 69 69 GLN C C 69 175.669 174.172 1.497 1
1 757 . 6 1 1 A 69 69 GLN CA C 69 54.722 54.248 0.474 1
1 758 . 6 1 1 A 69 69 GLN CB C 69 30.803 32.230 -1.427 1
1 760 . 6 1 1 A 69 69 GLN N N 69 118.191 117.878 0.313 1
1 762 . 6 1 1 A 70 70 ALA H H 70 8.240 8.718 -0.478 1
1 763 . 6 1 1 A 70 70 ALA HA H 70 4.835 5.067 -0.232 1
1 767 . 6 1 1 A 70 70 ALA C C 70 178.720 176.959 1.761 1
1 768 . 6 1 1 A 70 70 ALA CA C 70 52.501 50.381 2.120 1
1 769 . 6 1 1 A 70 70 ALA CB C 70 20.257 21.804 -1.547 1
1 770 . 6 1 1 A 70 70 ALA N N 70 124.989 121.360 3.629 1
1 771 . 6 1 1 A 71 71 ALA H H 71 8.003 8.334 -0.331 1
1 772 . 6 1 1 A 71 71 ALA HA H 71 3.974 3.860 0.114 1
1 776 . 6 1 1 A 71 71 ALA C C 71 176.118 175.872 0.246 1
1 777 . 6 1 1 A 71 71 ALA CA C 71 52.491 52.984 -0.493 1
1 778 . 6 1 1 A 71 71 ALA CB C 71 18.439 17.689 0.750 1
1 779 . 6 1 1 A 71 71 ALA N N 71 128.133 120.150 7.983 1
1 780 . 6 1 1 A 72 72 THR H H 72 8.391 8.121 0.270 1
1 781 . 6 1 1 A 72 72 THR HA H 72 4.563 4.739 -0.176 1
1 786 . 6 1 1 A 72 72 THR C C 72 172.643 174.271 -1.628 1
1 787 . 6 1 1 A 72 72 THR CA C 72 62.856 61.797 1.059 1
1 788 . 6 1 1 A 72 72 THR CB C 72 71.924 71.219 0.705 1
1 790 . 6 1 1 A 72 72 THR N N 72 114.280 110.846 3.434 1
1 791 . 6 1 1 A 73 73 LYS H H 73 8.691 8.420 0.271 1
1 792 . 6 1 1 A 73 73 LYS HA H 73 4.846 4.309 0.537 1
1 801 . 6 1 1 A 73 73 LYS C C 73 176.405 175.726 0.679 1
1 802 . 6 1 1 A 73 73 LYS CA C 73 55.992 56.007 -0.015 1
1 803 . 6 1 1 A 73 73 LYS CB C 73 33.535 33.000 0.535 1
1 807 . 6 1 1 A 73 73 LYS N N 73 125.989 126.331 -0.342 1
1 808 . 6 1 1 A 74 74 TYR H H 74 9.569 8.651 0.918 1
1 809 . 6 1 1 A 74 74 TYR HA H 74 4.758 5.465 -0.707 1
1 816 . 6 1 1 A 74 74 TYR C C 74 173.567 174.868 -1.301 1
1 817 . 6 1 1 A 74 74 TYR CA C 74 58.778 56.552 2.226 1
1 818 . 6 1 1 A 74 74 TYR CB C 74 42.667 41.032 1.635 1
1 823 . 6 1 1 A 74 74 TYR N N 74 126.436 118.149 8.287 1
1 824 . 6 1 1 A 75 75 ARG H H 75 9.005 8.506 0.499 1
1 825 . 6 1 1 A 75 75 ARG HA H 75 5.053 4.401 0.652 1
1 832 . 6 1 1 A 75 75 ARG C C 75 175.042 174.925 0.117 1
1 833 . 6 1 1 A 75 75 ARG CA C 75 55.027 56.706 -1.679 1
1 834 . 6 1 1 A 75 75 ARG CB C 75 32.284 30.570 1.714 1
1 837 . 6 1 1 A 75 75 ARG N N 75 121.560 126.039 -4.479 1
1 838 . 6 1 1 A 76 76 VAL H H 76 9.127 9.124 0.003 1
1 839 . 6 1 1 A 76 76 VAL HA H 76 4.977 4.509 0.468 1
1 847 . 6 1 1 A 76 76 VAL C C 76 173.144 175.375 -2.231 1
1 848 . 6 1 1 A 76 76 VAL CA C 76 60.876 62.356 -1.480 1
1 849 . 6 1 1 A 76 76 VAL CB C 76 34.922 31.489 3.433 1
1 852 . 6 1 1 A 76 76 VAL N N 76 127.571 127.254 0.317 1
1 853 . 6 1 1 A 77 77 LEU H H 77 9.083 9.609 -0.526 1
1 854 . 6 1 1 A 77 77 LEU HA H 77 5.350 5.513 -0.163 1
1 864 . 6 1 1 A 77 77 LEU C C 77 176.622 175.660 0.962 1
1 865 . 6 1 1 A 77 77 LEU CA C 77 53.911 53.282 0.629 1
1 866 . 6 1 1 A 77 77 LEU CB C 77 44.959 42.725 2.234 1
1 870 . 6 1 1 A 77 77 LEU N N 77 127.310 129.057 -1.747 1
1 871 . 6 1 1 A 78 78 VAL H H 78 8.918 8.604 0.314 1
1 872 . 6 1 1 A 78 78 VAL HA H 78 4.890 4.574 0.316 1
1 880 . 6 1 1 A 78 78 VAL C C 78 174.235 175.056 -0.821 1
1 881 . 6 1 1 A 78 78 VAL CA C 78 61.193 61.125 0.068 1
1 882 . 6 1 1 A 78 78 VAL CB C 78 34.718 33.241 1.477 1
1 885 . 6 1 1 A 78 78 VAL N N 78 119.228 126.624 -7.396 1
1 886 . 6 1 1 A 79 79 SER H H 79 8.598 8.446 0.152 1
1 887 . 6 1 1 A 79 79 SER HA H 79 4.725 4.956 -0.231 1
1 890 . 6 1 1 A 79 79 SER C C 79 172.877 172.685 0.192 1
1 891 . 6 1 1 A 79 79 SER CA C 79 56.680 57.426 -0.746 1
1 892 . 6 1 1 A 79 79 SER CB C 79 65.806 66.337 -0.531 1
1 893 . 6 1 1 A 79 79 SER N N 79 119.664 123.610 -3.946 1
1 894 . 6 1 1 A 80 80 ALA H H 80 8.939 8.220 0.719 1
1 895 . 6 1 1 A 80 80 ALA HA H 80 4.325 4.726 -0.401 1
1 899 . 6 1 1 A 80 80 ALA C C 80 174.050 176.692 -2.642 1
1 900 . 6 1 1 A 80 80 ALA CA C 80 51.126 51.124 0.002 1
1 901 . 6 1 1 A 80 80 ALA CB C 80 21.990 19.917 2.073 1
1 902 . 6 1 1 A 80 80 ALA N N 80 126.283 127.457 -1.174 1
1 903 . 6 1 1 A 81 81 ILE H H 81 8.424 8.113 0.311 1
1 904 . 6 1 1 A 81 81 ILE HA H 81 4.116 4.541 -0.425 1
1 914 . 6 1 1 A 81 81 ILE C C 81 173.862 174.533 -0.671 1
1 915 . 6 1 1 A 81 81 ILE CA C 81 61.175 60.444 0.731 1
1 916 . 6 1 1 A 81 81 ILE CB C 81 36.015 38.032 -2.017 1
1 920 . 6 1 1 A 81 81 ILE N N 81 123.033 122.811 0.222 1
1 921 . 6 1 1 A 82 82 TYR H H 82 8.377 8.967 -0.590 1
1 922 . 6 1 1 A 82 82 TYR HA H 82 4.681 4.923 -0.242 1
1 929 . 6 1 1 A 82 82 TYR C C 82 176.146 176.307 -0.161 1
1 930 . 6 1 1 A 82 82 TYR CA C 82 56.309 56.709 -0.400 1
1 931 . 6 1 1 A 82 82 TYR CB C 82 40.734 42.802 -2.068 1
1 936 . 6 1 1 A 82 82 TYR N N 82 125.168 125.652 -0.484 1
1 937 . 6 1 1 A 83 83 ALA H H 83 9.437 9.115 0.322 1
1 938 . 6 1 1 A 83 83 ALA HA H 83 4.059 4.086 -0.027 1
1 942 . 6 1 1 A 83 83 ALA C C 83 179.312 180.089 -0.777 1
1 943 . 6 1 1 A 83 83 ALA CA C 83 55.729 55.628 0.101 1
1 944 . 6 1 1 A 83 83 ALA CB C 83 17.613 18.364 -0.751 1
1 945 . 6 1 1 A 83 83 ALA N N 83 125.234 124.761 0.473 1
1 946 . 6 1 1 A 84 84 ALA H H 84 7.823 7.889 -0.066 1
1 947 . 6 1 1 A 84 84 ALA HA H 84 4.434 4.087 0.347 1
1 951 . 6 1 1 A 84 84 ALA C C 84 176.808 177.522 -0.714 1
1 952 . 6 1 1 A 84 84 ALA CA C 84 51.936 54.757 -2.821 1
1 953 . 6 1 1 A 84 84 ALA CB C 84 19.514 19.888 -0.374 1
1 954 . 6 1 1 A 84 84 ALA N N 84 114.587 119.678 -5.091 1
1 955 . 6 1 1 A 85 85 GLY H H 85 7.366 7.475 -0.109 1
1 956 . 6 1 1 A 85 85 GLY HA2 H 85 4.362 4.022 0.340 1
1 957 . 6 1 1 A 85 85 GLY HA3 H 85 3.835 4.033 -0.198 1
1 958 . 6 1 1 A 85 85 GLY C C 85 171.544 171.833 -0.289 1
1 959 . 6 1 1 A 85 85 GLY CA C 85 44.576 46.157 -1.581 1
1 960 . 6 1 1 A 85 85 GLY N N 85 105.342 101.990 3.352 1
1 961 . 6 1 1 A 86 86 ARG H H 86 8.626 8.572 0.054 1
1 962 . 6 1 1 A 86 86 ARG HA H 86 5.263 5.469 -0.206 1
1 969 . 6 1 1 A 86 86 ARG C C 86 176.925 175.785 1.140 1
1 970 . 6 1 1 A 86 86 ARG CA C 86 54.863 54.559 0.304 1
1 971 . 6 1 1 A 86 86 ARG CB C 86 33.491 33.260 0.231 1
1 974 . 6 1 1 A 86 86 ARG N N 86 118.147 117.684 0.463 1
1 975 . 6 1 1 A 87 87 SER H H 87 9.496 9.080 0.416 1
1 976 . 6 1 1 A 87 87 SER HA H 87 4.747 4.598 0.149 1
1 979 . 6 1 1 A 87 87 SER C C 87 174.538 174.446 0.092 1
1 980 . 6 1 1 A 87 87 SER CA C 87 58.284 58.045 0.239 1
1 981 . 6 1 1 A 87 87 SER CB C 87 67.271 65.441 1.830 1
1 982 . 6 1 1 A 87 87 SER N N 87 119.835 114.374 5.461 1
1 983 . 6 1 1 A 88 88 GLU H H 88 9.058 8.566 0.492 1
1 984 . 6 1 1 A 88 88 GLU HA H 88 4.342 4.194 0.148 1
1 989 . 6 1 1 A 88 88 GLU C C 88 176.157 175.701 0.456 1
1 990 . 6 1 1 A 88 88 GLU CA C 88 56.874 55.752 1.122 1
1 991 . 6 1 1 A 88 88 GLU CB C 88 30.350 30.303 0.047 1
1 993 . 6 1 1 A 88 88 GLU N N 88 119.700 119.777 -0.077 1
1 994 . 6 1 1 A 89 89 ALA H H 89 8.674 8.586 0.088 1
1 995 . 6 1 1 A 89 89 ALA HA H 89 4.918 5.233 -0.315 1
1 999 . 6 1 1 A 89 89 ALA C C 89 178.887 176.096 2.791 1
1 1000 . 6 1 1 A 89 89 ALA CA C 89 51.340 50.422 0.918 1
1 1001 . 6 1 1 A 89 89 ALA CB C 89 20.130 21.629 -1.499 1
1 1002 . 6 1 1 A 89 89 ALA N N 89 125.485 122.155 3.330 1
1 1003 . 6 1 1 A 90 90 VAL H H 90 8.621 8.400 0.221 1
1 1004 . 6 1 1 A 90 90 VAL HA H 90 4.562 4.819 -0.257 1
1 1012 . 6 1 1 A 90 90 VAL C C 90 174.251 175.722 -1.471 1
1 1013 . 6 1 1 A 90 90 VAL CA C 90 60.365 60.824 -0.459 1
1 1014 . 6 1 1 A 90 90 VAL CB C 90 33.770 33.044 0.726 1
1 1017 . 6 1 1 A 90 90 VAL N N 90 119.440 120.215 -0.775 1
1 1018 . 6 1 1 A 91 91 SER H H 91 8.373 8.813 -0.440 1
1 1019 . 6 1 1 A 91 91 SER HA H 91 5.877 5.004 0.873 1
1 1022 . 6 1 1 A 91 91 SER C C 91 174.245 173.649 0.596 1
1 1023 . 6 1 1 A 91 91 SER CA C 91 56.109 57.086 -0.977 1
1 1024 . 6 1 1 A 91 91 SER CB C 91 67.620 65.027 2.593 1
1 1025 . 6 1 1 A 91 91 SER N N 91 116.084 121.141 -5.057 1
1 1026 . 6 1 1 A 92 92 ALA H H 92 8.900 8.762 0.138 1
1 1027 . 6 1 1 A 92 92 ALA HA H 92 4.681 4.924 -0.243 1
1 1031 . 6 1 1 A 92 92 ALA C C 92 175.187 176.054 -0.867 1
1 1032 . 6 1 1 A 92 92 ALA CA C 92 51.990 51.984 0.006 1
1 1033 . 6 1 1 A 92 92 ALA CB C 92 23.056 21.679 1.377 1
1 1034 . 6 1 1 A 92 92 ALA N N 92 123.885 121.896 1.989 1
1 1035 . 6 1 1 A 93 93 THR H H 93 8.466 8.721 -0.255 1
1 1036 . 6 1 1 A 93 93 THR HA H 93 5.623 5.251 0.372 1
1 1041 . 6 1 1 A 93 93 THR C C 93 174.366 174.241 0.125 1
1 1042 . 6 1 1 A 93 93 THR CA C 93 60.154 60.452 -0.298 1
1 1043 . 6 1 1 A 93 93 THR CB C 93 71.657 70.296 1.361 1
1 1045 . 6 1 1 A 93 93 THR N N 93 112.591 115.793 -3.202 1
1 1046 . 6 1 1 A 94 94 GLY H H 94 8.657 8.891 -0.234 1
1 1047 . 6 1 1 A 94 94 GLY HA2 H 94 4.483 4.225 0.258 1
1 1048 . 6 1 1 A 94 94 GLY HA3 H 94 3.625 4.235 -0.610 1
1 1049 . 6 1 1 A 94 94 GLY C C 94 170.518 173.778 -3.260 1
1 1050 . 6 1 1 A 94 94 GLY CA C 94 44.849 45.179 -0.330 1
1 1051 . 6 1 1 A 94 94 GLY N N 94 111.375 111.033 0.342 1
1 1052 . 6 1 1 A 95 95 GLN H H 95 8.667 8.742 -0.075 1
1 1053 . 6 1 1 A 95 95 GLN HA H 95 5.491 4.277 1.214 1
1 1060 . 6 1 1 A 95 95 GLN C C 95 176.226 175.386 0.840 1
1 1061 . 6 1 1 A 95 95 GLN CA C 95 54.000 56.872 -2.872 1
1 1062 . 6 1 1 A 95 95 GLN CB C 95 32.822 29.352 3.470 1
1 1064 . 6 1 1 A 95 95 GLN N N 95 120.893 126.744 -5.851 1
1 1066 . 6 1 1 A 96 96 THR H H 96 8.609 8.520 0.089 1
1 1067 . 6 1 1 A 96 96 THR HA H 96 4.384 4.864 -0.480 1
1 1072 . 6 1 1 A 96 96 THR C C 96 175.194 174.410 0.784 1
1 1073 . 6 1 1 A 96 96 THR CA C 96 60.783 61.370 -0.587 1
1 1074 . 6 1 1 A 96 96 THR CB C 96 70.198 71.518 -1.320 1
1 1076 . 6 1 1 A 96 96 THR N N 96 115.777 116.007 -0.230 1
1 1077 . 6 1 1 A 97 97 ALA H H 97 8.009 8.261 -0.252 1
1 1078 . 6 1 1 A 97 97 ALA HA H 97 4.186 4.584 -0.398 1
1 1082 . 6 1 1 A 97 97 ALA C C 97 176.174 177.298 -1.124 1
1 1083 . 6 1 1 A 97 97 ALA CA C 97 52.077 51.365 0.712 1
1 1084 . 6 1 1 A 97 97 ALA CB C 97 19.001 19.925 -0.924 1
1 1085 . 6 1 1 A 97 97 ALA N N 97 120.015 122.846 -2.831 1
1 1086 . 6 1 1 A 98 98 CYS H H 98 8.239 8.472 -0.233 1
1 1087 . 6 1 1 A 98 98 CYS HA H 98 4.705 4.988 -0.283 1
1 1090 . 6 1 1 A 98 98 CYS C C 98 173.203 174.778 -1.575 1
1 1091 . 6 1 1 A 98 98 CYS CA C 98 56.644 56.627 0.017 1
1 1092 . 6 1 1 A 98 98 CYS CB C 98 27.357 29.288 -1.931 1
1 1093 . 6 1 1 A 98 98 CYS N N 98 116.874 117.699 -0.825 1
1 1094 . 6 1 1 A 99 99 PRO HA H 99 4.421 4.370 0.051 1
1 1101 . 6 1 1 A 99 99 PRO CA C 99 63.337 65.393 -2.056 1
1 1102 . 6 1 1 A 99 99 PRO CB C 99 32.132 31.650 0.482 1
1 1105 . 6 1 1 A 100 100 SER H H 100 8.463 8.147 0.316 1
1 1106 . 6 1 1 A 100 100 SER HA H 100 4.470 4.021 0.449 1
1 1109 . 6 1 1 A 100 100 SER CA C 100 58.453 59.384 -0.931 1
1 1110 . 6 1 1 A 100 100 SER CB C 100 64.023 62.063 1.960 1
1 1111 . 6 1 1 A 100 100 SER N N 100 116.426 113.126 3.300 1
1 1112 . 6 1 1 A 101 101 GLY H H 101 8.237 8.481 -0.244 1
1 1113 . 6 1 1 A 101 101 GLY HA2 H 101 4.165 4.034 0.131 1
1 1114 . 6 1 1 A 101 101 GLY HA3 H 101 4.100 4.034 0.066 1
1 1115 . 6 1 1 A 101 101 GLY CA C 101 44.647 44.753 -0.106 1
1 1116 . 6 1 1 A 101 101 GLY N N 101 110.731 107.463 3.268 1
1 1117 . 6 1 1 A 102 102 PRO HA H 102 4.484 4.378 0.106 1
1 1123 . 6 1 1 A 102 102 PRO CA C 102 63.069 65.009 -1.940 1
1 1124 . 6 1 1 A 102 102 PRO CB C 102 32.189 31.919 0.270 1
1 1127 . 6 1 1 A 103 103 SER H H 103 8.540 8.677 -0.137 1
1 1 . 7 1 1 A 5 5 SER N N 5 119.122 115.408 3.714 1
1 2 . 7 1 1 A 6 6 SER N N 6 123.945 112.252 11.693 1
1 3 . 7 1 1 A 7 7 GLY HA2 H 7 3.813 4.026 -0.213 1
1 4 . 7 1 1 A 7 7 GLY HA3 H 7 3.813 4.066 -0.253 1
1 5 . 7 1 1 A 7 7 GLY CA C 7 45.375 44.551 0.824 1
1 6 . 7 1 1 A 8 8 ARG H H 8 7.999 8.205 -0.206 1
1 7 . 7 1 1 A 8 8 ARG HA H 8 3.712 3.320 0.392 1
1 14 . 7 1 1 A 8 8 ARG CA C 8 54.185 55.816 -1.631 1
1 15 . 7 1 1 A 8 8 ARG CB C 8 29.555 30.626 -1.071 1
1 18 . 7 1 1 A 8 8 ARG N N 8 121.209 120.590 0.619 1
1 19 . 7 1 1 A 9 9 SER H H 9 7.810 8.636 -0.826 1
1 20 . 7 1 1 A 9 9 SER HA H 9 4.725 5.073 -0.348 1
1 23 . 7 1 1 A 9 9 SER CA C 9 58.455 54.645 3.810 1
1 24 . 7 1 1 A 9 9 SER CB C 9 62.966 65.130 -2.164 1
1 25 . 7 1 1 A 9 9 SER N N 9 118.072 119.794 -1.722 1
1 26 . 7 1 1 A 10 10 PRO HA H 10 5.182 4.963 0.219 1
1 33 . 7 1 1 A 10 10 PRO CA C 10 61.759 61.287 0.472 1
1 34 . 7 1 1 A 10 10 PRO CB C 10 30.280 31.560 -1.280 1
1 37 . 7 1 1 A 11 11 PRO HA H 11 4.567 4.727 -0.160 1
1 44 . 7 1 1 A 11 11 PRO C C 11 173.556 175.730 -2.174 1
1 45 . 7 1 1 A 11 11 PRO CA C 11 62.674 62.697 -0.023 1
1 46 . 7 1 1 A 11 11 PRO CB C 11 33.026 32.238 0.788 1
1 49 . 7 1 1 A 12 12 SER H H 12 8.427 8.617 -0.190 1
1 50 . 7 1 1 A 12 12 SER HA H 12 4.890 5.009 -0.119 1
1 53 . 7 1 1 A 12 12 SER C C 12 173.115 173.673 -0.558 1
1 54 . 7 1 1 A 12 12 SER CA C 12 56.556 57.046 -0.490 1
1 55 . 7 1 1 A 12 12 SER CB C 12 66.882 66.600 0.282 1
1 56 . 7 1 1 A 12 12 SER N N 12 111.345 117.205 -5.860 1
1 57 . 7 1 1 A 13 13 ASN H H 13 8.973 8.779 0.194 1
1 58 . 7 1 1 A 13 13 ASN HA H 13 4.318 4.263 0.055 1
1 63 . 7 1 1 A 13 13 ASN C C 13 173.850 174.694 -0.844 1
1 64 . 7 1 1 A 13 13 ASN CA C 13 53.928 54.185 -0.257 1
1 65 . 7 1 1 A 13 13 ASN CB C 13 37.365 36.888 0.477 1
1 66 . 7 1 1 A 13 13 ASN N N 13 115.970 116.819 -0.849 1
1 68 . 7 1 1 A 14 14 LEU H H 14 8.223 8.149 0.074 1
1 69 . 7 1 1 A 14 14 LEU HA H 14 4.857 4.522 0.335 1
1 79 . 7 1 1 A 14 14 LEU C C 14 176.725 177.036 -0.311 1
1 80 . 7 1 1 A 14 14 LEU CA C 14 56.115 56.139 -0.024 1
1 81 . 7 1 1 A 14 14 LEU CB C 14 42.621 41.872 0.749 1
1 85 . 7 1 1 A 14 14 LEU N N 14 119.681 119.895 -0.214 1
1 86 . 7 1 1 A 15 15 ALA H H 15 9.364 8.689 0.675 1
1 87 . 7 1 1 A 15 15 ALA HA H 15 4.736 5.043 -0.307 1
1 91 . 7 1 1 A 15 15 ALA C C 15 175.056 175.516 -0.460 1
1 92 . 7 1 1 A 15 15 ALA CA C 15 51.496 50.645 0.851 1
1 93 . 7 1 1 A 15 15 ALA CB C 15 22.285 20.705 1.580 1
1 94 . 7 1 1 A 15 15 ALA N N 15 130.359 126.461 3.898 1
1 95 . 7 1 1 A 16 16 LEU H H 16 8.448 9.083 -0.635 1
1 96 . 7 1 1 A 16 16 LEU HA H 16 5.385 4.994 0.391 1
1 106 . 7 1 1 A 16 16 LEU C C 16 175.868 175.782 0.086 1
1 107 . 7 1 1 A 16 16 LEU CA C 16 53.224 53.925 -0.701 1
1 108 . 7 1 1 A 16 16 LEU CB C 16 45.061 41.738 3.323 1
1 112 . 7 1 1 A 16 16 LEU N N 16 120.470 124.342 -3.872 1
1 113 . 7 1 1 A 17 17 ALA H H 17 8.737 9.326 -0.589 1
1 114 . 7 1 1 A 17 17 ALA HA H 17 4.620 5.246 -0.626 1
1 118 . 7 1 1 A 17 17 ALA C C 17 175.371 175.159 0.212 1
1 119 . 7 1 1 A 17 17 ALA CA C 17 51.249 50.277 0.972 1
1 120 . 7 1 1 A 17 17 ALA CB C 17 22.570 21.123 1.447 1
1 121 . 7 1 1 A 17 17 ALA N N 17 124.938 128.717 -3.779 1
1 122 . 7 1 1 A 18 18 SER H H 18 8.675 8.876 -0.201 1
1 123 . 7 1 1 A 18 18 SER HA H 18 5.021 4.658 0.363 1
1 126 . 7 1 1 A 18 18 SER C C 18 174.678 175.235 -0.557 1
1 127 . 7 1 1 A 18 18 SER CA C 18 57.244 56.705 0.539 1
1 128 . 7 1 1 A 18 18 SER CB C 18 64.200 64.134 0.066 1
1 129 . 7 1 1 A 18 18 SER N N 18 113.933 118.949 -5.016 1
1 130 . 7 1 1 A 19 19 GLU H H 19 9.743 8.845 0.898 1
1 131 . 7 1 1 A 19 19 GLU HA H 19 4.466 4.601 -0.135 1
1 136 . 7 1 1 A 19 19 GLU C C 19 176.368 176.268 0.100 1
1 137 . 7 1 1 A 19 19 GLU CA C 19 56.295 56.452 -0.157 1
1 138 . 7 1 1 A 19 19 GLU CB C 19 31.532 31.410 0.122 1
1 140 . 7 1 1 A 19 19 GLU N N 19 127.234 124.043 3.191 1
1 141 . 7 1 1 A 20 20 THR H H 20 7.759 7.688 0.071 1
1 142 . 7 1 1 A 20 20 THR HA H 20 4.935 4.700 0.235 1
1 147 . 7 1 1 A 20 20 THR C C 20 171.770 173.821 -2.051 1
1 148 . 7 1 1 A 20 20 THR CA C 20 58.337 58.295 0.042 1
1 149 . 7 1 1 A 20 20 THR CB C 20 69.869 71.829 -1.960 1
1 151 . 7 1 1 A 20 20 THR N N 20 109.600 113.735 -4.135 1
1 152 . 7 1 1 A 21 21 PRO HA H 21 4.587 4.528 0.059 1
1 159 . 7 1 1 A 21 21 PRO C C 21 173.647 176.151 -2.504 1
1 160 . 7 1 1 A 21 21 PRO CA C 21 64.332 64.120 0.212 1
1 161 . 7 1 1 A 21 21 PRO CB C 21 32.380 31.494 0.886 1
1 164 . 7 1 1 A 22 22 ASP H H 22 7.420 8.219 -0.799 1
1 165 . 7 1 1 A 22 22 ASP HA H 22 4.648 5.174 -0.526 1
1 168 . 7 1 1 A 22 22 ASP C C 22 175.838 175.279 0.559 1
1 169 . 7 1 1 A 22 22 ASP CA C 22 51.037 54.110 -3.073 1
1 170 . 7 1 1 A 22 22 ASP CB C 22 42.177 42.720 -0.543 1
1 171 . 7 1 1 A 22 22 ASP N N 22 107.201 117.592 -10.391 1
1 172 . 7 1 1 A 23 23 SER H H 23 7.729 7.605 0.124 1
1 173 . 7 1 1 A 23 23 SER HA H 23 5.474 5.014 0.460 1
1 176 . 7 1 1 A 23 23 SER C C 23 171.887 172.083 -0.196 1
1 177 . 7 1 1 A 23 23 SER CA C 23 57.481 57.575 -0.094 1
1 178 . 7 1 1 A 23 23 SER CB C 23 68.168 66.865 1.303 1
1 179 . 7 1 1 A 23 23 SER N N 23 112.046 113.548 -1.502 1
1 180 . 7 1 1 A 24 24 LEU H H 24 7.884 8.379 -0.495 1
1 181 . 7 1 1 A 24 24 LEU HA H 24 4.769 4.851 -0.082 1
1 191 . 7 1 1 A 24 24 LEU C C 24 174.542 174.466 0.076 1
1 192 . 7 1 1 A 24 24 LEU CA C 24 53.576 54.048 -0.472 1
1 193 . 7 1 1 A 24 24 LEU CB C 24 47.616 45.565 2.051 1
1 197 . 7 1 1 A 24 24 LEU N N 24 119.324 124.712 -5.388 1
1 198 . 7 1 1 A 25 25 GLN H H 25 9.356 8.910 0.446 1
1 199 . 7 1 1 A 25 25 GLN HA H 25 4.747 4.548 0.199 1
1 206 . 7 1 1 A 25 25 GLN C C 25 174.824 174.790 0.034 1
1 207 . 7 1 1 A 25 25 GLN CA C 25 55.533 55.728 -0.195 1
1 208 . 7 1 1 A 25 25 GLN CB C 25 29.759 29.881 -0.122 1
1 210 . 7 1 1 A 25 25 GLN N N 25 124.019 128.073 -4.054 1
1 212 . 7 1 1 A 26 26 VAL H H 26 9.020 8.149 0.871 1
1 213 . 7 1 1 A 26 26 VAL HA H 26 4.824 4.945 -0.121 1
1 221 . 7 1 1 A 26 26 VAL C C 26 174.556 174.018 0.538 1
1 222 . 7 1 1 A 26 26 VAL CA C 26 60.629 60.144 0.485 1
1 223 . 7 1 1 A 26 26 VAL CB C 26 33.355 35.145 -1.790 1
1 226 . 7 1 1 A 26 26 VAL N N 26 127.649 125.171 2.478 1
1 227 . 7 1 1 A 27 27 SER H H 27 9.056 8.706 0.350 1
1 228 . 7 1 1 A 27 27 SER HA H 27 4.857 5.214 -0.357 1
1 231 . 7 1 1 A 27 27 SER C C 27 172.328 173.448 -1.120 1
1 232 . 7 1 1 A 27 27 SER CA C 27 57.138 55.696 1.442 1
1 233 . 7 1 1 A 27 27 SER CB C 27 66.864 66.621 0.243 1
1 234 . 7 1 1 A 27 27 SER N N 27 119.826 122.040 -2.214 1
1 235 . 7 1 1 A 28 28 TRP H H 28 7.584 8.319 -0.735 1
1 236 . 7 1 1 A 28 28 TRP HA H 28 5.022 5.431 -0.409 1
1 245 . 7 1 1 A 28 28 TRP C C 28 174.055 173.038 1.017 1
1 246 . 7 1 1 A 28 28 TRP CA C 28 56.609 55.312 1.297 1
1 247 . 7 1 1 A 28 28 TRP CB C 28 29.814 31.281 -1.467 1
1 253 . 7 1 1 A 28 28 TRP N N 28 115.280 118.193 -2.913 1
1 255 . 7 1 1 A 29 29 THR H H 29 9.293 9.062 0.231 1
1 256 . 7 1 1 A 29 29 THR HA H 29 4.865 4.780 0.085 1
1 261 . 7 1 1 A 29 29 THR C C 29 173.203 173.647 -0.444 1
1 262 . 7 1 1 A 29 29 THR CA C 29 59.889 59.613 0.276 1
1 263 . 7 1 1 A 29 29 THR CB C 29 69.774 69.687 0.087 1
1 265 . 7 1 1 A 29 29 THR N N 29 117.164 116.194 0.970 1
1 266 . 7 1 1 A 30 30 PRO HA H 30 4.809 4.730 0.079 1
1 273 . 7 1 1 A 30 30 PRO CA C 30 61.701 61.804 -0.103 1
1 274 . 7 1 1 A 30 30 PRO CB C 30 32.114 32.230 -0.116 1
1 277 . 7 1 1 A 31 31 PRO HA H 31 4.703 4.719 -0.016 1
1 284 . 7 1 1 A 31 31 PRO C C 31 175.384 176.681 -1.297 1
1 285 . 7 1 1 A 31 31 PRO CA C 31 61.793 62.449 -0.656 1
1 286 . 7 1 1 A 31 31 PRO CB C 31 32.822 33.505 -0.683 1
1 289 . 7 1 1 A 32 32 LEU H H 32 8.312 8.754 -0.442 1
1 290 . 7 1 1 A 32 32 LEU HA H 32 4.333 4.484 -0.151 1
1 300 . 7 1 1 A 32 32 LEU C C 32 177.793 178.112 -0.319 1
1 301 . 7 1 1 A 32 32 LEU CA C 32 55.851 57.171 -1.320 1
1 302 . 7 1 1 A 32 32 LEU CB C 32 41.968 42.887 -0.919 1
1 306 . 7 1 1 A 32 32 LEU N N 32 119.044 120.657 -1.613 1
1 307 . 7 1 1 A 33 33 GLY H H 33 8.147 7.904 0.243 1
1 308 . 7 1 1 A 33 33 GLY HA2 H 33 4.210 4.029 0.181 1
1 309 . 7 1 1 A 33 33 GLY HA3 H 33 4.051 4.043 0.008 1
1 310 . 7 1 1 A 33 33 GLY C C 33 172.971 173.744 -0.773 1
1 311 . 7 1 1 A 33 33 GLY CA C 33 44.216 45.724 -1.508 1
1 312 . 7 1 1 A 33 33 GLY N N 33 107.917 106.849 1.068 1
1 313 . 7 1 1 A 34 34 ARG H H 34 8.671 8.387 0.284 1
1 314 . 7 1 1 A 34 34 ARG HA H 34 4.405 4.315 0.090 1
1 321 . 7 1 1 A 34 34 ARG C C 34 174.517 175.574 -1.057 1
1 322 . 7 1 1 A 34 34 ARG CA C 34 55.339 56.926 -1.587 1
1 323 . 7 1 1 A 34 34 ARG CB C 34 29.137 30.817 -1.680 1
1 326 . 7 1 1 A 34 34 ARG N N 34 121.152 123.521 -2.369 1
1 327 . 7 1 1 A 35 35 VAL H H 35 7.825 8.596 -0.771 1
1 328 . 7 1 1 A 35 35 VAL HA H 35 3.060 4.274 -1.214 1
1 336 . 7 1 1 A 35 35 VAL C C 35 176.613 175.765 0.848 1
1 337 . 7 1 1 A 35 35 VAL CA C 35 62.505 60.219 2.286 1
1 338 . 7 1 1 A 35 35 VAL CB C 35 32.534 33.042 -0.508 1
1 341 . 7 1 1 A 35 35 VAL N N 35 126.379 127.730 -1.351 1
1 342 . 7 1 1 A 36 36 LEU H H 36 8.874 8.390 0.484 1
1 343 . 7 1 1 A 36 36 LEU HA H 36 4.176 3.989 0.187 1
1 353 . 7 1 1 A 36 36 LEU C C 36 177.540 176.776 0.764 1
1 354 . 7 1 1 A 36 36 LEU CA C 36 57.050 57.905 -0.855 1
1 355 . 7 1 1 A 36 36 LEU CB C 36 41.723 42.413 -0.690 1
1 359 . 7 1 1 A 36 36 LEU N N 36 127.956 130.744 -2.788 1
1 360 . 7 1 1 A 37 37 HIS H H 37 7.231 7.382 -0.151 1
1 361 . 7 1 1 A 37 37 HIS HA H 37 4.615 4.834 -0.219 1
1 366 . 7 1 1 A 37 37 HIS C C 37 171.558 171.635 -0.077 1
1 367 . 7 1 1 A 37 37 HIS CA C 37 55.005 54.070 0.935 1
1 368 . 7 1 1 A 37 37 HIS CB C 37 32.039 32.404 -0.365 1
1 371 . 7 1 1 A 37 37 HIS N N 37 112.948 112.086 0.862 1
1 372 . 7 1 1 A 38 38 TYR H H 38 9.836 8.667 1.169 1
1 373 . 7 1 1 A 38 38 TYR HA H 38 5.165 4.996 0.169 1
1 378 . 7 1 1 A 38 38 TYR C C 38 174.934 174.686 0.248 1
1 379 . 7 1 1 A 38 38 TYR CA C 38 56.698 56.492 0.206 1
1 380 . 7 1 1 A 38 38 TYR CB C 38 40.251 39.627 0.624 1
1 385 . 7 1 1 A 38 38 TYR N N 38 116.581 116.995 -0.414 1
1 386 . 7 1 1 A 39 39 TRP H H 39 8.984 8.840 0.144 1
1 387 . 7 1 1 A 39 39 TRP HA H 39 5.307 4.987 0.320 1
1 396 . 7 1 1 A 39 39 TRP C C 39 173.996 175.041 -1.045 1
1 397 . 7 1 1 A 39 39 TRP CA C 39 55.798 56.607 -0.809 1
1 398 . 7 1 1 A 39 39 TRP CB C 39 31.998 29.377 2.621 1
1 404 . 7 1 1 A 39 39 TRP N N 39 124.201 128.215 -4.014 1
1 406 . 7 1 1 A 40 40 LEU H H 40 8.695 8.401 0.294 1
1 407 . 7 1 1 A 40 40 LEU HA H 40 5.636 4.791 0.845 1
1 417 . 7 1 1 A 40 40 LEU C C 40 175.416 174.854 0.562 1
1 418 . 7 1 1 A 40 40 LEU CA C 40 54.030 53.698 0.332 1
1 419 . 7 1 1 A 40 40 LEU CB C 40 44.846 44.460 0.386 1
1 423 . 7 1 1 A 40 40 LEU N N 40 132.690 129.746 2.944 1
1 424 . 7 1 1 A 41 41 THR H H 41 9.103 8.993 0.110 1
1 425 . 7 1 1 A 41 41 THR HA H 41 5.341 5.138 0.203 1
1 430 . 7 1 1 A 41 41 THR C C 41 173.042 173.130 -0.088 1
1 431 . 7 1 1 A 41 41 THR CA C 41 60.118 60.225 -0.107 1
1 432 . 7 1 1 A 41 41 THR CB C 41 71.493 69.828 1.665 1
1 434 . 7 1 1 A 41 41 THR N N 41 117.923 116.432 1.491 1
1 435 . 7 1 1 A 42 42 TYR H H 42 9.073 8.938 0.135 1
1 436 . 7 1 1 A 42 42 TYR HA H 42 5.915 5.272 0.643 1
1 443 . 7 1 1 A 42 42 TYR C C 42 173.637 174.981 -1.344 1
1 444 . 7 1 1 A 42 42 TYR CA C 42 55.146 56.504 -1.358 1
1 445 . 7 1 1 A 42 42 TYR CB C 42 42.124 40.459 1.665 1
1 450 . 7 1 1 A 42 42 TYR N N 42 118.958 123.279 -4.321 1
1 451 . 7 1 1 A 43 43 ALA H H 43 8.508 8.685 -0.177 1
1 452 . 7 1 1 A 43 43 ALA HA H 43 5.099 4.694 0.405 1
1 456 . 7 1 1 A 43 43 ALA C C 43 173.859 174.043 -0.184 1
1 457 . 7 1 1 A 43 43 ALA CA C 43 50.156 50.002 0.154 1
1 458 . 7 1 1 A 43 43 ALA CB C 43 21.455 21.931 -0.476 1
1 459 . 7 1 1 A 43 43 ALA N N 43 122.386 121.473 0.913 1
1 460 . 7 1 1 A 44 44 PRO HA H 44 4.079 4.196 -0.117 1
1 467 . 7 1 1 A 44 44 PRO C C 44 178.191 177.492 0.699 1
1 468 . 7 1 1 A 44 44 PRO CA C 44 63.194 62.082 1.112 1
1 469 . 7 1 1 A 44 44 PRO CB C 44 31.525 30.042 1.483 1
1 472 . 7 1 1 A 45 45 ALA H H 45 8.934 8.123 0.811 1
1 473 . 7 1 1 A 45 45 ALA HA H 45 3.965 3.963 0.002 1
1 477 . 7 1 1 A 45 45 ALA C C 45 177.272 179.072 -1.800 1
1 478 . 7 1 1 A 45 45 ALA CA C 45 53.911 55.237 -1.326 1
1 479 . 7 1 1 A 45 45 ALA CB C 45 18.221 18.292 -0.071 1
1 480 . 7 1 1 A 45 45 ALA N N 45 129.632 128.150 1.482 1
1 481 . 7 1 1 A 46 46 SER H H 46 8.311 7.841 0.470 1
1 482 . 7 1 1 A 46 46 SER HA H 46 4.193 4.179 0.014 1
1 485 . 7 1 1 A 46 46 SER C C 46 175.546 174.653 0.893 1
1 486 . 7 1 1 A 46 46 SER CA C 46 58.584 60.973 -2.389 1
1 487 . 7 1 1 A 46 46 SER CB C 46 63.543 63.380 0.163 1
1 488 . 7 1 1 A 46 46 SER N N 46 111.878 111.973 -0.095 1
1 489 . 7 1 1 A 47 47 GLY H H 47 7.743 8.131 -0.388 1
1 490 . 7 1 1 A 47 47 GLY HA2 H 47 4.203 3.950 0.253 1
1 491 . 7 1 1 A 47 47 GLY HA3 H 47 3.840 3.955 -0.115 1
1 492 . 7 1 1 A 47 47 GLY C C 47 174.463 175.330 -0.867 1
1 493 . 7 1 1 A 47 47 GLY CA C 47 45.501 45.118 0.383 1
1 494 . 7 1 1 A 47 47 GLY N N 47 108.526 108.594 -0.068 1
1 495 . 7 1 1 A 48 48 LEU H H 48 7.794 7.901 -0.107 1
1 496 . 7 1 1 A 48 48 LEU HA H 48 4.448 4.422 0.026 1
1 506 . 7 1 1 A 48 48 LEU C C 48 176.668 175.279 1.389 1
1 507 . 7 1 1 A 48 48 LEU CA C 48 54.470 54.376 0.094 1
1 508 . 7 1 1 A 48 48 LEU CB C 48 41.445 40.759 0.686 1
1 512 . 7 1 1 A 48 48 LEU N N 48 120.348 122.096 -1.748 1
1 513 . 7 1 1 A 49 49 GLY H H 49 7.889 7.329 0.560 1
1 514 . 7 1 1 A 49 49 GLY HA2 H 49 4.266 4.040 0.226 1
1 515 . 7 1 1 A 49 49 GLY HA3 H 49 3.965 4.048 -0.083 1
1 516 . 7 1 1 A 49 49 GLY C C 49 170.653 170.918 -0.265 1
1 517 . 7 1 1 A 49 49 GLY CA C 49 44.151 45.325 -1.174 1
1 518 . 7 1 1 A 49 49 GLY N N 49 108.892 107.928 0.964 1
1 519 . 7 1 1 A 50 50 PRO HA H 50 4.483 4.554 -0.071 1
1 526 . 7 1 1 A 50 50 PRO C C 50 176.143 176.134 0.009 1
1 527 . 7 1 1 A 50 50 PRO CA C 50 62.639 62.774 -0.135 1
1 528 . 7 1 1 A 50 50 PRO CB C 50 32.575 32.891 -0.316 1
1 531 . 7 1 1 A 51 51 GLU H H 51 8.463 8.428 0.035 1
1 532 . 7 1 1 A 51 51 GLU HA H 51 4.560 4.692 -0.132 1
1 537 . 7 1 1 A 51 51 GLU C C 51 175.792 175.823 -0.031 1
1 538 . 7 1 1 A 51 51 GLU CA C 51 55.516 55.357 0.159 1
1 539 . 7 1 1 A 51 51 GLU CB C 51 31.305 31.949 -0.644 1
1 541 . 7 1 1 A 51 51 GLU N N 51 121.175 118.289 2.886 1
1 542 . 7 1 1 A 52 52 LYS H H 52 8.180 8.063 0.117 1
1 543 . 7 1 1 A 52 52 LYS HA H 52 4.511 4.757 -0.246 1
1 552 . 7 1 1 A 52 52 LYS C C 52 174.000 175.664 -1.664 1
1 553 . 7 1 1 A 52 52 LYS CA C 52 54.952 54.272 0.680 1
1 554 . 7 1 1 A 52 52 LYS CB C 52 36.101 35.052 1.049 1
1 558 . 7 1 1 A 52 52 LYS N N 52 125.598 122.440 3.158 1
1 559 . 7 1 1 A 53 53 SER H H 53 8.087 8.673 -0.586 1
1 560 . 7 1 1 A 53 53 SER HA H 53 5.637 5.193 0.444 1
1 563 . 7 1 1 A 53 53 SER C C 53 173.704 172.928 0.776 1
1 564 . 7 1 1 A 53 53 SER CA C 53 56.662 57.396 -0.734 1
1 565 . 7 1 1 A 53 53 SER CB C 53 67.219 65.201 2.018 1
1 566 . 7 1 1 A 53 53 SER N N 53 112.778 116.406 -3.628 1
1 567 . 7 1 1 A 54 54 VAL H H 54 8.940 8.931 0.009 1
1 568 . 7 1 1 A 54 54 VAL HA H 54 4.314 4.863 -0.549 1
1 576 . 7 1 1 A 54 54 VAL C C 54 172.304 174.424 -2.120 1
1 577 . 7 1 1 A 54 54 VAL CA C 54 60.506 59.632 0.874 1
1 578 . 7 1 1 A 54 54 VAL CB C 54 36.121 34.697 1.424 1
1 581 . 7 1 1 A 54 54 VAL N N 54 119.961 120.849 -0.888 1
1 582 . 7 1 1 A 55 55 SER H H 55 8.180 8.829 -0.649 1
1 583 . 7 1 1 A 55 55 SER HA H 55 5.461 4.903 0.558 1
1 586 . 7 1 1 A 55 55 SER C C 55 174.870 174.345 0.525 1
1 587 . 7 1 1 A 55 55 SER CA C 55 56.065 58.606 -2.541 1
1 588 . 7 1 1 A 55 55 SER CB C 55 64.094 63.982 0.112 1
1 589 . 7 1 1 A 55 55 SER N N 55 117.963 120.991 -3.028 1
1 590 . 7 1 1 A 56 56 VAL H H 56 9.201 8.685 0.516 1
1 591 . 7 1 1 A 56 56 VAL HA H 56 4.780 4.669 0.111 1
1 599 . 7 1 1 A 56 56 VAL C C 56 173.446 174.096 -0.650 1
1 600 . 7 1 1 A 56 56 VAL CA C 56 58.760 59.027 -0.267 1
1 601 . 7 1 1 A 56 56 VAL CB C 56 35.954 36.014 -0.060 1
1 604 . 7 1 1 A 56 56 VAL N N 56 127.863 125.975 1.888 1
1 605 . 7 1 1 A 57 57 PRO HA H 57 4.582 4.645 -0.063 1
1 612 . 7 1 1 A 57 57 PRO C C 57 176.776 178.572 -1.796 1
1 613 . 7 1 1 A 57 57 PRO CA C 57 64.226 63.381 0.845 1
1 614 . 7 1 1 A 57 57 PRO CB C 57 33.063 31.866 1.197 1
1 617 . 7 1 1 A 58 58 GLY H H 58 7.663 8.790 -1.127 1
1 618 . 7 1 1 A 58 58 GLY HA2 H 58 3.684 3.511 0.173 1
1 619 . 7 1 1 A 58 58 GLY HA3 H 58 3.620 3.653 -0.033 1
1 620 . 7 1 1 A 58 58 GLY C C 58 173.755 175.450 -1.695 1
1 621 . 7 1 1 A 58 58 GLY CA C 58 46.877 47.084 -0.207 1
1 622 . 7 1 1 A 58 58 GLY N N 58 106.964 113.060 -6.096 1
1 623 . 7 1 1 A 59 59 ALA H H 59 7.900 8.175 -0.275 1
1 624 . 7 1 1 A 59 59 ALA HA H 59 4.516 4.028 0.488 1
1 628 . 7 1 1 A 59 59 ALA C C 59 178.104 177.573 0.531 1
1 629 . 7 1 1 A 59 59 ALA CA C 59 52.713 55.066 -2.353 1
1 630 . 7 1 1 A 59 59 ALA CB C 59 19.380 18.877 0.503 1
1 631 . 7 1 1 A 59 59 ALA N N 59 119.932 124.280 -4.348 1
1 632 . 7 1 1 A 60 60 ARG H H 60 8.306 8.036 0.270 1
1 633 . 7 1 1 A 60 60 ARG HA H 60 4.559 4.693 -0.134 1
1 640 . 7 1 1 A 60 60 ARG C C 60 174.842 175.823 -0.981 1
1 641 . 7 1 1 A 60 60 ARG CA C 60 55.357 55.054 0.303 1
1 642 . 7 1 1 A 60 60 ARG CB C 60 32.823 32.042 0.781 1
1 645 . 7 1 1 A 60 60 ARG N N 60 118.739 115.925 2.814 1
1 646 . 7 1 1 A 61 61 SER H H 61 8.229 8.355 -0.126 1
1 647 . 7 1 1 A 61 61 SER HA H 61 3.709 4.433 -0.724 1
1 650 . 7 1 1 A 61 61 SER C C 61 170.973 172.339 -1.366 1
1 651 . 7 1 1 A 61 61 SER CA C 61 56.045 56.724 -0.679 1
1 652 . 7 1 1 A 61 61 SER CB C 61 63.329 62.908 0.421 1
1 653 . 7 1 1 A 61 61 SER N N 61 110.956 112.373 -1.417 1
1 654 . 7 1 1 A 62 62 HIS H H 62 6.458 6.985 -0.527 1
1 655 . 7 1 1 A 62 62 HIS HA H 62 4.626 4.067 0.559 1
1 660 . 7 1 1 A 62 62 HIS C C 62 173.581 173.180 0.401 1
1 661 . 7 1 1 A 62 62 HIS CA C 62 54.494 53.676 0.818 1
1 662 . 7 1 1 A 62 62 HIS CB C 62 32.485 31.877 0.608 1
1 665 . 7 1 1 A 62 62 HIS N N 62 113.571 116.095 -2.524 1
1 666 . 7 1 1 A 63 63 VAL H H 63 8.794 8.413 0.381 1
1 667 . 7 1 1 A 63 63 VAL HA H 63 4.325 4.573 -0.248 1
1 675 . 7 1 1 A 63 63 VAL C C 63 171.906 173.946 -2.040 1
1 676 . 7 1 1 A 63 63 VAL CA C 63 61.052 60.848 0.204 1
1 677 . 7 1 1 A 63 63 VAL CB C 63 34.800 34.689 0.111 1
1 680 . 7 1 1 A 63 63 VAL N N 63 118.122 119.120 -0.998 1
1 681 . 7 1 1 A 64 64 THR H H 64 8.316 8.635 -0.319 1
1 682 . 7 1 1 A 64 64 THR HA H 64 4.970 4.891 0.079 1
1 687 . 7 1 1 A 64 64 THR C C 64 173.412 173.433 -0.021 1
1 688 . 7 1 1 A 64 64 THR CA C 64 61.775 61.688 0.087 1
1 689 . 7 1 1 A 64 64 THR CB C 64 69.851 70.369 -0.518 1
1 691 . 7 1 1 A 64 64 THR N N 64 122.871 120.905 1.966 1
1 692 . 7 1 1 A 65 65 LEU H H 65 9.348 8.300 1.048 1
1 693 . 7 1 1 A 65 65 LEU HA H 65 4.584 4.695 -0.111 1
1 703 . 7 1 1 A 65 65 LEU C C 65 173.397 175.044 -1.647 1
1 704 . 7 1 1 A 65 65 LEU CA C 65 50.297 51.058 -0.761 1
1 705 . 7 1 1 A 65 65 LEU CB C 65 41.547 41.989 -0.442 1
1 709 . 7 1 1 A 65 65 LEU N N 65 129.778 128.274 1.504 1
1 710 . 7 1 1 A 66 66 PRO HA H 66 4.868 4.358 0.510 1
1 717 . 7 1 1 A 66 66 PRO C C 66 175.188 176.235 -1.047 1
1 718 . 7 1 1 A 66 66 PRO CA C 66 61.370 62.674 -1.304 1
1 719 . 7 1 1 A 66 66 PRO CB C 66 33.700 32.674 1.026 1
1 722 . 7 1 1 A 67 67 ASP H H 67 8.729 8.830 -0.101 1
1 723 . 7 1 1 A 67 67 ASP HA H 67 4.333 4.100 0.233 1
1 726 . 7 1 1 A 67 67 ASP C C 67 175.824 175.066 0.758 1
1 727 . 7 1 1 A 67 67 ASP CA C 67 55.181 54.722 0.459 1
1 728 . 7 1 1 A 67 67 ASP CB C 67 39.225 39.711 -0.486 1
1 729 . 7 1 1 A 67 67 ASP N N 67 113.984 116.234 -2.250 1
1 730 . 7 1 1 A 68 68 LEU H H 68 8.599 7.459 1.140 1
1 731 . 7 1 1 A 68 68 LEU HA H 68 4.414 4.711 -0.297 1
1 741 . 7 1 1 A 68 68 LEU C C 68 176.487 176.519 -0.032 1
1 742 . 7 1 1 A 68 68 LEU CA C 68 53.259 53.250 0.009 1
1 743 . 7 1 1 A 68 68 LEU CB C 68 41.630 43.901 -2.271 1
1 747 . 7 1 1 A 68 68 LEU N N 68 118.102 118.687 -0.585 1
1 748 . 7 1 1 A 69 69 GLN H H 69 8.114 8.374 -0.260 1
1 749 . 7 1 1 A 69 69 GLN HA H 69 4.349 4.836 -0.487 1
1 756 . 7 1 1 A 69 69 GLN C C 69 175.669 175.451 0.218 1
1 757 . 7 1 1 A 69 69 GLN CA C 69 54.722 54.769 -0.047 1
1 758 . 7 1 1 A 69 69 GLN CB C 69 30.803 31.028 -0.225 1
1 760 . 7 1 1 A 69 69 GLN N N 69 118.191 120.502 -2.311 1
1 762 . 7 1 1 A 70 70 ALA H H 70 8.240 8.720 -0.480 1
1 763 . 7 1 1 A 70 70 ALA HA H 70 4.835 4.960 -0.125 1
1 767 . 7 1 1 A 70 70 ALA C C 70 178.720 176.960 1.760 1
1 768 . 7 1 1 A 70 70 ALA CA C 70 52.501 50.483 2.018 1
1 769 . 7 1 1 A 70 70 ALA CB C 70 20.257 21.634 -1.377 1
1 770 . 7 1 1 A 70 70 ALA N N 70 124.989 121.431 3.558 1
1 771 . 7 1 1 A 71 71 ALA H H 71 8.003 8.461 -0.458 1
1 772 . 7 1 1 A 71 71 ALA HA H 71 3.974 3.847 0.127 1
1 776 . 7 1 1 A 71 71 ALA C C 71 176.118 176.021 0.097 1
1 777 . 7 1 1 A 71 71 ALA CA C 71 52.491 53.119 -0.628 1
1 778 . 7 1 1 A 71 71 ALA CB C 71 18.439 17.731 0.708 1
1 779 . 7 1 1 A 71 71 ALA N N 71 128.133 120.157 7.976 1
1 780 . 7 1 1 A 72 72 THR H H 72 8.391 8.105 0.286 1
1 781 . 7 1 1 A 72 72 THR HA H 72 4.563 4.743 -0.180 1
1 786 . 7 1 1 A 72 72 THR C C 72 172.643 174.124 -1.481 1
1 787 . 7 1 1 A 72 72 THR CA C 72 62.856 61.774 1.082 1
1 788 . 7 1 1 A 72 72 THR CB C 72 71.924 71.253 0.671 1
1 790 . 7 1 1 A 72 72 THR N N 72 114.280 111.316 2.964 1
1 791 . 7 1 1 A 73 73 LYS H H 73 8.691 8.437 0.254 1
1 792 . 7 1 1 A 73 73 LYS HA H 73 4.846 4.739 0.107 1
1 801 . 7 1 1 A 73 73 LYS C C 73 176.405 175.658 0.747 1
1 802 . 7 1 1 A 73 73 LYS CA C 73 55.992 55.988 0.004 1
1 803 . 7 1 1 A 73 73 LYS CB C 73 33.535 32.949 0.586 1
1 807 . 7 1 1 A 73 73 LYS N N 73 125.989 126.458 -0.469 1
1 808 . 7 1 1 A 74 74 TYR H H 74 9.569 8.667 0.902 1
1 809 . 7 1 1 A 74 74 TYR HA H 74 4.758 5.207 -0.449 1
1 816 . 7 1 1 A 74 74 TYR C C 74 173.567 174.849 -1.282 1
1 817 . 7 1 1 A 74 74 TYR CA C 74 58.778 56.595 2.183 1
1 818 . 7 1 1 A 74 74 TYR CB C 74 42.667 41.435 1.232 1
1 823 . 7 1 1 A 74 74 TYR N N 74 126.436 118.010 8.426 1
1 824 . 7 1 1 A 75 75 ARG H H 75 9.005 9.028 -0.023 1
1 825 . 7 1 1 A 75 75 ARG HA H 75 5.053 4.414 0.639 1
1 832 . 7 1 1 A 75 75 ARG C C 75 175.042 175.052 -0.010 1
1 833 . 7 1 1 A 75 75 ARG CA C 75 55.027 56.446 -1.419 1
1 834 . 7 1 1 A 75 75 ARG CB C 75 32.284 30.505 1.779 1
1 837 . 7 1 1 A 75 75 ARG N N 75 121.560 125.922 -4.362 1
1 838 . 7 1 1 A 76 76 VAL H H 76 9.127 8.922 0.205 1
1 839 . 7 1 1 A 76 76 VAL HA H 76 4.977 4.470 0.507 1
1 847 . 7 1 1 A 76 76 VAL C C 76 173.144 175.605 -2.461 1
1 848 . 7 1 1 A 76 76 VAL CA C 76 60.876 62.647 -1.771 1
1 849 . 7 1 1 A 76 76 VAL CB C 76 34.922 31.954 2.968 1
1 852 . 7 1 1 A 76 76 VAL N N 76 127.571 126.789 0.782 1
1 853 . 7 1 1 A 77 77 LEU H H 77 9.083 8.908 0.175 1
1 854 . 7 1 1 A 77 77 LEU HA H 77 5.350 5.416 -0.066 1
1 864 . 7 1 1 A 77 77 LEU C C 77 176.622 175.497 1.125 1
1 865 . 7 1 1 A 77 77 LEU CA C 77 53.911 53.375 0.536 1
1 866 . 7 1 1 A 77 77 LEU CB C 77 44.959 43.026 1.933 1
1 870 . 7 1 1 A 77 77 LEU N N 77 127.310 128.856 -1.546 1
1 871 . 7 1 1 A 78 78 VAL H H 78 8.918 8.736 0.182 1
1 872 . 7 1 1 A 78 78 VAL HA H 78 4.890 4.610 0.280 1
1 880 . 7 1 1 A 78 78 VAL C C 78 174.235 175.024 -0.789 1
1 881 . 7 1 1 A 78 78 VAL CA C 78 61.193 61.207 -0.014 1
1 882 . 7 1 1 A 78 78 VAL CB C 78 34.718 33.333 1.385 1
1 885 . 7 1 1 A 78 78 VAL N N 78 119.228 126.585 -7.357 1
1 886 . 7 1 1 A 79 79 SER H H 79 8.598 8.504 0.094 1
1 887 . 7 1 1 A 79 79 SER HA H 79 4.725 5.144 -0.419 1
1 890 . 7 1 1 A 79 79 SER C C 79 172.877 172.293 0.584 1
1 891 . 7 1 1 A 79 79 SER CA C 79 56.680 57.092 -0.412 1
1 892 . 7 1 1 A 79 79 SER CB C 79 65.806 66.334 -0.528 1
1 893 . 7 1 1 A 79 79 SER N N 79 119.664 120.347 -0.683 1
1 894 . 7 1 1 A 80 80 ALA H H 80 8.939 8.265 0.674 1
1 895 . 7 1 1 A 80 80 ALA HA H 80 4.325 4.800 -0.475 1
1 899 . 7 1 1 A 80 80 ALA C C 80 174.050 176.266 -2.216 1
1 900 . 7 1 1 A 80 80 ALA CA C 80 51.126 51.107 0.019 1
1 901 . 7 1 1 A 80 80 ALA CB C 80 21.990 20.032 1.958 1
1 902 . 7 1 1 A 80 80 ALA N N 80 126.283 126.991 -0.708 1
1 903 . 7 1 1 A 81 81 ILE H H 81 8.424 8.461 -0.037 1
1 904 . 7 1 1 A 81 81 ILE HA H 81 4.116 4.556 -0.440 1
1 914 . 7 1 1 A 81 81 ILE C C 81 173.862 174.420 -0.558 1
1 915 . 7 1 1 A 81 81 ILE CA C 81 61.175 60.110 1.065 1
1 916 . 7 1 1 A 81 81 ILE CB C 81 36.015 38.269 -2.254 1
1 920 . 7 1 1 A 81 81 ILE N N 81 123.033 123.162 -0.129 1
1 921 . 7 1 1 A 82 82 TYR H H 82 8.377 9.281 -0.904 1
1 922 . 7 1 1 A 82 82 TYR HA H 82 4.681 4.843 -0.162 1
1 929 . 7 1 1 A 82 82 TYR C C 82 176.146 176.642 -0.496 1
1 930 . 7 1 1 A 82 82 TYR CA C 82 56.309 57.092 -0.783 1
1 931 . 7 1 1 A 82 82 TYR CB C 82 40.734 41.625 -0.891 1
1 936 . 7 1 1 A 82 82 TYR N N 82 125.168 126.461 -1.293 1
1 937 . 7 1 1 A 83 83 ALA H H 83 9.437 9.070 0.367 1
1 938 . 7 1 1 A 83 83 ALA HA H 83 4.059 4.078 -0.019 1
1 942 . 7 1 1 A 83 83 ALA C C 83 179.312 179.938 -0.626 1
1 943 . 7 1 1 A 83 83 ALA CA C 83 55.729 55.421 0.308 1
1 944 . 7 1 1 A 83 83 ALA CB C 83 17.613 18.290 -0.677 1
1 945 . 7 1 1 A 83 83 ALA N N 83 125.234 124.224 1.010 1
1 946 . 7 1 1 A 84 84 ALA H H 84 7.823 7.889 -0.066 1
1 947 . 7 1 1 A 84 84 ALA HA H 84 4.434 4.199 0.235 1
1 951 . 7 1 1 A 84 84 ALA C C 84 176.808 177.629 -0.821 1
1 952 . 7 1 1 A 84 84 ALA CA C 84 51.936 54.527 -2.591 1
1 953 . 7 1 1 A 84 84 ALA CB C 84 19.514 19.773 -0.259 1
1 954 . 7 1 1 A 84 84 ALA N N 84 114.587 119.728 -5.141 1
1 955 . 7 1 1 A 85 85 GLY H H 85 7.366 7.429 -0.063 1
1 956 . 7 1 1 A 85 85 GLY HA2 H 85 4.362 4.031 0.331 1
1 957 . 7 1 1 A 85 85 GLY HA3 H 85 3.835 4.041 -0.206 1
1 958 . 7 1 1 A 85 85 GLY C C 85 171.544 171.903 -0.359 1
1 959 . 7 1 1 A 85 85 GLY CA C 85 44.576 45.750 -1.174 1
1 960 . 7 1 1 A 85 85 GLY N N 85 105.342 101.950 3.392 1
1 961 . 7 1 1 A 86 86 ARG H H 86 8.626 8.500 0.126 1
1 962 . 7 1 1 A 86 86 ARG HA H 86 5.263 5.502 -0.239 1
1 969 . 7 1 1 A 86 86 ARG C C 86 176.925 175.917 1.008 1
1 970 . 7 1 1 A 86 86 ARG CA C 86 54.863 55.198 -0.335 1
1 971 . 7 1 1 A 86 86 ARG CB C 86 33.491 32.268 1.223 1
1 974 . 7 1 1 A 86 86 ARG N N 86 118.147 117.168 0.979 1
1 975 . 7 1 1 A 87 87 SER H H 87 9.496 9.258 0.238 1
1 976 . 7 1 1 A 87 87 SER HA H 87 4.747 4.658 0.089 1
1 979 . 7 1 1 A 87 87 SER C C 87 174.538 174.438 0.100 1
1 980 . 7 1 1 A 87 87 SER CA C 87 58.284 57.844 0.440 1
1 981 . 7 1 1 A 87 87 SER CB C 87 67.271 65.362 1.909 1
1 982 . 7 1 1 A 87 87 SER N N 87 119.835 114.967 4.868 1
1 983 . 7 1 1 A 88 88 GLU H H 88 9.058 8.568 0.490 1
1 984 . 7 1 1 A 88 88 GLU HA H 88 4.342 4.210 0.132 1
1 989 . 7 1 1 A 88 88 GLU C C 88 176.157 175.926 0.231 1
1 990 . 7 1 1 A 88 88 GLU CA C 88 56.874 56.278 0.596 1
1 991 . 7 1 1 A 88 88 GLU CB C 88 30.350 30.063 0.287 1
1 993 . 7 1 1 A 88 88 GLU N N 88 119.700 120.241 -0.541 1
1 994 . 7 1 1 A 89 89 ALA H H 89 8.674 8.586 0.088 1
1 995 . 7 1 1 A 89 89 ALA HA H 89 4.918 5.394 -0.476 1
1 999 . 7 1 1 A 89 89 ALA C C 89 178.887 176.123 2.764 1
1 1000 . 7 1 1 A 89 89 ALA CA C 89 51.340 50.237 1.103 1
1 1001 . 7 1 1 A 89 89 ALA CB C 89 20.130 21.341 -1.211 1
1 1002 . 7 1 1 A 89 89 ALA N N 89 125.485 123.315 2.170 1
1 1003 . 7 1 1 A 90 90 VAL H H 90 8.621 8.455 0.166 1
1 1004 . 7 1 1 A 90 90 VAL HA H 90 4.562 4.831 -0.269 1
1 1012 . 7 1 1 A 90 90 VAL C C 90 174.251 175.550 -1.299 1
1 1013 . 7 1 1 A 90 90 VAL CA C 90 60.365 60.543 -0.178 1
1 1014 . 7 1 1 A 90 90 VAL CB C 90 33.770 33.376 0.394 1
1 1017 . 7 1 1 A 90 90 VAL N N 90 119.440 119.556 -0.116 1
1 1018 . 7 1 1 A 91 91 SER H H 91 8.373 8.808 -0.435 1
1 1019 . 7 1 1 A 91 91 SER HA H 91 5.877 5.194 0.683 1
1 1022 . 7 1 1 A 91 91 SER C C 91 174.245 173.724 0.521 1
1 1023 . 7 1 1 A 91 91 SER CA C 91 56.109 57.050 -0.941 1
1 1024 . 7 1 1 A 91 91 SER CB C 91 67.620 64.999 2.621 1
1 1025 . 7 1 1 A 91 91 SER N N 91 116.084 120.646 -4.562 1
1 1026 . 7 1 1 A 92 92 ALA H H 92 8.900 8.727 0.173 1
1 1027 . 7 1 1 A 92 92 ALA HA H 92 4.681 4.945 -0.264 1
1 1031 . 7 1 1 A 92 92 ALA C C 92 175.187 176.243 -1.056 1
1 1032 . 7 1 1 A 92 92 ALA CA C 92 51.990 51.972 0.018 1
1 1033 . 7 1 1 A 92 92 ALA CB C 92 23.056 20.888 2.168 1
1 1034 . 7 1 1 A 92 92 ALA N N 92 123.885 122.158 1.727 1
1 1035 . 7 1 1 A 93 93 THR H H 93 8.466 8.618 -0.152 1
1 1036 . 7 1 1 A 93 93 THR HA H 93 5.623 5.111 0.512 1
1 1041 . 7 1 1 A 93 93 THR C C 93 174.366 174.231 0.135 1
1 1042 . 7 1 1 A 93 93 THR CA C 93 60.154 60.603 -0.449 1
1 1043 . 7 1 1 A 93 93 THR CB C 93 71.657 70.183 1.474 1
1 1045 . 7 1 1 A 93 93 THR N N 93 112.591 115.779 -3.188 1
1 1046 . 7 1 1 A 94 94 GLY H H 94 8.657 8.885 -0.228 1
1 1047 . 7 1 1 A 94 94 GLY HA2 H 94 4.483 4.250 0.233 1
1 1048 . 7 1 1 A 94 94 GLY HA3 H 94 3.625 4.262 -0.637 1
1 1049 . 7 1 1 A 94 94 GLY C C 94 170.518 173.359 -2.841 1
1 1050 . 7 1 1 A 94 94 GLY CA C 94 44.849 44.880 -0.031 1
1 1051 . 7 1 1 A 94 94 GLY N N 94 111.375 110.924 0.451 1
1 1052 . 7 1 1 A 95 95 GLN H H 95 8.667 8.794 -0.127 1
1 1053 . 7 1 1 A 95 95 GLN HA H 95 5.491 4.331 1.160 1
1 1060 . 7 1 1 A 95 95 GLN C C 95 176.226 175.344 0.882 1
1 1061 . 7 1 1 A 95 95 GLN CA C 95 54.000 56.638 -2.638 1
1 1062 . 7 1 1 A 95 95 GLN CB C 95 32.822 29.394 3.428 1
1 1064 . 7 1 1 A 95 95 GLN N N 95 120.893 126.093 -5.200 1
1 1066 . 7 1 1 A 96 96 THR H H 96 8.609 8.575 0.034 1
1 1067 . 7 1 1 A 96 96 THR HA H 96 4.384 4.921 -0.537 1
1 1072 . 7 1 1 A 96 96 THR C C 96 175.194 174.868 0.326 1
1 1073 . 7 1 1 A 96 96 THR CA C 96 60.783 60.907 -0.124 1
1 1074 . 7 1 1 A 96 96 THR CB C 96 70.198 71.542 -1.344 1
1 1076 . 7 1 1 A 96 96 THR N N 96 115.777 115.191 0.586 1
1 1077 . 7 1 1 A 97 97 ALA H H 97 8.009 8.384 -0.375 1
1 1078 . 7 1 1 A 97 97 ALA HA H 97 4.186 4.397 -0.211 1
1 1082 . 7 1 1 A 97 97 ALA C C 97 176.174 177.040 -0.866 1
1 1083 . 7 1 1 A 97 97 ALA CA C 97 52.077 51.625 0.452 1
1 1084 . 7 1 1 A 97 97 ALA CB C 97 19.001 20.227 -1.226 1
1 1085 . 7 1 1 A 97 97 ALA N N 97 120.015 122.684 -2.669 1
1 1086 . 7 1 1 A 98 98 CYS H H 98 8.239 8.609 -0.370 1
1 1087 . 7 1 1 A 98 98 CYS HA H 98 4.705 5.053 -0.348 1
1 1090 . 7 1 1 A 98 98 CYS C C 98 173.203 175.188 -1.985 1
1 1091 . 7 1 1 A 98 98 CYS CA C 98 56.644 57.054 -0.410 1
1 1092 . 7 1 1 A 98 98 CYS CB C 98 27.357 29.338 -1.981 1
1 1093 . 7 1 1 A 98 98 CYS N N 98 116.874 116.833 0.041 1
1 1094 . 7 1 1 A 99 99 PRO HA H 99 4.421 4.348 0.073 1
1 1101 . 7 1 1 A 99 99 PRO CA C 99 63.337 64.546 -1.209 1
1 1102 . 7 1 1 A 99 99 PRO CB C 99 32.132 31.911 0.221 1
1 1105 . 7 1 1 A 100 100 SER H H 100 8.463 8.074 0.389 1
1 1106 . 7 1 1 A 100 100 SER HA H 100 4.470 4.091 0.379 1
1 1109 . 7 1 1 A 100 100 SER CA C 100 58.453 59.291 -0.838 1
1 1110 . 7 1 1 A 100 100 SER CB C 100 64.023 61.991 2.032 1
1 1111 . 7 1 1 A 100 100 SER N N 100 116.426 113.847 2.579 1
1 1112 . 7 1 1 A 101 101 GLY H H 101 8.237 8.532 -0.295 1
1 1113 . 7 1 1 A 101 101 GLY HA2 H 101 4.165 3.847 0.318 1
1 1114 . 7 1 1 A 101 101 GLY HA3 H 101 4.100 3.847 0.253 1
1 1115 . 7 1 1 A 101 101 GLY CA C 101 44.647 46.461 -1.814 1
1 1116 . 7 1 1 A 101 101 GLY N N 101 110.731 107.793 2.938 1
1 1117 . 7 1 1 A 102 102 PRO HA H 102 4.484 4.426 0.058 1
1 1123 . 7 1 1 A 102 102 PRO CA C 102 63.069 64.956 -1.887 1
1 1124 . 7 1 1 A 102 102 PRO CB C 102 32.189 31.397 0.792 1
1 1127 . 7 1 1 A 103 103 SER H H 103 8.540 7.407 1.133 1
1 1 . 8 1 1 A 5 5 SER N N 5 119.122 116.235 2.887 1
1 2 . 8 1 1 A 6 6 SER N N 6 123.945 117.935 6.010 1
1 3 . 8 1 1 A 7 7 GLY HA2 H 7 3.813 3.875 -0.062 1
1 4 . 8 1 1 A 7 7 GLY HA3 H 7 3.813 3.907 -0.094 1
1 5 . 8 1 1 A 7 7 GLY CA C 7 45.375 45.520 -0.145 1
1 6 . 8 1 1 A 8 8 ARG H H 8 7.999 7.751 0.248 1
1 7 . 8 1 1 A 8 8 ARG HA H 8 3.712 3.543 0.169 1
1 14 . 8 1 1 A 8 8 ARG CA C 8 54.185 56.100 -1.915 1
1 15 . 8 1 1 A 8 8 ARG CB C 8 29.555 31.447 -1.892 1
1 18 . 8 1 1 A 8 8 ARG N N 8 121.209 121.342 -0.133 1
1 19 . 8 1 1 A 9 9 SER H H 9 7.810 8.348 -0.538 1
1 20 . 8 1 1 A 9 9 SER HA H 9 4.725 4.946 -0.221 1
1 23 . 8 1 1 A 9 9 SER CA C 9 58.455 54.866 3.589 1
1 24 . 8 1 1 A 9 9 SER CB C 9 62.966 65.791 -2.825 1
1 25 . 8 1 1 A 9 9 SER N N 9 118.072 119.316 -1.244 1
1 26 . 8 1 1 A 10 10 PRO HA H 10 5.182 5.031 0.151 1
1 33 . 8 1 1 A 10 10 PRO CA C 10 61.759 61.352 0.407 1
1 34 . 8 1 1 A 10 10 PRO CB C 10 30.280 31.709 -1.429 1
1 37 . 8 1 1 A 11 11 PRO HA H 11 4.567 4.749 -0.182 1
1 44 . 8 1 1 A 11 11 PRO C C 11 173.556 176.145 -2.589 1
1 45 . 8 1 1 A 11 11 PRO CA C 11 62.674 62.726 -0.052 1
1 46 . 8 1 1 A 11 11 PRO CB C 11 33.026 31.714 1.312 1
1 49 . 8 1 1 A 12 12 SER H H 12 8.427 8.706 -0.279 1
1 50 . 8 1 1 A 12 12 SER HA H 12 4.890 4.996 -0.106 1
1 53 . 8 1 1 A 12 12 SER C C 12 173.115 173.806 -0.691 1
1 54 . 8 1 1 A 12 12 SER CA C 12 56.556 57.205 -0.649 1
1 55 . 8 1 1 A 12 12 SER CB C 12 66.882 66.359 0.523 1
1 56 . 8 1 1 A 12 12 SER N N 12 111.345 118.031 -6.686 1
1 57 . 8 1 1 A 13 13 ASN H H 13 8.973 8.813 0.160 1
1 58 . 8 1 1 A 13 13 ASN HA H 13 4.318 4.288 0.030 1
1 63 . 8 1 1 A 13 13 ASN C C 13 173.850 174.728 -0.878 1
1 64 . 8 1 1 A 13 13 ASN CA C 13 53.928 54.161 -0.233 1
1 65 . 8 1 1 A 13 13 ASN CB C 13 37.365 36.945 0.420 1
1 66 . 8 1 1 A 13 13 ASN N N 13 115.970 116.867 -0.897 1
1 68 . 8 1 1 A 14 14 LEU H H 14 8.223 8.215 0.008 1
1 69 . 8 1 1 A 14 14 LEU HA H 14 4.857 4.487 0.370 1
1 79 . 8 1 1 A 14 14 LEU C C 14 176.725 177.208 -0.483 1
1 80 . 8 1 1 A 14 14 LEU CA C 14 56.115 56.178 -0.063 1
1 81 . 8 1 1 A 14 14 LEU CB C 14 42.621 41.871 0.750 1
1 85 . 8 1 1 A 14 14 LEU N N 14 119.681 119.899 -0.218 1
1 86 . 8 1 1 A 15 15 ALA H H 15 9.364 8.502 0.862 1
1 87 . 8 1 1 A 15 15 ALA HA H 15 4.736 5.154 -0.418 1
1 91 . 8 1 1 A 15 15 ALA C C 15 175.056 175.362 -0.306 1
1 92 . 8 1 1 A 15 15 ALA CA C 15 51.496 50.812 0.684 1
1 93 . 8 1 1 A 15 15 ALA CB C 15 22.285 21.321 0.964 1
1 94 . 8 1 1 A 15 15 ALA N N 15 130.359 126.165 4.194 1
1 95 . 8 1 1 A 16 16 LEU H H 16 8.448 9.248 -0.800 1
1 96 . 8 1 1 A 16 16 LEU HA H 16 5.385 5.144 0.241 1
1 106 . 8 1 1 A 16 16 LEU C C 16 175.868 175.679 0.189 1
1 107 . 8 1 1 A 16 16 LEU CA C 16 53.224 53.804 -0.580 1
1 108 . 8 1 1 A 16 16 LEU CB C 16 45.061 42.321 2.740 1
1 112 . 8 1 1 A 16 16 LEU N N 16 120.470 124.085 -3.615 1
1 113 . 8 1 1 A 17 17 ALA H H 17 8.737 9.388 -0.651 1
1 114 . 8 1 1 A 17 17 ALA HA H 17 4.620 5.204 -0.584 1
1 118 . 8 1 1 A 17 17 ALA C C 17 175.371 175.178 0.193 1
1 119 . 8 1 1 A 17 17 ALA CA C 17 51.249 50.312 0.937 1
1 120 . 8 1 1 A 17 17 ALA CB C 17 22.570 20.942 1.628 1
1 121 . 8 1 1 A 17 17 ALA N N 17 124.938 128.465 -3.527 1
1 122 . 8 1 1 A 18 18 SER H H 18 8.675 8.860 -0.185 1
1 123 . 8 1 1 A 18 18 SER HA H 18 5.021 4.687 0.334 1
1 126 . 8 1 1 A 18 18 SER C C 18 174.678 174.354 0.324 1
1 127 . 8 1 1 A 18 18 SER CA C 18 57.244 57.033 0.211 1
1 128 . 8 1 1 A 18 18 SER CB C 18 64.200 63.336 0.864 1
1 129 . 8 1 1 A 18 18 SER N N 18 113.933 118.655 -4.722 1
1 130 . 8 1 1 A 19 19 GLU H H 19 9.743 8.733 1.010 1
1 131 . 8 1 1 A 19 19 GLU HA H 19 4.466 4.481 -0.015 1
1 136 . 8 1 1 A 19 19 GLU C C 19 176.368 176.264 0.104 1
1 137 . 8 1 1 A 19 19 GLU CA C 19 56.295 57.739 -1.444 1
1 138 . 8 1 1 A 19 19 GLU CB C 19 31.532 31.641 -0.109 1
1 140 . 8 1 1 A 19 19 GLU N N 19 127.234 126.830 0.404 1
1 141 . 8 1 1 A 20 20 THR H H 20 7.759 7.565 0.194 1
1 142 . 8 1 1 A 20 20 THR HA H 20 4.935 4.673 0.262 1
1 147 . 8 1 1 A 20 20 THR C C 20 171.770 173.772 -2.002 1
1 148 . 8 1 1 A 20 20 THR CA C 20 58.337 58.342 -0.005 1
1 149 . 8 1 1 A 20 20 THR CB C 20 69.869 71.727 -1.858 1
1 151 . 8 1 1 A 20 20 THR N N 20 109.600 111.108 -1.508 1
1 152 . 8 1 1 A 21 21 PRO HA H 21 4.587 4.528 0.059 1
1 159 . 8 1 1 A 21 21 PRO C C 21 173.647 176.168 -2.521 1
1 160 . 8 1 1 A 21 21 PRO CA C 21 64.332 64.114 0.218 1
1 161 . 8 1 1 A 21 21 PRO CB C 21 32.380 31.493 0.887 1
1 164 . 8 1 1 A 22 22 ASP H H 22 7.420 8.241 -0.821 1
1 165 . 8 1 1 A 22 22 ASP HA H 22 4.648 5.127 -0.479 1
1 168 . 8 1 1 A 22 22 ASP C C 22 175.838 175.414 0.424 1
1 169 . 8 1 1 A 22 22 ASP CA C 22 51.037 54.116 -3.079 1
1 170 . 8 1 1 A 22 22 ASP CB C 22 42.177 42.652 -0.475 1
1 171 . 8 1 1 A 22 22 ASP N N 22 107.201 117.619 -10.418 1
1 172 . 8 1 1 A 23 23 SER H H 23 7.729 7.653 0.076 1
1 173 . 8 1 1 A 23 23 SER HA H 23 5.474 5.006 0.468 1
1 176 . 8 1 1 A 23 23 SER C C 23 171.887 172.208 -0.321 1
1 177 . 8 1 1 A 23 23 SER CA C 23 57.481 57.447 0.034 1
1 178 . 8 1 1 A 23 23 SER CB C 23 68.168 67.226 0.942 1
1 179 . 8 1 1 A 23 23 SER N N 23 112.046 113.943 -1.897 1
1 180 . 8 1 1 A 24 24 LEU H H 24 7.884 8.151 -0.267 1
1 181 . 8 1 1 A 24 24 LEU HA H 24 4.769 4.733 0.036 1
1 191 . 8 1 1 A 24 24 LEU C C 24 174.542 174.858 -0.316 1
1 192 . 8 1 1 A 24 24 LEU CA C 24 53.576 54.134 -0.558 1
1 193 . 8 1 1 A 24 24 LEU CB C 24 47.616 45.352 2.264 1
1 197 . 8 1 1 A 24 24 LEU N N 24 119.324 123.686 -4.362 1
1 198 . 8 1 1 A 25 25 GLN H H 25 9.356 9.077 0.279 1
1 199 . 8 1 1 A 25 25 GLN HA H 25 4.747 4.499 0.248 1
1 206 . 8 1 1 A 25 25 GLN C C 25 174.824 175.027 -0.203 1
1 207 . 8 1 1 A 25 25 GLN CA C 25 55.533 56.173 -0.640 1
1 208 . 8 1 1 A 25 25 GLN CB C 25 29.759 29.706 0.053 1
1 210 . 8 1 1 A 25 25 GLN N N 25 124.019 128.049 -4.030 1
1 212 . 8 1 1 A 26 26 VAL H H 26 9.020 8.584 0.436 1
1 213 . 8 1 1 A 26 26 VAL HA H 26 4.824 4.992 -0.168 1
1 221 . 8 1 1 A 26 26 VAL C C 26 174.556 173.808 0.748 1
1 222 . 8 1 1 A 26 26 VAL CA C 26 60.629 60.237 0.392 1
1 223 . 8 1 1 A 26 26 VAL CB C 26 33.355 35.394 -2.039 1
1 226 . 8 1 1 A 26 26 VAL N N 26 127.649 123.765 3.884 1
1 227 . 8 1 1 A 27 27 SER H H 27 9.056 8.864 0.192 1
1 228 . 8 1 1 A 27 27 SER HA H 27 4.857 5.065 -0.208 1
1 231 . 8 1 1 A 27 27 SER C C 27 172.328 173.138 -0.810 1
1 232 . 8 1 1 A 27 27 SER CA C 27 57.138 55.974 1.164 1
1 233 . 8 1 1 A 27 27 SER CB C 27 66.864 66.360 0.504 1
1 234 . 8 1 1 A 27 27 SER N N 27 119.826 121.764 -1.938 1
1 235 . 8 1 1 A 28 28 TRP H H 28 7.584 7.906 -0.322 1
1 236 . 8 1 1 A 28 28 TRP HA H 28 5.022 5.314 -0.292 1
1 245 . 8 1 1 A 28 28 TRP C C 28 174.055 172.950 1.105 1
1 246 . 8 1 1 A 28 28 TRP CA C 28 56.609 55.657 0.952 1
1 247 . 8 1 1 A 28 28 TRP CB C 28 29.814 31.212 -1.398 1
1 253 . 8 1 1 A 28 28 TRP N N 28 115.280 118.200 -2.920 1
1 255 . 8 1 1 A 29 29 THR H H 29 9.293 9.052 0.241 1
1 256 . 8 1 1 A 29 29 THR HA H 29 4.865 4.810 0.055 1
1 261 . 8 1 1 A 29 29 THR C C 29 173.203 173.657 -0.454 1
1 262 . 8 1 1 A 29 29 THR CA C 29 59.889 59.465 0.424 1
1 263 . 8 1 1 A 29 29 THR CB C 29 69.774 69.705 0.069 1
1 265 . 8 1 1 A 29 29 THR N N 29 117.164 115.556 1.608 1
1 266 . 8 1 1 A 30 30 PRO HA H 30 4.809 4.945 -0.136 1
1 273 . 8 1 1 A 30 30 PRO CA C 30 61.701 61.823 -0.122 1
1 274 . 8 1 1 A 30 30 PRO CB C 30 32.114 32.067 0.047 1
1 277 . 8 1 1 A 31 31 PRO HA H 31 4.703 4.733 -0.030 1
1 284 . 8 1 1 A 31 31 PRO C C 31 175.384 176.582 -1.198 1
1 285 . 8 1 1 A 31 31 PRO CA C 31 61.793 62.443 -0.650 1
1 286 . 8 1 1 A 31 31 PRO CB C 31 32.822 33.454 -0.632 1
1 289 . 8 1 1 A 32 32 LEU H H 32 8.312 8.610 -0.298 1
1 290 . 8 1 1 A 32 32 LEU HA H 32 4.333 4.491 -0.158 1
1 300 . 8 1 1 A 32 32 LEU C C 32 177.793 178.268 -0.475 1
1 301 . 8 1 1 A 32 32 LEU CA C 32 55.851 56.895 -1.044 1
1 302 . 8 1 1 A 32 32 LEU CB C 32 41.968 43.470 -1.502 1
1 306 . 8 1 1 A 32 32 LEU N N 32 119.044 120.250 -1.206 1
1 307 . 8 1 1 A 33 33 GLY H H 33 8.147 7.852 0.295 1
1 308 . 8 1 1 A 33 33 GLY HA2 H 33 4.210 4.060 0.150 1
1 309 . 8 1 1 A 33 33 GLY HA3 H 33 4.051 4.080 -0.029 1
1 310 . 8 1 1 A 33 33 GLY C C 33 172.971 173.101 -0.130 1
1 311 . 8 1 1 A 33 33 GLY CA C 33 44.216 45.577 -1.361 1
1 312 . 8 1 1 A 33 33 GLY N N 33 107.917 107.469 0.448 1
1 313 . 8 1 1 A 34 34 ARG H H 34 8.671 8.434 0.237 1
1 314 . 8 1 1 A 34 34 ARG HA H 34 4.405 4.504 -0.099 1
1 321 . 8 1 1 A 34 34 ARG C C 34 174.517 175.245 -0.728 1
1 322 . 8 1 1 A 34 34 ARG CA C 34 55.339 56.591 -1.252 1
1 323 . 8 1 1 A 34 34 ARG CB C 34 29.137 30.703 -1.566 1
1 326 . 8 1 1 A 34 34 ARG N N 34 121.152 123.041 -1.889 1
1 327 . 8 1 1 A 35 35 VAL H H 35 7.825 8.508 -0.683 1
1 328 . 8 1 1 A 35 35 VAL HA H 35 3.060 4.507 -1.447 1
1 336 . 8 1 1 A 35 35 VAL C C 35 176.613 175.442 1.171 1
1 337 . 8 1 1 A 35 35 VAL CA C 35 62.505 60.247 2.258 1
1 338 . 8 1 1 A 35 35 VAL CB C 35 32.534 32.739 -0.205 1
1 341 . 8 1 1 A 35 35 VAL N N 35 126.379 128.128 -1.749 1
1 342 . 8 1 1 A 36 36 LEU H H 36 8.874 8.315 0.559 1
1 343 . 8 1 1 A 36 36 LEU HA H 36 4.176 4.056 0.120 1
1 353 . 8 1 1 A 36 36 LEU C C 36 177.540 176.906 0.634 1
1 354 . 8 1 1 A 36 36 LEU CA C 36 57.050 57.998 -0.948 1
1 355 . 8 1 1 A 36 36 LEU CB C 36 41.723 42.478 -0.755 1
1 359 . 8 1 1 A 36 36 LEU N N 36 127.956 131.119 -3.163 1
1 360 . 8 1 1 A 37 37 HIS H H 37 7.231 7.468 -0.237 1
1 361 . 8 1 1 A 37 37 HIS HA H 37 4.615 5.120 -0.505 1
1 366 . 8 1 1 A 37 37 HIS C C 37 171.558 171.719 -0.161 1
1 367 . 8 1 1 A 37 37 HIS CA C 37 55.005 54.186 0.819 1
1 368 . 8 1 1 A 37 37 HIS CB C 37 32.039 32.494 -0.455 1
1 371 . 8 1 1 A 37 37 HIS N N 37 112.948 113.170 -0.222 1
1 372 . 8 1 1 A 38 38 TYR H H 38 9.836 8.754 1.082 1
1 373 . 8 1 1 A 38 38 TYR HA H 38 5.165 5.031 0.134 1
1 378 . 8 1 1 A 38 38 TYR C C 38 174.934 174.793 0.141 1
1 379 . 8 1 1 A 38 38 TYR CA C 38 56.698 56.472 0.226 1
1 380 . 8 1 1 A 38 38 TYR CB C 38 40.251 39.298 0.953 1
1 385 . 8 1 1 A 38 38 TYR N N 38 116.581 116.956 -0.375 1
1 386 . 8 1 1 A 39 39 TRP H H 39 8.984 8.558 0.426 1
1 387 . 8 1 1 A 39 39 TRP HA H 39 5.307 4.991 0.316 1
1 396 . 8 1 1 A 39 39 TRP C C 39 173.996 175.245 -1.249 1
1 397 . 8 1 1 A 39 39 TRP CA C 39 55.798 56.789 -0.991 1
1 398 . 8 1 1 A 39 39 TRP CB C 39 31.998 29.354 2.644 1
1 404 . 8 1 1 A 39 39 TRP N N 39 124.201 128.399 -4.198 1
1 406 . 8 1 1 A 40 40 LEU H H 40 8.695 8.394 0.301 1
1 407 . 8 1 1 A 40 40 LEU HA H 40 5.636 4.705 0.931 1
1 417 . 8 1 1 A 40 40 LEU C C 40 175.416 175.079 0.337 1
1 418 . 8 1 1 A 40 40 LEU CA C 40 54.030 53.873 0.157 1
1 419 . 8 1 1 A 40 40 LEU CB C 40 44.846 44.171 0.675 1
1 423 . 8 1 1 A 40 40 LEU N N 40 132.690 129.731 2.959 1
1 424 . 8 1 1 A 41 41 THR H H 41 9.103 8.764 0.339 1
1 425 . 8 1 1 A 41 41 THR HA H 41 5.341 4.823 0.518 1
1 430 . 8 1 1 A 41 41 THR C C 41 173.042 172.826 0.216 1
1 431 . 8 1 1 A 41 41 THR CA C 41 60.118 60.344 -0.226 1
1 432 . 8 1 1 A 41 41 THR CB C 41 71.493 70.659 0.834 1
1 434 . 8 1 1 A 41 41 THR N N 41 117.923 115.096 2.827 1
1 435 . 8 1 1 A 42 42 TYR H H 42 9.073 8.666 0.407 1
1 436 . 8 1 1 A 42 42 TYR HA H 42 5.915 6.100 -0.185 1
1 443 . 8 1 1 A 42 42 TYR C C 42 173.637 174.115 -0.478 1
1 444 . 8 1 1 A 42 42 TYR CA C 42 55.146 55.159 -0.013 1
1 445 . 8 1 1 A 42 42 TYR CB C 42 42.124 42.121 0.003 1
1 450 . 8 1 1 A 42 42 TYR N N 42 118.958 121.422 -2.464 1
1 451 . 8 1 1 A 43 43 ALA H H 43 8.508 8.790 -0.282 1
1 452 . 8 1 1 A 43 43 ALA HA H 43 5.099 4.621 0.478 1
1 456 . 8 1 1 A 43 43 ALA C C 43 173.859 176.806 -2.947 1
1 457 . 8 1 1 A 43 43 ALA CA C 43 50.156 50.221 -0.065 1
1 458 . 8 1 1 A 43 43 ALA CB C 43 21.455 22.368 -0.913 1
1 459 . 8 1 1 A 43 43 ALA N N 43 122.386 121.205 1.181 1
1 460 . 8 1 1 A 44 44 PRO HA H 44 4.079 3.996 0.083 1
1 467 . 8 1 1 A 44 44 PRO C C 44 178.191 176.445 1.746 1
1 468 . 8 1 1 A 44 44 PRO CA C 44 63.194 63.582 -0.388 1
1 469 . 8 1 1 A 44 44 PRO CB C 44 31.525 31.901 -0.376 1
1 472 . 8 1 1 A 45 45 ALA H H 45 8.934 7.882 1.052 1
1 473 . 8 1 1 A 45 45 ALA HA H 45 3.965 3.906 0.059 1
1 477 . 8 1 1 A 45 45 ALA C C 45 177.272 175.867 1.405 1
1 478 . 8 1 1 A 45 45 ALA CA C 45 53.911 53.076 0.835 1
1 479 . 8 1 1 A 45 45 ALA CB C 45 18.221 17.657 0.564 1
1 480 . 8 1 1 A 45 45 ALA N N 45 129.632 120.593 9.039 1
1 481 . 8 1 1 A 46 46 SER H H 46 8.311 7.441 0.870 1
1 482 . 8 1 1 A 46 46 SER HA H 46 4.193 4.818 -0.625 1
1 485 . 8 1 1 A 46 46 SER C C 46 175.546 173.309 2.237 1
1 486 . 8 1 1 A 46 46 SER CA C 46 58.584 57.526 1.058 1
1 487 . 8 1 1 A 46 46 SER CB C 46 63.543 65.700 -2.157 1
1 488 . 8 1 1 A 46 46 SER N N 46 111.878 108.034 3.844 1
1 489 . 8 1 1 A 47 47 GLY H H 47 7.743 8.943 -1.200 1
1 490 . 8 1 1 A 47 47 GLY HA2 H 47 4.203 3.882 0.321 1
1 491 . 8 1 1 A 47 47 GLY HA3 H 47 3.840 3.884 -0.044 1
1 492 . 8 1 1 A 47 47 GLY C C 47 174.463 174.152 0.311 1
1 493 . 8 1 1 A 47 47 GLY CA C 47 45.501 47.283 -1.782 1
1 494 . 8 1 1 A 47 47 GLY N N 47 108.526 108.791 -0.265 1
1 495 . 8 1 1 A 48 48 LEU H H 48 7.794 8.492 -0.698 1
1 496 . 8 1 1 A 48 48 LEU HA H 48 4.448 4.499 -0.051 1
1 506 . 8 1 1 A 48 48 LEU C C 48 176.668 176.303 0.365 1
1 507 . 8 1 1 A 48 48 LEU CA C 48 54.470 55.771 -1.301 1
1 508 . 8 1 1 A 48 48 LEU CB C 48 41.445 44.359 -2.914 1
1 512 . 8 1 1 A 48 48 LEU N N 48 120.348 120.728 -0.380 1
1 513 . 8 1 1 A 49 49 GLY H H 49 7.889 7.928 -0.039 1
1 514 . 8 1 1 A 49 49 GLY HA2 H 49 4.266 4.081 0.185 1
1 515 . 8 1 1 A 49 49 GLY HA3 H 49 3.965 4.081 -0.116 1
1 516 . 8 1 1 A 49 49 GLY C C 49 170.653 172.820 -2.167 1
1 517 . 8 1 1 A 49 49 GLY CA C 49 44.151 43.998 0.153 1
1 518 . 8 1 1 A 49 49 GLY N N 49 108.892 104.872 4.020 1
1 519 . 8 1 1 A 50 50 PRO HA H 50 4.483 4.518 -0.035 1
1 526 . 8 1 1 A 50 50 PRO C C 50 176.143 175.686 0.457 1
1 527 . 8 1 1 A 50 50 PRO CA C 50 62.639 62.931 -0.292 1
1 528 . 8 1 1 A 50 50 PRO CB C 50 32.575 32.431 0.144 1
1 531 . 8 1 1 A 51 51 GLU H H 51 8.463 8.602 -0.139 1
1 532 . 8 1 1 A 51 51 GLU HA H 51 4.560 4.686 -0.126 1
1 537 . 8 1 1 A 51 51 GLU C C 51 175.792 176.075 -0.283 1
1 538 . 8 1 1 A 51 51 GLU CA C 51 55.516 55.467 0.049 1
1 539 . 8 1 1 A 51 51 GLU CB C 51 31.305 31.649 -0.344 1
1 541 . 8 1 1 A 51 51 GLU N N 51 121.175 121.039 0.136 1
1 542 . 8 1 1 A 52 52 LYS H H 52 8.180 8.245 -0.065 1
1 543 . 8 1 1 A 52 52 LYS HA H 52 4.511 4.530 -0.019 1
1 552 . 8 1 1 A 52 52 LYS C C 52 174.000 175.520 -1.520 1
1 553 . 8 1 1 A 52 52 LYS CA C 52 54.952 55.381 -0.429 1
1 554 . 8 1 1 A 52 52 LYS CB C 52 36.101 33.086 3.015 1
1 558 . 8 1 1 A 52 52 LYS N N 52 125.598 126.540 -0.942 1
1 559 . 8 1 1 A 53 53 SER H H 53 8.087 8.424 -0.337 1
1 560 . 8 1 1 A 53 53 SER HA H 53 5.637 4.877 0.760 1
1 563 . 8 1 1 A 53 53 SER C C 53 173.704 172.998 0.706 1
1 564 . 8 1 1 A 53 53 SER CA C 53 56.662 57.465 -0.803 1
1 565 . 8 1 1 A 53 53 SER CB C 53 67.219 65.451 1.768 1
1 566 . 8 1 1 A 53 53 SER N N 53 112.778 115.156 -2.378 1
1 567 . 8 1 1 A 54 54 VAL H H 54 8.940 8.554 0.386 1
1 568 . 8 1 1 A 54 54 VAL HA H 54 4.314 4.835 -0.521 1
1 576 . 8 1 1 A 54 54 VAL C C 54 172.304 174.283 -1.979 1
1 577 . 8 1 1 A 54 54 VAL CA C 54 60.506 59.185 1.321 1
1 578 . 8 1 1 A 54 54 VAL CB C 54 36.121 35.239 0.882 1
1 581 . 8 1 1 A 54 54 VAL N N 54 119.961 120.503 -0.542 1
1 582 . 8 1 1 A 55 55 SER H H 55 8.180 8.869 -0.689 1
1 583 . 8 1 1 A 55 55 SER HA H 55 5.461 4.802 0.659 1
1 586 . 8 1 1 A 55 55 SER C C 55 174.870 174.163 0.707 1
1 587 . 8 1 1 A 55 55 SER CA C 55 56.065 58.571 -2.506 1
1 588 . 8 1 1 A 55 55 SER CB C 55 64.094 64.018 0.076 1
1 589 . 8 1 1 A 55 55 SER N N 55 117.963 119.641 -1.678 1
1 590 . 8 1 1 A 56 56 VAL H H 56 9.201 8.718 0.483 1
1 591 . 8 1 1 A 56 56 VAL HA H 56 4.780 4.619 0.161 1
1 599 . 8 1 1 A 56 56 VAL C C 56 173.446 174.167 -0.721 1
1 600 . 8 1 1 A 56 56 VAL CA C 56 58.760 58.929 -0.169 1
1 601 . 8 1 1 A 56 56 VAL CB C 56 35.954 35.776 0.178 1
1 604 . 8 1 1 A 56 56 VAL N N 56 127.863 125.648 2.215 1
1 605 . 8 1 1 A 57 57 PRO HA H 57 4.582 4.681 -0.099 1
1 612 . 8 1 1 A 57 57 PRO C C 57 176.776 178.639 -1.863 1
1 613 . 8 1 1 A 57 57 PRO CA C 57 64.226 63.555 0.671 1
1 614 . 8 1 1 A 57 57 PRO CB C 57 33.063 31.799 1.264 1
1 617 . 8 1 1 A 58 58 GLY H H 58 7.663 8.996 -1.333 1
1 618 . 8 1 1 A 58 58 GLY HA2 H 58 3.684 4.019 -0.335 1
1 619 . 8 1 1 A 58 58 GLY HA3 H 58 3.620 4.333 -0.713 1
1 620 . 8 1 1 A 58 58 GLY C C 58 173.755 175.761 -2.006 1
1 621 . 8 1 1 A 58 58 GLY CA C 58 46.877 47.583 -0.706 1
1 622 . 8 1 1 A 58 58 GLY N N 58 106.964 113.272 -6.308 1
1 623 . 8 1 1 A 59 59 ALA H H 59 7.900 8.300 -0.400 1
1 624 . 8 1 1 A 59 59 ALA HA H 59 4.516 4.069 0.447 1
1 628 . 8 1 1 A 59 59 ALA C C 59 178.104 177.550 0.554 1
1 629 . 8 1 1 A 59 59 ALA CA C 59 52.713 55.401 -2.688 1
1 630 . 8 1 1 A 59 59 ALA CB C 59 19.380 18.873 0.507 1
1 631 . 8 1 1 A 59 59 ALA N N 59 119.932 124.396 -4.464 1
1 632 . 8 1 1 A 60 60 ARG H H 60 8.306 8.039 0.267 1
1 633 . 8 1 1 A 60 60 ARG HA H 60 4.559 4.832 -0.273 1
1 640 . 8 1 1 A 60 60 ARG C C 60 174.842 175.609 -0.767 1
1 641 . 8 1 1 A 60 60 ARG CA C 60 55.357 54.918 0.439 1
1 642 . 8 1 1 A 60 60 ARG CB C 60 32.823 32.340 0.483 1
1 645 . 8 1 1 A 60 60 ARG N N 60 118.739 115.918 2.821 1
1 646 . 8 1 1 A 61 61 SER H H 61 8.229 8.663 -0.434 1
1 647 . 8 1 1 A 61 61 SER HA H 61 3.709 4.438 -0.729 1
1 650 . 8 1 1 A 61 61 SER C C 61 170.973 172.458 -1.485 1
1 651 . 8 1 1 A 61 61 SER CA C 61 56.045 56.855 -0.810 1
1 652 . 8 1 1 A 61 61 SER CB C 61 63.329 63.203 0.126 1
1 653 . 8 1 1 A 61 61 SER N N 61 110.956 112.326 -1.370 1
1 654 . 8 1 1 A 62 62 HIS H H 62 6.458 7.095 -0.637 1
1 655 . 8 1 1 A 62 62 HIS HA H 62 4.626 3.777 0.849 1
1 660 . 8 1 1 A 62 62 HIS C C 62 173.581 173.152 0.429 1
1 661 . 8 1 1 A 62 62 HIS CA C 62 54.494 53.584 0.910 1
1 662 . 8 1 1 A 62 62 HIS CB C 62 32.485 31.629 0.856 1
1 665 . 8 1 1 A 62 62 HIS N N 62 113.571 115.860 -2.289 1
1 666 . 8 1 1 A 63 63 VAL H H 63 8.794 8.282 0.512 1
1 667 . 8 1 1 A 63 63 VAL HA H 63 4.325 4.356 -0.031 1
1 675 . 8 1 1 A 63 63 VAL C C 63 171.906 174.038 -2.132 1
1 676 . 8 1 1 A 63 63 VAL CA C 63 61.052 60.434 0.618 1
1 677 . 8 1 1 A 63 63 VAL CB C 63 34.800 34.424 0.376 1
1 680 . 8 1 1 A 63 63 VAL N N 63 118.122 118.935 -0.813 1
1 681 . 8 1 1 A 64 64 THR H H 64 8.316 8.671 -0.355 1
1 682 . 8 1 1 A 64 64 THR HA H 64 4.970 4.907 0.063 1
1 687 . 8 1 1 A 64 64 THR C C 64 173.412 173.020 0.392 1
1 688 . 8 1 1 A 64 64 THR CA C 64 61.775 61.662 0.113 1
1 689 . 8 1 1 A 64 64 THR CB C 64 69.851 70.358 -0.507 1
1 691 . 8 1 1 A 64 64 THR N N 64 122.871 122.529 0.342 1
1 692 . 8 1 1 A 65 65 LEU H H 65 9.348 8.286 1.062 1
1 693 . 8 1 1 A 65 65 LEU HA H 65 4.584 4.747 -0.163 1
1 703 . 8 1 1 A 65 65 LEU C C 65 173.397 174.880 -1.483 1
1 704 . 8 1 1 A 65 65 LEU CA C 65 50.297 51.152 -0.855 1
1 705 . 8 1 1 A 65 65 LEU CB C 65 41.547 42.200 -0.653 1
1 709 . 8 1 1 A 65 65 LEU N N 65 129.778 127.011 2.767 1
1 710 . 8 1 1 A 66 66 PRO HA H 66 4.868 4.329 0.539 1
1 717 . 8 1 1 A 66 66 PRO C C 66 175.188 176.213 -1.025 1
1 718 . 8 1 1 A 66 66 PRO CA C 66 61.370 62.673 -1.303 1
1 719 . 8 1 1 A 66 66 PRO CB C 66 33.700 32.663 1.037 1
1 722 . 8 1 1 A 67 67 ASP H H 67 8.729 8.811 -0.082 1
1 723 . 8 1 1 A 67 67 ASP HA H 67 4.333 4.074 0.259 1
1 726 . 8 1 1 A 67 67 ASP C C 67 175.824 174.956 0.868 1
1 727 . 8 1 1 A 67 67 ASP CA C 67 55.181 54.729 0.452 1
1 728 . 8 1 1 A 67 67 ASP CB C 67 39.225 39.605 -0.380 1
1 729 . 8 1 1 A 67 67 ASP N N 67 113.984 116.209 -2.225 1
1 730 . 8 1 1 A 68 68 LEU H H 68 8.599 7.734 0.865 1
1 731 . 8 1 1 A 68 68 LEU HA H 68 4.414 4.665 -0.251 1
1 741 . 8 1 1 A 68 68 LEU C C 68 176.487 176.240 0.247 1
1 742 . 8 1 1 A 68 68 LEU CA C 68 53.259 53.036 0.223 1
1 743 . 8 1 1 A 68 68 LEU CB C 68 41.630 43.837 -2.207 1
1 747 . 8 1 1 A 68 68 LEU N N 68 118.102 118.691 -0.589 1
1 748 . 8 1 1 A 69 69 GLN H H 69 8.114 8.603 -0.489 1
1 749 . 8 1 1 A 69 69 GLN HA H 69 4.349 4.752 -0.403 1
1 756 . 8 1 1 A 69 69 GLN C C 69 175.669 174.860 0.809 1
1 757 . 8 1 1 A 69 69 GLN CA C 69 54.722 54.518 0.204 1
1 758 . 8 1 1 A 69 69 GLN CB C 69 30.803 31.148 -0.345 1
1 760 . 8 1 1 A 69 69 GLN N N 69 118.191 119.807 -1.616 1
1 762 . 8 1 1 A 70 70 ALA H H 70 8.240 8.692 -0.452 1
1 763 . 8 1 1 A 70 70 ALA HA H 70 4.835 4.843 -0.008 1
1 767 . 8 1 1 A 70 70 ALA C C 70 178.720 176.891 1.829 1
1 768 . 8 1 1 A 70 70 ALA CA C 70 52.501 50.238 2.263 1
1 769 . 8 1 1 A 70 70 ALA CB C 70 20.257 21.914 -1.657 1
1 770 . 8 1 1 A 70 70 ALA N N 70 124.989 120.816 4.173 1
1 771 . 8 1 1 A 71 71 ALA H H 71 8.003 8.265 -0.262 1
1 772 . 8 1 1 A 71 71 ALA HA H 71 3.974 3.854 0.120 1
1 776 . 8 1 1 A 71 71 ALA C C 71 176.118 176.124 -0.006 1
1 777 . 8 1 1 A 71 71 ALA CA C 71 52.491 53.141 -0.650 1
1 778 . 8 1 1 A 71 71 ALA CB C 71 18.439 17.722 0.717 1
1 779 . 8 1 1 A 71 71 ALA N N 71 128.133 119.551 8.582 1
1 780 . 8 1 1 A 72 72 THR H H 72 8.391 8.161 0.230 1
1 781 . 8 1 1 A 72 72 THR HA H 72 4.563 4.676 -0.113 1
1 786 . 8 1 1 A 72 72 THR C C 72 172.643 174.325 -1.682 1
1 787 . 8 1 1 A 72 72 THR CA C 72 62.856 61.448 1.408 1
1 788 . 8 1 1 A 72 72 THR CB C 72 71.924 70.983 0.941 1
1 790 . 8 1 1 A 72 72 THR N N 72 114.280 111.990 2.290 1
1 791 . 8 1 1 A 73 73 LYS H H 73 8.691 8.462 0.229 1
1 792 . 8 1 1 A 73 73 LYS HA H 73 4.846 4.451 0.395 1
1 801 . 8 1 1 A 73 73 LYS C C 73 176.405 175.783 0.622 1
1 802 . 8 1 1 A 73 73 LYS CA C 73 55.992 55.989 0.003 1
1 803 . 8 1 1 A 73 73 LYS CB C 73 33.535 33.114 0.421 1
1 807 . 8 1 1 A 73 73 LYS N N 73 125.989 126.485 -0.496 1
1 808 . 8 1 1 A 74 74 TYR H H 74 9.569 8.655 0.914 1
1 809 . 8 1 1 A 74 74 TYR HA H 74 4.758 5.428 -0.670 1
1 816 . 8 1 1 A 74 74 TYR C C 74 173.567 174.854 -1.287 1
1 817 . 8 1 1 A 74 74 TYR CA C 74 58.778 56.578 2.200 1
1 818 . 8 1 1 A 74 74 TYR CB C 74 42.667 41.057 1.610 1
1 823 . 8 1 1 A 74 74 TYR N N 74 126.436 118.550 7.886 1
1 824 . 8 1 1 A 75 75 ARG H H 75 9.005 8.628 0.377 1
1 825 . 8 1 1 A 75 75 ARG HA H 75 5.053 4.351 0.702 1
1 832 . 8 1 1 A 75 75 ARG C C 75 175.042 175.052 -0.010 1
1 833 . 8 1 1 A 75 75 ARG CA C 75 55.027 56.757 -1.730 1
1 834 . 8 1 1 A 75 75 ARG CB C 75 32.284 30.596 1.688 1
1 837 . 8 1 1 A 75 75 ARG N N 75 121.560 126.191 -4.631 1
1 838 . 8 1 1 A 76 76 VAL H H 76 9.127 8.967 0.160 1
1 839 . 8 1 1 A 76 76 VAL HA H 76 4.977 4.524 0.453 1
1 847 . 8 1 1 A 76 76 VAL C C 76 173.144 175.283 -2.139 1
1 848 . 8 1 1 A 76 76 VAL CA C 76 60.876 62.241 -1.365 1
1 849 . 8 1 1 A 76 76 VAL CB C 76 34.922 32.190 2.732 1
1 852 . 8 1 1 A 76 76 VAL N N 76 127.571 127.747 -0.176 1
1 853 . 8 1 1 A 77 77 LEU H H 77 9.083 9.551 -0.468 1
1 854 . 8 1 1 A 77 77 LEU HA H 77 5.350 5.427 -0.077 1
1 864 . 8 1 1 A 77 77 LEU C C 77 176.622 175.704 0.918 1
1 865 . 8 1 1 A 77 77 LEU CA C 77 53.911 53.384 0.527 1
1 866 . 8 1 1 A 77 77 LEU CB C 77 44.959 43.026 1.933 1
1 870 . 8 1 1 A 77 77 LEU N N 77 127.310 128.584 -1.274 1
1 871 . 8 1 1 A 78 78 VAL H H 78 8.918 8.755 0.163 1
1 872 . 8 1 1 A 78 78 VAL HA H 78 4.890 4.753 0.137 1
1 880 . 8 1 1 A 78 78 VAL C C 78 174.235 174.869 -0.634 1
1 881 . 8 1 1 A 78 78 VAL CA C 78 61.193 60.791 0.402 1
1 882 . 8 1 1 A 78 78 VAL CB C 78 34.718 33.498 1.220 1
1 885 . 8 1 1 A 78 78 VAL N N 78 119.228 126.579 -7.351 1
1 886 . 8 1 1 A 79 79 SER H H 79 8.598 8.705 -0.107 1
1 887 . 8 1 1 A 79 79 SER HA H 79 4.725 4.912 -0.187 1
1 890 . 8 1 1 A 79 79 SER C C 79 172.877 172.911 -0.034 1
1 891 . 8 1 1 A 79 79 SER CA C 79 56.680 57.470 -0.790 1
1 892 . 8 1 1 A 79 79 SER CB C 79 65.806 66.409 -0.603 1
1 893 . 8 1 1 A 79 79 SER N N 79 119.664 121.855 -2.191 1
1 894 . 8 1 1 A 80 80 ALA H H 80 8.939 8.110 0.829 1
1 895 . 8 1 1 A 80 80 ALA HA H 80 4.325 4.237 0.088 1
1 899 . 8 1 1 A 80 80 ALA C C 80 174.050 176.536 -2.486 1
1 900 . 8 1 1 A 80 80 ALA CA C 80 51.126 50.926 0.200 1
1 901 . 8 1 1 A 80 80 ALA CB C 80 21.990 19.553 2.437 1
1 902 . 8 1 1 A 80 80 ALA N N 80 126.283 127.279 -0.996 1
1 903 . 8 1 1 A 81 81 ILE H H 81 8.424 8.226 0.198 1
1 904 . 8 1 1 A 81 81 ILE HA H 81 4.116 4.322 -0.206 1
1 914 . 8 1 1 A 81 81 ILE C C 81 173.862 174.496 -0.634 1
1 915 . 8 1 1 A 81 81 ILE CA C 81 61.175 60.307 0.868 1
1 916 . 8 1 1 A 81 81 ILE CB C 81 36.015 37.869 -1.854 1
1 920 . 8 1 1 A 81 81 ILE N N 81 123.033 122.738 0.295 1
1 921 . 8 1 1 A 82 82 TYR H H 82 8.377 8.589 -0.212 1
1 922 . 8 1 1 A 82 82 TYR HA H 82 4.681 4.917 -0.236 1
1 929 . 8 1 1 A 82 82 TYR C C 82 176.146 176.271 -0.125 1
1 930 . 8 1 1 A 82 82 TYR CA C 82 56.309 56.559 -0.250 1
1 931 . 8 1 1 A 82 82 TYR CB C 82 40.734 42.713 -1.979 1
1 936 . 8 1 1 A 82 82 TYR N N 82 125.168 125.171 -0.003 1
1 937 . 8 1 1 A 83 83 ALA H H 83 9.437 9.074 0.363 1
1 938 . 8 1 1 A 83 83 ALA HA H 83 4.059 4.093 -0.034 1
1 942 . 8 1 1 A 83 83 ALA C C 83 179.312 179.862 -0.550 1
1 943 . 8 1 1 A 83 83 ALA CA C 83 55.729 55.628 0.101 1
1 944 . 8 1 1 A 83 83 ALA CB C 83 17.613 18.410 -0.797 1
1 945 . 8 1 1 A 83 83 ALA N N 83 125.234 125.114 0.120 1
1 946 . 8 1 1 A 84 84 ALA H H 84 7.823 7.911 -0.088 1
1 947 . 8 1 1 A 84 84 ALA HA H 84 4.434 4.096 0.338 1
1 951 . 8 1 1 A 84 84 ALA C C 84 176.808 177.654 -0.846 1
1 952 . 8 1 1 A 84 84 ALA CA C 84 51.936 54.956 -3.020 1
1 953 . 8 1 1 A 84 84 ALA CB C 84 19.514 19.736 -0.222 1
1 954 . 8 1 1 A 84 84 ALA N N 84 114.587 119.720 -5.133 1
1 955 . 8 1 1 A 85 85 GLY H H 85 7.366 7.473 -0.107 1
1 956 . 8 1 1 A 85 85 GLY HA2 H 85 4.362 3.996 0.366 1
1 957 . 8 1 1 A 85 85 GLY HA3 H 85 3.835 4.011 -0.176 1
1 958 . 8 1 1 A 85 85 GLY C C 85 171.544 172.030 -0.486 1
1 959 . 8 1 1 A 85 85 GLY CA C 85 44.576 45.890 -1.314 1
1 960 . 8 1 1 A 85 85 GLY N N 85 105.342 102.140 3.202 1
1 961 . 8 1 1 A 86 86 ARG H H 86 8.626 8.500 0.126 1
1 962 . 8 1 1 A 86 86 ARG HA H 86 5.263 5.338 -0.075 1
1 969 . 8 1 1 A 86 86 ARG C C 86 176.925 175.982 0.943 1
1 970 . 8 1 1 A 86 86 ARG CA C 86 54.863 54.868 -0.005 1
1 971 . 8 1 1 A 86 86 ARG CB C 86 33.491 32.491 1.000 1
1 974 . 8 1 1 A 86 86 ARG N N 86 118.147 117.161 0.986 1
1 975 . 8 1 1 A 87 87 SER H H 87 9.496 9.004 0.492 1
1 976 . 8 1 1 A 87 87 SER HA H 87 4.747 4.624 0.123 1
1 979 . 8 1 1 A 87 87 SER C C 87 174.538 174.395 0.143 1
1 980 . 8 1 1 A 87 87 SER CA C 87 58.284 58.156 0.128 1
1 981 . 8 1 1 A 87 87 SER CB C 87 67.271 65.578 1.693 1
1 982 . 8 1 1 A 87 87 SER N N 87 119.835 114.216 5.619 1
1 983 . 8 1 1 A 88 88 GLU H H 88 9.058 8.579 0.479 1
1 984 . 8 1 1 A 88 88 GLU HA H 88 4.342 4.213 0.129 1
1 989 . 8 1 1 A 88 88 GLU C C 88 176.157 175.719 0.438 1
1 990 . 8 1 1 A 88 88 GLU CA C 88 56.874 55.780 1.094 1
1 991 . 8 1 1 A 88 88 GLU CB C 88 30.350 30.194 0.156 1
1 993 . 8 1 1 A 88 88 GLU N N 88 119.700 119.847 -0.147 1
1 994 . 8 1 1 A 89 89 ALA H H 89 8.674 8.498 0.176 1
1 995 . 8 1 1 A 89 89 ALA HA H 89 4.918 5.414 -0.496 1
1 999 . 8 1 1 A 89 89 ALA C C 89 178.887 176.191 2.696 1
1 1000 . 8 1 1 A 89 89 ALA CA C 89 51.340 50.533 0.807 1
1 1001 . 8 1 1 A 89 89 ALA CB C 89 20.130 21.633 -1.503 1
1 1002 . 8 1 1 A 89 89 ALA N N 89 125.485 122.375 3.110 1
1 1003 . 8 1 1 A 90 90 VAL H H 90 8.621 8.579 0.042 1
1 1004 . 8 1 1 A 90 90 VAL HA H 90 4.562 4.872 -0.310 1
1 1012 . 8 1 1 A 90 90 VAL C C 90 174.251 174.532 -0.281 1
1 1013 . 8 1 1 A 90 90 VAL CA C 90 60.365 60.640 -0.275 1
1 1014 . 8 1 1 A 90 90 VAL CB C 90 33.770 33.473 0.297 1
1 1017 . 8 1 1 A 90 90 VAL N N 90 119.440 119.905 -0.465 1
1 1018 . 8 1 1 A 91 91 SER H H 91 8.373 8.869 -0.496 1
1 1019 . 8 1 1 A 91 91 SER HA H 91 5.877 5.245 0.632 1
1 1022 . 8 1 1 A 91 91 SER C C 91 174.245 173.252 0.993 1
1 1023 . 8 1 1 A 91 91 SER CA C 91 56.109 57.775 -1.666 1
1 1024 . 8 1 1 A 91 91 SER CB C 91 67.620 64.375 3.245 1
1 1025 . 8 1 1 A 91 91 SER N N 91 116.084 123.168 -7.084 1
1 1026 . 8 1 1 A 92 92 ALA H H 92 8.900 8.722 0.178 1
1 1027 . 8 1 1 A 92 92 ALA HA H 92 4.681 4.878 -0.197 1
1 1031 . 8 1 1 A 92 92 ALA C C 92 175.187 176.157 -0.970 1
1 1032 . 8 1 1 A 92 92 ALA CA C 92 51.990 52.056 -0.066 1
1 1033 . 8 1 1 A 92 92 ALA CB C 92 23.056 21.462 1.594 1
1 1034 . 8 1 1 A 92 92 ALA N N 92 123.885 125.963 -2.078 1
1 1035 . 8 1 1 A 93 93 THR H H 93 8.466 8.688 -0.222 1
1 1036 . 8 1 1 A 93 93 THR HA H 93 5.623 5.044 0.579 1
1 1041 . 8 1 1 A 93 93 THR C C 93 174.366 174.252 0.114 1
1 1042 . 8 1 1 A 93 93 THR CA C 93 60.154 60.709 -0.555 1
1 1043 . 8 1 1 A 93 93 THR CB C 93 71.657 70.230 1.427 1
1 1045 . 8 1 1 A 93 93 THR N N 93 112.591 115.765 -3.174 1
1 1046 . 8 1 1 A 94 94 GLY H H 94 8.657 8.808 -0.151 1
1 1047 . 8 1 1 A 94 94 GLY HA2 H 94 4.483 4.223 0.260 1
1 1048 . 8 1 1 A 94 94 GLY HA3 H 94 3.625 4.233 -0.608 1
1 1049 . 8 1 1 A 94 94 GLY C C 94 170.518 173.739 -3.221 1
1 1050 . 8 1 1 A 94 94 GLY CA C 94 44.849 45.178 -0.329 1
1 1051 . 8 1 1 A 94 94 GLY N N 94 111.375 111.130 0.245 1
1 1052 . 8 1 1 A 95 95 GLN H H 95 8.667 8.691 -0.024 1
1 1053 . 8 1 1 A 95 95 GLN HA H 95 5.491 4.267 1.224 1
1 1060 . 8 1 1 A 95 95 GLN C C 95 176.226 175.344 0.882 1
1 1061 . 8 1 1 A 95 95 GLN CA C 95 54.000 56.711 -2.711 1
1 1062 . 8 1 1 A 95 95 GLN CB C 95 32.822 29.462 3.360 1
1 1064 . 8 1 1 A 95 95 GLN N N 95 120.893 126.513 -5.620 1
1 1066 . 8 1 1 A 96 96 THR H H 96 8.609 8.487 0.122 1
1 1067 . 8 1 1 A 96 96 THR HA H 96 4.384 4.815 -0.431 1
1 1072 . 8 1 1 A 96 96 THR C C 96 175.194 174.309 0.885 1
1 1073 . 8 1 1 A 96 96 THR CA C 96 60.783 61.897 -1.114 1
1 1074 . 8 1 1 A 96 96 THR CB C 96 70.198 70.978 -0.780 1
1 1076 . 8 1 1 A 96 96 THR N N 96 115.777 117.080 -1.303 1
1 1077 . 8 1 1 A 97 97 ALA H H 97 8.009 8.266 -0.257 1
1 1078 . 8 1 1 A 97 97 ALA HA H 97 4.186 4.411 -0.225 1
1 1082 . 8 1 1 A 97 97 ALA C C 97 176.174 177.162 -0.988 1
1 1083 . 8 1 1 A 97 97 ALA CA C 97 52.077 51.554 0.523 1
1 1084 . 8 1 1 A 97 97 ALA CB C 97 19.001 19.438 -0.437 1
1 1085 . 8 1 1 A 97 97 ALA N N 97 120.015 122.817 -2.802 1
1 1086 . 8 1 1 A 98 98 CYS H H 98 8.239 8.674 -0.435 1
1 1087 . 8 1 1 A 98 98 CYS HA H 98 4.705 4.952 -0.247 1
1 1090 . 8 1 1 A 98 98 CYS C C 98 173.203 173.274 -0.071 1
1 1091 . 8 1 1 A 98 98 CYS CA C 98 56.644 57.427 -0.783 1
1 1092 . 8 1 1 A 98 98 CYS CB C 98 27.357 28.637 -1.280 1
1 1093 . 8 1 1 A 98 98 CYS N N 98 116.874 119.279 -2.405 1
1 1094 . 8 1 1 A 99 99 PRO HA H 99 4.421 4.740 -0.319 1
1 1101 . 8 1 1 A 99 99 PRO CA C 99 63.337 62.393 0.944 1
1 1102 . 8 1 1 A 99 99 PRO CB C 99 32.132 30.479 1.653 1
1 1105 . 8 1 1 A 100 100 SER H H 100 8.463 8.006 0.457 1
1 1106 . 8 1 1 A 100 100 SER HA H 100 4.470 4.874 -0.404 1
1 1109 . 8 1 1 A 100 100 SER CA C 100 58.453 56.703 1.750 1
1 1110 . 8 1 1 A 100 100 SER CB C 100 64.023 65.168 -1.145 1
1 1111 . 8 1 1 A 100 100 SER N N 100 116.426 114.128 2.298 1
1 1112 . 8 1 1 A 101 101 GLY H H 101 8.237 8.383 -0.146 1
1 1113 . 8 1 1 A 101 101 GLY HA2 H 101 4.165 4.099 0.066 1
1 1114 . 8 1 1 A 101 101 GLY HA3 H 101 4.100 4.099 0.001 1
1 1115 . 8 1 1 A 101 101 GLY CA C 101 44.647 44.828 -0.181 1
1 1116 . 8 1 1 A 101 101 GLY N N 101 110.731 109.345 1.386 1
1 1117 . 8 1 1 A 102 102 PRO HA H 102 4.484 4.555 -0.071 1
1 1123 . 8 1 1 A 102 102 PRO CA C 102 63.069 62.723 0.346 1
1 1124 . 8 1 1 A 102 102 PRO CB C 102 32.189 32.471 -0.282 1
1 1127 . 8 1 1 A 103 103 SER H H 103 8.540 8.549 -0.009 1
1 1 . 9 1 1 A 5 5 SER N N 5 119.122 122.220 -3.098 1
1 2 . 9 1 1 A 6 6 SER N N 6 123.945 115.935 8.010 1
1 3 . 9 1 1 A 7 7 GLY HA2 H 7 3.813 4.119 -0.306 1
1 4 . 9 1 1 A 7 7 GLY HA3 H 7 3.813 4.130 -0.317 1
1 5 . 9 1 1 A 7 7 GLY CA C 7 45.375 45.960 -0.585 1
1 6 . 9 1 1 A 8 8 ARG H H 8 7.999 8.272 -0.273 1
1 7 . 9 1 1 A 8 8 ARG HA H 8 3.712 4.358 -0.646 1
1 14 . 9 1 1 A 8 8 ARG CA C 8 54.185 54.095 0.090 1
1 15 . 9 1 1 A 8 8 ARG CB C 8 29.555 32.789 -3.234 1
1 18 . 9 1 1 A 8 8 ARG N N 8 121.209 122.423 -1.214 1
1 19 . 9 1 1 A 9 9 SER H H 9 7.810 8.980 -1.170 1
1 20 . 9 1 1 A 9 9 SER HA H 9 4.725 5.015 -0.290 1
1 23 . 9 1 1 A 9 9 SER CA C 9 58.455 54.636 3.819 1
1 24 . 9 1 1 A 9 9 SER CB C 9 62.966 65.273 -2.307 1
1 25 . 9 1 1 A 9 9 SER N N 9 118.072 119.741 -1.669 1
1 26 . 9 1 1 A 10 10 PRO HA H 10 5.182 4.903 0.279 1
1 33 . 9 1 1 A 10 10 PRO CA C 10 61.759 61.300 0.459 1
1 34 . 9 1 1 A 10 10 PRO CB C 10 30.280 31.649 -1.369 1
1 37 . 9 1 1 A 11 11 PRO HA H 11 4.567 4.704 -0.137 1
1 44 . 9 1 1 A 11 11 PRO C C 11 173.556 176.203 -2.647 1
1 45 . 9 1 1 A 11 11 PRO CA C 11 62.674 62.665 0.009 1
1 46 . 9 1 1 A 11 11 PRO CB C 11 33.026 31.728 1.298 1
1 49 . 9 1 1 A 12 12 SER H H 12 8.427 8.639 -0.212 1
1 50 . 9 1 1 A 12 12 SER HA H 12 4.890 4.972 -0.082 1
1 53 . 9 1 1 A 12 12 SER C C 12 173.115 173.816 -0.701 1
1 54 . 9 1 1 A 12 12 SER CA C 12 56.556 57.232 -0.676 1
1 55 . 9 1 1 A 12 12 SER CB C 12 66.882 65.901 0.981 1
1 56 . 9 1 1 A 12 12 SER N N 12 111.345 118.527 -7.182 1
1 57 . 9 1 1 A 13 13 ASN H H 13 8.973 8.766 0.207 1
1 58 . 9 1 1 A 13 13 ASN HA H 13 4.318 4.275 0.043 1
1 63 . 9 1 1 A 13 13 ASN C C 13 173.850 174.728 -0.878 1
1 64 . 9 1 1 A 13 13 ASN CA C 13 53.928 54.228 -0.300 1
1 65 . 9 1 1 A 13 13 ASN CB C 13 37.365 36.880 0.485 1
1 66 . 9 1 1 A 13 13 ASN N N 13 115.970 116.887 -0.917 1
1 68 . 9 1 1 A 14 14 LEU H H 14 8.223 8.303 -0.080 1
1 69 . 9 1 1 A 14 14 LEU HA H 14 4.857 4.369 0.488 1
1 79 . 9 1 1 A 14 14 LEU C C 14 176.725 177.366 -0.641 1
1 80 . 9 1 1 A 14 14 LEU CA C 14 56.115 55.987 0.128 1
1 81 . 9 1 1 A 14 14 LEU CB C 14 42.621 41.769 0.852 1
1 85 . 9 1 1 A 14 14 LEU N N 14 119.681 120.208 -0.527 1
1 86 . 9 1 1 A 15 15 ALA H H 15 9.364 8.311 1.053 1
1 87 . 9 1 1 A 15 15 ALA HA H 15 4.736 5.134 -0.398 1
1 91 . 9 1 1 A 15 15 ALA C C 15 175.056 175.523 -0.467 1
1 92 . 9 1 1 A 15 15 ALA CA C 15 51.496 51.028 0.468 1
1 93 . 9 1 1 A 15 15 ALA CB C 15 22.285 21.353 0.932 1
1 94 . 9 1 1 A 15 15 ALA N N 15 130.359 125.635 4.724 1
1 95 . 9 1 1 A 16 16 LEU H H 16 8.448 9.261 -0.813 1
1 96 . 9 1 1 A 16 16 LEU HA H 16 5.385 4.989 0.396 1
1 106 . 9 1 1 A 16 16 LEU C C 16 175.868 175.470 0.398 1
1 107 . 9 1 1 A 16 16 LEU CA C 16 53.224 54.230 -1.006 1
1 108 . 9 1 1 A 16 16 LEU CB C 16 45.061 41.858 3.203 1
1 112 . 9 1 1 A 16 16 LEU N N 16 120.470 124.546 -4.076 1
1 113 . 9 1 1 A 17 17 ALA H H 17 8.737 9.346 -0.609 1
1 114 . 9 1 1 A 17 17 ALA HA H 17 4.620 5.292 -0.672 1
1 118 . 9 1 1 A 17 17 ALA C C 17 175.371 176.295 -0.924 1
1 119 . 9 1 1 A 17 17 ALA CA C 17 51.249 50.252 0.997 1
1 120 . 9 1 1 A 17 17 ALA CB C 17 22.570 21.301 1.269 1
1 121 . 9 1 1 A 17 17 ALA N N 17 124.938 128.749 -3.811 1
1 122 . 9 1 1 A 18 18 SER H H 18 8.675 8.759 -0.084 1
1 123 . 9 1 1 A 18 18 SER HA H 18 5.021 5.100 -0.079 1
1 126 . 9 1 1 A 18 18 SER C C 18 174.678 174.339 0.339 1
1 127 . 9 1 1 A 18 18 SER CA C 18 57.244 56.865 0.379 1
1 128 . 9 1 1 A 18 18 SER CB C 18 64.200 64.256 -0.056 1
1 129 . 9 1 1 A 18 18 SER N N 18 113.933 116.398 -2.465 1
1 130 . 9 1 1 A 19 19 GLU H H 19 9.743 8.769 0.974 1
1 131 . 9 1 1 A 19 19 GLU HA H 19 4.466 4.539 -0.073 1
1 136 . 9 1 1 A 19 19 GLU C C 19 176.368 176.145 0.223 1
1 137 . 9 1 1 A 19 19 GLU CA C 19 56.295 57.475 -1.180 1
1 138 . 9 1 1 A 19 19 GLU CB C 19 31.532 31.784 -0.252 1
1 140 . 9 1 1 A 19 19 GLU N N 19 127.234 123.713 3.521 1
1 141 . 9 1 1 A 20 20 THR H H 20 7.759 7.067 0.692 1
1 142 . 9 1 1 A 20 20 THR HA H 20 4.935 4.700 0.235 1
1 147 . 9 1 1 A 20 20 THR C C 20 171.770 173.791 -2.021 1
1 148 . 9 1 1 A 20 20 THR CA C 20 58.337 58.337 0.000 1
1 149 . 9 1 1 A 20 20 THR CB C 20 69.869 71.831 -1.962 1
1 151 . 9 1 1 A 20 20 THR N N 20 109.600 111.022 -1.422 1
1 152 . 9 1 1 A 21 21 PRO HA H 21 4.587 4.532 0.055 1
1 159 . 9 1 1 A 21 21 PRO C C 21 173.647 176.821 -3.174 1
1 160 . 9 1 1 A 21 21 PRO CA C 21 64.332 64.117 0.215 1
1 161 . 9 1 1 A 21 21 PRO CB C 21 32.380 31.491 0.889 1
1 164 . 9 1 1 A 22 22 ASP H H 22 7.420 8.454 -1.034 1
1 165 . 9 1 1 A 22 22 ASP HA H 22 4.648 5.011 -0.363 1
1 168 . 9 1 1 A 22 22 ASP C C 22 175.838 175.805 0.033 1
1 169 . 9 1 1 A 22 22 ASP CA C 22 51.037 53.610 -2.573 1
1 170 . 9 1 1 A 22 22 ASP CB C 22 42.177 41.513 0.664 1
1 171 . 9 1 1 A 22 22 ASP N N 22 107.201 116.600 -9.399 1
1 172 . 9 1 1 A 23 23 SER H H 23 7.729 7.607 0.122 1
1 173 . 9 1 1 A 23 23 SER HA H 23 5.474 5.121 0.353 1
1 176 . 9 1 1 A 23 23 SER C C 23 171.887 172.056 -0.169 1
1 177 . 9 1 1 A 23 23 SER CA C 23 57.481 57.551 -0.070 1
1 178 . 9 1 1 A 23 23 SER CB C 23 68.168 66.881 1.287 1
1 179 . 9 1 1 A 23 23 SER N N 23 112.046 113.835 -1.789 1
1 180 . 9 1 1 A 24 24 LEU H H 24 7.884 8.603 -0.719 1
1 181 . 9 1 1 A 24 24 LEU HA H 24 4.769 4.945 -0.176 1
1 191 . 9 1 1 A 24 24 LEU C C 24 174.542 174.388 0.154 1
1 192 . 9 1 1 A 24 24 LEU CA C 24 53.576 53.749 -0.173 1
1 193 . 9 1 1 A 24 24 LEU CB C 24 47.616 45.750 1.866 1
1 197 . 9 1 1 A 24 24 LEU N N 24 119.324 124.319 -4.995 1
1 198 . 9 1 1 A 25 25 GLN H H 25 9.356 9.409 -0.053 1
1 199 . 9 1 1 A 25 25 GLN HA H 25 4.747 4.721 0.026 1
1 206 . 9 1 1 A 25 25 GLN C C 25 174.824 175.050 -0.226 1
1 207 . 9 1 1 A 25 25 GLN CA C 25 55.533 55.430 0.103 1
1 208 . 9 1 1 A 25 25 GLN CB C 25 29.759 29.974 -0.215 1
1 210 . 9 1 1 A 25 25 GLN N N 25 124.019 127.622 -3.603 1
1 212 . 9 1 1 A 26 26 VAL H H 26 9.020 8.285 0.735 1
1 213 . 9 1 1 A 26 26 VAL HA H 26 4.824 4.985 -0.161 1
1 221 . 9 1 1 A 26 26 VAL C C 26 174.556 173.918 0.638 1
1 222 . 9 1 1 A 26 26 VAL CA C 26 60.629 59.954 0.675 1
1 223 . 9 1 1 A 26 26 VAL CB C 26 33.355 35.687 -2.332 1
1 226 . 9 1 1 A 26 26 VAL N N 26 127.649 124.042 3.607 1
1 227 . 9 1 1 A 27 27 SER H H 27 9.056 8.704 0.352 1
1 228 . 9 1 1 A 27 27 SER HA H 27 4.857 4.931 -0.074 1
1 231 . 9 1 1 A 27 27 SER C C 27 172.328 172.964 -0.636 1
1 232 . 9 1 1 A 27 27 SER CA C 27 57.138 56.593 0.545 1
1 233 . 9 1 1 A 27 27 SER CB C 27 66.864 66.878 -0.014 1
1 234 . 9 1 1 A 27 27 SER N N 27 119.826 121.659 -1.833 1
1 235 . 9 1 1 A 28 28 TRP H H 28 7.584 7.991 -0.407 1
1 236 . 9 1 1 A 28 28 TRP HA H 28 5.022 5.303 -0.281 1
1 245 . 9 1 1 A 28 28 TRP C C 28 174.055 173.090 0.965 1
1 246 . 9 1 1 A 28 28 TRP CA C 28 56.609 55.652 0.957 1
1 247 . 9 1 1 A 28 28 TRP CB C 28 29.814 30.907 -1.093 1
1 253 . 9 1 1 A 28 28 TRP N N 28 115.280 118.310 -3.030 1
1 255 . 9 1 1 A 29 29 THR H H 29 9.293 8.994 0.299 1
1 256 . 9 1 1 A 29 29 THR HA H 29 4.865 4.841 0.024 1
1 261 . 9 1 1 A 29 29 THR C C 29 173.203 173.677 -0.474 1
1 262 . 9 1 1 A 29 29 THR CA C 29 59.889 59.636 0.253 1
1 263 . 9 1 1 A 29 29 THR CB C 29 69.774 69.737 0.037 1
1 265 . 9 1 1 A 29 29 THR N N 29 117.164 115.617 1.547 1
1 266 . 9 1 1 A 30 30 PRO HA H 30 4.809 4.828 -0.019 1
1 273 . 9 1 1 A 30 30 PRO CA C 30 61.701 61.857 -0.156 1
1 274 . 9 1 1 A 30 30 PRO CB C 30 32.114 32.202 -0.088 1
1 277 . 9 1 1 A 31 31 PRO HA H 31 4.703 4.722 -0.019 1
1 284 . 9 1 1 A 31 31 PRO C C 31 175.384 176.166 -0.782 1
1 285 . 9 1 1 A 31 31 PRO CA C 31 61.793 62.379 -0.586 1
1 286 . 9 1 1 A 31 31 PRO CB C 31 32.822 33.437 -0.615 1
1 289 . 9 1 1 A 32 32 LEU H H 32 8.312 8.205 0.107 1
1 290 . 9 1 1 A 32 32 LEU HA H 32 4.333 4.491 -0.158 1
1 300 . 9 1 1 A 32 32 LEU C C 32 177.793 177.877 -0.084 1
1 301 . 9 1 1 A 32 32 LEU CA C 32 55.851 55.000 0.851 1
1 302 . 9 1 1 A 32 32 LEU CB C 32 41.968 43.361 -1.393 1
1 306 . 9 1 1 A 32 32 LEU N N 32 119.044 117.641 1.403 1
1 307 . 9 1 1 A 33 33 GLY H H 33 8.147 7.902 0.245 1
1 308 . 9 1 1 A 33 33 GLY HA2 H 33 4.210 4.104 0.106 1
1 309 . 9 1 1 A 33 33 GLY HA3 H 33 4.051 4.152 -0.101 1
1 310 . 9 1 1 A 33 33 GLY C C 33 172.971 173.122 -0.151 1
1 311 . 9 1 1 A 33 33 GLY CA C 33 44.216 45.556 -1.340 1
1 312 . 9 1 1 A 33 33 GLY N N 33 107.917 108.532 -0.615 1
1 313 . 9 1 1 A 34 34 ARG H H 34 8.671 8.500 0.171 1
1 314 . 9 1 1 A 34 34 ARG HA H 34 4.405 4.465 -0.060 1
1 321 . 9 1 1 A 34 34 ARG C C 34 174.517 175.243 -0.726 1
1 322 . 9 1 1 A 34 34 ARG CA C 34 55.339 56.651 -1.312 1
1 323 . 9 1 1 A 34 34 ARG CB C 34 29.137 30.625 -1.488 1
1 326 . 9 1 1 A 34 34 ARG N N 34 121.152 123.187 -2.035 1
1 327 . 9 1 1 A 35 35 VAL H H 35 7.825 8.743 -0.918 1
1 328 . 9 1 1 A 35 35 VAL HA H 35 3.060 4.090 -1.030 1
1 336 . 9 1 1 A 35 35 VAL C C 35 176.613 175.245 1.368 1
1 337 . 9 1 1 A 35 35 VAL CA C 35 62.505 61.932 0.573 1
1 338 . 9 1 1 A 35 35 VAL CB C 35 32.534 32.321 0.213 1
1 341 . 9 1 1 A 35 35 VAL N N 35 126.379 127.732 -1.353 1
1 342 . 9 1 1 A 36 36 LEU H H 36 8.874 8.045 0.829 1
1 343 . 9 1 1 A 36 36 LEU HA H 36 4.176 4.052 0.124 1
1 353 . 9 1 1 A 36 36 LEU C C 36 177.540 176.810 0.730 1
1 354 . 9 1 1 A 36 36 LEU CA C 36 57.050 57.891 -0.841 1
1 355 . 9 1 1 A 36 36 LEU CB C 36 41.723 42.430 -0.707 1
1 359 . 9 1 1 A 36 36 LEU N N 36 127.956 128.840 -0.884 1
1 360 . 9 1 1 A 37 37 HIS H H 37 7.231 7.298 -0.067 1
1 361 . 9 1 1 A 37 37 HIS HA H 37 4.615 5.011 -0.396 1
1 366 . 9 1 1 A 37 37 HIS C C 37 171.558 171.700 -0.142 1
1 367 . 9 1 1 A 37 37 HIS CA C 37 55.005 53.839 1.166 1
1 368 . 9 1 1 A 37 37 HIS CB C 37 32.039 33.092 -1.053 1
1 371 . 9 1 1 A 37 37 HIS N N 37 112.948 112.746 0.202 1
1 372 . 9 1 1 A 38 38 TYR H H 38 9.836 9.000 0.836 1
1 373 . 9 1 1 A 38 38 TYR HA H 38 5.165 4.989 0.176 1
1 378 . 9 1 1 A 38 38 TYR C C 38 174.934 174.952 -0.018 1
1 379 . 9 1 1 A 38 38 TYR CA C 38 56.698 56.450 0.248 1
1 380 . 9 1 1 A 38 38 TYR CB C 38 40.251 39.353 0.898 1
1 385 . 9 1 1 A 38 38 TYR N N 38 116.581 116.862 -0.281 1
1 386 . 9 1 1 A 39 39 TRP H H 39 8.984 8.728 0.256 1
1 387 . 9 1 1 A 39 39 TRP HA H 39 5.307 4.800 0.507 1
1 396 . 9 1 1 A 39 39 TRP C C 39 173.996 175.034 -1.038 1
1 397 . 9 1 1 A 39 39 TRP CA C 39 55.798 58.324 -2.526 1
1 398 . 9 1 1 A 39 39 TRP CB C 39 31.998 29.488 2.510 1
1 404 . 9 1 1 A 39 39 TRP N N 39 124.201 128.492 -4.291 1
1 406 . 9 1 1 A 40 40 LEU H H 40 8.695 8.421 0.274 1
1 407 . 9 1 1 A 40 40 LEU HA H 40 5.636 4.967 0.669 1
1 417 . 9 1 1 A 40 40 LEU C C 40 175.416 174.821 0.595 1
1 418 . 9 1 1 A 40 40 LEU CA C 40 54.030 53.433 0.597 1
1 419 . 9 1 1 A 40 40 LEU CB C 40 44.846 44.719 0.127 1
1 423 . 9 1 1 A 40 40 LEU N N 40 132.690 129.667 3.023 1
1 424 . 9 1 1 A 41 41 THR H H 41 9.103 9.148 -0.045 1
1 425 . 9 1 1 A 41 41 THR HA H 41 5.341 4.850 0.491 1
1 430 . 9 1 1 A 41 41 THR C C 41 173.042 172.876 0.166 1
1 431 . 9 1 1 A 41 41 THR CA C 41 60.118 60.355 -0.237 1
1 432 . 9 1 1 A 41 41 THR CB C 41 71.493 70.694 0.799 1
1 434 . 9 1 1 A 41 41 THR N N 41 117.923 115.335 2.588 1
1 435 . 9 1 1 A 42 42 TYR H H 42 9.073 8.710 0.363 1
1 436 . 9 1 1 A 42 42 TYR HA H 42 5.915 6.099 -0.184 1
1 443 . 9 1 1 A 42 42 TYR C C 42 173.637 173.933 -0.296 1
1 444 . 9 1 1 A 42 42 TYR CA C 42 55.146 54.970 0.176 1
1 445 . 9 1 1 A 42 42 TYR CB C 42 42.124 42.264 -0.140 1
1 450 . 9 1 1 A 42 42 TYR N N 42 118.958 121.387 -2.429 1
1 451 . 9 1 1 A 43 43 ALA H H 43 8.508 8.945 -0.437 1
1 452 . 9 1 1 A 43 43 ALA HA H 43 5.099 4.940 0.159 1
1 456 . 9 1 1 A 43 43 ALA C C 43 173.859 174.344 -0.485 1
1 457 . 9 1 1 A 43 43 ALA CA C 43 50.156 50.621 -0.465 1
1 458 . 9 1 1 A 43 43 ALA CB C 43 21.455 22.332 -0.877 1
1 459 . 9 1 1 A 43 43 ALA N N 43 122.386 121.571 0.815 1
1 460 . 9 1 1 A 44 44 PRO HA H 44 4.079 4.392 -0.313 1
1 467 . 9 1 1 A 44 44 PRO C C 44 178.191 177.540 0.651 1
1 468 . 9 1 1 A 44 44 PRO CA C 44 63.194 62.484 0.710 1
1 469 . 9 1 1 A 44 44 PRO CB C 44 31.525 31.196 0.329 1
1 472 . 9 1 1 A 45 45 ALA H H 45 8.934 8.468 0.466 1
1 473 . 9 1 1 A 45 45 ALA HA H 45 3.965 3.992 -0.027 1
1 477 . 9 1 1 A 45 45 ALA C C 45 177.272 178.946 -1.674 1
1 478 . 9 1 1 A 45 45 ALA CA C 45 53.911 55.032 -1.121 1
1 479 . 9 1 1 A 45 45 ALA CB C 45 18.221 18.113 0.108 1
1 480 . 9 1 1 A 45 45 ALA N N 45 129.632 128.209 1.423 1
1 481 . 9 1 1 A 46 46 SER H H 46 8.311 7.717 0.594 1
1 482 . 9 1 1 A 46 46 SER HA H 46 4.193 4.512 -0.319 1
1 485 . 9 1 1 A 46 46 SER C C 46 175.546 173.532 2.014 1
1 486 . 9 1 1 A 46 46 SER CA C 46 58.584 58.218 0.366 1
1 487 . 9 1 1 A 46 46 SER CB C 46 63.543 63.300 0.243 1
1 488 . 9 1 1 A 46 46 SER N N 46 111.878 111.254 0.624 1
1 489 . 9 1 1 A 47 47 GLY H H 47 7.743 7.687 0.056 1
1 490 . 9 1 1 A 47 47 GLY HA2 H 47 4.203 3.882 0.321 1
1 491 . 9 1 1 A 47 47 GLY HA3 H 47 3.840 3.883 -0.043 1
1 492 . 9 1 1 A 47 47 GLY C C 47 174.463 175.198 -0.735 1
1 493 . 9 1 1 A 47 47 GLY CA C 47 45.501 47.058 -1.557 1
1 494 . 9 1 1 A 47 47 GLY N N 47 108.526 110.113 -1.587 1
1 495 . 9 1 1 A 48 48 LEU H H 48 7.794 8.086 -0.292 1
1 496 . 9 1 1 A 48 48 LEU HA H 48 4.448 4.537 -0.089 1
1 506 . 9 1 1 A 48 48 LEU C C 48 176.668 175.939 0.729 1
1 507 . 9 1 1 A 48 48 LEU CA C 48 54.470 53.834 0.636 1
1 508 . 9 1 1 A 48 48 LEU CB C 48 41.445 42.311 -0.866 1
1 512 . 9 1 1 A 48 48 LEU N N 48 120.348 120.389 -0.041 1
1 513 . 9 1 1 A 49 49 GLY H H 49 7.889 7.345 0.544 1
1 514 . 9 1 1 A 49 49 GLY HA2 H 49 4.266 4.081 0.185 1
1 515 . 9 1 1 A 49 49 GLY HA3 H 49 3.965 4.091 -0.126 1
1 516 . 9 1 1 A 49 49 GLY C C 49 170.653 172.625 -1.972 1
1 517 . 9 1 1 A 49 49 GLY CA C 49 44.151 44.075 0.076 1
1 518 . 9 1 1 A 49 49 GLY N N 49 108.892 107.536 1.356 1
1 519 . 9 1 1 A 50 50 PRO HA H 50 4.483 4.596 -0.113 1
1 526 . 9 1 1 A 50 50 PRO C C 50 176.143 175.909 0.234 1
1 527 . 9 1 1 A 50 50 PRO CA C 50 62.639 62.541 0.098 1
1 528 . 9 1 1 A 50 50 PRO CB C 50 32.575 33.188 -0.613 1
1 531 . 9 1 1 A 51 51 GLU H H 51 8.463 8.503 -0.040 1
1 532 . 9 1 1 A 51 51 GLU HA H 51 4.560 4.984 -0.424 1
1 537 . 9 1 1 A 51 51 GLU C C 51 175.792 175.124 0.668 1
1 538 . 9 1 1 A 51 51 GLU CA C 51 55.516 54.862 0.654 1
1 539 . 9 1 1 A 51 51 GLU CB C 51 31.305 33.081 -1.776 1
1 541 . 9 1 1 A 51 51 GLU N N 51 121.175 118.050 3.125 1
1 542 . 9 1 1 A 52 52 LYS H H 52 8.180 8.223 -0.043 1
1 543 . 9 1 1 A 52 52 LYS HA H 52 4.511 4.769 -0.258 1
1 552 . 9 1 1 A 52 52 LYS C C 52 174.000 175.433 -1.433 1
1 553 . 9 1 1 A 52 52 LYS CA C 52 54.952 54.295 0.657 1
1 554 . 9 1 1 A 52 52 LYS CB C 52 36.101 34.661 1.440 1
1 558 . 9 1 1 A 52 52 LYS N N 52 125.598 123.085 2.513 1
1 559 . 9 1 1 A 53 53 SER H H 53 8.087 8.576 -0.489 1
1 560 . 9 1 1 A 53 53 SER HA H 53 5.637 4.913 0.724 1
1 563 . 9 1 1 A 53 53 SER C C 53 173.704 173.078 0.626 1
1 564 . 9 1 1 A 53 53 SER CA C 53 56.662 57.297 -0.635 1
1 565 . 9 1 1 A 53 53 SER CB C 53 67.219 65.512 1.707 1
1 566 . 9 1 1 A 53 53 SER N N 53 112.778 115.813 -3.035 1
1 567 . 9 1 1 A 54 54 VAL H H 54 8.940 8.677 0.263 1
1 568 . 9 1 1 A 54 54 VAL HA H 54 4.314 4.858 -0.544 1
1 576 . 9 1 1 A 54 54 VAL C C 54 172.304 174.292 -1.988 1
1 577 . 9 1 1 A 54 54 VAL CA C 54 60.506 59.472 1.034 1
1 578 . 9 1 1 A 54 54 VAL CB C 54 36.121 34.923 1.198 1
1 581 . 9 1 1 A 54 54 VAL N N 54 119.961 120.317 -0.356 1
1 582 . 9 1 1 A 55 55 SER H H 55 8.180 8.851 -0.671 1
1 583 . 9 1 1 A 55 55 SER HA H 55 5.461 5.033 0.428 1
1 586 . 9 1 1 A 55 55 SER C C 55 174.870 173.992 0.878 1
1 587 . 9 1 1 A 55 55 SER CA C 55 56.065 58.417 -2.352 1
1 588 . 9 1 1 A 55 55 SER CB C 55 64.094 63.988 0.106 1
1 589 . 9 1 1 A 55 55 SER N N 55 117.963 119.852 -1.889 1
1 590 . 9 1 1 A 56 56 VAL H H 56 9.201 8.704 0.497 1
1 591 . 9 1 1 A 56 56 VAL HA H 56 4.780 4.617 0.163 1
1 599 . 9 1 1 A 56 56 VAL C C 56 173.446 174.105 -0.659 1
1 600 . 9 1 1 A 56 56 VAL CA C 56 58.760 58.885 -0.125 1
1 601 . 9 1 1 A 56 56 VAL CB C 56 35.954 35.617 0.337 1
1 604 . 9 1 1 A 56 56 VAL N N 56 127.863 126.422 1.441 1
1 605 . 9 1 1 A 57 57 PRO HA H 57 4.582 4.643 -0.061 1
1 612 . 9 1 1 A 57 57 PRO C C 57 176.776 178.597 -1.821 1
1 613 . 9 1 1 A 57 57 PRO CA C 57 64.226 63.513 0.713 1
1 614 . 9 1 1 A 57 57 PRO CB C 57 33.063 31.792 1.271 1
1 617 . 9 1 1 A 58 58 GLY H H 58 7.663 8.841 -1.178 1
1 618 . 9 1 1 A 58 58 GLY HA2 H 58 3.684 3.688 -0.004 1
1 619 . 9 1 1 A 58 58 GLY HA3 H 58 3.620 3.727 -0.107 1
1 620 . 9 1 1 A 58 58 GLY C C 58 173.755 175.699 -1.944 1
1 621 . 9 1 1 A 58 58 GLY CA C 58 46.877 47.289 -0.412 1
1 622 . 9 1 1 A 58 58 GLY N N 58 106.964 113.119 -6.155 1
1 623 . 9 1 1 A 59 59 ALA H H 59 7.900 8.173 -0.273 1
1 624 . 9 1 1 A 59 59 ALA HA H 59 4.516 4.088 0.428 1
1 628 . 9 1 1 A 59 59 ALA C C 59 178.104 177.601 0.503 1
1 629 . 9 1 1 A 59 59 ALA CA C 59 52.713 55.150 -2.437 1
1 630 . 9 1 1 A 59 59 ALA CB C 59 19.380 18.968 0.412 1
1 631 . 9 1 1 A 59 59 ALA N N 59 119.932 124.128 -4.196 1
1 632 . 9 1 1 A 60 60 ARG H H 60 8.306 8.184 0.122 1
1 633 . 9 1 1 A 60 60 ARG HA H 60 4.559 4.856 -0.297 1
1 640 . 9 1 1 A 60 60 ARG C C 60 174.842 175.452 -0.610 1
1 641 . 9 1 1 A 60 60 ARG CA C 60 55.357 55.073 0.284 1
1 642 . 9 1 1 A 60 60 ARG CB C 60 32.823 32.197 0.626 1
1 645 . 9 1 1 A 60 60 ARG N N 60 118.739 116.080 2.659 1
1 646 . 9 1 1 A 61 61 SER H H 61 8.229 8.892 -0.663 1
1 647 . 9 1 1 A 61 61 SER HA H 61 3.709 4.423 -0.714 1
1 650 . 9 1 1 A 61 61 SER C C 61 170.973 172.638 -1.665 1
1 651 . 9 1 1 A 61 61 SER CA C 61 56.045 57.423 -1.378 1
1 652 . 9 1 1 A 61 61 SER CB C 61 63.329 62.687 0.642 1
1 653 . 9 1 1 A 61 61 SER N N 61 110.956 113.614 -2.658 1
1 654 . 9 1 1 A 62 62 HIS H H 62 6.458 7.020 -0.562 1
1 655 . 9 1 1 A 62 62 HIS HA H 62 4.626 4.107 0.519 1
1 660 . 9 1 1 A 62 62 HIS C C 62 173.581 173.150 0.431 1
1 661 . 9 1 1 A 62 62 HIS CA C 62 54.494 53.757 0.737 1
1 662 . 9 1 1 A 62 62 HIS CB C 62 32.485 31.461 1.024 1
1 665 . 9 1 1 A 62 62 HIS N N 62 113.571 115.970 -2.399 1
1 666 . 9 1 1 A 63 63 VAL H H 63 8.794 8.387 0.407 1
1 667 . 9 1 1 A 63 63 VAL HA H 63 4.325 4.436 -0.111 1
1 675 . 9 1 1 A 63 63 VAL C C 63 171.906 174.058 -2.152 1
1 676 . 9 1 1 A 63 63 VAL CA C 63 61.052 60.288 0.764 1
1 677 . 9 1 1 A 63 63 VAL CB C 63 34.800 34.858 -0.058 1
1 680 . 9 1 1 A 63 63 VAL N N 63 118.122 119.087 -0.965 1
1 681 . 9 1 1 A 64 64 THR H H 64 8.316 8.706 -0.390 1
1 682 . 9 1 1 A 64 64 THR HA H 64 4.970 4.900 0.070 1
1 687 . 9 1 1 A 64 64 THR C C 64 173.412 173.291 0.121 1
1 688 . 9 1 1 A 64 64 THR CA C 64 61.775 61.610 0.165 1
1 689 . 9 1 1 A 64 64 THR CB C 64 69.851 70.394 -0.543 1
1 691 . 9 1 1 A 64 64 THR N N 64 122.871 122.244 0.627 1
1 692 . 9 1 1 A 65 65 LEU H H 65 9.348 8.675 0.673 1
1 693 . 9 1 1 A 65 65 LEU HA H 65 4.584 4.758 -0.174 1
1 703 . 9 1 1 A 65 65 LEU C C 65 173.397 174.931 -1.534 1
1 704 . 9 1 1 A 65 65 LEU CA C 65 50.297 51.157 -0.860 1
1 705 . 9 1 1 A 65 65 LEU CB C 65 41.547 42.156 -0.609 1
1 709 . 9 1 1 A 65 65 LEU N N 65 129.778 127.639 2.139 1
1 710 . 9 1 1 A 66 66 PRO HA H 66 4.868 4.336 0.532 1
1 717 . 9 1 1 A 66 66 PRO C C 66 175.188 176.754 -1.566 1
1 718 . 9 1 1 A 66 66 PRO CA C 66 61.370 62.678 -1.308 1
1 719 . 9 1 1 A 66 66 PRO CB C 66 33.700 32.670 1.030 1
1 722 . 9 1 1 A 67 67 ASP H H 67 8.729 8.662 0.067 1
1 723 . 9 1 1 A 67 67 ASP HA H 67 4.333 4.200 0.133 1
1 726 . 9 1 1 A 67 67 ASP C C 67 175.824 174.744 1.080 1
1 727 . 9 1 1 A 67 67 ASP CA C 67 55.181 54.985 0.196 1
1 728 . 9 1 1 A 67 67 ASP CB C 67 39.225 39.529 -0.304 1
1 729 . 9 1 1 A 67 67 ASP N N 67 113.984 121.606 -7.622 1
1 730 . 9 1 1 A 68 68 LEU H H 68 8.599 7.650 0.949 1
1 731 . 9 1 1 A 68 68 LEU HA H 68 4.414 4.705 -0.291 1
1 741 . 9 1 1 A 68 68 LEU C C 68 176.487 175.798 0.689 1
1 742 . 9 1 1 A 68 68 LEU CA C 68 53.259 53.169 0.090 1
1 743 . 9 1 1 A 68 68 LEU CB C 68 41.630 44.792 -3.162 1
1 747 . 9 1 1 A 68 68 LEU N N 68 118.102 118.545 -0.443 1
1 748 . 9 1 1 A 69 69 GLN H H 69 8.114 8.702 -0.588 1
1 749 . 9 1 1 A 69 69 GLN HA H 69 4.349 4.843 -0.494 1
1 756 . 9 1 1 A 69 69 GLN C C 69 175.669 175.113 0.556 1
1 757 . 9 1 1 A 69 69 GLN CA C 69 54.722 54.368 0.354 1
1 758 . 9 1 1 A 69 69 GLN CB C 69 30.803 31.462 -0.659 1
1 760 . 9 1 1 A 69 69 GLN N N 69 118.191 119.585 -1.394 1
1 762 . 9 1 1 A 70 70 ALA H H 70 8.240 8.653 -0.413 1
1 763 . 9 1 1 A 70 70 ALA HA H 70 4.835 4.762 0.073 1
1 767 . 9 1 1 A 70 70 ALA C C 70 178.720 177.195 1.525 1
1 768 . 9 1 1 A 70 70 ALA CA C 70 52.501 50.676 1.825 1
1 769 . 9 1 1 A 70 70 ALA CB C 70 20.257 20.981 -0.724 1
1 770 . 9 1 1 A 70 70 ALA N N 70 124.989 122.137 2.852 1
1 771 . 9 1 1 A 71 71 ALA H H 71 8.003 8.481 -0.478 1
1 772 . 9 1 1 A 71 71 ALA HA H 71 3.974 3.869 0.105 1
1 776 . 9 1 1 A 71 71 ALA C C 71 176.118 176.004 0.114 1
1 777 . 9 1 1 A 71 71 ALA CA C 71 52.491 53.215 -0.724 1
1 778 . 9 1 1 A 71 71 ALA CB C 71 18.439 17.859 0.580 1
1 779 . 9 1 1 A 71 71 ALA N N 71 128.133 119.714 8.419 1
1 780 . 9 1 1 A 72 72 THR H H 72 8.391 8.025 0.366 1
1 781 . 9 1 1 A 72 72 THR HA H 72 4.563 4.695 -0.132 1
1 786 . 9 1 1 A 72 72 THR C C 72 172.643 174.111 -1.468 1
1 787 . 9 1 1 A 72 72 THR CA C 72 62.856 61.677 1.179 1
1 788 . 9 1 1 A 72 72 THR CB C 72 71.924 71.222 0.702 1
1 790 . 9 1 1 A 72 72 THR N N 72 114.280 111.307 2.973 1
1 791 . 9 1 1 A 73 73 LYS H H 73 8.691 8.446 0.245 1
1 792 . 9 1 1 A 73 73 LYS HA H 73 4.846 4.700 0.146 1
1 801 . 9 1 1 A 73 73 LYS C C 73 176.405 175.586 0.819 1
1 802 . 9 1 1 A 73 73 LYS CA C 73 55.992 55.873 0.119 1
1 803 . 9 1 1 A 73 73 LYS CB C 73 33.535 33.089 0.446 1
1 807 . 9 1 1 A 73 73 LYS N N 73 125.989 126.493 -0.504 1
1 808 . 9 1 1 A 74 74 TYR H H 74 9.569 8.708 0.861 1
1 809 . 9 1 1 A 74 74 TYR HA H 74 4.758 5.175 -0.417 1
1 816 . 9 1 1 A 74 74 TYR C C 74 173.567 174.805 -1.238 1
1 817 . 9 1 1 A 74 74 TYR CA C 74 58.778 56.518 2.260 1
1 818 . 9 1 1 A 74 74 TYR CB C 74 42.667 41.645 1.022 1
1 823 . 9 1 1 A 74 74 TYR N N 74 126.436 117.609 8.827 1
1 824 . 9 1 1 A 75 75 ARG H H 75 9.005 8.831 0.174 1
1 825 . 9 1 1 A 75 75 ARG HA H 75 5.053 4.685 0.368 1
1 832 . 9 1 1 A 75 75 ARG C C 75 175.042 174.847 0.195 1
1 833 . 9 1 1 A 75 75 ARG CA C 75 55.027 56.572 -1.545 1
1 834 . 9 1 1 A 75 75 ARG CB C 75 32.284 30.524 1.760 1
1 837 . 9 1 1 A 75 75 ARG N N 75 121.560 125.558 -3.998 1
1 838 . 9 1 1 A 76 76 VAL H H 76 9.127 8.940 0.187 1
1 839 . 9 1 1 A 76 76 VAL HA H 76 4.977 4.548 0.429 1
1 847 . 9 1 1 A 76 76 VAL C C 76 173.144 175.274 -2.130 1
1 848 . 9 1 1 A 76 76 VAL CA C 76 60.876 62.356 -1.480 1
1 849 . 9 1 1 A 76 76 VAL CB C 76 34.922 31.620 3.302 1
1 852 . 9 1 1 A 76 76 VAL N N 76 127.571 127.398 0.173 1
1 853 . 9 1 1 A 77 77 LEU H H 77 9.083 9.550 -0.467 1
1 854 . 9 1 1 A 77 77 LEU HA H 77 5.350 5.584 -0.234 1
1 864 . 9 1 1 A 77 77 LEU C C 77 176.622 175.914 0.708 1
1 865 . 9 1 1 A 77 77 LEU CA C 77 53.911 53.205 0.706 1
1 866 . 9 1 1 A 77 77 LEU CB C 77 44.959 42.722 2.237 1
1 870 . 9 1 1 A 77 77 LEU N N 77 127.310 128.886 -1.576 1
1 871 . 9 1 1 A 78 78 VAL H H 78 8.918 8.538 0.380 1
1 872 . 9 1 1 A 78 78 VAL HA H 78 4.890 4.889 0.001 1
1 880 . 9 1 1 A 78 78 VAL C C 78 174.235 174.902 -0.667 1
1 881 . 9 1 1 A 78 78 VAL CA C 78 61.193 60.721 0.472 1
1 882 . 9 1 1 A 78 78 VAL CB C 78 34.718 34.148 0.570 1
1 885 . 9 1 1 A 78 78 VAL N N 78 119.228 126.201 -6.973 1
1 886 . 9 1 1 A 79 79 SER H H 79 8.598 8.568 0.030 1
1 887 . 9 1 1 A 79 79 SER HA H 79 4.725 4.967 -0.242 1
1 890 . 9 1 1 A 79 79 SER C C 79 172.877 172.993 -0.116 1
1 891 . 9 1 1 A 79 79 SER CA C 79 56.680 57.550 -0.870 1
1 892 . 9 1 1 A 79 79 SER CB C 79 65.806 66.382 -0.576 1
1 893 . 9 1 1 A 79 79 SER N N 79 119.664 123.503 -3.839 1
1 894 . 9 1 1 A 80 80 ALA H H 80 8.939 8.179 0.760 1
1 895 . 9 1 1 A 80 80 ALA HA H 80 4.325 4.799 -0.474 1
1 899 . 9 1 1 A 80 80 ALA C C 80 174.050 176.914 -2.864 1
1 900 . 9 1 1 A 80 80 ALA CA C 80 51.126 51.351 -0.225 1
1 901 . 9 1 1 A 80 80 ALA CB C 80 21.990 19.891 2.099 1
1 902 . 9 1 1 A 80 80 ALA N N 80 126.283 127.513 -1.230 1
1 903 . 9 1 1 A 81 81 ILE H H 81 8.424 8.244 0.180 1
1 904 . 9 1 1 A 81 81 ILE HA H 81 4.116 4.698 -0.582 1
1 914 . 9 1 1 A 81 81 ILE C C 81 173.862 174.172 -0.310 1
1 915 . 9 1 1 A 81 81 ILE CA C 81 61.175 60.185 0.990 1
1 916 . 9 1 1 A 81 81 ILE CB C 81 36.015 39.100 -3.085 1
1 920 . 9 1 1 A 81 81 ILE N N 81 123.033 122.722 0.311 1
1 921 . 9 1 1 A 82 82 TYR H H 82 8.377 8.552 -0.175 1
1 922 . 9 1 1 A 82 82 TYR HA H 82 4.681 4.923 -0.242 1
1 929 . 9 1 1 A 82 82 TYR C C 82 176.146 175.891 0.255 1
1 930 . 9 1 1 A 82 82 TYR CA C 82 56.309 56.816 -0.507 1
1 931 . 9 1 1 A 82 82 TYR CB C 82 40.734 43.033 -2.299 1
1 936 . 9 1 1 A 82 82 TYR N N 82 125.168 124.212 0.956 1
1 937 . 9 1 1 A 83 83 ALA H H 83 9.437 9.008 0.429 1
1 938 . 9 1 1 A 83 83 ALA HA H 83 4.059 4.103 -0.044 1
1 942 . 9 1 1 A 83 83 ALA C C 83 179.312 179.996 -0.684 1
1 943 . 9 1 1 A 83 83 ALA CA C 83 55.729 55.536 0.193 1
1 944 . 9 1 1 A 83 83 ALA CB C 83 17.613 18.061 -0.448 1
1 945 . 9 1 1 A 83 83 ALA N N 83 125.234 124.351 0.883 1
1 946 . 9 1 1 A 84 84 ALA H H 84 7.823 7.838 -0.015 1
1 947 . 9 1 1 A 84 84 ALA HA H 84 4.434 4.145 0.289 1
1 951 . 9 1 1 A 84 84 ALA C C 84 176.808 177.506 -0.698 1
1 952 . 9 1 1 A 84 84 ALA CA C 84 51.936 54.436 -2.500 1
1 953 . 9 1 1 A 84 84 ALA CB C 84 19.514 19.963 -0.449 1
1 954 . 9 1 1 A 84 84 ALA N N 84 114.587 119.673 -5.086 1
1 955 . 9 1 1 A 85 85 GLY H H 85 7.366 7.351 0.015 1
1 956 . 9 1 1 A 85 85 GLY HA2 H 85 4.362 4.061 0.301 1
1 957 . 9 1 1 A 85 85 GLY HA3 H 85 3.835 4.066 -0.231 1
1 958 . 9 1 1 A 85 85 GLY C C 85 171.544 171.932 -0.388 1
1 959 . 9 1 1 A 85 85 GLY CA C 85 44.576 45.693 -1.117 1
1 960 . 9 1 1 A 85 85 GLY N N 85 105.342 102.011 3.331 1
1 961 . 9 1 1 A 86 86 ARG H H 86 8.626 8.498 0.128 1
1 962 . 9 1 1 A 86 86 ARG HA H 86 5.263 4.952 0.311 1
1 969 . 9 1 1 A 86 86 ARG C C 86 176.925 176.193 0.732 1
1 970 . 9 1 1 A 86 86 ARG CA C 86 54.863 55.902 -1.039 1
1 971 . 9 1 1 A 86 86 ARG CB C 86 33.491 31.172 2.319 1
1 974 . 9 1 1 A 86 86 ARG N N 86 118.147 117.427 0.720 1
1 975 . 9 1 1 A 87 87 SER H H 87 9.496 9.014 0.482 1
1 976 . 9 1 1 A 87 87 SER HA H 87 4.747 4.696 0.051 1
1 979 . 9 1 1 A 87 87 SER C C 87 174.538 174.588 -0.050 1
1 980 . 9 1 1 A 87 87 SER CA C 87 58.284 57.636 0.648 1
1 981 . 9 1 1 A 87 87 SER CB C 87 67.271 65.632 1.639 1
1 982 . 9 1 1 A 87 87 SER N N 87 119.835 114.861 4.974 1
1 983 . 9 1 1 A 88 88 GLU H H 88 9.058 8.594 0.464 1
1 984 . 9 1 1 A 88 88 GLU HA H 88 4.342 4.219 0.123 1
1 989 . 9 1 1 A 88 88 GLU C C 88 176.157 175.756 0.401 1
1 990 . 9 1 1 A 88 88 GLU CA C 88 56.874 55.857 1.017 1
1 991 . 9 1 1 A 88 88 GLU CB C 88 30.350 30.293 0.057 1
1 993 . 9 1 1 A 88 88 GLU N N 88 119.700 120.109 -0.409 1
1 994 . 9 1 1 A 89 89 ALA H H 89 8.674 8.505 0.169 1
1 995 . 9 1 1 A 89 89 ALA HA H 89 4.918 5.258 -0.340 1
1 999 . 9 1 1 A 89 89 ALA C C 89 178.887 176.125 2.762 1
1 1000 . 9 1 1 A 89 89 ALA CA C 89 51.340 50.420 0.920 1
1 1001 . 9 1 1 A 89 89 ALA CB C 89 20.130 21.828 -1.698 1
1 1002 . 9 1 1 A 89 89 ALA N N 89 125.485 122.050 3.435 1
1 1003 . 9 1 1 A 90 90 VAL H H 90 8.621 8.631 -0.010 1
1 1004 . 9 1 1 A 90 90 VAL HA H 90 4.562 4.903 -0.341 1
1 1012 . 9 1 1 A 90 90 VAL C C 90 174.251 175.531 -1.280 1
1 1013 . 9 1 1 A 90 90 VAL CA C 90 60.365 60.483 -0.118 1
1 1014 . 9 1 1 A 90 90 VAL CB C 90 33.770 33.565 0.205 1
1 1017 . 9 1 1 A 90 90 VAL N N 90 119.440 119.127 0.313 1
1 1018 . 9 1 1 A 91 91 SER H H 91 8.373 8.661 -0.288 1
1 1019 . 9 1 1 A 91 91 SER HA H 91 5.877 5.035 0.842 1
1 1022 . 9 1 1 A 91 91 SER C C 91 174.245 173.698 0.547 1
1 1023 . 9 1 1 A 91 91 SER CA C 91 56.109 57.795 -1.686 1
1 1024 . 9 1 1 A 91 91 SER CB C 91 67.620 64.614 3.006 1
1 1025 . 9 1 1 A 91 91 SER N N 91 116.084 123.784 -7.700 1
1 1026 . 9 1 1 A 92 92 ALA H H 92 8.900 8.666 0.234 1
1 1027 . 9 1 1 A 92 92 ALA HA H 92 4.681 4.846 -0.165 1
1 1031 . 9 1 1 A 92 92 ALA C C 92 175.187 175.922 -0.735 1
1 1032 . 9 1 1 A 92 92 ALA CA C 92 51.990 51.985 0.005 1
1 1033 . 9 1 1 A 92 92 ALA CB C 92 23.056 23.047 0.009 1
1 1034 . 9 1 1 A 92 92 ALA N N 92 123.885 123.557 0.328 1
1 1035 . 9 1 1 A 93 93 THR H H 93 8.466 8.711 -0.245 1
1 1036 . 9 1 1 A 93 93 THR HA H 93 5.623 5.219 0.404 1
1 1041 . 9 1 1 A 93 93 THR C C 93 174.366 174.155 0.211 1
1 1042 . 9 1 1 A 93 93 THR CA C 93 60.154 60.109 0.045 1
1 1043 . 9 1 1 A 93 93 THR CB C 93 71.657 70.571 1.086 1
1 1045 . 9 1 1 A 93 93 THR N N 93 112.591 113.615 -1.024 1
1 1046 . 9 1 1 A 94 94 GLY H H 94 8.657 8.793 -0.136 1
1 1047 . 9 1 1 A 94 94 GLY HA2 H 94 4.483 4.245 0.238 1
1 1048 . 9 1 1 A 94 94 GLY HA3 H 94 3.625 4.259 -0.634 1
1 1049 . 9 1 1 A 94 94 GLY C C 94 170.518 173.290 -2.772 1
1 1050 . 9 1 1 A 94 94 GLY CA C 94 44.849 44.942 -0.093 1
1 1051 . 9 1 1 A 94 94 GLY N N 94 111.375 109.432 1.943 1
1 1052 . 9 1 1 A 95 95 GLN H H 95 8.667 8.553 0.114 1
1 1053 . 9 1 1 A 95 95 GLN HA H 95 5.491 4.221 1.270 1
1 1060 . 9 1 1 A 95 95 GLN C C 95 176.226 175.372 0.854 1
1 1061 . 9 1 1 A 95 95 GLN CA C 95 54.000 56.525 -2.525 1
1 1062 . 9 1 1 A 95 95 GLN CB C 95 32.822 29.293 3.529 1
1 1064 . 9 1 1 A 95 95 GLN N N 95 120.893 126.025 -5.132 1
1 1066 . 9 1 1 A 96 96 THR H H 96 8.609 8.579 0.030 1
1 1067 . 9 1 1 A 96 96 THR HA H 96 4.384 4.488 -0.104 1
1 1072 . 9 1 1 A 96 96 THR C C 96 175.194 174.152 1.042 1
1 1073 . 9 1 1 A 96 96 THR CA C 96 60.783 61.588 -0.805 1
1 1074 . 9 1 1 A 96 96 THR CB C 96 70.198 70.986 -0.788 1
1 1076 . 9 1 1 A 96 96 THR N N 96 115.777 116.682 -0.905 1
1 1077 . 9 1 1 A 97 97 ALA H H 97 8.009 8.450 -0.441 1
1 1078 . 9 1 1 A 97 97 ALA HA H 97 4.186 4.570 -0.384 1
1 1082 . 9 1 1 A 97 97 ALA C C 97 176.174 176.623 -0.449 1
1 1083 . 9 1 1 A 97 97 ALA CA C 97 52.077 51.467 0.610 1
1 1084 . 9 1 1 A 97 97 ALA CB C 97 19.001 19.812 -0.811 1
1 1085 . 9 1 1 A 97 97 ALA N N 97 120.015 123.135 -3.120 1
1 1086 . 9 1 1 A 98 98 CYS H H 98 8.239 8.573 -0.334 1
1 1087 . 9 1 1 A 98 98 CYS HA H 98 4.705 4.730 -0.025 1
1 1090 . 9 1 1 A 98 98 CYS C C 98 173.203 174.813 -1.610 1
1 1091 . 9 1 1 A 98 98 CYS CA C 98 56.644 56.604 0.040 1
1 1092 . 9 1 1 A 98 98 CYS CB C 98 27.357 28.532 -1.175 1
1 1093 . 9 1 1 A 98 98 CYS N N 98 116.874 122.186 -5.312 1
1 1094 . 9 1 1 A 99 99 PRO HA H 99 4.421 4.457 -0.036 1
1 1101 . 9 1 1 A 99 99 PRO CA C 99 63.337 64.733 -1.396 1
1 1102 . 9 1 1 A 99 99 PRO CB C 99 32.132 32.105 0.027 1
1 1105 . 9 1 1 A 100 100 SER H H 100 8.463 7.523 0.940 1
1 1106 . 9 1 1 A 100 100 SER HA H 100 4.470 4.918 -0.448 1
1 1109 . 9 1 1 A 100 100 SER CA C 100 58.453 57.652 0.801 1
1 1110 . 9 1 1 A 100 100 SER CB C 100 64.023 65.540 -1.517 1
1 1111 . 9 1 1 A 100 100 SER N N 100 116.426 108.281 8.145 1
1 1112 . 9 1 1 A 101 101 GLY H H 101 8.237 8.967 -0.730 1
1 1113 . 9 1 1 A 101 101 GLY HA2 H 101 4.165 4.163 0.002 1
1 1114 . 9 1 1 A 101 101 GLY HA3 H 101 4.100 4.164 -0.064 1
1 1115 . 9 1 1 A 101 101 GLY CA C 101 44.647 44.140 0.507 1
1 1116 . 9 1 1 A 101 101 GLY N N 101 110.731 110.006 0.725 1
1 1117 . 9 1 1 A 102 102 PRO HA H 102 4.484 4.717 -0.233 1
1 1123 . 9 1 1 A 102 102 PRO CA C 102 63.069 62.525 0.544 1
1 1124 . 9 1 1 A 102 102 PRO CB C 102 32.189 30.198 1.991 1
1 1127 . 9 1 1 A 103 103 SER H H 103 8.540 8.453 0.087 1
1 1 . 10 1 1 A 5 5 SER N N 5 119.122 117.177 1.945 1
1 2 . 10 1 1 A 6 6 SER N N 6 123.945 120.300 3.645 1
1 3 . 10 1 1 A 7 7 GLY HA2 H 7 3.813 3.855 -0.042 1
1 4 . 10 1 1 A 7 7 GLY HA3 H 7 3.813 3.858 -0.045 1
1 5 . 10 1 1 A 7 7 GLY CA C 7 45.375 45.448 -0.073 1
1 6 . 10 1 1 A 8 8 ARG H H 8 7.999 7.681 0.318 1
1 7 . 10 1 1 A 8 8 ARG HA H 8 3.712 3.976 -0.264 1
1 14 . 10 1 1 A 8 8 ARG CA C 8 54.185 53.775 0.410 1
1 15 . 10 1 1 A 8 8 ARG CB C 8 29.555 33.882 -4.327 1
1 18 . 10 1 1 A 8 8 ARG N N 8 121.209 119.912 1.297 1
1 19 . 10 1 1 A 9 9 SER H H 9 7.810 8.592 -0.782 1
1 20 . 10 1 1 A 9 9 SER HA H 9 4.725 5.030 -0.305 1
1 23 . 10 1 1 A 9 9 SER CA C 9 58.455 55.452 3.003 1
1 24 . 10 1 1 A 9 9 SER CB C 9 62.966 65.851 -2.885 1
1 25 . 10 1 1 A 9 9 SER N N 9 118.072 117.523 0.549 1
1 26 . 10 1 1 A 10 10 PRO HA H 10 5.182 5.081 0.101 1
1 33 . 10 1 1 A 10 10 PRO CA C 10 61.759 61.387 0.372 1
1 34 . 10 1 1 A 10 10 PRO CB C 10 30.280 31.731 -1.451 1
1 37 . 10 1 1 A 11 11 PRO HA H 11 4.567 4.660 -0.093 1
1 44 . 10 1 1 A 11 11 PRO C C 11 173.556 176.156 -2.600 1
1 45 . 10 1 1 A 11 11 PRO CA C 11 62.674 62.591 0.083 1
1 46 . 10 1 1 A 11 11 PRO CB C 11 33.026 31.532 1.494 1
1 49 . 10 1 1 A 12 12 SER H H 12 8.427 8.636 -0.209 1
1 50 . 10 1 1 A 12 12 SER HA H 12 4.890 4.991 -0.101 1
1 53 . 10 1 1 A 12 12 SER C C 12 173.115 173.792 -0.677 1
1 54 . 10 1 1 A 12 12 SER CA C 12 56.556 57.234 -0.678 1
1 55 . 10 1 1 A 12 12 SER CB C 12 66.882 65.823 1.059 1
1 56 . 10 1 1 A 12 12 SER N N 12 111.345 118.320 -6.975 1
1 57 . 10 1 1 A 13 13 ASN H H 13 8.973 8.805 0.168 1
1 58 . 10 1 1 A 13 13 ASN HA H 13 4.318 4.258 0.060 1
1 63 . 10 1 1 A 13 13 ASN C C 13 173.850 174.692 -0.842 1
1 64 . 10 1 1 A 13 13 ASN CA C 13 53.928 54.165 -0.237 1
1 65 . 10 1 1 A 13 13 ASN CB C 13 37.365 36.889 0.476 1
1 66 . 10 1 1 A 13 13 ASN N N 13 115.970 116.843 -0.873 1
1 68 . 10 1 1 A 14 14 LEU H H 14 8.223 8.114 0.109 1
1 69 . 10 1 1 A 14 14 LEU HA H 14 4.857 4.338 0.519 1
1 79 . 10 1 1 A 14 14 LEU C C 14 176.725 176.991 -0.266 1
1 80 . 10 1 1 A 14 14 LEU CA C 14 56.115 56.255 -0.140 1
1 81 . 10 1 1 A 14 14 LEU CB C 14 42.621 41.984 0.637 1
1 85 . 10 1 1 A 14 14 LEU N N 14 119.681 119.882 -0.201 1
1 86 . 10 1 1 A 15 15 ALA H H 15 9.364 8.391 0.973 1
1 87 . 10 1 1 A 15 15 ALA HA H 15 4.736 5.105 -0.369 1
1 91 . 10 1 1 A 15 15 ALA C C 15 175.056 175.378 -0.322 1
1 92 . 10 1 1 A 15 15 ALA CA C 15 51.496 50.759 0.737 1
1 93 . 10 1 1 A 15 15 ALA CB C 15 22.285 21.043 1.242 1
1 94 . 10 1 1 A 15 15 ALA N N 15 130.359 126.572 3.787 1
1 95 . 10 1 1 A 16 16 LEU H H 16 8.448 9.119 -0.671 1
1 96 . 10 1 1 A 16 16 LEU HA H 16 5.385 5.077 0.308 1
1 106 . 10 1 1 A 16 16 LEU C C 16 175.868 175.956 -0.088 1
1 107 . 10 1 1 A 16 16 LEU CA C 16 53.224 53.618 -0.394 1
1 108 . 10 1 1 A 16 16 LEU CB C 16 45.061 42.664 2.397 1
1 112 . 10 1 1 A 16 16 LEU N N 16 120.470 124.077 -3.607 1
1 113 . 10 1 1 A 17 17 ALA H H 17 8.737 9.505 -0.768 1
1 114 . 10 1 1 A 17 17 ALA HA H 17 4.620 5.378 -0.758 1
1 118 . 10 1 1 A 17 17 ALA C C 17 175.371 175.209 0.162 1
1 119 . 10 1 1 A 17 17 ALA CA C 17 51.249 50.157 1.092 1
1 120 . 10 1 1 A 17 17 ALA CB C 17 22.570 21.463 1.107 1
1 121 . 10 1 1 A 17 17 ALA N N 17 124.938 128.459 -3.521 1
1 122 . 10 1 1 A 18 18 SER H H 18 8.675 8.769 -0.094 1
1 123 . 10 1 1 A 18 18 SER HA H 18 5.021 4.768 0.253 1
1 126 . 10 1 1 A 18 18 SER C C 18 174.678 174.761 -0.083 1
1 127 . 10 1 1 A 18 18 SER CA C 18 57.244 56.879 0.365 1
1 128 . 10 1 1 A 18 18 SER CB C 18 64.200 64.076 0.124 1
1 129 . 10 1 1 A 18 18 SER N N 18 113.933 118.210 -4.277 1
1 130 . 10 1 1 A 19 19 GLU H H 19 9.743 8.751 0.992 1
1 131 . 10 1 1 A 19 19 GLU HA H 19 4.466 4.497 -0.031 1
1 136 . 10 1 1 A 19 19 GLU C C 19 176.368 176.319 0.049 1
1 137 . 10 1 1 A 19 19 GLU CA C 19 56.295 56.753 -0.458 1
1 138 . 10 1 1 A 19 19 GLU CB C 19 31.532 30.894 0.638 1
1 140 . 10 1 1 A 19 19 GLU N N 19 127.234 125.519 1.715 1
1 141 . 10 1 1 A 20 20 THR H H 20 7.759 7.545 0.214 1
1 142 . 10 1 1 A 20 20 THR HA H 20 4.935 4.636 0.299 1
1 147 . 10 1 1 A 20 20 THR C C 20 171.770 173.649 -1.879 1
1 148 . 10 1 1 A 20 20 THR CA C 20 58.337 58.455 -0.118 1
1 149 . 10 1 1 A 20 20 THR CB C 20 69.869 71.197 -1.328 1
1 151 . 10 1 1 A 20 20 THR N N 20 109.600 113.813 -4.213 1
1 152 . 10 1 1 A 21 21 PRO HA H 21 4.587 4.490 0.097 1
1 159 . 10 1 1 A 21 21 PRO C C 21 173.647 176.699 -3.052 1
1 160 . 10 1 1 A 21 21 PRO CA C 21 64.332 64.073 0.259 1
1 161 . 10 1 1 A 21 21 PRO CB C 21 32.380 31.603 0.777 1
1 164 . 10 1 1 A 22 22 ASP H H 22 7.420 8.100 -0.680 1
1 165 . 10 1 1 A 22 22 ASP HA H 22 4.648 4.909 -0.261 1
1 168 . 10 1 1 A 22 22 ASP C C 22 175.838 175.938 -0.100 1
1 169 . 10 1 1 A 22 22 ASP CA C 22 51.037 54.796 -3.759 1
1 170 . 10 1 1 A 22 22 ASP CB C 22 42.177 43.090 -0.913 1
1 171 . 10 1 1 A 22 22 ASP N N 22 107.201 117.715 -10.514 1
1 172 . 10 1 1 A 23 23 SER H H 23 7.729 7.728 0.001 1
1 173 . 10 1 1 A 23 23 SER HA H 23 5.474 5.286 0.188 1
1 176 . 10 1 1 A 23 23 SER C C 23 171.887 172.331 -0.444 1
1 177 . 10 1 1 A 23 23 SER CA C 23 57.481 57.085 0.396 1
1 178 . 10 1 1 A 23 23 SER CB C 23 68.168 65.859 2.309 1
1 179 . 10 1 1 A 23 23 SER N N 23 112.046 110.945 1.101 1
1 180 . 10 1 1 A 24 24 LEU H H 24 7.884 8.467 -0.583 1
1 181 . 10 1 1 A 24 24 LEU HA H 24 4.769 4.814 -0.045 1
1 191 . 10 1 1 A 24 24 LEU C C 24 174.542 174.861 -0.319 1
1 192 . 10 1 1 A 24 24 LEU CA C 24 53.576 53.767 -0.191 1
1 193 . 10 1 1 A 24 24 LEU CB C 24 47.616 45.446 2.170 1
1 197 . 10 1 1 A 24 24 LEU N N 24 119.324 123.713 -4.389 1
1 198 . 10 1 1 A 25 25 GLN H H 25 9.356 9.008 0.348 1
1 199 . 10 1 1 A 25 25 GLN HA H 25 4.747 4.602 0.145 1
1 206 . 10 1 1 A 25 25 GLN C C 25 174.824 174.999 -0.175 1
1 207 . 10 1 1 A 25 25 GLN CA C 25 55.533 55.803 -0.270 1
1 208 . 10 1 1 A 25 25 GLN CB C 25 29.759 29.966 -0.207 1
1 210 . 10 1 1 A 25 25 GLN N N 25 124.019 127.794 -3.775 1
1 212 . 10 1 1 A 26 26 VAL H H 26 9.020 8.534 0.486 1
1 213 . 10 1 1 A 26 26 VAL HA H 26 4.824 4.954 -0.130 1
1 221 . 10 1 1 A 26 26 VAL C C 26 174.556 173.657 0.899 1
1 222 . 10 1 1 A 26 26 VAL CA C 26 60.629 60.129 0.500 1
1 223 . 10 1 1 A 26 26 VAL CB C 26 33.355 35.272 -1.917 1
1 226 . 10 1 1 A 26 26 VAL N N 26 127.649 123.840 3.809 1
1 227 . 10 1 1 A 27 27 SER H H 27 9.056 8.818 0.238 1
1 228 . 10 1 1 A 27 27 SER HA H 27 4.857 4.789 0.068 1
1 231 . 10 1 1 A 27 27 SER C C 27 172.328 172.403 -0.075 1
1 232 . 10 1 1 A 27 27 SER CA C 27 57.138 55.634 1.504 1
1 233 . 10 1 1 A 27 27 SER CB C 27 66.864 65.543 1.321 1
1 234 . 10 1 1 A 27 27 SER N N 27 119.826 122.565 -2.739 1
1 235 . 10 1 1 A 28 28 TRP H H 28 7.584 7.947 -0.363 1
1 236 . 10 1 1 A 28 28 TRP HA H 28 5.022 5.246 -0.224 1
1 245 . 10 1 1 A 28 28 TRP C C 28 174.055 172.758 1.297 1
1 246 . 10 1 1 A 28 28 TRP CA C 28 56.609 55.771 0.838 1
1 247 . 10 1 1 A 28 28 TRP CB C 28 29.814 30.925 -1.111 1
1 253 . 10 1 1 A 28 28 TRP N N 28 115.280 119.853 -4.573 1
1 255 . 10 1 1 A 29 29 THR H H 29 9.293 8.811 0.482 1
1 256 . 10 1 1 A 29 29 THR HA H 29 4.865 4.815 0.050 1
1 261 . 10 1 1 A 29 29 THR C C 29 173.203 173.565 -0.362 1
1 262 . 10 1 1 A 29 29 THR CA C 29 59.889 59.368 0.521 1
1 263 . 10 1 1 A 29 29 THR CB C 29 69.774 69.854 -0.080 1
1 265 . 10 1 1 A 29 29 THR N N 29 117.164 115.207 1.957 1
1 266 . 10 1 1 A 30 30 PRO HA H 30 4.809 4.851 -0.042 1
1 273 . 10 1 1 A 30 30 PRO CA C 30 61.701 61.902 -0.201 1
1 274 . 10 1 1 A 30 30 PRO CB C 30 32.114 32.315 -0.201 1
1 277 . 10 1 1 A 31 31 PRO HA H 31 4.703 4.736 -0.033 1
1 284 . 10 1 1 A 31 31 PRO C C 31 175.384 176.679 -1.295 1
1 285 . 10 1 1 A 31 31 PRO CA C 31 61.793 62.313 -0.520 1
1 286 . 10 1 1 A 31 31 PRO CB C 31 32.822 33.437 -0.615 1
1 289 . 10 1 1 A 32 32 LEU H H 32 8.312 8.771 -0.459 1
1 290 . 10 1 1 A 32 32 LEU HA H 32 4.333 4.430 -0.097 1
1 300 . 10 1 1 A 32 32 LEU C C 32 177.793 177.979 -0.186 1
1 301 . 10 1 1 A 32 32 LEU CA C 32 55.851 57.161 -1.310 1
1 302 . 10 1 1 A 32 32 LEU CB C 32 41.968 42.867 -0.899 1
1 306 . 10 1 1 A 32 32 LEU N N 32 119.044 120.395 -1.351 1
1 307 . 10 1 1 A 33 33 GLY H H 33 8.147 7.848 0.299 1
1 308 . 10 1 1 A 33 33 GLY HA2 H 33 4.210 4.113 0.097 1
1 309 . 10 1 1 A 33 33 GLY HA3 H 33 4.051 4.129 -0.078 1
1 310 . 10 1 1 A 33 33 GLY C C 33 172.971 172.968 0.003 1
1 311 . 10 1 1 A 33 33 GLY CA C 33 44.216 45.403 -1.187 1
1 312 . 10 1 1 A 33 33 GLY N N 33 107.917 107.340 0.577 1
1 313 . 10 1 1 A 34 34 ARG H H 34 8.671 8.569 0.102 1
1 314 . 10 1 1 A 34 34 ARG HA H 34 4.405 4.514 -0.109 1
1 321 . 10 1 1 A 34 34 ARG C C 34 174.517 175.304 -0.787 1
1 322 . 10 1 1 A 34 34 ARG CA C 34 55.339 56.807 -1.468 1
1 323 . 10 1 1 A 34 34 ARG CB C 34 29.137 30.413 -1.276 1
1 326 . 10 1 1 A 34 34 ARG N N 34 121.152 122.820 -1.668 1
1 327 . 10 1 1 A 35 35 VAL H H 35 7.825 8.693 -0.868 1
1 328 . 10 1 1 A 35 35 VAL HA H 35 3.060 4.261 -1.201 1
1 336 . 10 1 1 A 35 35 VAL C C 35 176.613 175.477 1.136 1
1 337 . 10 1 1 A 35 35 VAL CA C 35 62.505 61.594 0.911 1
1 338 . 10 1 1 A 35 35 VAL CB C 35 32.534 31.540 0.994 1
1 341 . 10 1 1 A 35 35 VAL N N 35 126.379 127.505 -1.126 1
1 342 . 10 1 1 A 36 36 LEU H H 36 8.874 8.540 0.334 1
1 343 . 10 1 1 A 36 36 LEU HA H 36 4.176 3.860 0.316 1
1 353 . 10 1 1 A 36 36 LEU C C 36 177.540 176.813 0.727 1
1 354 . 10 1 1 A 36 36 LEU CA C 36 57.050 57.999 -0.949 1
1 355 . 10 1 1 A 36 36 LEU CB C 36 41.723 41.897 -0.174 1
1 359 . 10 1 1 A 36 36 LEU N N 36 127.956 129.502 -1.546 1
1 360 . 10 1 1 A 37 37 HIS H H 37 7.231 7.277 -0.046 1
1 361 . 10 1 1 A 37 37 HIS HA H 37 4.615 4.876 -0.261 1
1 366 . 10 1 1 A 37 37 HIS C C 37 171.558 171.747 -0.189 1
1 367 . 10 1 1 A 37 37 HIS CA C 37 55.005 54.629 0.376 1
1 368 . 10 1 1 A 37 37 HIS CB C 37 32.039 31.939 0.100 1
1 371 . 10 1 1 A 37 37 HIS N N 37 112.948 111.771 1.177 1
1 372 . 10 1 1 A 38 38 TYR H H 38 9.836 9.143 0.693 1
1 373 . 10 1 1 A 38 38 TYR HA H 38 5.165 4.903 0.262 1
1 378 . 10 1 1 A 38 38 TYR C C 38 174.934 174.949 -0.015 1
1 379 . 10 1 1 A 38 38 TYR CA C 38 56.698 56.761 -0.063 1
1 380 . 10 1 1 A 38 38 TYR CB C 38 40.251 38.670 1.581 1
1 385 . 10 1 1 A 38 38 TYR N N 38 116.581 118.532 -1.951 1
1 386 . 10 1 1 A 39 39 TRP H H 39 8.984 8.615 0.369 1
1 387 . 10 1 1 A 39 39 TRP HA H 39 5.307 4.996 0.311 1
1 396 . 10 1 1 A 39 39 TRP C C 39 173.996 175.130 -1.134 1
1 397 . 10 1 1 A 39 39 TRP CA C 39 55.798 56.848 -1.050 1
1 398 . 10 1 1 A 39 39 TRP CB C 39 31.998 29.353 2.645 1
1 404 . 10 1 1 A 39 39 TRP N N 39 124.201 128.418 -4.217 1
1 406 . 10 1 1 A 40 40 LEU H H 40 8.695 8.383 0.312 1
1 407 . 10 1 1 A 40 40 LEU HA H 40 5.636 4.820 0.816 1
1 417 . 10 1 1 A 40 40 LEU C C 40 175.416 175.066 0.350 1
1 418 . 10 1 1 A 40 40 LEU CA C 40 54.030 53.622 0.408 1
1 419 . 10 1 1 A 40 40 LEU CB C 40 44.846 44.336 0.510 1
1 423 . 10 1 1 A 40 40 LEU N N 40 132.690 129.741 2.949 1
1 424 . 10 1 1 A 41 41 THR H H 41 9.103 8.583 0.520 1
1 425 . 10 1 1 A 41 41 THR HA H 41 5.341 4.979 0.362 1
1 430 . 10 1 1 A 41 41 THR C C 41 173.042 172.864 0.178 1
1 431 . 10 1 1 A 41 41 THR CA C 41 60.118 60.313 -0.195 1
1 432 . 10 1 1 A 41 41 THR CB C 41 71.493 70.767 0.726 1
1 434 . 10 1 1 A 41 41 THR N N 41 117.923 115.113 2.810 1
1 435 . 10 1 1 A 42 42 TYR H H 42 9.073 8.769 0.304 1
1 436 . 10 1 1 A 42 42 TYR HA H 42 5.915 5.942 -0.027 1
1 443 . 10 1 1 A 42 42 TYR C C 42 173.637 173.900 -0.263 1
1 444 . 10 1 1 A 42 42 TYR CA C 42 55.146 55.147 -0.001 1
1 445 . 10 1 1 A 42 42 TYR CB C 42 42.124 42.325 -0.201 1
1 450 . 10 1 1 A 42 42 TYR N N 42 118.958 120.299 -1.341 1
1 451 . 10 1 1 A 43 43 ALA H H 43 8.508 8.887 -0.379 1
1 452 . 10 1 1 A 43 43 ALA HA H 43 5.099 4.798 0.301 1
1 456 . 10 1 1 A 43 43 ALA C C 43 173.859 174.238 -0.379 1
1 457 . 10 1 1 A 43 43 ALA CA C 43 50.156 50.525 -0.369 1
1 458 . 10 1 1 A 43 43 ALA CB C 43 21.455 22.205 -0.750 1
1 459 . 10 1 1 A 43 43 ALA N N 43 122.386 121.492 0.894 1
1 460 . 10 1 1 A 44 44 PRO HA H 44 4.079 4.501 -0.422 1
1 467 . 10 1 1 A 44 44 PRO C C 44 178.191 177.618 0.573 1
1 468 . 10 1 1 A 44 44 PRO CA C 44 63.194 62.686 0.508 1
1 469 . 10 1 1 A 44 44 PRO CB C 44 31.525 31.469 0.056 1
1 472 . 10 1 1 A 45 45 ALA H H 45 8.934 8.540 0.394 1
1 473 . 10 1 1 A 45 45 ALA HA H 45 3.965 4.012 -0.047 1
1 477 . 10 1 1 A 45 45 ALA C C 45 177.272 179.584 -2.312 1
1 478 . 10 1 1 A 45 45 ALA CA C 45 53.911 55.222 -1.311 1
1 479 . 10 1 1 A 45 45 ALA CB C 45 18.221 18.129 0.092 1
1 480 . 10 1 1 A 45 45 ALA N N 45 129.632 128.868 0.764 1
1 481 . 10 1 1 A 46 46 SER H H 46 8.311 7.843 0.468 1
1 482 . 10 1 1 A 46 46 SER HA H 46 4.193 4.255 -0.062 1
1 485 . 10 1 1 A 46 46 SER C C 46 175.546 175.322 0.224 1
1 486 . 10 1 1 A 46 46 SER CA C 46 58.584 59.899 -1.315 1
1 487 . 10 1 1 A 46 46 SER CB C 46 63.543 64.374 -0.831 1
1 488 . 10 1 1 A 46 46 SER N N 46 111.878 109.796 2.082 1
1 489 . 10 1 1 A 47 47 GLY H H 47 7.743 8.052 -0.309 1
1 490 . 10 1 1 A 47 47 GLY HA2 H 47 4.203 3.941 0.262 1
1 491 . 10 1 1 A 47 47 GLY HA3 H 47 3.840 3.946 -0.106 1
1 492 . 10 1 1 A 47 47 GLY C C 47 174.463 175.069 -0.606 1
1 493 . 10 1 1 A 47 47 GLY CA C 47 45.501 46.580 -1.079 1
1 494 . 10 1 1 A 47 47 GLY N N 47 108.526 109.718 -1.192 1
1 495 . 10 1 1 A 48 48 LEU H H 48 7.794 7.831 -0.037 1
1 496 . 10 1 1 A 48 48 LEU HA H 48 4.448 4.719 -0.271 1
1 506 . 10 1 1 A 48 48 LEU C C 48 176.668 175.961 0.707 1
1 507 . 10 1 1 A 48 48 LEU CA C 48 54.470 53.973 0.497 1
1 508 . 10 1 1 A 48 48 LEU CB C 48 41.445 43.185 -1.740 1
1 512 . 10 1 1 A 48 48 LEU N N 48 120.348 117.259 3.089 1
1 513 . 10 1 1 A 49 49 GLY H H 49 7.889 7.743 0.146 1
1 514 . 10 1 1 A 49 49 GLY HA2 H 49 4.266 4.062 0.204 1
1 515 . 10 1 1 A 49 49 GLY HA3 H 49 3.965 4.066 -0.101 1
1 516 . 10 1 1 A 49 49 GLY C C 49 170.653 171.402 -0.749 1
1 517 . 10 1 1 A 49 49 GLY CA C 49 44.151 45.020 -0.869 1
1 518 . 10 1 1 A 49 49 GLY N N 49 108.892 108.612 0.280 1
1 519 . 10 1 1 A 50 50 PRO HA H 50 4.483 4.533 -0.050 1
1 526 . 10 1 1 A 50 50 PRO C C 50 176.143 175.421 0.722 1
1 527 . 10 1 1 A 50 50 PRO CA C 50 62.639 62.556 0.083 1
1 528 . 10 1 1 A 50 50 PRO CB C 50 32.575 33.042 -0.467 1
1 531 . 10 1 1 A 51 51 GLU H H 51 8.463 8.594 -0.131 1
1 532 . 10 1 1 A 51 51 GLU HA H 51 4.560 4.626 -0.066 1
1 537 . 10 1 1 A 51 51 GLU C C 51 175.792 175.582 0.210 1
1 538 . 10 1 1 A 51 51 GLU CA C 51 55.516 55.386 0.130 1
1 539 . 10 1 1 A 51 51 GLU CB C 51 31.305 32.806 -1.501 1
1 541 . 10 1 1 A 51 51 GLU N N 51 121.175 121.067 0.108 1
1 542 . 10 1 1 A 52 52 LYS H H 52 8.180 8.181 -0.001 1
1 543 . 10 1 1 A 52 52 LYS HA H 52 4.511 4.603 -0.092 1
1 552 . 10 1 1 A 52 52 LYS C C 52 174.000 175.279 -1.279 1
1 553 . 10 1 1 A 52 52 LYS CA C 52 54.952 54.959 -0.007 1
1 554 . 10 1 1 A 52 52 LYS CB C 52 36.101 33.788 2.313 1
1 558 . 10 1 1 A 52 52 LYS N N 52 125.598 127.554 -1.956 1
1 559 . 10 1 1 A 53 53 SER H H 53 8.087 8.502 -0.415 1
1 560 . 10 1 1 A 53 53 SER HA H 53 5.637 5.111 0.526 1
1 563 . 10 1 1 A 53 53 SER C C 53 173.704 172.838 0.866 1
1 564 . 10 1 1 A 53 53 SER CA C 53 56.662 57.467 -0.805 1
1 565 . 10 1 1 A 53 53 SER CB C 53 67.219 65.545 1.674 1
1 566 . 10 1 1 A 53 53 SER N N 53 112.778 113.443 -0.665 1
1 567 . 10 1 1 A 54 54 VAL H H 54 8.940 8.588 0.352 1
1 568 . 10 1 1 A 54 54 VAL HA H 54 4.314 4.841 -0.527 1
1 576 . 10 1 1 A 54 54 VAL C C 54 172.304 174.332 -2.028 1
1 577 . 10 1 1 A 54 54 VAL CA C 54 60.506 59.596 0.910 1
1 578 . 10 1 1 A 54 54 VAL CB C 54 36.121 34.854 1.267 1
1 581 . 10 1 1 A 54 54 VAL N N 54 119.961 120.144 -0.183 1
1 582 . 10 1 1 A 55 55 SER H H 55 8.180 8.852 -0.672 1
1 583 . 10 1 1 A 55 55 SER HA H 55 5.461 4.821 0.640 1
1 586 . 10 1 1 A 55 55 SER C C 55 174.870 174.156 0.714 1
1 587 . 10 1 1 A 55 55 SER CA C 55 56.065 58.668 -2.603 1
1 588 . 10 1 1 A 55 55 SER CB C 55 64.094 64.003 0.091 1
1 589 . 10 1 1 A 55 55 SER N N 55 117.963 121.019 -3.056 1
1 590 . 10 1 1 A 56 56 VAL H H 56 9.201 8.614 0.587 1
1 591 . 10 1 1 A 56 56 VAL HA H 56 4.780 4.663 0.117 1
1 599 . 10 1 1 A 56 56 VAL C C 56 173.446 174.006 -0.560 1
1 600 . 10 1 1 A 56 56 VAL CA C 56 58.760 59.054 -0.294 1
1 601 . 10 1 1 A 56 56 VAL CB C 56 35.954 35.875 0.079 1
1 604 . 10 1 1 A 56 56 VAL N N 56 127.863 125.879 1.984 1
1 605 . 10 1 1 A 57 57 PRO HA H 57 4.582 4.714 -0.132 1
1 612 . 10 1 1 A 57 57 PRO C C 57 176.776 178.629 -1.853 1
1 613 . 10 1 1 A 57 57 PRO CA C 57 64.226 63.383 0.843 1
1 614 . 10 1 1 A 57 57 PRO CB C 57 33.063 31.821 1.242 1
1 617 . 10 1 1 A 58 58 GLY H H 58 7.663 8.838 -1.175 1
1 618 . 10 1 1 A 58 58 GLY HA2 H 58 3.684 3.711 -0.027 1
1 619 . 10 1 1 A 58 58 GLY HA3 H 58 3.620 3.753 -0.133 1
1 620 . 10 1 1 A 58 58 GLY C C 58 173.755 175.608 -1.853 1
1 621 . 10 1 1 A 58 58 GLY CA C 58 46.877 47.409 -0.532 1
1 622 . 10 1 1 A 58 58 GLY N N 58 106.964 113.553 -6.589 1
1 623 . 10 1 1 A 59 59 ALA H H 59 7.900 8.143 -0.243 1
1 624 . 10 1 1 A 59 59 ALA HA H 59 4.516 4.080 0.436 1
1 628 . 10 1 1 A 59 59 ALA C C 59 178.104 177.647 0.457 1
1 629 . 10 1 1 A 59 59 ALA CA C 59 52.713 54.910 -2.197 1
1 630 . 10 1 1 A 59 59 ALA CB C 59 19.380 18.985 0.395 1
1 631 . 10 1 1 A 59 59 ALA N N 59 119.932 124.160 -4.228 1
1 632 . 10 1 1 A 60 60 ARG H H 60 8.306 8.211 0.095 1
1 633 . 10 1 1 A 60 60 ARG HA H 60 4.559 4.943 -0.384 1
1 640 . 10 1 1 A 60 60 ARG C C 60 174.842 175.724 -0.882 1
1 641 . 10 1 1 A 60 60 ARG CA C 60 55.357 55.145 0.212 1
1 642 . 10 1 1 A 60 60 ARG CB C 60 32.823 32.644 0.179 1
1 645 . 10 1 1 A 60 60 ARG N N 60 118.739 115.831 2.908 1
1 646 . 10 1 1 A 61 61 SER H H 61 8.229 8.764 -0.535 1
1 647 . 10 1 1 A 61 61 SER HA H 61 3.709 4.465 -0.756 1
1 650 . 10 1 1 A 61 61 SER C C 61 170.973 172.569 -1.596 1
1 651 . 10 1 1 A 61 61 SER CA C 61 56.045 57.066 -1.021 1
1 652 . 10 1 1 A 61 61 SER CB C 61 63.329 63.437 -0.108 1
1 653 . 10 1 1 A 61 61 SER N N 61 110.956 112.312 -1.356 1
1 654 . 10 1 1 A 62 62 HIS H H 62 6.458 7.360 -0.902 1
1 655 . 10 1 1 A 62 62 HIS HA H 62 4.626 4.550 0.076 1
1 660 . 10 1 1 A 62 62 HIS C C 62 173.581 173.123 0.458 1
1 661 . 10 1 1 A 62 62 HIS CA C 62 54.494 53.764 0.730 1
1 662 . 10 1 1 A 62 62 HIS CB C 62 32.485 32.416 0.069 1
1 665 . 10 1 1 A 62 62 HIS N N 62 113.571 115.995 -2.424 1
1 666 . 10 1 1 A 63 63 VAL H H 63 8.794 8.545 0.249 1
1 667 . 10 1 1 A 63 63 VAL HA H 63 4.325 4.279 0.046 1
1 675 . 10 1 1 A 63 63 VAL C C 63 171.906 173.541 -1.635 1
1 676 . 10 1 1 A 63 63 VAL CA C 63 61.052 60.088 0.964 1
1 677 . 10 1 1 A 63 63 VAL CB C 63 34.800 34.827 -0.027 1
1 680 . 10 1 1 A 63 63 VAL N N 63 118.122 119.115 -0.993 1
1 681 . 10 1 1 A 64 64 THR H H 64 8.316 8.602 -0.286 1
1 682 . 10 1 1 A 64 64 THR HA H 64 4.970 5.038 -0.068 1
1 687 . 10 1 1 A 64 64 THR C C 64 173.412 173.098 0.314 1
1 688 . 10 1 1 A 64 64 THR CA C 64 61.775 61.404 0.371 1
1 689 . 10 1 1 A 64 64 THR CB C 64 69.851 70.810 -0.959 1
1 691 . 10 1 1 A 64 64 THR N N 64 122.871 120.829 2.042 1
1 692 . 10 1 1 A 65 65 LEU H H 65 9.348 8.629 0.719 1
1 693 . 10 1 1 A 65 65 LEU HA H 65 4.584 4.691 -0.107 1
1 703 . 10 1 1 A 65 65 LEU C C 65 173.397 174.923 -1.526 1
1 704 . 10 1 1 A 65 65 LEU CA C 65 50.297 51.093 -0.796 1
1 705 . 10 1 1 A 65 65 LEU CB C 65 41.547 41.981 -0.434 1
1 709 . 10 1 1 A 65 65 LEU N N 65 129.778 127.691 2.087 1
1 710 . 10 1 1 A 66 66 PRO HA H 66 4.868 4.393 0.475 1
1 717 . 10 1 1 A 66 66 PRO C C 66 175.188 176.795 -1.607 1
1 718 . 10 1 1 A 66 66 PRO CA C 66 61.370 62.625 -1.255 1
1 719 . 10 1 1 A 66 66 PRO CB C 66 33.700 32.623 1.077 1
1 722 . 10 1 1 A 67 67 ASP H H 67 8.729 8.967 -0.238 1
1 723 . 10 1 1 A 67 67 ASP HA H 67 4.333 4.230 0.103 1
1 726 . 10 1 1 A 67 67 ASP C C 67 175.824 174.809 1.015 1
1 727 . 10 1 1 A 67 67 ASP CA C 67 55.181 55.020 0.161 1
1 728 . 10 1 1 A 67 67 ASP CB C 67 39.225 39.549 -0.324 1
1 729 . 10 1 1 A 67 67 ASP N N 67 113.984 121.633 -7.649 1
1 730 . 10 1 1 A 68 68 LEU H H 68 8.599 7.895 0.704 1
1 731 . 10 1 1 A 68 68 LEU HA H 68 4.414 4.835 -0.421 1
1 741 . 10 1 1 A 68 68 LEU C C 68 176.487 176.274 0.213 1
1 742 . 10 1 1 A 68 68 LEU CA C 68 53.259 53.251 0.008 1
1 743 . 10 1 1 A 68 68 LEU CB C 68 41.630 44.544 -2.914 1
1 747 . 10 1 1 A 68 68 LEU N N 68 118.102 118.762 -0.660 1
1 748 . 10 1 1 A 69 69 GLN H H 69 8.114 8.565 -0.451 1
1 749 . 10 1 1 A 69 69 GLN HA H 69 4.349 4.787 -0.438 1
1 756 . 10 1 1 A 69 69 GLN C C 69 175.669 174.703 0.966 1
1 757 . 10 1 1 A 69 69 GLN CA C 69 54.722 54.531 0.191 1
1 758 . 10 1 1 A 69 69 GLN CB C 69 30.803 31.229 -0.426 1
1 760 . 10 1 1 A 69 69 GLN N N 69 118.191 119.798 -1.607 1
1 762 . 10 1 1 A 70 70 ALA H H 70 8.240 8.726 -0.486 1
1 763 . 10 1 1 A 70 70 ALA HA H 70 4.835 4.913 -0.078 1
1 767 . 10 1 1 A 70 70 ALA C C 70 178.720 176.986 1.734 1
1 768 . 10 1 1 A 70 70 ALA CA C 70 52.501 50.377 2.124 1
1 769 . 10 1 1 A 70 70 ALA CB C 70 20.257 21.992 -1.735 1
1 770 . 10 1 1 A 70 70 ALA N N 70 124.989 121.328 3.661 1
1 771 . 10 1 1 A 71 71 ALA H H 71 8.003 8.478 -0.475 1
1 772 . 10 1 1 A 71 71 ALA HA H 71 3.974 3.863 0.111 1
1 776 . 10 1 1 A 71 71 ALA C C 71 176.118 176.012 0.106 1
1 777 . 10 1 1 A 71 71 ALA CA C 71 52.491 53.023 -0.532 1
1 778 . 10 1 1 A 71 71 ALA CB C 71 18.439 17.665 0.774 1
1 779 . 10 1 1 A 71 71 ALA N N 71 128.133 120.477 7.656 1
1 780 . 10 1 1 A 72 72 THR H H 72 8.391 7.708 0.683 1
1 781 . 10 1 1 A 72 72 THR HA H 72 4.563 4.898 -0.335 1
1 786 . 10 1 1 A 72 72 THR C C 72 172.643 173.720 -1.077 1
1 787 . 10 1 1 A 72 72 THR CA C 72 62.856 60.733 2.123 1
1 788 . 10 1 1 A 72 72 THR CB C 72 71.924 72.685 -0.761 1
1 790 . 10 1 1 A 72 72 THR N N 72 114.280 110.606 3.674 1
1 791 . 10 1 1 A 73 73 LYS H H 73 8.691 8.318 0.373 1
1 792 . 10 1 1 A 73 73 LYS HA H 73 4.846 4.908 -0.062 1
1 801 . 10 1 1 A 73 73 LYS C C 73 176.405 175.403 1.002 1
1 802 . 10 1 1 A 73 73 LYS CA C 73 55.992 55.928 0.064 1
1 803 . 10 1 1 A 73 73 LYS CB C 73 33.535 34.516 -0.981 1
1 807 . 10 1 1 A 73 73 LYS N N 73 125.989 124.305 1.684 1
1 808 . 10 1 1 A 74 74 TYR H H 74 9.569 8.770 0.799 1
1 809 . 10 1 1 A 74 74 TYR HA H 74 4.758 5.103 -0.345 1
1 816 . 10 1 1 A 74 74 TYR C C 74 173.567 174.881 -1.314 1
1 817 . 10 1 1 A 74 74 TYR CA C 74 58.778 56.715 2.063 1
1 818 . 10 1 1 A 74 74 TYR CB C 74 42.667 41.528 1.139 1
1 823 . 10 1 1 A 74 74 TYR N N 74 126.436 117.582 8.854 1
1 824 . 10 1 1 A 75 75 ARG H H 75 9.005 8.825 0.180 1
1 825 . 10 1 1 A 75 75 ARG HA H 75 5.053 4.471 0.582 1
1 832 . 10 1 1 A 75 75 ARG C C 75 175.042 174.856 0.186 1
1 833 . 10 1 1 A 75 75 ARG CA C 75 55.027 56.212 -1.185 1
1 834 . 10 1 1 A 75 75 ARG CB C 75 32.284 30.253 2.031 1
1 837 . 10 1 1 A 75 75 ARG N N 75 121.560 125.917 -4.357 1
1 838 . 10 1 1 A 76 76 VAL H H 76 9.127 8.848 0.279 1
1 839 . 10 1 1 A 76 76 VAL HA H 76 4.977 4.440 0.537 1
1 847 . 10 1 1 A 76 76 VAL C C 76 173.144 175.401 -2.257 1
1 848 . 10 1 1 A 76 76 VAL CA C 76 60.876 62.921 -2.045 1
1 849 . 10 1 1 A 76 76 VAL CB C 76 34.922 31.097 3.825 1
1 852 . 10 1 1 A 76 76 VAL N N 76 127.571 126.787 0.784 1
1 853 . 10 1 1 A 77 77 LEU H H 77 9.083 9.512 -0.429 1
1 854 . 10 1 1 A 77 77 LEU HA H 77 5.350 5.466 -0.116 1
1 864 . 10 1 1 A 77 77 LEU C C 77 176.622 175.601 1.021 1
1 865 . 10 1 1 A 77 77 LEU CA C 77 53.911 53.758 0.153 1
1 866 . 10 1 1 A 77 77 LEU CB C 77 44.959 41.956 3.003 1
1 870 . 10 1 1 A 77 77 LEU N N 77 127.310 129.489 -2.179 1
1 871 . 10 1 1 A 78 78 VAL H H 78 8.918 8.666 0.252 1
1 872 . 10 1 1 A 78 78 VAL HA H 78 4.890 4.533 0.357 1
1 880 . 10 1 1 A 78 78 VAL C C 78 174.235 175.024 -0.789 1
1 881 . 10 1 1 A 78 78 VAL CA C 78 61.193 61.097 0.096 1
1 882 . 10 1 1 A 78 78 VAL CB C 78 34.718 33.452 1.266 1
1 885 . 10 1 1 A 78 78 VAL N N 78 119.228 126.506 -7.278 1
1 886 . 10 1 1 A 79 79 SER H H 79 8.598 8.584 0.014 1
1 887 . 10 1 1 A 79 79 SER HA H 79 4.725 5.177 -0.452 1
1 890 . 10 1 1 A 79 79 SER C C 79 172.877 172.662 0.215 1
1 891 . 10 1 1 A 79 79 SER CA C 79 56.680 57.291 -0.611 1
1 892 . 10 1 1 A 79 79 SER CB C 79 65.806 66.452 -0.646 1
1 893 . 10 1 1 A 79 79 SER N N 79 119.664 123.492 -3.828 1
1 894 . 10 1 1 A 80 80 ALA H H 80 8.939 8.199 0.740 1
1 895 . 10 1 1 A 80 80 ALA HA H 80 4.325 4.836 -0.511 1
1 899 . 10 1 1 A 80 80 ALA C C 80 174.050 176.559 -2.509 1
1 900 . 10 1 1 A 80 80 ALA CA C 80 51.126 50.892 0.234 1
1 901 . 10 1 1 A 80 80 ALA CB C 80 21.990 20.237 1.753 1
1 902 . 10 1 1 A 80 80 ALA N N 80 126.283 126.555 -0.272 1
1 903 . 10 1 1 A 81 81 ILE H H 81 8.424 8.185 0.239 1
1 904 . 10 1 1 A 81 81 ILE HA H 81 4.116 4.621 -0.505 1
1 914 . 10 1 1 A 81 81 ILE C C 81 173.862 174.425 -0.563 1
1 915 . 10 1 1 A 81 81 ILE CA C 81 61.175 60.298 0.877 1
1 916 . 10 1 1 A 81 81 ILE CB C 81 36.015 38.609 -2.594 1
1 920 . 10 1 1 A 81 81 ILE N N 81 123.033 122.667 0.366 1
1 921 . 10 1 1 A 82 82 TYR H H 82 8.377 8.940 -0.563 1
1 922 . 10 1 1 A 82 82 TYR HA H 82 4.681 4.900 -0.219 1
1 929 . 10 1 1 A 82 82 TYR C C 82 176.146 176.274 -0.128 1
1 930 . 10 1 1 A 82 82 TYR CA C 82 56.309 56.570 -0.261 1
1 931 . 10 1 1 A 82 82 TYR CB C 82 40.734 42.810 -2.076 1
1 936 . 10 1 1 A 82 82 TYR N N 82 125.168 125.204 -0.036 1
1 937 . 10 1 1 A 83 83 ALA H H 83 9.437 9.093 0.344 1
1 938 . 10 1 1 A 83 83 ALA HA H 83 4.059 4.083 -0.024 1
1 942 . 10 1 1 A 83 83 ALA C C 83 179.312 180.069 -0.757 1
1 943 . 10 1 1 A 83 83 ALA CA C 83 55.729 55.647 0.082 1
1 944 . 10 1 1 A 83 83 ALA CB C 83 17.613 18.366 -0.753 1
1 945 . 10 1 1 A 83 83 ALA N N 83 125.234 125.452 -0.218 1
1 946 . 10 1 1 A 84 84 ALA H H 84 7.823 7.908 -0.085 1
1 947 . 10 1 1 A 84 84 ALA HA H 84 4.434 4.136 0.298 1
1 951 . 10 1 1 A 84 84 ALA C C 84 176.808 177.594 -0.786 1
1 952 . 10 1 1 A 84 84 ALA CA C 84 51.936 54.760 -2.824 1
1 953 . 10 1 1 A 84 84 ALA CB C 84 19.514 19.726 -0.212 1
1 954 . 10 1 1 A 84 84 ALA N N 84 114.587 120.630 -6.043 1
1 955 . 10 1 1 A 85 85 GLY H H 85 7.366 7.489 -0.123 1
1 956 . 10 1 1 A 85 85 GLY HA2 H 85 4.362 4.018 0.344 1
1 957 . 10 1 1 A 85 85 GLY HA3 H 85 3.835 4.033 -0.198 1
1 958 . 10 1 1 A 85 85 GLY C C 85 171.544 172.003 -0.459 1
1 959 . 10 1 1 A 85 85 GLY CA C 85 44.576 45.986 -1.410 1
1 960 . 10 1 1 A 85 85 GLY N N 85 105.342 102.200 3.142 1
1 961 . 10 1 1 A 86 86 ARG H H 86 8.626 8.569 0.057 1
1 962 . 10 1 1 A 86 86 ARG HA H 86 5.263 5.536 -0.273 1
1 969 . 10 1 1 A 86 86 ARG C C 86 176.925 175.797 1.128 1
1 970 . 10 1 1 A 86 86 ARG CA C 86 54.863 54.576 0.287 1
1 971 . 10 1 1 A 86 86 ARG CB C 86 33.491 33.221 0.270 1
1 974 . 10 1 1 A 86 86 ARG N N 86 118.147 117.681 0.466 1
1 975 . 10 1 1 A 87 87 SER H H 87 9.496 9.236 0.260 1
1 976 . 10 1 1 A 87 87 SER HA H 87 4.747 4.631 0.116 1
1 979 . 10 1 1 A 87 87 SER C C 87 174.538 174.459 0.079 1
1 980 . 10 1 1 A 87 87 SER CA C 87 58.284 58.174 0.110 1
1 981 . 10 1 1 A 87 87 SER CB C 87 67.271 65.538 1.733 1
1 982 . 10 1 1 A 87 87 SER N N 87 119.835 115.087 4.748 1
1 983 . 10 1 1 A 88 88 GLU H H 88 9.058 8.546 0.512 1
1 984 . 10 1 1 A 88 88 GLU HA H 88 4.342 4.221 0.121 1
1 989 . 10 1 1 A 88 88 GLU C C 88 176.157 175.752 0.405 1
1 990 . 10 1 1 A 88 88 GLU CA C 88 56.874 55.788 1.086 1
1 991 . 10 1 1 A 88 88 GLU CB C 88 30.350 30.200 0.150 1
1 993 . 10 1 1 A 88 88 GLU N N 88 119.700 120.091 -0.391 1
1 994 . 10 1 1 A 89 89 ALA H H 89 8.674 8.507 0.167 1
1 995 . 10 1 1 A 89 89 ALA HA H 89 4.918 5.276 -0.358 1
1 999 . 10 1 1 A 89 89 ALA C C 89 178.887 176.008 2.879 1
1 1000 . 10 1 1 A 89 89 ALA CA C 89 51.340 50.399 0.941 1
1 1001 . 10 1 1 A 89 89 ALA CB C 89 20.130 21.922 -1.792 1
1 1002 . 10 1 1 A 89 89 ALA N N 89 125.485 122.032 3.453 1
1 1003 . 10 1 1 A 90 90 VAL H H 90 8.621 8.606 0.015 1
1 1004 . 10 1 1 A 90 90 VAL HA H 90 4.562 4.848 -0.286 1
1 1012 . 10 1 1 A 90 90 VAL C C 90 174.251 175.414 -1.163 1
1 1013 . 10 1 1 A 90 90 VAL CA C 90 60.365 60.469 -0.104 1
1 1014 . 10 1 1 A 90 90 VAL CB C 90 33.770 33.645 0.125 1
1 1017 . 10 1 1 A 90 90 VAL N N 90 119.440 118.755 0.685 1
1 1018 . 10 1 1 A 91 91 SER H H 91 8.373 8.836 -0.463 1
1 1019 . 10 1 1 A 91 91 SER HA H 91 5.877 4.952 0.925 1
1 1022 . 10 1 1 A 91 91 SER C C 91 174.245 173.737 0.508 1
1 1023 . 10 1 1 A 91 91 SER CA C 91 56.109 57.106 -0.997 1
1 1024 . 10 1 1 A 91 91 SER CB C 91 67.620 64.910 2.710 1
1 1025 . 10 1 1 A 91 91 SER N N 91 116.084 120.635 -4.551 1
1 1026 . 10 1 1 A 92 92 ALA H H 92 8.900 8.805 0.095 1
1 1027 . 10 1 1 A 92 92 ALA HA H 92 4.681 4.943 -0.262 1
1 1031 . 10 1 1 A 92 92 ALA C C 92 175.187 176.107 -0.920 1
1 1032 . 10 1 1 A 92 92 ALA CA C 92 51.990 51.887 0.103 1
1 1033 . 10 1 1 A 92 92 ALA CB C 92 23.056 21.775 1.281 1
1 1034 . 10 1 1 A 92 92 ALA N N 92 123.885 122.095 1.790 1
1 1035 . 10 1 1 A 93 93 THR H H 93 8.466 8.737 -0.271 1
1 1036 . 10 1 1 A 93 93 THR HA H 93 5.623 5.174 0.449 1
1 1041 . 10 1 1 A 93 93 THR C C 93 174.366 173.972 0.394 1
1 1042 . 10 1 1 A 93 93 THR CA C 93 60.154 60.767 -0.613 1
1 1043 . 10 1 1 A 93 93 THR CB C 93 71.657 70.107 1.550 1
1 1045 . 10 1 1 A 93 93 THR N N 93 112.591 115.801 -3.210 1
1 1046 . 10 1 1 A 94 94 GLY H H 94 8.657 8.957 -0.300 1
1 1047 . 10 1 1 A 94 94 GLY HA2 H 94 4.483 4.230 0.253 1
1 1048 . 10 1 1 A 94 94 GLY HA3 H 94 3.625 4.239 -0.614 1
1 1049 . 10 1 1 A 94 94 GLY C C 94 170.518 173.635 -3.117 1
1 1050 . 10 1 1 A 94 94 GLY CA C 94 44.849 45.058 -0.209 1
1 1051 . 10 1 1 A 94 94 GLY N N 94 111.375 111.557 -0.182 1
1 1052 . 10 1 1 A 95 95 GLN H H 95 8.667 8.725 -0.058 1
1 1053 . 10 1 1 A 95 95 GLN HA H 95 5.491 4.389 1.102 1
1 1060 . 10 1 1 A 95 95 GLN C C 95 176.226 175.355 0.871 1
1 1061 . 10 1 1 A 95 95 GLN CA C 95 54.000 56.552 -2.552 1
1 1062 . 10 1 1 A 95 95 GLN CB C 95 32.822 29.140 3.682 1
1 1064 . 10 1 1 A 95 95 GLN N N 95 120.893 126.470 -5.577 1
1 1066 . 10 1 1 A 96 96 THR H H 96 8.609 8.960 -0.351 1
1 1067 . 10 1 1 A 96 96 THR HA H 96 4.384 4.512 -0.128 1
1 1072 . 10 1 1 A 96 96 THR C C 96 175.194 174.325 0.869 1
1 1073 . 10 1 1 A 96 96 THR CA C 96 60.783 61.540 -0.757 1
1 1074 . 10 1 1 A 96 96 THR CB C 96 70.198 71.305 -1.107 1
1 1076 . 10 1 1 A 96 96 THR N N 96 115.777 116.595 -0.818 1
1 1077 . 10 1 1 A 97 97 ALA H H 97 8.009 8.162 -0.153 1
1 1078 . 10 1 1 A 97 97 ALA HA H 97 4.186 4.509 -0.323 1
1 1082 . 10 1 1 A 97 97 ALA C C 97 176.174 176.811 -0.637 1
1 1083 . 10 1 1 A 97 97 ALA CA C 97 52.077 51.794 0.283 1
1 1084 . 10 1 1 A 97 97 ALA CB C 97 19.001 19.584 -0.583 1
1 1085 . 10 1 1 A 97 97 ALA N N 97 120.015 123.339 -3.324 1
1 1086 . 10 1 1 A 98 98 CYS H H 98 8.239 8.563 -0.324 1
1 1087 . 10 1 1 A 98 98 CYS HA H 98 4.705 4.636 0.069 1
1 1090 . 10 1 1 A 98 98 CYS C C 98 173.203 173.901 -0.698 1
1 1091 . 10 1 1 A 98 98 CYS CA C 98 56.644 57.228 -0.584 1
1 1092 . 10 1 1 A 98 98 CYS CB C 98 27.357 28.197 -0.840 1
1 1093 . 10 1 1 A 98 98 CYS N N 98 116.874 122.777 -5.903 1
1 1094 . 10 1 1 A 99 99 PRO HA H 99 4.421 4.576 -0.155 1
1 1101 . 10 1 1 A 99 99 PRO CA C 99 63.337 62.401 0.936 1
1 1102 . 10 1 1 A 99 99 PRO CB C 99 32.132 33.373 -1.241 1
1 1105 . 10 1 1 A 100 100 SER H H 100 8.463 8.671 -0.208 1
1 1106 . 10 1 1 A 100 100 SER HA H 100 4.470 4.521 -0.051 1
1 1109 . 10 1 1 A 100 100 SER CA C 100 58.453 58.847 -0.394 1
1 1110 . 10 1 1 A 100 100 SER CB C 100 64.023 64.375 -0.352 1
1 1111 . 10 1 1 A 100 100 SER N N 100 116.426 113.025 3.401 1
1 1112 . 10 1 1 A 101 101 GLY H H 101 8.237 7.873 0.364 1
1 1113 . 10 1 1 A 101 101 GLY HA2 H 101 4.165 4.033 0.132 1
1 1114 . 10 1 1 A 101 101 GLY HA3 H 101 4.100 4.033 0.067 1
1 1115 . 10 1 1 A 101 101 GLY CA C 101 44.647 44.194 0.453 1
1 1116 . 10 1 1 A 101 101 GLY N N 101 110.731 108.551 2.180 1
1 1117 . 10 1 1 A 102 102 PRO HA H 102 4.484 4.441 0.043 1
1 1123 . 10 1 1 A 102 102 PRO CA C 102 63.069 64.478 -1.409 1
1 1124 . 10 1 1 A 102 102 PRO CB C 102 32.189 32.069 0.120 1
1 1127 . 10 1 1 A 103 103 SER H H 103 8.540 7.830 0.710 1
1 1 . 11 1 1 A 5 5 SER N N 5 119.122 116.969 2.153 1
1 2 . 11 1 1 A 6 6 SER N N 6 123.945 119.060 4.885 1
1 3 . 11 1 1 A 7 7 GLY HA2 H 7 3.813 4.108 -0.295 1
1 4 . 11 1 1 A 7 7 GLY HA3 H 7 3.813 4.114 -0.301 1
1 5 . 11 1 1 A 7 7 GLY CA C 7 45.375 45.964 -0.589 1
1 6 . 11 1 1 A 8 8 ARG H H 8 7.999 8.017 -0.018 1
1 7 . 11 1 1 A 8 8 ARG HA H 8 3.712 3.631 0.081 1
1 14 . 11 1 1 A 8 8 ARG CA C 8 54.185 55.947 -1.762 1
1 15 . 11 1 1 A 8 8 ARG CB C 8 29.555 31.434 -1.879 1
1 18 . 11 1 1 A 8 8 ARG N N 8 121.209 124.548 -3.339 1
1 19 . 11 1 1 A 9 9 SER H H 9 7.810 8.246 -0.436 1
1 20 . 11 1 1 A 9 9 SER HA H 9 4.725 4.944 -0.219 1
1 23 . 11 1 1 A 9 9 SER CA C 9 58.455 54.800 3.655 1
1 24 . 11 1 1 A 9 9 SER CB C 9 62.966 65.442 -2.476 1
1 25 . 11 1 1 A 9 9 SER N N 9 118.072 117.799 0.273 1
1 26 . 11 1 1 A 10 10 PRO HA H 10 5.182 4.972 0.210 1
1 33 . 11 1 1 A 10 10 PRO CA C 10 61.759 61.326 0.433 1
1 34 . 11 1 1 A 10 10 PRO CB C 10 30.280 31.676 -1.396 1
1 37 . 11 1 1 A 11 11 PRO HA H 11 4.567 4.791 -0.224 1
1 44 . 11 1 1 A 11 11 PRO C C 11 173.556 176.195 -2.639 1
1 45 . 11 1 1 A 11 11 PRO CA C 11 62.674 62.874 -0.200 1
1 46 . 11 1 1 A 11 11 PRO CB C 11 33.026 31.794 1.232 1
1 49 . 11 1 1 A 12 12 SER H H 12 8.427 8.691 -0.264 1
1 50 . 11 1 1 A 12 12 SER HA H 12 4.890 4.995 -0.105 1
1 53 . 11 1 1 A 12 12 SER C C 12 173.115 173.856 -0.741 1
1 54 . 11 1 1 A 12 12 SER CA C 12 56.556 57.358 -0.802 1
1 55 . 11 1 1 A 12 12 SER CB C 12 66.882 65.725 1.157 1
1 56 . 11 1 1 A 12 12 SER N N 12 111.345 118.450 -7.105 1
1 57 . 11 1 1 A 13 13 ASN H H 13 8.973 8.829 0.144 1
1 58 . 11 1 1 A 13 13 ASN HA H 13 4.318 4.277 0.041 1
1 63 . 11 1 1 A 13 13 ASN C C 13 173.850 174.717 -0.867 1
1 64 . 11 1 1 A 13 13 ASN CA C 13 53.928 54.220 -0.292 1
1 65 . 11 1 1 A 13 13 ASN CB C 13 37.365 36.921 0.444 1
1 66 . 11 1 1 A 13 13 ASN N N 13 115.970 116.809 -0.839 1
1 68 . 11 1 1 A 14 14 LEU H H 14 8.223 8.157 0.066 1
1 69 . 11 1 1 A 14 14 LEU HA H 14 4.857 4.412 0.445 1
1 79 . 11 1 1 A 14 14 LEU C C 14 176.725 176.970 -0.245 1
1 80 . 11 1 1 A 14 14 LEU CA C 14 56.115 56.210 -0.095 1
1 81 . 11 1 1 A 14 14 LEU CB C 14 42.621 41.894 0.727 1
1 85 . 11 1 1 A 14 14 LEU N N 14 119.681 119.911 -0.230 1
1 86 . 11 1 1 A 15 15 ALA H H 15 9.364 8.499 0.865 1
1 87 . 11 1 1 A 15 15 ALA HA H 15 4.736 5.063 -0.327 1
1 91 . 11 1 1 A 15 15 ALA C C 15 175.056 175.472 -0.416 1
1 92 . 11 1 1 A 15 15 ALA CA C 15 51.496 50.658 0.838 1
1 93 . 11 1 1 A 15 15 ALA CB C 15 22.285 20.736 1.549 1
1 94 . 11 1 1 A 15 15 ALA N N 15 130.359 127.282 3.077 1
1 95 . 11 1 1 A 16 16 LEU H H 16 8.448 9.079 -0.631 1
1 96 . 11 1 1 A 16 16 LEU HA H 16 5.385 4.916 0.469 1
1 106 . 11 1 1 A 16 16 LEU C C 16 175.868 175.660 0.208 1
1 107 . 11 1 1 A 16 16 LEU CA C 16 53.224 54.196 -0.972 1
1 108 . 11 1 1 A 16 16 LEU CB C 16 45.061 41.526 3.535 1
1 112 . 11 1 1 A 16 16 LEU N N 16 120.470 124.216 -3.746 1
1 113 . 11 1 1 A 17 17 ALA H H 17 8.737 9.356 -0.619 1
1 114 . 11 1 1 A 17 17 ALA HA H 17 4.620 5.267 -0.647 1
1 118 . 11 1 1 A 17 17 ALA C C 17 175.371 175.180 0.191 1
1 119 . 11 1 1 A 17 17 ALA CA C 17 51.249 50.291 0.958 1
1 120 . 11 1 1 A 17 17 ALA CB C 17 22.570 21.287 1.283 1
1 121 . 11 1 1 A 17 17 ALA N N 17 124.938 128.755 -3.817 1
1 122 . 11 1 1 A 18 18 SER H H 18 8.675 8.851 -0.176 1
1 123 . 11 1 1 A 18 18 SER HA H 18 5.021 4.624 0.397 1
1 126 . 11 1 1 A 18 18 SER C C 18 174.678 173.447 1.231 1
1 127 . 11 1 1 A 18 18 SER CA C 18 57.244 56.732 0.512 1
1 128 . 11 1 1 A 18 18 SER CB C 18 64.200 64.101 0.099 1
1 129 . 11 1 1 A 18 18 SER N N 18 113.933 118.965 -5.032 1
1 130 . 11 1 1 A 19 19 GLU H H 19 9.743 8.724 1.019 1
1 131 . 11 1 1 A 19 19 GLU HA H 19 4.466 4.543 -0.077 1
1 136 . 11 1 1 A 19 19 GLU C C 19 176.368 176.323 0.045 1
1 137 . 11 1 1 A 19 19 GLU CA C 19 56.295 57.491 -1.196 1
1 138 . 11 1 1 A 19 19 GLU CB C 19 31.532 31.554 -0.022 1
1 140 . 11 1 1 A 19 19 GLU N N 19 127.234 125.738 1.496 1
1 141 . 11 1 1 A 20 20 THR H H 20 7.759 7.665 0.094 1
1 142 . 11 1 1 A 20 20 THR HA H 20 4.935 4.764 0.171 1
1 147 . 11 1 1 A 20 20 THR C C 20 171.770 174.190 -2.420 1
1 148 . 11 1 1 A 20 20 THR CA C 20 58.337 58.005 0.332 1
1 149 . 11 1 1 A 20 20 THR CB C 20 69.869 71.658 -1.789 1
1 151 . 11 1 1 A 20 20 THR N N 20 109.600 111.519 -1.919 1
1 152 . 11 1 1 A 21 21 PRO HA H 21 4.587 4.472 0.115 1
1 159 . 11 1 1 A 21 21 PRO C C 21 173.647 176.077 -2.430 1
1 160 . 11 1 1 A 21 21 PRO CA C 21 64.332 64.097 0.235 1
1 161 . 11 1 1 A 21 21 PRO CB C 21 32.380 31.467 0.913 1
1 164 . 11 1 1 A 22 22 ASP H H 22 7.420 7.951 -0.531 1
1 165 . 11 1 1 A 22 22 ASP HA H 22 4.648 5.043 -0.395 1
1 168 . 11 1 1 A 22 22 ASP C C 22 175.838 175.351 0.487 1
1 169 . 11 1 1 A 22 22 ASP CA C 22 51.037 54.105 -3.068 1
1 170 . 11 1 1 A 22 22 ASP CB C 22 42.177 42.980 -0.803 1
1 171 . 11 1 1 A 22 22 ASP N N 22 107.201 117.739 -10.538 1
1 172 . 11 1 1 A 23 23 SER H H 23 7.729 7.625 0.104 1
1 173 . 11 1 1 A 23 23 SER HA H 23 5.474 5.103 0.371 1
1 176 . 11 1 1 A 23 23 SER C C 23 171.887 172.225 -0.338 1
1 177 . 11 1 1 A 23 23 SER CA C 23 57.481 57.332 0.149 1
1 178 . 11 1 1 A 23 23 SER CB C 23 68.168 66.847 1.321 1
1 179 . 11 1 1 A 23 23 SER N N 23 112.046 114.220 -2.174 1
1 180 . 11 1 1 A 24 24 LEU H H 24 7.884 8.443 -0.559 1
1 181 . 11 1 1 A 24 24 LEU HA H 24 4.769 4.848 -0.079 1
1 191 . 11 1 1 A 24 24 LEU C C 24 174.542 174.779 -0.237 1
1 192 . 11 1 1 A 24 24 LEU CA C 24 53.576 53.808 -0.232 1
1 193 . 11 1 1 A 24 24 LEU CB C 24 47.616 45.556 2.060 1
1 197 . 11 1 1 A 24 24 LEU N N 24 119.324 124.438 -5.114 1
1 198 . 11 1 1 A 25 25 GLN H H 25 9.356 9.032 0.324 1
1 199 . 11 1 1 A 25 25 GLN HA H 25 4.747 4.661 0.086 1
1 206 . 11 1 1 A 25 25 GLN C C 25 174.824 174.876 -0.052 1
1 207 . 11 1 1 A 25 25 GLN CA C 25 55.533 55.550 -0.017 1
1 208 . 11 1 1 A 25 25 GLN CB C 25 29.759 29.965 -0.206 1
1 210 . 11 1 1 A 25 25 GLN N N 25 124.019 128.092 -4.073 1
1 212 . 11 1 1 A 26 26 VAL H H 26 9.020 8.135 0.885 1
1 213 . 11 1 1 A 26 26 VAL HA H 26 4.824 4.968 -0.144 1
1 221 . 11 1 1 A 26 26 VAL C C 26 174.556 174.153 0.403 1
1 222 . 11 1 1 A 26 26 VAL CA C 26 60.629 60.034 0.595 1
1 223 . 11 1 1 A 26 26 VAL CB C 26 33.355 35.224 -1.869 1
1 226 . 11 1 1 A 26 26 VAL N N 26 127.649 125.139 2.510 1
1 227 . 11 1 1 A 27 27 SER H H 27 9.056 8.787 0.269 1
1 228 . 11 1 1 A 27 27 SER HA H 27 4.857 5.036 -0.179 1
1 231 . 11 1 1 A 27 27 SER C C 27 172.328 173.282 -0.954 1
1 232 . 11 1 1 A 27 27 SER CA C 27 57.138 55.921 1.217 1
1 233 . 11 1 1 A 27 27 SER CB C 27 66.864 66.313 0.551 1
1 234 . 11 1 1 A 27 27 SER N N 27 119.826 122.179 -2.353 1
1 235 . 11 1 1 A 28 28 TRP H H 28 7.584 7.903 -0.319 1
1 236 . 11 1 1 A 28 28 TRP HA H 28 5.022 5.349 -0.327 1
1 245 . 11 1 1 A 28 28 TRP C C 28 174.055 172.986 1.069 1
1 246 . 11 1 1 A 28 28 TRP CA C 28 56.609 55.690 0.919 1
1 247 . 11 1 1 A 28 28 TRP CB C 28 29.814 31.300 -1.486 1
1 253 . 11 1 1 A 28 28 TRP N N 28 115.280 118.316 -3.036 1
1 255 . 11 1 1 A 29 29 THR H H 29 9.293 9.023 0.270 1
1 256 . 11 1 1 A 29 29 THR HA H 29 4.865 4.826 0.039 1
1 261 . 11 1 1 A 29 29 THR C C 29 173.203 173.650 -0.447 1
1 262 . 11 1 1 A 29 29 THR CA C 29 59.889 59.404 0.485 1
1 263 . 11 1 1 A 29 29 THR CB C 29 69.774 69.721 0.053 1
1 265 . 11 1 1 A 29 29 THR N N 29 117.164 115.567 1.597 1
1 266 . 11 1 1 A 30 30 PRO HA H 30 4.809 4.915 -0.106 1
1 273 . 11 1 1 A 30 30 PRO CA C 30 61.701 61.906 -0.205 1
1 274 . 11 1 1 A 30 30 PRO CB C 30 32.114 32.332 -0.218 1
1 277 . 11 1 1 A 31 31 PRO HA H 31 4.703 4.708 -0.005 1
1 284 . 11 1 1 A 31 31 PRO C C 31 175.384 176.700 -1.316 1
1 285 . 11 1 1 A 31 31 PRO CA C 31 61.793 62.449 -0.656 1
1 286 . 11 1 1 A 31 31 PRO CB C 31 32.822 33.467 -0.645 1
1 289 . 11 1 1 A 32 32 LEU H H 32 8.312 8.183 0.129 1
1 290 . 11 1 1 A 32 32 LEU HA H 32 4.333 4.227 0.106 1
1 300 . 11 1 1 A 32 32 LEU C C 32 177.793 177.792 0.001 1
1 301 . 11 1 1 A 32 32 LEU CA C 32 55.851 57.135 -1.284 1
1 302 . 11 1 1 A 32 32 LEU CB C 32 41.968 42.277 -0.309 1
1 306 . 11 1 1 A 32 32 LEU N N 32 119.044 118.249 0.795 1
1 307 . 11 1 1 A 33 33 GLY H H 33 8.147 7.949 0.198 1
1 308 . 11 1 1 A 33 33 GLY HA2 H 33 4.210 4.037 0.173 1
1 309 . 11 1 1 A 33 33 GLY HA3 H 33 4.051 4.048 0.003 1
1 310 . 11 1 1 A 33 33 GLY C C 33 172.971 173.691 -0.720 1
1 311 . 11 1 1 A 33 33 GLY CA C 33 44.216 45.660 -1.444 1
1 312 . 11 1 1 A 33 33 GLY N N 33 107.917 107.839 0.078 1
1 313 . 11 1 1 A 34 34 ARG H H 34 8.671 8.461 0.210 1
1 314 . 11 1 1 A 34 34 ARG HA H 34 4.405 4.323 0.082 1
1 321 . 11 1 1 A 34 34 ARG C C 34 174.517 175.362 -0.845 1
1 322 . 11 1 1 A 34 34 ARG CA C 34 55.339 56.996 -1.657 1
1 323 . 11 1 1 A 34 34 ARG CB C 34 29.137 31.063 -1.926 1
1 326 . 11 1 1 A 34 34 ARG N N 34 121.152 123.533 -2.381 1
1 327 . 11 1 1 A 35 35 VAL H H 35 7.825 8.793 -0.968 1
1 328 . 11 1 1 A 35 35 VAL HA H 35 3.060 4.175 -1.115 1
1 336 . 11 1 1 A 35 35 VAL C C 35 176.613 175.530 1.083 1
1 337 . 11 1 1 A 35 35 VAL CA C 35 62.505 61.538 0.967 1
1 338 . 11 1 1 A 35 35 VAL CB C 35 32.534 32.585 -0.051 1
1 341 . 11 1 1 A 35 35 VAL N N 35 126.379 127.097 -0.718 1
1 342 . 11 1 1 A 36 36 LEU H H 36 8.874 8.163 0.711 1
1 343 . 11 1 1 A 36 36 LEU HA H 36 4.176 3.988 0.188 1
1 353 . 11 1 1 A 36 36 LEU C C 36 177.540 176.993 0.547 1
1 354 . 11 1 1 A 36 36 LEU CA C 36 57.050 58.311 -1.261 1
1 355 . 11 1 1 A 36 36 LEU CB C 36 41.723 42.082 -0.359 1
1 359 . 11 1 1 A 36 36 LEU N N 36 127.956 129.307 -1.351 1
1 360 . 11 1 1 A 37 37 HIS H H 37 7.231 7.465 -0.234 1
1 361 . 11 1 1 A 37 37 HIS HA H 37 4.615 5.319 -0.704 1
1 366 . 11 1 1 A 37 37 HIS C C 37 171.558 171.744 -0.186 1
1 367 . 11 1 1 A 37 37 HIS CA C 37 55.005 54.106 0.899 1
1 368 . 11 1 1 A 37 37 HIS CB C 37 32.039 33.232 -1.193 1
1 371 . 11 1 1 A 37 37 HIS N N 37 112.948 112.255 0.693 1
1 372 . 11 1 1 A 38 38 TYR H H 38 9.836 8.954 0.882 1
1 373 . 11 1 1 A 38 38 TYR HA H 38 5.165 4.898 0.267 1
1 378 . 11 1 1 A 38 38 TYR C C 38 174.934 174.603 0.331 1
1 379 . 11 1 1 A 38 38 TYR CA C 38 56.698 56.339 0.359 1
1 380 . 11 1 1 A 38 38 TYR CB C 38 40.251 39.841 0.410 1
1 385 . 11 1 1 A 38 38 TYR N N 38 116.581 117.151 -0.570 1
1 386 . 11 1 1 A 39 39 TRP H H 39 8.984 8.572 0.412 1
1 387 . 11 1 1 A 39 39 TRP HA H 39 5.307 4.989 0.318 1
1 396 . 11 1 1 A 39 39 TRP C C 39 173.996 175.027 -1.031 1
1 397 . 11 1 1 A 39 39 TRP CA C 39 55.798 56.604 -0.806 1
1 398 . 11 1 1 A 39 39 TRP CB C 39 31.998 29.457 2.541 1
1 404 . 11 1 1 A 39 39 TRP N N 39 124.201 128.222 -4.021 1
1 406 . 11 1 1 A 40 40 LEU H H 40 8.695 8.454 0.241 1
1 407 . 11 1 1 A 40 40 LEU HA H 40 5.636 4.869 0.767 1
1 417 . 11 1 1 A 40 40 LEU C C 40 175.416 175.034 0.382 1
1 418 . 11 1 1 A 40 40 LEU CA C 40 54.030 53.706 0.324 1
1 419 . 11 1 1 A 40 40 LEU CB C 40 44.846 44.298 0.548 1
1 423 . 11 1 1 A 40 40 LEU N N 40 132.690 129.654 3.036 1
1 424 . 11 1 1 A 41 41 THR H H 41 9.103 8.850 0.253 1
1 425 . 11 1 1 A 41 41 THR HA H 41 5.341 5.067 0.274 1
1 430 . 11 1 1 A 41 41 THR C C 41 173.042 172.968 0.074 1
1 431 . 11 1 1 A 41 41 THR CA C 41 60.118 60.445 -0.327 1
1 432 . 11 1 1 A 41 41 THR CB C 41 71.493 70.839 0.654 1
1 434 . 11 1 1 A 41 41 THR N N 41 117.923 115.817 2.106 1
1 435 . 11 1 1 A 42 42 TYR H H 42 9.073 8.751 0.322 1
1 436 . 11 1 1 A 42 42 TYR HA H 42 5.915 5.983 -0.068 1
1 443 . 11 1 1 A 42 42 TYR C C 42 173.637 174.236 -0.599 1
1 444 . 11 1 1 A 42 42 TYR CA C 42 55.146 55.117 0.029 1
1 445 . 11 1 1 A 42 42 TYR CB C 42 42.124 41.747 0.377 1
1 450 . 11 1 1 A 42 42 TYR N N 42 118.958 121.850 -2.892 1
1 451 . 11 1 1 A 43 43 ALA H H 43 8.508 8.476 0.032 1
1 452 . 11 1 1 A 43 43 ALA HA H 43 5.099 4.599 0.500 1
1 456 . 11 1 1 A 43 43 ALA C C 43 173.859 176.834 -2.975 1
1 457 . 11 1 1 A 43 43 ALA CA C 43 50.156 50.136 0.020 1
1 458 . 11 1 1 A 43 43 ALA CB C 43 21.455 22.185 -0.730 1
1 459 . 11 1 1 A 43 43 ALA N N 43 122.386 121.484 0.902 1
1 460 . 11 1 1 A 44 44 PRO HA H 44 4.079 4.245 -0.166 1
1 467 . 11 1 1 A 44 44 PRO C C 44 178.191 176.557 1.634 1
1 468 . 11 1 1 A 44 44 PRO CA C 44 63.194 63.723 -0.529 1
1 469 . 11 1 1 A 44 44 PRO CB C 44 31.525 31.944 -0.419 1
1 472 . 11 1 1 A 45 45 ALA H H 45 8.934 7.972 0.962 1
1 473 . 11 1 1 A 45 45 ALA HA H 45 3.965 4.088 -0.123 1
1 477 . 11 1 1 A 45 45 ALA C C 45 177.272 177.125 0.147 1
1 478 . 11 1 1 A 45 45 ALA CA C 45 53.911 53.159 0.752 1
1 479 . 11 1 1 A 45 45 ALA CB C 45 18.221 17.167 1.054 1
1 480 . 11 1 1 A 45 45 ALA N N 45 129.632 119.908 9.724 1
1 481 . 11 1 1 A 46 46 SER H H 46 8.311 8.416 -0.105 1
1 482 . 11 1 1 A 46 46 SER HA H 46 4.193 4.589 -0.396 1
1 485 . 11 1 1 A 46 46 SER C C 46 175.546 175.236 0.310 1
1 486 . 11 1 1 A 46 46 SER CA C 46 58.584 59.100 -0.516 1
1 487 . 11 1 1 A 46 46 SER CB C 46 63.543 65.296 -1.753 1
1 488 . 11 1 1 A 46 46 SER N N 46 111.878 111.125 0.753 1
1 489 . 11 1 1 A 47 47 GLY H H 47 7.743 7.962 -0.219 1
1 490 . 11 1 1 A 47 47 GLY HA2 H 47 4.203 3.995 0.208 1
1 491 . 11 1 1 A 47 47 GLY HA3 H 47 3.840 3.997 -0.157 1
1 492 . 11 1 1 A 47 47 GLY C C 47 174.463 175.179 -0.716 1
1 493 . 11 1 1 A 47 47 GLY CA C 47 45.501 45.291 0.210 1
1 494 . 11 1 1 A 47 47 GLY N N 47 108.526 109.353 -0.827 1
1 495 . 11 1 1 A 48 48 LEU H H 48 7.794 8.151 -0.357 1
1 496 . 11 1 1 A 48 48 LEU HA H 48 4.448 4.144 0.304 1
1 506 . 11 1 1 A 48 48 LEU C C 48 176.668 177.633 -0.965 1
1 507 . 11 1 1 A 48 48 LEU CA C 48 54.470 58.018 -3.548 1
1 508 . 11 1 1 A 48 48 LEU CB C 48 41.445 41.214 0.231 1
1 512 . 11 1 1 A 48 48 LEU N N 48 120.348 119.679 0.669 1
1 513 . 11 1 1 A 49 49 GLY H H 49 7.889 7.676 0.213 1
1 514 . 11 1 1 A 49 49 GLY HA2 H 49 4.266 4.028 0.238 1
1 515 . 11 1 1 A 49 49 GLY HA3 H 49 3.965 4.032 -0.067 1
1 516 . 11 1 1 A 49 49 GLY C C 49 170.653 172.985 -2.332 1
1 517 . 11 1 1 A 49 49 GLY CA C 49 44.151 44.466 -0.315 1
1 518 . 11 1 1 A 49 49 GLY N N 49 108.892 108.199 0.693 1
1 519 . 11 1 1 A 50 50 PRO HA H 50 4.483 4.586 -0.103 1
1 526 . 11 1 1 A 50 50 PRO C C 50 176.143 176.119 0.024 1
1 527 . 11 1 1 A 50 50 PRO CA C 50 62.639 62.897 -0.258 1
1 528 . 11 1 1 A 50 50 PRO CB C 50 32.575 32.236 0.339 1
1 531 . 11 1 1 A 51 51 GLU H H 51 8.463 8.424 0.039 1
1 532 . 11 1 1 A 51 51 GLU HA H 51 4.560 4.688 -0.128 1
1 537 . 11 1 1 A 51 51 GLU C C 51 175.792 176.022 -0.230 1
1 538 . 11 1 1 A 51 51 GLU CA C 51 55.516 55.370 0.146 1
1 539 . 11 1 1 A 51 51 GLU CB C 51 31.305 31.396 -0.091 1
1 541 . 11 1 1 A 51 51 GLU N N 51 121.175 118.730 2.445 1
1 542 . 11 1 1 A 52 52 LYS H H 52 8.180 7.965 0.215 1
1 543 . 11 1 1 A 52 52 LYS HA H 52 4.511 4.521 -0.010 1
1 552 . 11 1 1 A 52 52 LYS C C 52 174.000 175.619 -1.619 1
1 553 . 11 1 1 A 52 52 LYS CA C 52 54.952 55.277 -0.325 1
1 554 . 11 1 1 A 52 52 LYS CB C 52 36.101 33.689 2.412 1
1 558 . 11 1 1 A 52 52 LYS N N 52 125.598 124.034 1.564 1
1 559 . 11 1 1 A 53 53 SER H H 53 8.087 8.658 -0.571 1
1 560 . 11 1 1 A 53 53 SER HA H 53 5.637 5.281 0.356 1
1 563 . 11 1 1 A 53 53 SER C C 53 173.704 172.847 0.857 1
1 564 . 11 1 1 A 53 53 SER CA C 53 56.662 57.417 -0.755 1
1 565 . 11 1 1 A 53 53 SER CB C 53 67.219 65.069 2.150 1
1 566 . 11 1 1 A 53 53 SER N N 53 112.778 112.466 0.312 1
1 567 . 11 1 1 A 54 54 VAL H H 54 8.940 8.551 0.389 1
1 568 . 11 1 1 A 54 54 VAL HA H 54 4.314 4.826 -0.512 1
1 576 . 11 1 1 A 54 54 VAL C C 54 172.304 174.345 -2.041 1
1 577 . 11 1 1 A 54 54 VAL CA C 54 60.506 59.793 0.713 1
1 578 . 11 1 1 A 54 54 VAL CB C 54 36.121 33.949 2.172 1
1 581 . 11 1 1 A 54 54 VAL N N 54 119.961 121.283 -1.322 1
1 582 . 11 1 1 A 55 55 SER H H 55 8.180 8.725 -0.545 1
1 583 . 11 1 1 A 55 55 SER HA H 55 5.461 5.017 0.444 1
1 586 . 11 1 1 A 55 55 SER C C 55 174.870 174.026 0.844 1
1 587 . 11 1 1 A 55 55 SER CA C 55 56.065 58.310 -2.245 1
1 588 . 11 1 1 A 55 55 SER CB C 55 64.094 64.363 -0.269 1
1 589 . 11 1 1 A 55 55 SER N N 55 117.963 119.316 -1.353 1
1 590 . 11 1 1 A 56 56 VAL H H 56 9.201 8.678 0.523 1
1 591 . 11 1 1 A 56 56 VAL HA H 56 4.780 4.631 0.149 1
1 599 . 11 1 1 A 56 56 VAL C C 56 173.446 174.077 -0.631 1
1 600 . 11 1 1 A 56 56 VAL CA C 56 58.760 58.971 -0.211 1
1 601 . 11 1 1 A 56 56 VAL CB C 56 35.954 35.892 0.062 1
1 604 . 11 1 1 A 56 56 VAL N N 56 127.863 125.853 2.010 1
1 605 . 11 1 1 A 57 57 PRO HA H 57 4.582 4.680 -0.098 1
1 612 . 11 1 1 A 57 57 PRO C C 57 176.776 178.598 -1.822 1
1 613 . 11 1 1 A 57 57 PRO CA C 57 64.226 63.542 0.684 1
1 614 . 11 1 1 A 57 57 PRO CB C 57 33.063 31.791 1.272 1
1 617 . 11 1 1 A 58 58 GLY H H 58 7.663 8.991 -1.328 1
1 618 . 11 1 1 A 58 58 GLY HA2 H 58 3.684 4.021 -0.337 1
1 619 . 11 1 1 A 58 58 GLY HA3 H 58 3.620 4.219 -0.599 1
1 620 . 11 1 1 A 58 58 GLY C C 58 173.755 175.476 -1.721 1
1 621 . 11 1 1 A 58 58 GLY CA C 58 46.877 47.419 -0.542 1
1 622 . 11 1 1 A 58 58 GLY N N 58 106.964 113.239 -6.275 1
1 623 . 11 1 1 A 59 59 ALA H H 59 7.900 8.118 -0.218 1
1 624 . 11 1 1 A 59 59 ALA HA H 59 4.516 4.043 0.473 1
1 628 . 11 1 1 A 59 59 ALA C C 59 178.104 177.476 0.628 1
1 629 . 11 1 1 A 59 59 ALA CA C 59 52.713 54.951 -2.238 1
1 630 . 11 1 1 A 59 59 ALA CB C 59 19.380 18.862 0.518 1
1 631 . 11 1 1 A 59 59 ALA N N 59 119.932 124.176 -4.244 1
1 632 . 11 1 1 A 60 60 ARG H H 60 8.306 7.997 0.309 1
1 633 . 11 1 1 A 60 60 ARG HA H 60 4.559 4.662 -0.103 1
1 640 . 11 1 1 A 60 60 ARG C C 60 174.842 175.451 -0.609 1
1 641 . 11 1 1 A 60 60 ARG CA C 60 55.357 54.813 0.544 1
1 642 . 11 1 1 A 60 60 ARG CB C 60 32.823 32.140 0.683 1
1 645 . 11 1 1 A 60 60 ARG N N 60 118.739 115.835 2.904 1
1 646 . 11 1 1 A 61 61 SER H H 61 8.229 8.126 0.103 1
1 647 . 11 1 1 A 61 61 SER HA H 61 3.709 4.319 -0.610 1
1 650 . 11 1 1 A 61 61 SER C C 61 170.973 172.265 -1.292 1
1 651 . 11 1 1 A 61 61 SER CA C 61 56.045 56.690 -0.645 1
1 652 . 11 1 1 A 61 61 SER CB C 61 63.329 63.038 0.291 1
1 653 . 11 1 1 A 61 61 SER N N 61 110.956 112.258 -1.302 1
1 654 . 11 1 1 A 62 62 HIS H H 62 6.458 6.823 -0.365 1
1 655 . 11 1 1 A 62 62 HIS HA H 62 4.626 3.911 0.715 1
1 660 . 11 1 1 A 62 62 HIS C C 62 173.581 173.248 0.333 1
1 661 . 11 1 1 A 62 62 HIS CA C 62 54.494 53.698 0.796 1
1 662 . 11 1 1 A 62 62 HIS CB C 62 32.485 31.729 0.756 1
1 665 . 11 1 1 A 62 62 HIS N N 62 113.571 116.083 -2.512 1
1 666 . 11 1 1 A 63 63 VAL H H 63 8.794 8.307 0.487 1
1 667 . 11 1 1 A 63 63 VAL HA H 63 4.325 4.509 -0.184 1
1 675 . 11 1 1 A 63 63 VAL C C 63 171.906 174.174 -2.268 1
1 676 . 11 1 1 A 63 63 VAL CA C 63 61.052 60.612 0.440 1
1 677 . 11 1 1 A 63 63 VAL CB C 63 34.800 34.531 0.269 1
1 680 . 11 1 1 A 63 63 VAL N N 63 118.122 118.855 -0.733 1
1 681 . 11 1 1 A 64 64 THR H H 64 8.316 8.690 -0.374 1
1 682 . 11 1 1 A 64 64 THR HA H 64 4.970 4.865 0.105 1
1 687 . 11 1 1 A 64 64 THR C C 64 173.412 173.685 -0.273 1
1 688 . 11 1 1 A 64 64 THR CA C 64 61.775 62.028 -0.253 1
1 689 . 11 1 1 A 64 64 THR CB C 64 69.851 70.043 -0.192 1
1 691 . 11 1 1 A 64 64 THR N N 64 122.871 122.994 -0.123 1
1 692 . 11 1 1 A 65 65 LEU H H 65 9.348 8.681 0.667 1
1 693 . 11 1 1 A 65 65 LEU HA H 65 4.584 4.787 -0.203 1
1 703 . 11 1 1 A 65 65 LEU C C 65 173.397 174.983 -1.586 1
1 704 . 11 1 1 A 65 65 LEU CA C 65 50.297 51.189 -0.892 1
1 705 . 11 1 1 A 65 65 LEU CB C 65 41.547 42.094 -0.547 1
1 709 . 11 1 1 A 65 65 LEU N N 65 129.778 127.846 1.932 1
1 710 . 11 1 1 A 66 66 PRO HA H 66 4.868 4.341 0.527 1
1 717 . 11 1 1 A 66 66 PRO C C 66 175.188 176.282 -1.094 1
1 718 . 11 1 1 A 66 66 PRO CA C 66 61.370 62.892 -1.522 1
1 719 . 11 1 1 A 66 66 PRO CB C 66 33.700 32.551 1.149 1
1 722 . 11 1 1 A 67 67 ASP H H 67 8.729 8.496 0.233 1
1 723 . 11 1 1 A 67 67 ASP HA H 67 4.333 4.131 0.202 1
1 726 . 11 1 1 A 67 67 ASP C C 67 175.824 174.900 0.924 1
1 727 . 11 1 1 A 67 67 ASP CA C 67 55.181 54.857 0.324 1
1 728 . 11 1 1 A 67 67 ASP CB C 67 39.225 39.531 -0.306 1
1 729 . 11 1 1 A 67 67 ASP N N 67 113.984 116.309 -2.325 1
1 730 . 11 1 1 A 68 68 LEU H H 68 8.599 7.578 1.021 1
1 731 . 11 1 1 A 68 68 LEU HA H 68 4.414 4.806 -0.392 1
1 741 . 11 1 1 A 68 68 LEU C C 68 176.487 176.018 0.469 1
1 742 . 11 1 1 A 68 68 LEU CA C 68 53.259 53.099 0.160 1
1 743 . 11 1 1 A 68 68 LEU CB C 68 41.630 44.350 -2.720 1
1 747 . 11 1 1 A 68 68 LEU N N 68 118.102 118.055 0.047 1
1 748 . 11 1 1 A 69 69 GLN H H 69 8.114 8.723 -0.609 1
1 749 . 11 1 1 A 69 69 GLN HA H 69 4.349 4.602 -0.253 1
1 756 . 11 1 1 A 69 69 GLN C C 69 175.669 176.624 -0.955 1
1 757 . 11 1 1 A 69 69 GLN CA C 69 54.722 54.847 -0.125 1
1 758 . 11 1 1 A 69 69 GLN CB C 69 30.803 30.397 0.406 1
1 760 . 11 1 1 A 69 69 GLN N N 69 118.191 119.825 -1.634 1
1 762 . 11 1 1 A 70 70 ALA H H 70 8.240 8.565 -0.325 1
1 763 . 11 1 1 A 70 70 ALA HA H 70 4.835 4.699 0.136 1
1 767 . 11 1 1 A 70 70 ALA C C 70 178.720 177.928 0.792 1
1 768 . 11 1 1 A 70 70 ALA CA C 70 52.501 52.998 -0.497 1
1 769 . 11 1 1 A 70 70 ALA CB C 70 20.257 20.412 -0.155 1
1 770 . 11 1 1 A 70 70 ALA N N 70 124.989 123.308 1.681 1
1 771 . 11 1 1 A 71 71 ALA H H 71 8.003 7.843 0.160 1
1 772 . 11 1 1 A 71 71 ALA HA H 71 3.974 4.509 -0.535 1
1 776 . 11 1 1 A 71 71 ALA C C 71 176.118 175.761 0.357 1
1 777 . 11 1 1 A 71 71 ALA CA C 71 52.491 51.107 1.384 1
1 778 . 11 1 1 A 71 71 ALA CB C 71 18.439 19.213 -0.774 1
1 779 . 11 1 1 A 71 71 ALA N N 71 128.133 118.752 9.381 1
1 780 . 11 1 1 A 72 72 THR H H 72 8.391 8.481 -0.090 1
1 781 . 11 1 1 A 72 72 THR HA H 72 4.563 4.781 -0.218 1
1 786 . 11 1 1 A 72 72 THR C C 72 172.643 173.071 -0.428 1
1 787 . 11 1 1 A 72 72 THR CA C 72 62.856 61.288 1.568 1
1 788 . 11 1 1 A 72 72 THR CB C 72 71.924 72.621 -0.697 1
1 790 . 11 1 1 A 72 72 THR N N 72 114.280 115.667 -1.387 1
1 791 . 11 1 1 A 73 73 LYS H H 73 8.691 8.395 0.296 1
1 792 . 11 1 1 A 73 73 LYS HA H 73 4.846 4.875 -0.029 1
1 801 . 11 1 1 A 73 73 LYS C C 73 176.405 175.350 1.055 1
1 802 . 11 1 1 A 73 73 LYS CA C 73 55.992 55.823 0.169 1
1 803 . 11 1 1 A 73 73 LYS CB C 73 33.535 33.800 -0.265 1
1 807 . 11 1 1 A 73 73 LYS N N 73 125.989 125.216 0.773 1
1 808 . 11 1 1 A 74 74 TYR H H 74 9.569 9.007 0.562 1
1 809 . 11 1 1 A 74 74 TYR HA H 74 4.758 5.394 -0.636 1
1 816 . 11 1 1 A 74 74 TYR C C 74 173.567 174.587 -1.020 1
1 817 . 11 1 1 A 74 74 TYR CA C 74 58.778 56.552 2.226 1
1 818 . 11 1 1 A 74 74 TYR CB C 74 42.667 40.748 1.919 1
1 823 . 11 1 1 A 74 74 TYR N N 74 126.436 120.673 5.763 1
1 824 . 11 1 1 A 75 75 ARG H H 75 9.005 8.967 0.038 1
1 825 . 11 1 1 A 75 75 ARG HA H 75 5.053 4.497 0.556 1
1 832 . 11 1 1 A 75 75 ARG C C 75 175.042 174.787 0.255 1
1 833 . 11 1 1 A 75 75 ARG CA C 75 55.027 56.319 -1.292 1
1 834 . 11 1 1 A 75 75 ARG CB C 75 32.284 30.385 1.899 1
1 837 . 11 1 1 A 75 75 ARG N N 75 121.560 125.375 -3.815 1
1 838 . 11 1 1 A 76 76 VAL H H 76 9.127 8.704 0.423 1
1 839 . 11 1 1 A 76 76 VAL HA H 76 4.977 4.446 0.531 1
1 847 . 11 1 1 A 76 76 VAL C C 76 173.144 175.376 -2.232 1
1 848 . 11 1 1 A 76 76 VAL CA C 76 60.876 62.729 -1.853 1
1 849 . 11 1 1 A 76 76 VAL CB C 76 34.922 31.499 3.423 1
1 852 . 11 1 1 A 76 76 VAL N N 76 127.571 127.011 0.560 1
1 853 . 11 1 1 A 77 77 LEU H H 77 9.083 9.441 -0.358 1
1 854 . 11 1 1 A 77 77 LEU HA H 77 5.350 5.575 -0.225 1
1 864 . 11 1 1 A 77 77 LEU C C 77 176.622 175.844 0.778 1
1 865 . 11 1 1 A 77 77 LEU CA C 77 53.911 53.340 0.571 1
1 866 . 11 1 1 A 77 77 LEU CB C 77 44.959 42.672 2.287 1
1 870 . 11 1 1 A 77 77 LEU N N 77 127.310 129.069 -1.759 1
1 871 . 11 1 1 A 78 78 VAL H H 78 8.918 8.591 0.327 1
1 872 . 11 1 1 A 78 78 VAL HA H 78 4.890 4.725 0.165 1
1 880 . 11 1 1 A 78 78 VAL C C 78 174.235 175.092 -0.857 1
1 881 . 11 1 1 A 78 78 VAL CA C 78 61.193 60.965 0.228 1
1 882 . 11 1 1 A 78 78 VAL CB C 78 34.718 33.596 1.122 1
1 885 . 11 1 1 A 78 78 VAL N N 78 119.228 126.806 -7.578 1
1 886 . 11 1 1 A 79 79 SER H H 79 8.598 8.347 0.251 1
1 887 . 11 1 1 A 79 79 SER HA H 79 4.725 4.899 -0.174 1
1 890 . 11 1 1 A 79 79 SER C C 79 172.877 172.907 -0.030 1
1 891 . 11 1 1 A 79 79 SER CA C 79 56.680 57.521 -0.841 1
1 892 . 11 1 1 A 79 79 SER CB C 79 65.806 66.107 -0.301 1
1 893 . 11 1 1 A 79 79 SER N N 79 119.664 123.843 -4.179 1
1 894 . 11 1 1 A 80 80 ALA H H 80 8.939 8.505 0.434 1
1 895 . 11 1 1 A 80 80 ALA HA H 80 4.325 3.827 0.498 1
1 899 . 11 1 1 A 80 80 ALA C C 80 174.050 176.417 -2.367 1
1 900 . 11 1 1 A 80 80 ALA CA C 80 51.126 51.719 -0.593 1
1 901 . 11 1 1 A 80 80 ALA CB C 80 21.990 18.724 3.266 1
1 902 . 11 1 1 A 80 80 ALA N N 80 126.283 128.122 -1.839 1
1 903 . 11 1 1 A 81 81 ILE H H 81 8.424 8.144 0.280 1
1 904 . 11 1 1 A 81 81 ILE HA H 81 4.116 4.595 -0.479 1
1 914 . 11 1 1 A 81 81 ILE C C 81 173.862 174.264 -0.402 1
1 915 . 11 1 1 A 81 81 ILE CA C 81 61.175 60.360 0.815 1
1 916 . 11 1 1 A 81 81 ILE CB C 81 36.015 38.636 -2.621 1
1 920 . 11 1 1 A 81 81 ILE N N 81 123.033 122.725 0.308 1
1 921 . 11 1 1 A 82 82 TYR H H 82 8.377 8.685 -0.308 1
1 922 . 11 1 1 A 82 82 TYR HA H 82 4.681 4.868 -0.187 1
1 929 . 11 1 1 A 82 82 TYR C C 82 176.146 176.388 -0.242 1
1 930 . 11 1 1 A 82 82 TYR CA C 82 56.309 56.894 -0.585 1
1 931 . 11 1 1 A 82 82 TYR CB C 82 40.734 42.410 -1.676 1
1 936 . 11 1 1 A 82 82 TYR N N 82 125.168 126.004 -0.836 1
1 937 . 11 1 1 A 83 83 ALA H H 83 9.437 9.021 0.416 1
1 938 . 11 1 1 A 83 83 ALA HA H 83 4.059 4.092 -0.033 1
1 942 . 11 1 1 A 83 83 ALA C C 83 179.312 180.172 -0.860 1
1 943 . 11 1 1 A 83 83 ALA CA C 83 55.729 55.591 0.138 1
1 944 . 11 1 1 A 83 83 ALA CB C 83 17.613 18.050 -0.437 1
1 945 . 11 1 1 A 83 83 ALA N N 83 125.234 124.248 0.986 1
1 946 . 11 1 1 A 84 84 ALA H H 84 7.823 7.878 -0.055 1
1 947 . 11 1 1 A 84 84 ALA HA H 84 4.434 4.148 0.286 1
1 951 . 11 1 1 A 84 84 ALA C C 84 176.808 177.636 -0.828 1
1 952 . 11 1 1 A 84 84 ALA CA C 84 51.936 54.728 -2.792 1
1 953 . 11 1 1 A 84 84 ALA CB C 84 19.514 19.839 -0.325 1
1 954 . 11 1 1 A 84 84 ALA N N 84 114.587 119.850 -5.263 1
1 955 . 11 1 1 A 85 85 GLY H H 85 7.366 7.370 -0.004 1
1 956 . 11 1 1 A 85 85 GLY HA2 H 85 4.362 4.011 0.351 1
1 957 . 11 1 1 A 85 85 GLY HA3 H 85 3.835 4.018 -0.183 1
1 958 . 11 1 1 A 85 85 GLY C C 85 171.544 172.139 -0.595 1
1 959 . 11 1 1 A 85 85 GLY CA C 85 44.576 45.767 -1.191 1
1 960 . 11 1 1 A 85 85 GLY N N 85 105.342 101.925 3.417 1
1 961 . 11 1 1 A 86 86 ARG H H 86 8.626 8.421 0.205 1
1 962 . 11 1 1 A 86 86 ARG HA H 86 5.263 4.787 0.476 1
1 969 . 11 1 1 A 86 86 ARG C C 86 176.925 176.029 0.896 1
1 970 . 11 1 1 A 86 86 ARG CA C 86 54.863 55.823 -0.960 1
1 971 . 11 1 1 A 86 86 ARG CB C 86 33.491 30.997 2.494 1
1 974 . 11 1 1 A 86 86 ARG N N 86 118.147 117.791 0.356 1
1 975 . 11 1 1 A 87 87 SER H H 87 9.496 8.797 0.699 1
1 976 . 11 1 1 A 87 87 SER HA H 87 4.747 4.627 0.120 1
1 979 . 11 1 1 A 87 87 SER C C 87 174.538 174.509 0.029 1
1 980 . 11 1 1 A 87 87 SER CA C 87 58.284 57.770 0.514 1
1 981 . 11 1 1 A 87 87 SER CB C 87 67.271 65.483 1.788 1
1 982 . 11 1 1 A 87 87 SER N N 87 119.835 114.595 5.240 1
1 983 . 11 1 1 A 88 88 GLU H H 88 9.058 8.566 0.492 1
1 984 . 11 1 1 A 88 88 GLU HA H 88 4.342 4.209 0.133 1
1 989 . 11 1 1 A 88 88 GLU C C 88 176.157 175.886 0.271 1
1 990 . 11 1 1 A 88 88 GLU CA C 88 56.874 56.263 0.611 1
1 991 . 11 1 1 A 88 88 GLU CB C 88 30.350 30.241 0.109 1
1 993 . 11 1 1 A 88 88 GLU N N 88 119.700 120.100 -0.400 1
1 994 . 11 1 1 A 89 89 ALA H H 89 8.674 8.539 0.135 1
1 995 . 11 1 1 A 89 89 ALA HA H 89 4.918 5.466 -0.548 1
1 999 . 11 1 1 A 89 89 ALA C C 89 178.887 176.040 2.847 1
1 1000 . 11 1 1 A 89 89 ALA CA C 89 51.340 50.382 0.958 1
1 1001 . 11 1 1 A 89 89 ALA CB C 89 20.130 21.811 -1.681 1
1 1002 . 11 1 1 A 89 89 ALA N N 89 125.485 122.746 2.739 1
1 1003 . 11 1 1 A 90 90 VAL H H 90 8.621 8.547 0.074 1
1 1004 . 11 1 1 A 90 90 VAL HA H 90 4.562 4.809 -0.247 1
1 1012 . 11 1 1 A 90 90 VAL C C 90 174.251 175.534 -1.283 1
1 1013 . 11 1 1 A 90 90 VAL CA C 90 60.365 60.433 -0.068 1
1 1014 . 11 1 1 A 90 90 VAL CB C 90 33.770 33.494 0.276 1
1 1017 . 11 1 1 A 90 90 VAL N N 90 119.440 119.099 0.341 1
1 1018 . 11 1 1 A 91 91 SER H H 91 8.373 8.932 -0.559 1
1 1019 . 11 1 1 A 91 91 SER HA H 91 5.877 5.155 0.722 1
1 1022 . 11 1 1 A 91 91 SER C C 91 174.245 173.647 0.598 1
1 1023 . 11 1 1 A 91 91 SER CA C 91 56.109 56.231 -0.122 1
1 1024 . 11 1 1 A 91 91 SER CB C 91 67.620 65.246 2.374 1
1 1025 . 11 1 1 A 91 91 SER N N 91 116.084 120.842 -4.758 1
1 1026 . 11 1 1 A 92 92 ALA H H 92 8.900 8.824 0.076 1
1 1027 . 11 1 1 A 92 92 ALA HA H 92 4.681 4.892 -0.211 1
1 1031 . 11 1 1 A 92 92 ALA C C 92 175.187 176.249 -1.062 1
1 1032 . 11 1 1 A 92 92 ALA CA C 92 51.990 52.004 -0.014 1
1 1033 . 11 1 1 A 92 92 ALA CB C 92 23.056 22.143 0.913 1
1 1034 . 11 1 1 A 92 92 ALA N N 92 123.885 122.245 1.640 1
1 1035 . 11 1 1 A 93 93 THR H H 93 8.466 8.693 -0.227 1
1 1036 . 11 1 1 A 93 93 THR HA H 93 5.623 5.082 0.541 1
1 1041 . 11 1 1 A 93 93 THR C C 93 174.366 174.508 -0.142 1
1 1042 . 11 1 1 A 93 93 THR CA C 93 60.154 60.803 -0.649 1
1 1043 . 11 1 1 A 93 93 THR CB C 93 71.657 70.126 1.531 1
1 1045 . 11 1 1 A 93 93 THR N N 93 112.591 115.071 -2.480 1
1 1046 . 11 1 1 A 94 94 GLY H H 94 8.657 8.886 -0.229 1
1 1047 . 11 1 1 A 94 94 GLY HA2 H 94 4.483 4.255 0.228 1
1 1048 . 11 1 1 A 94 94 GLY HA3 H 94 3.625 4.261 -0.636 1
1 1049 . 11 1 1 A 94 94 GLY C C 94 170.518 173.305 -2.787 1
1 1050 . 11 1 1 A 94 94 GLY CA C 94 44.849 45.166 -0.317 1
1 1051 . 11 1 1 A 94 94 GLY N N 94 111.375 110.341 1.034 1
1 1052 . 11 1 1 A 95 95 GLN H H 95 8.667 8.911 -0.244 1
1 1053 . 11 1 1 A 95 95 GLN HA H 95 5.491 4.666 0.825 1
1 1060 . 11 1 1 A 95 95 GLN C C 95 176.226 175.404 0.822 1
1 1061 . 11 1 1 A 95 95 GLN CA C 95 54.000 56.570 -2.570 1
1 1062 . 11 1 1 A 95 95 GLN CB C 95 32.822 29.548 3.274 1
1 1064 . 11 1 1 A 95 95 GLN N N 95 120.893 126.340 -5.447 1
1 1066 . 11 1 1 A 96 96 THR H H 96 8.609 8.183 0.426 1
1 1067 . 11 1 1 A 96 96 THR HA H 96 4.384 4.592 -0.208 1
1 1072 . 11 1 1 A 96 96 THR C C 96 175.194 174.743 0.451 1
1 1073 . 11 1 1 A 96 96 THR CA C 96 60.783 60.884 -0.101 1
1 1074 . 11 1 1 A 96 96 THR CB C 96 70.198 71.362 -1.164 1
1 1076 . 11 1 1 A 96 96 THR N N 96 115.777 114.674 1.103 1
1 1077 . 11 1 1 A 97 97 ALA H H 97 8.009 8.394 -0.385 1
1 1078 . 11 1 1 A 97 97 ALA HA H 97 4.186 4.403 -0.217 1
1 1082 . 11 1 1 A 97 97 ALA C C 97 176.174 177.608 -1.434 1
1 1083 . 11 1 1 A 97 97 ALA CA C 97 52.077 51.795 0.282 1
1 1084 . 11 1 1 A 97 97 ALA CB C 97 19.001 19.486 -0.485 1
1 1085 . 11 1 1 A 97 97 ALA N N 97 120.015 123.123 -3.108 1
1 1086 . 11 1 1 A 98 98 CYS H H 98 8.239 8.850 -0.611 1
1 1087 . 11 1 1 A 98 98 CYS HA H 98 4.705 4.540 0.165 1
1 1090 . 11 1 1 A 98 98 CYS C C 98 173.203 174.748 -1.545 1
1 1091 . 11 1 1 A 98 98 CYS CA C 98 56.644 58.768 -2.124 1
1 1092 . 11 1 1 A 98 98 CYS CB C 98 27.357 27.301 0.056 1
1 1093 . 11 1 1 A 98 98 CYS N N 98 116.874 121.973 -5.099 1
1 1094 . 11 1 1 A 99 99 PRO HA H 99 4.421 4.525 -0.104 1
1 1101 . 11 1 1 A 99 99 PRO CA C 99 63.337 64.096 -0.759 1
1 1102 . 11 1 1 A 99 99 PRO CB C 99 32.132 32.076 0.056 1
1 1105 . 11 1 1 A 100 100 SER H H 100 8.463 7.960 0.503 1
1 1106 . 11 1 1 A 100 100 SER HA H 100 4.470 4.200 0.270 1
1 1109 . 11 1 1 A 100 100 SER CA C 100 58.453 60.934 -2.481 1
1 1110 . 11 1 1 A 100 100 SER CB C 100 64.023 63.323 0.700 1
1 1111 . 11 1 1 A 100 100 SER N N 100 116.426 113.200 3.226 1
1 1112 . 11 1 1 A 101 101 GLY H H 101 8.237 7.807 0.430 1
1 1113 . 11 1 1 A 101 101 GLY HA2 H 101 4.165 4.111 0.054 1
1 1114 . 11 1 1 A 101 101 GLY HA3 H 101 4.100 4.111 -0.011 1
1 1115 . 11 1 1 A 101 101 GLY CA C 101 44.647 44.607 0.040 1
1 1116 . 11 1 1 A 101 101 GLY N N 101 110.731 107.801 2.930 1
1 1117 . 11 1 1 A 102 102 PRO HA H 102 4.484 4.695 -0.211 1
1 1123 . 11 1 1 A 102 102 PRO CA C 102 63.069 62.633 0.436 1
1 1124 . 11 1 1 A 102 102 PRO CB C 102 32.189 31.399 0.790 1
1 1127 . 11 1 1 A 103 103 SER H H 103 8.540 8.546 -0.006 1
1 1 . 12 1 1 A 5 5 SER N N 5 119.122 120.432 -1.310 1
1 2 . 12 1 1 A 6 6 SER N N 6 123.945 116.855 7.090 1
1 3 . 12 1 1 A 7 7 GLY HA2 H 7 3.813 3.885 -0.072 1
1 4 . 12 1 1 A 7 7 GLY HA3 H 7 3.813 3.887 -0.074 1
1 5 . 12 1 1 A 7 7 GLY CA C 7 45.375 45.166 0.209 1
1 6 . 12 1 1 A 8 8 ARG H H 8 7.999 7.820 0.179 1
1 7 . 12 1 1 A 8 8 ARG HA H 8 3.712 3.942 -0.230 1
1 14 . 12 1 1 A 8 8 ARG CA C 8 54.185 54.542 -0.357 1
1 15 . 12 1 1 A 8 8 ARG CB C 8 29.555 32.259 -2.704 1
1 18 . 12 1 1 A 8 8 ARG N N 8 121.209 121.088 0.121 1
1 19 . 12 1 1 A 9 9 SER H H 9 7.810 8.536 -0.726 1
1 20 . 12 1 1 A 9 9 SER HA H 9 4.725 5.021 -0.296 1
1 23 . 12 1 1 A 9 9 SER CA C 9 58.455 54.590 3.865 1
1 24 . 12 1 1 A 9 9 SER CB C 9 62.966 65.286 -2.320 1
1 25 . 12 1 1 A 9 9 SER N N 9 118.072 119.399 -1.327 1
1 26 . 12 1 1 A 10 10 PRO HA H 10 5.182 4.997 0.185 1
1 33 . 12 1 1 A 10 10 PRO CA C 10 61.759 61.317 0.442 1
1 34 . 12 1 1 A 10 10 PRO CB C 10 30.280 31.540 -1.260 1
1 37 . 12 1 1 A 11 11 PRO HA H 11 4.567 4.689 -0.122 1
1 44 . 12 1 1 A 11 11 PRO C C 11 173.556 176.029 -2.473 1
1 45 . 12 1 1 A 11 11 PRO CA C 11 62.674 62.669 0.005 1
1 46 . 12 1 1 A 11 11 PRO CB C 11 33.026 31.573 1.453 1
1 49 . 12 1 1 A 12 12 SER H H 12 8.427 8.649 -0.222 1
1 50 . 12 1 1 A 12 12 SER HA H 12 4.890 4.963 -0.073 1
1 53 . 12 1 1 A 12 12 SER C C 12 173.115 173.779 -0.664 1
1 54 . 12 1 1 A 12 12 SER CA C 12 56.556 57.158 -0.602 1
1 55 . 12 1 1 A 12 12 SER CB C 12 66.882 65.968 0.914 1
1 56 . 12 1 1 A 12 12 SER N N 12 111.345 118.152 -6.807 1
1 57 . 12 1 1 A 13 13 ASN H H 13 8.973 8.797 0.176 1
1 58 . 12 1 1 A 13 13 ASN HA H 13 4.318 4.279 0.039 1
1 63 . 12 1 1 A 13 13 ASN C C 13 173.850 174.697 -0.847 1
1 64 . 12 1 1 A 13 13 ASN CA C 13 53.928 54.160 -0.232 1
1 65 . 12 1 1 A 13 13 ASN CB C 13 37.365 36.947 0.418 1
1 66 . 12 1 1 A 13 13 ASN N N 13 115.970 116.859 -0.889 1
1 68 . 12 1 1 A 14 14 LEU H H 14 8.223 8.212 0.011 1
1 69 . 12 1 1 A 14 14 LEU HA H 14 4.857 4.331 0.526 1
1 79 . 12 1 1 A 14 14 LEU C C 14 176.725 177.083 -0.358 1
1 80 . 12 1 1 A 14 14 LEU CA C 14 56.115 56.006 0.109 1
1 81 . 12 1 1 A 14 14 LEU CB C 14 42.621 41.899 0.722 1
1 85 . 12 1 1 A 14 14 LEU N N 14 119.681 119.927 -0.246 1
1 86 . 12 1 1 A 15 15 ALA H H 15 9.364 8.251 1.113 1
1 87 . 12 1 1 A 15 15 ALA HA H 15 4.736 5.057 -0.321 1
1 91 . 12 1 1 A 15 15 ALA C C 15 175.056 175.505 -0.449 1
1 92 . 12 1 1 A 15 15 ALA CA C 15 51.496 50.931 0.565 1
1 93 . 12 1 1 A 15 15 ALA CB C 15 22.285 20.794 1.491 1
1 94 . 12 1 1 A 15 15 ALA N N 15 130.359 125.468 4.891 1
1 95 . 12 1 1 A 16 16 LEU H H 16 8.448 9.067 -0.619 1
1 96 . 12 1 1 A 16 16 LEU HA H 16 5.385 5.024 0.361 1
1 106 . 12 1 1 A 16 16 LEU C C 16 175.868 175.940 -0.072 1
1 107 . 12 1 1 A 16 16 LEU CA C 16 53.224 53.877 -0.653 1
1 108 . 12 1 1 A 16 16 LEU CB C 16 45.061 41.892 3.169 1
1 112 . 12 1 1 A 16 16 LEU N N 16 120.470 124.156 -3.686 1
1 113 . 12 1 1 A 17 17 ALA H H 17 8.737 9.412 -0.675 1
1 114 . 12 1 1 A 17 17 ALA HA H 17 4.620 5.367 -0.747 1
1 118 . 12 1 1 A 17 17 ALA C C 17 175.371 175.207 0.164 1
1 119 . 12 1 1 A 17 17 ALA CA C 17 51.249 50.059 1.190 1
1 120 . 12 1 1 A 17 17 ALA CB C 17 22.570 21.804 0.766 1
1 121 . 12 1 1 A 17 17 ALA N N 17 124.938 128.640 -3.702 1
1 122 . 12 1 1 A 18 18 SER H H 18 8.675 8.840 -0.165 1
1 123 . 12 1 1 A 18 18 SER HA H 18 5.021 4.830 0.191 1
1 126 . 12 1 1 A 18 18 SER C C 18 174.678 173.842 0.836 1
1 127 . 12 1 1 A 18 18 SER CA C 18 57.244 56.519 0.725 1
1 128 . 12 1 1 A 18 18 SER CB C 18 64.200 64.098 0.102 1
1 129 . 12 1 1 A 18 18 SER N N 18 113.933 117.993 -4.060 1
1 130 . 12 1 1 A 19 19 GLU H H 19 9.743 8.777 0.966 1
1 131 . 12 1 1 A 19 19 GLU HA H 19 4.466 4.593 -0.127 1
1 136 . 12 1 1 A 19 19 GLU C C 19 176.368 176.309 0.059 1
1 137 . 12 1 1 A 19 19 GLU CA C 19 56.295 57.429 -1.134 1
1 138 . 12 1 1 A 19 19 GLU CB C 19 31.532 32.010 -0.478 1
1 140 . 12 1 1 A 19 19 GLU N N 19 127.234 125.690 1.544 1
1 141 . 12 1 1 A 20 20 THR H H 20 7.759 7.131 0.628 1
1 142 . 12 1 1 A 20 20 THR HA H 20 4.935 4.694 0.241 1
1 147 . 12 1 1 A 20 20 THR C C 20 171.770 173.938 -2.168 1
1 148 . 12 1 1 A 20 20 THR CA C 20 58.337 58.267 0.070 1
1 149 . 12 1 1 A 20 20 THR CB C 20 69.869 71.748 -1.879 1
1 151 . 12 1 1 A 20 20 THR N N 20 109.600 111.302 -1.702 1
1 152 . 12 1 1 A 21 21 PRO HA H 21 4.587 4.524 0.063 1
1 159 . 12 1 1 A 21 21 PRO C C 21 173.647 176.283 -2.636 1
1 160 . 12 1 1 A 21 21 PRO CA C 21 64.332 64.134 0.198 1
1 161 . 12 1 1 A 21 21 PRO CB C 21 32.380 31.615 0.765 1
1 164 . 12 1 1 A 22 22 ASP H H 22 7.420 8.321 -0.901 1
1 165 . 12 1 1 A 22 22 ASP HA H 22 4.648 4.909 -0.261 1
1 168 . 12 1 1 A 22 22 ASP C C 22 175.838 175.447 0.391 1
1 169 . 12 1 1 A 22 22 ASP CA C 22 51.037 54.127 -3.090 1
1 170 . 12 1 1 A 22 22 ASP CB C 22 42.177 42.434 -0.257 1
1 171 . 12 1 1 A 22 22 ASP N N 22 107.201 117.565 -10.364 1
1 172 . 12 1 1 A 23 23 SER H H 23 7.729 7.562 0.167 1
1 173 . 12 1 1 A 23 23 SER HA H 23 5.474 5.020 0.454 1
1 176 . 12 1 1 A 23 23 SER C C 23 171.887 172.055 -0.168 1
1 177 . 12 1 1 A 23 23 SER CA C 23 57.481 57.569 -0.088 1
1 178 . 12 1 1 A 23 23 SER CB C 23 68.168 66.909 1.259 1
1 179 . 12 1 1 A 23 23 SER N N 23 112.046 113.720 -1.674 1
1 180 . 12 1 1 A 24 24 LEU H H 24 7.884 8.417 -0.533 1
1 181 . 12 1 1 A 24 24 LEU HA H 24 4.769 4.889 -0.120 1
1 191 . 12 1 1 A 24 24 LEU C C 24 174.542 174.269 0.273 1
1 192 . 12 1 1 A 24 24 LEU CA C 24 53.576 53.732 -0.156 1
1 193 . 12 1 1 A 24 24 LEU CB C 24 47.616 45.966 1.650 1
1 197 . 12 1 1 A 24 24 LEU N N 24 119.324 124.530 -5.206 1
1 198 . 12 1 1 A 25 25 GLN H H 25 9.356 9.307 0.049 1
1 199 . 12 1 1 A 25 25 GLN HA H 25 4.747 4.632 0.115 1
1 206 . 12 1 1 A 25 25 GLN C C 25 174.824 174.957 -0.133 1
1 207 . 12 1 1 A 25 25 GLN CA C 25 55.533 55.699 -0.166 1
1 208 . 12 1 1 A 25 25 GLN CB C 25 29.759 29.927 -0.168 1
1 210 . 12 1 1 A 25 25 GLN N N 25 124.019 127.764 -3.745 1
1 212 . 12 1 1 A 26 26 VAL H H 26 9.020 8.322 0.698 1
1 213 . 12 1 1 A 26 26 VAL HA H 26 4.824 4.841 -0.017 1
1 221 . 12 1 1 A 26 26 VAL C C 26 174.556 173.632 0.924 1
1 222 . 12 1 1 A 26 26 VAL CA C 26 60.629 60.087 0.542 1
1 223 . 12 1 1 A 26 26 VAL CB C 26 33.355 35.238 -1.883 1
1 226 . 12 1 1 A 26 26 VAL N N 26 127.649 123.992 3.657 1
1 227 . 12 1 1 A 27 27 SER H H 27 9.056 8.648 0.408 1
1 228 . 12 1 1 A 27 27 SER HA H 27 4.857 4.623 0.234 1
1 231 . 12 1 1 A 27 27 SER C C 27 172.328 172.423 -0.095 1
1 232 . 12 1 1 A 27 27 SER CA C 27 57.138 55.733 1.405 1
1 233 . 12 1 1 A 27 27 SER CB C 27 66.864 65.663 1.201 1
1 234 . 12 1 1 A 27 27 SER N N 27 119.826 121.978 -2.152 1
1 235 . 12 1 1 A 28 28 TRP H H 28 7.584 8.037 -0.453 1
1 236 . 12 1 1 A 28 28 TRP HA H 28 5.022 5.279 -0.257 1
1 245 . 12 1 1 A 28 28 TRP C C 28 174.055 172.800 1.255 1
1 246 . 12 1 1 A 28 28 TRP CA C 28 56.609 55.790 0.819 1
1 247 . 12 1 1 A 28 28 TRP CB C 28 29.814 30.942 -1.128 1
1 253 . 12 1 1 A 28 28 TRP N N 28 115.280 119.863 -4.583 1
1 255 . 12 1 1 A 29 29 THR H H 29 9.293 8.707 0.586 1
1 256 . 12 1 1 A 29 29 THR HA H 29 4.865 4.830 0.035 1
1 261 . 12 1 1 A 29 29 THR C C 29 173.203 173.407 -0.204 1
1 262 . 12 1 1 A 29 29 THR CA C 29 59.889 59.363 0.526 1
1 263 . 12 1 1 A 29 29 THR CB C 29 69.774 70.029 -0.255 1
1 265 . 12 1 1 A 29 29 THR N N 29 117.164 115.387 1.777 1
1 266 . 12 1 1 A 30 30 PRO HA H 30 4.809 4.862 -0.053 1
1 273 . 12 1 1 A 30 30 PRO CA C 30 61.701 61.873 -0.172 1
1 274 . 12 1 1 A 30 30 PRO CB C 30 32.114 32.263 -0.149 1
1 277 . 12 1 1 A 31 31 PRO HA H 31 4.703 4.640 0.063 1
1 284 . 12 1 1 A 31 31 PRO C C 31 175.384 177.108 -1.724 1
1 285 . 12 1 1 A 31 31 PRO CA C 31 61.793 62.498 -0.705 1
1 286 . 12 1 1 A 31 31 PRO CB C 31 32.822 33.337 -0.515 1
1 289 . 12 1 1 A 32 32 LEU H H 32 8.312 8.791 -0.479 1
1 290 . 12 1 1 A 32 32 LEU HA H 32 4.333 4.241 0.092 1
1 300 . 12 1 1 A 32 32 LEU C C 32 177.793 177.752 0.041 1
1 301 . 12 1 1 A 32 32 LEU CA C 32 55.851 57.606 -1.755 1
1 302 . 12 1 1 A 32 32 LEU CB C 32 41.968 41.708 0.260 1
1 306 . 12 1 1 A 32 32 LEU N N 32 119.044 121.087 -2.043 1
1 307 . 12 1 1 A 33 33 GLY H H 33 8.147 7.842 0.305 1
1 308 . 12 1 1 A 33 33 GLY HA2 H 33 4.210 3.982 0.228 1
1 309 . 12 1 1 A 33 33 GLY HA3 H 33 4.051 4.012 0.039 1
1 310 . 12 1 1 A 33 33 GLY C C 33 172.971 174.253 -1.282 1
1 311 . 12 1 1 A 33 33 GLY CA C 33 44.216 45.367 -1.151 1
1 312 . 12 1 1 A 33 33 GLY N N 33 107.917 106.744 1.173 1
1 313 . 12 1 1 A 34 34 ARG H H 34 8.671 8.558 0.113 1
1 314 . 12 1 1 A 34 34 ARG HA H 34 4.405 4.230 0.175 1
1 321 . 12 1 1 A 34 34 ARG C C 34 174.517 176.342 -1.825 1
1 322 . 12 1 1 A 34 34 ARG CA C 34 55.339 56.403 -1.064 1
1 323 . 12 1 1 A 34 34 ARG CB C 34 29.137 30.676 -1.539 1
1 326 . 12 1 1 A 34 34 ARG N N 34 121.152 122.098 -0.946 1
1 327 . 12 1 1 A 35 35 VAL H H 35 7.825 8.458 -0.633 1
1 328 . 12 1 1 A 35 35 VAL HA H 35 3.060 4.160 -1.100 1
1 336 . 12 1 1 A 35 35 VAL C C 35 176.613 175.872 0.741 1
1 337 . 12 1 1 A 35 35 VAL CA C 35 62.505 61.287 1.218 1
1 338 . 12 1 1 A 35 35 VAL CB C 35 32.534 33.616 -1.082 1
1 341 . 12 1 1 A 35 35 VAL N N 35 126.379 122.533 3.846 1
1 342 . 12 1 1 A 36 36 LEU H H 36 8.874 8.242 0.632 1
1 343 . 12 1 1 A 36 36 LEU HA H 36 4.176 3.926 0.250 1
1 353 . 12 1 1 A 36 36 LEU C C 36 177.540 176.826 0.714 1
1 354 . 12 1 1 A 36 36 LEU CA C 36 57.050 58.118 -1.068 1
1 355 . 12 1 1 A 36 36 LEU CB C 36 41.723 41.988 -0.265 1
1 359 . 12 1 1 A 36 36 LEU N N 36 127.956 129.122 -1.166 1
1 360 . 12 1 1 A 37 37 HIS H H 37 7.231 7.244 -0.013 1
1 361 . 12 1 1 A 37 37 HIS HA H 37 4.615 4.744 -0.129 1
1 366 . 12 1 1 A 37 37 HIS C C 37 171.558 171.712 -0.154 1
1 367 . 12 1 1 A 37 37 HIS CA C 37 55.005 54.505 0.500 1
1 368 . 12 1 1 A 37 37 HIS CB C 37 32.039 31.348 0.691 1
1 371 . 12 1 1 A 37 37 HIS N N 37 112.948 111.912 1.036 1
1 372 . 12 1 1 A 38 38 TYR H H 38 9.836 8.998 0.838 1
1 373 . 12 1 1 A 38 38 TYR HA H 38 5.165 5.113 0.052 1
1 378 . 12 1 1 A 38 38 TYR C C 38 174.934 174.902 0.032 1
1 379 . 12 1 1 A 38 38 TYR CA C 38 56.698 56.725 -0.027 1
1 380 . 12 1 1 A 38 38 TYR CB C 38 40.251 39.278 0.973 1
1 385 . 12 1 1 A 38 38 TYR N N 38 116.581 118.821 -2.240 1
1 386 . 12 1 1 A 39 39 TRP H H 39 8.984 8.704 0.280 1
1 387 . 12 1 1 A 39 39 TRP HA H 39 5.307 4.993 0.314 1
1 396 . 12 1 1 A 39 39 TRP C C 39 173.996 174.854 -0.858 1
1 397 . 12 1 1 A 39 39 TRP CA C 39 55.798 56.340 -0.542 1
1 398 . 12 1 1 A 39 39 TRP CB C 39 31.998 29.622 2.376 1
1 404 . 12 1 1 A 39 39 TRP N N 39 124.201 128.039 -3.838 1
1 406 . 12 1 1 A 40 40 LEU H H 40 8.695 8.408 0.287 1
1 407 . 12 1 1 A 40 40 LEU HA H 40 5.636 4.832 0.804 1
1 417 . 12 1 1 A 40 40 LEU C C 40 175.416 174.875 0.541 1
1 418 . 12 1 1 A 40 40 LEU CA C 40 54.030 53.648 0.382 1
1 419 . 12 1 1 A 40 40 LEU CB C 40 44.846 44.591 0.255 1
1 423 . 12 1 1 A 40 40 LEU N N 40 132.690 129.606 3.084 1
1 424 . 12 1 1 A 41 41 THR H H 41 9.103 9.192 -0.089 1
1 425 . 12 1 1 A 41 41 THR HA H 41 5.341 5.148 0.193 1
1 430 . 12 1 1 A 41 41 THR C C 41 173.042 173.374 -0.332 1
1 431 . 12 1 1 A 41 41 THR CA C 41 60.118 59.974 0.144 1
1 432 . 12 1 1 A 41 41 THR CB C 41 71.493 69.649 1.844 1
1 434 . 12 1 1 A 41 41 THR N N 41 117.923 116.534 1.389 1
1 435 . 12 1 1 A 42 42 TYR H H 42 9.073 8.754 0.319 1
1 436 . 12 1 1 A 42 42 TYR HA H 42 5.915 5.428 0.487 1
1 443 . 12 1 1 A 42 42 TYR C C 42 173.637 174.634 -0.997 1
1 444 . 12 1 1 A 42 42 TYR CA C 42 55.146 56.120 -0.974 1
1 445 . 12 1 1 A 42 42 TYR CB C 42 42.124 40.791 1.333 1
1 450 . 12 1 1 A 42 42 TYR N N 42 118.958 122.896 -3.938 1
1 451 . 12 1 1 A 43 43 ALA H H 43 8.508 9.023 -0.515 1
1 452 . 12 1 1 A 43 43 ALA HA H 43 5.099 4.892 0.207 1
1 456 . 12 1 1 A 43 43 ALA C C 43 173.859 174.137 -0.278 1
1 457 . 12 1 1 A 43 43 ALA CA C 43 50.156 50.611 -0.455 1
1 458 . 12 1 1 A 43 43 ALA CB C 43 21.455 22.305 -0.850 1
1 459 . 12 1 1 A 43 43 ALA N N 43 122.386 121.342 1.044 1
1 460 . 12 1 1 A 44 44 PRO HA H 44 4.079 4.168 -0.089 1
1 467 . 12 1 1 A 44 44 PRO C C 44 178.191 177.526 0.665 1
1 468 . 12 1 1 A 44 44 PRO CA C 44 63.194 62.415 0.779 1
1 469 . 12 1 1 A 44 44 PRO CB C 44 31.525 31.204 0.321 1
1 472 . 12 1 1 A 45 45 ALA H H 45 8.934 8.521 0.413 1
1 473 . 12 1 1 A 45 45 ALA HA H 45 3.965 3.960 0.005 1
1 477 . 12 1 1 A 45 45 ALA C C 45 177.272 179.489 -2.217 1
1 478 . 12 1 1 A 45 45 ALA CA C 45 53.911 55.119 -1.208 1
1 479 . 12 1 1 A 45 45 ALA CB C 45 18.221 18.027 0.194 1
1 480 . 12 1 1 A 45 45 ALA N N 45 129.632 128.346 1.286 1
1 481 . 12 1 1 A 46 46 SER H H 46 8.311 7.778 0.533 1
1 482 . 12 1 1 A 46 46 SER HA H 46 4.193 4.141 0.052 1
1 485 . 12 1 1 A 46 46 SER C C 46 175.546 175.263 0.283 1
1 486 . 12 1 1 A 46 46 SER CA C 46 58.584 59.832 -1.248 1
1 487 . 12 1 1 A 46 46 SER CB C 46 63.543 64.387 -0.844 1
1 488 . 12 1 1 A 46 46 SER N N 46 111.878 111.097 0.781 1
1 489 . 12 1 1 A 47 47 GLY H H 47 7.743 8.125 -0.382 1
1 490 . 12 1 1 A 47 47 GLY HA2 H 47 4.203 3.965 0.238 1
1 491 . 12 1 1 A 47 47 GLY HA3 H 47 3.840 3.970 -0.130 1
1 492 . 12 1 1 A 47 47 GLY C C 47 174.463 175.180 -0.717 1
1 493 . 12 1 1 A 47 47 GLY CA C 47 45.501 45.287 0.214 1
1 494 . 12 1 1 A 47 47 GLY N N 47 108.526 109.562 -1.036 1
1 495 . 12 1 1 A 48 48 LEU H H 48 7.794 8.082 -0.288 1
1 496 . 12 1 1 A 48 48 LEU HA H 48 4.448 4.120 0.328 1
1 506 . 12 1 1 A 48 48 LEU C C 48 176.668 177.764 -1.096 1
1 507 . 12 1 1 A 48 48 LEU CA C 48 54.470 58.006 -3.536 1
1 508 . 12 1 1 A 48 48 LEU CB C 48 41.445 41.288 0.157 1
1 512 . 12 1 1 A 48 48 LEU N N 48 120.348 119.812 0.536 1
1 513 . 12 1 1 A 49 49 GLY H H 49 7.889 7.158 0.731 1
1 514 . 12 1 1 A 49 49 GLY HA2 H 49 4.266 4.033 0.233 1
1 515 . 12 1 1 A 49 49 GLY HA3 H 49 3.965 4.047 -0.082 1
1 516 . 12 1 1 A 49 49 GLY C C 49 170.653 173.107 -2.454 1
1 517 . 12 1 1 A 49 49 GLY CA C 49 44.151 44.497 -0.346 1
1 518 . 12 1 1 A 49 49 GLY N N 49 108.892 108.387 0.505 1
1 519 . 12 1 1 A 50 50 PRO HA H 50 4.483 4.529 -0.046 1
1 526 . 12 1 1 A 50 50 PRO C C 50 176.143 175.560 0.583 1
1 527 . 12 1 1 A 50 50 PRO CA C 50 62.639 62.437 0.202 1
1 528 . 12 1 1 A 50 50 PRO CB C 50 32.575 32.974 -0.399 1
1 531 . 12 1 1 A 51 51 GLU H H 51 8.463 8.516 -0.053 1
1 532 . 12 1 1 A 51 51 GLU HA H 51 4.560 4.785 -0.225 1
1 537 . 12 1 1 A 51 51 GLU C C 51 175.792 175.123 0.669 1
1 538 . 12 1 1 A 51 51 GLU CA C 51 55.516 55.355 0.161 1
1 539 . 12 1 1 A 51 51 GLU CB C 51 31.305 33.123 -1.818 1
1 541 . 12 1 1 A 51 51 GLU N N 51 121.175 121.289 -0.114 1
1 542 . 12 1 1 A 52 52 LYS H H 52 8.180 8.149 0.031 1
1 543 . 12 1 1 A 52 52 LYS HA H 52 4.511 4.687 -0.176 1
1 552 . 12 1 1 A 52 52 LYS C C 52 174.000 174.464 -0.464 1
1 553 . 12 1 1 A 52 52 LYS CA C 52 54.952 54.393 0.559 1
1 554 . 12 1 1 A 52 52 LYS CB C 52 36.101 35.675 0.426 1
1 558 . 12 1 1 A 52 52 LYS N N 52 125.598 126.402 -0.804 1
1 559 . 12 1 1 A 53 53 SER H H 53 8.087 8.537 -0.450 1
1 560 . 12 1 1 A 53 53 SER HA H 53 5.637 5.151 0.486 1
1 563 . 12 1 1 A 53 53 SER C C 53 173.704 172.418 1.286 1
1 564 . 12 1 1 A 53 53 SER CA C 53 56.662 56.968 -0.306 1
1 565 . 12 1 1 A 53 53 SER CB C 53 67.219 65.179 2.040 1
1 566 . 12 1 1 A 53 53 SER N N 53 112.778 115.375 -2.597 1
1 567 . 12 1 1 A 54 54 VAL H H 54 8.940 8.793 0.147 1
1 568 . 12 1 1 A 54 54 VAL HA H 54 4.314 4.889 -0.575 1
1 576 . 12 1 1 A 54 54 VAL C C 54 172.304 174.010 -1.706 1
1 577 . 12 1 1 A 54 54 VAL CA C 54 60.506 59.488 1.018 1
1 578 . 12 1 1 A 54 54 VAL CB C 54 36.121 35.549 0.572 1
1 581 . 12 1 1 A 54 54 VAL N N 54 119.961 119.676 0.285 1
1 582 . 12 1 1 A 55 55 SER H H 55 8.180 9.050 -0.870 1
1 583 . 12 1 1 A 55 55 SER HA H 55 5.461 5.041 0.420 1
1 586 . 12 1 1 A 55 55 SER C C 55 174.870 174.472 0.398 1
1 587 . 12 1 1 A 55 55 SER CA C 55 56.065 58.857 -2.792 1
1 588 . 12 1 1 A 55 55 SER CB C 55 64.094 63.866 0.228 1
1 589 . 12 1 1 A 55 55 SER N N 55 117.963 123.520 -5.557 1
1 590 . 12 1 1 A 56 56 VAL H H 56 9.201 8.286 0.915 1
1 591 . 12 1 1 A 56 56 VAL HA H 56 4.780 4.690 0.090 1
1 599 . 12 1 1 A 56 56 VAL C C 56 173.446 173.968 -0.522 1
1 600 . 12 1 1 A 56 56 VAL CA C 56 58.760 59.028 -0.268 1
1 601 . 12 1 1 A 56 56 VAL CB C 56 35.954 36.058 -0.104 1
1 604 . 12 1 1 A 56 56 VAL N N 56 127.863 124.319 3.544 1
1 605 . 12 1 1 A 57 57 PRO HA H 57 4.582 4.622 -0.040 1
1 612 . 12 1 1 A 57 57 PRO C C 57 176.776 178.585 -1.809 1
1 613 . 12 1 1 A 57 57 PRO CA C 57 64.226 63.567 0.659 1
1 614 . 12 1 1 A 57 57 PRO CB C 57 33.063 31.732 1.331 1
1 617 . 12 1 1 A 58 58 GLY H H 58 7.663 8.810 -1.147 1
1 618 . 12 1 1 A 58 58 GLY HA2 H 58 3.684 3.675 0.009 1
1 619 . 12 1 1 A 58 58 GLY HA3 H 58 3.620 3.695 -0.075 1
1 620 . 12 1 1 A 58 58 GLY C C 58 173.755 175.556 -1.801 1
1 621 . 12 1 1 A 58 58 GLY CA C 58 46.877 47.164 -0.287 1
1 622 . 12 1 1 A 58 58 GLY N N 58 106.964 112.993 -6.029 1
1 623 . 12 1 1 A 59 59 ALA H H 59 7.900 8.090 -0.190 1
1 624 . 12 1 1 A 59 59 ALA HA H 59 4.516 4.055 0.461 1
1 628 . 12 1 1 A 59 59 ALA C C 59 178.104 177.672 0.432 1
1 629 . 12 1 1 A 59 59 ALA CA C 59 52.713 55.068 -2.355 1
1 630 . 12 1 1 A 59 59 ALA CB C 59 19.380 18.800 0.580 1
1 631 . 12 1 1 A 59 59 ALA N N 59 119.932 124.166 -4.234 1
1 632 . 12 1 1 A 60 60 ARG H H 60 8.306 8.013 0.293 1
1 633 . 12 1 1 A 60 60 ARG HA H 60 4.559 4.682 -0.123 1
1 640 . 12 1 1 A 60 60 ARG C C 60 174.842 175.439 -0.597 1
1 641 . 12 1 1 A 60 60 ARG CA C 60 55.357 55.151 0.206 1
1 642 . 12 1 1 A 60 60 ARG CB C 60 32.823 31.805 1.018 1
1 645 . 12 1 1 A 60 60 ARG N N 60 118.739 115.910 2.829 1
1 646 . 12 1 1 A 61 61 SER H H 61 8.229 8.710 -0.481 1
1 647 . 12 1 1 A 61 61 SER HA H 61 3.709 4.386 -0.677 1
1 650 . 12 1 1 A 61 61 SER C C 61 170.973 172.844 -1.871 1
1 651 . 12 1 1 A 61 61 SER CA C 61 56.045 56.870 -0.825 1
1 652 . 12 1 1 A 61 61 SER CB C 61 63.329 63.483 -0.154 1
1 653 . 12 1 1 A 61 61 SER N N 61 110.956 115.481 -4.525 1
1 654 . 12 1 1 A 62 62 HIS H H 62 6.458 7.064 -0.606 1
1 655 . 12 1 1 A 62 62 HIS HA H 62 4.626 4.523 0.103 1
1 660 . 12 1 1 A 62 62 HIS C C 62 173.581 173.081 0.500 1
1 661 . 12 1 1 A 62 62 HIS CA C 62 54.494 53.764 0.730 1
1 662 . 12 1 1 A 62 62 HIS CB C 62 32.485 32.661 -0.176 1
1 665 . 12 1 1 A 62 62 HIS N N 62 113.571 116.863 -3.292 1
1 666 . 12 1 1 A 63 63 VAL H H 63 8.794 8.691 0.103 1
1 667 . 12 1 1 A 63 63 VAL HA H 63 4.325 4.672 -0.347 1
1 675 . 12 1 1 A 63 63 VAL C C 63 171.906 173.313 -1.407 1
1 676 . 12 1 1 A 63 63 VAL CA C 63 61.052 60.150 0.902 1
1 677 . 12 1 1 A 63 63 VAL CB C 63 34.800 35.506 -0.706 1
1 680 . 12 1 1 A 63 63 VAL N N 63 118.122 119.390 -1.268 1
1 681 . 12 1 1 A 64 64 THR H H 64 8.316 8.690 -0.374 1
1 682 . 12 1 1 A 64 64 THR HA H 64 4.970 5.026 -0.056 1
1 687 . 12 1 1 A 64 64 THR C C 64 173.412 173.104 0.308 1
1 688 . 12 1 1 A 64 64 THR CA C 64 61.775 61.464 0.311 1
1 689 . 12 1 1 A 64 64 THR CB C 64 69.851 71.002 -1.151 1
1 691 . 12 1 1 A 64 64 THR N N 64 122.871 119.669 3.202 1
1 692 . 12 1 1 A 65 65 LEU H H 65 9.348 8.424 0.924 1
1 693 . 12 1 1 A 65 65 LEU HA H 65 4.584 4.672 -0.088 1
1 703 . 12 1 1 A 65 65 LEU C C 65 173.397 174.868 -1.471 1
1 704 . 12 1 1 A 65 65 LEU CA C 65 50.297 51.071 -0.774 1
1 705 . 12 1 1 A 65 65 LEU CB C 65 41.547 41.938 -0.391 1
1 709 . 12 1 1 A 65 65 LEU N N 65 129.778 127.543 2.235 1
1 710 . 12 1 1 A 66 66 PRO HA H 66 4.868 4.349 0.519 1
1 717 . 12 1 1 A 66 66 PRO C C 66 175.188 176.782 -1.594 1
1 718 . 12 1 1 A 66 66 PRO CA C 66 61.370 62.739 -1.369 1
1 719 . 12 1 1 A 66 66 PRO CB C 66 33.700 32.658 1.042 1
1 722 . 12 1 1 A 67 67 ASP H H 67 8.729 8.955 -0.226 1
1 723 . 12 1 1 A 67 67 ASP HA H 67 4.333 4.222 0.111 1
1 726 . 12 1 1 A 67 67 ASP C C 67 175.824 174.813 1.011 1
1 727 . 12 1 1 A 67 67 ASP CA C 67 55.181 55.014 0.167 1
1 728 . 12 1 1 A 67 67 ASP CB C 67 39.225 39.495 -0.270 1
1 729 . 12 1 1 A 67 67 ASP N N 67 113.984 121.618 -7.634 1
1 730 . 12 1 1 A 68 68 LEU H H 68 8.599 7.578 1.021 1
1 731 . 12 1 1 A 68 68 LEU HA H 68 4.414 4.723 -0.309 1
1 741 . 12 1 1 A 68 68 LEU C C 68 176.487 176.396 0.091 1
1 742 . 12 1 1 A 68 68 LEU CA C 68 53.259 53.179 0.080 1
1 743 . 12 1 1 A 68 68 LEU CB C 68 41.630 43.614 -1.984 1
1 747 . 12 1 1 A 68 68 LEU N N 68 118.102 119.077 -0.975 1
1 748 . 12 1 1 A 69 69 GLN H H 69 8.114 8.639 -0.525 1
1 749 . 12 1 1 A 69 69 GLN HA H 69 4.349 4.810 -0.461 1
1 756 . 12 1 1 A 69 69 GLN C C 69 175.669 174.593 1.076 1
1 757 . 12 1 1 A 69 69 GLN CA C 69 54.722 54.396 0.326 1
1 758 . 12 1 1 A 69 69 GLN CB C 69 30.803 31.498 -0.695 1
1 760 . 12 1 1 A 69 69 GLN N N 69 118.191 119.296 -1.105 1
1 762 . 12 1 1 A 70 70 ALA H H 70 8.240 8.668 -0.428 1
1 763 . 12 1 1 A 70 70 ALA HA H 70 4.835 4.897 -0.062 1
1 767 . 12 1 1 A 70 70 ALA C C 70 178.720 177.293 1.427 1
1 768 . 12 1 1 A 70 70 ALA CA C 70 52.501 50.631 1.870 1
1 769 . 12 1 1 A 70 70 ALA CB C 70 20.257 21.082 -0.825 1
1 770 . 12 1 1 A 70 70 ALA N N 70 124.989 121.585 3.404 1
1 771 . 12 1 1 A 71 71 ALA H H 71 8.003 8.301 -0.298 1
1 772 . 12 1 1 A 71 71 ALA HA H 71 3.974 3.884 0.090 1
1 776 . 12 1 1 A 71 71 ALA C C 71 176.118 175.886 0.232 1
1 777 . 12 1 1 A 71 71 ALA CA C 71 52.491 53.185 -0.694 1
1 778 . 12 1 1 A 71 71 ALA CB C 71 18.439 17.891 0.548 1
1 779 . 12 1 1 A 71 71 ALA N N 71 128.133 122.686 5.447 1
1 780 . 12 1 1 A 72 72 THR H H 72 8.391 8.110 0.281 1
1 781 . 12 1 1 A 72 72 THR HA H 72 4.563 4.757 -0.194 1
1 786 . 12 1 1 A 72 72 THR C C 72 172.643 174.059 -1.416 1
1 787 . 12 1 1 A 72 72 THR CA C 72 62.856 61.860 0.996 1
1 788 . 12 1 1 A 72 72 THR CB C 72 71.924 71.298 0.626 1
1 790 . 12 1 1 A 72 72 THR N N 72 114.280 111.288 2.992 1
1 791 . 12 1 1 A 73 73 LYS H H 73 8.691 8.328 0.363 1
1 792 . 12 1 1 A 73 73 LYS HA H 73 4.846 4.579 0.267 1
1 801 . 12 1 1 A 73 73 LYS C C 73 176.405 175.665 0.740 1
1 802 . 12 1 1 A 73 73 LYS CA C 73 55.992 55.883 0.109 1
1 803 . 12 1 1 A 73 73 LYS CB C 73 33.535 32.907 0.628 1
1 807 . 12 1 1 A 73 73 LYS N N 73 125.989 126.371 -0.382 1
1 808 . 12 1 1 A 74 74 TYR H H 74 9.569 8.654 0.915 1
1 809 . 12 1 1 A 74 74 TYR HA H 74 4.758 5.377 -0.619 1
1 816 . 12 1 1 A 74 74 TYR C C 74 173.567 174.983 -1.416 1
1 817 . 12 1 1 A 74 74 TYR CA C 74 58.778 56.645 2.133 1
1 818 . 12 1 1 A 74 74 TYR CB C 74 42.667 40.926 1.741 1
1 823 . 12 1 1 A 74 74 TYR N N 74 126.436 117.887 8.549 1
1 824 . 12 1 1 A 75 75 ARG H H 75 9.005 8.950 0.055 1
1 825 . 12 1 1 A 75 75 ARG HA H 75 5.053 4.511 0.542 1
1 832 . 12 1 1 A 75 75 ARG C C 75 175.042 174.894 0.148 1
1 833 . 12 1 1 A 75 75 ARG CA C 75 55.027 56.252 -1.225 1
1 834 . 12 1 1 A 75 75 ARG CB C 75 32.284 30.547 1.737 1
1 837 . 12 1 1 A 75 75 ARG N N 75 121.560 126.077 -4.517 1
1 838 . 12 1 1 A 76 76 VAL H H 76 9.127 8.872 0.255 1
1 839 . 12 1 1 A 76 76 VAL HA H 76 4.977 4.443 0.534 1
1 847 . 12 1 1 A 76 76 VAL C C 76 173.144 175.348 -2.204 1
1 848 . 12 1 1 A 76 76 VAL CA C 76 60.876 62.605 -1.729 1
1 849 . 12 1 1 A 76 76 VAL CB C 76 34.922 31.387 3.535 1
1 852 . 12 1 1 A 76 76 VAL N N 76 127.571 126.792 0.779 1
1 853 . 12 1 1 A 77 77 LEU H H 77 9.083 9.313 -0.230 1
1 854 . 12 1 1 A 77 77 LEU HA H 77 5.350 5.508 -0.158 1
1 864 . 12 1 1 A 77 77 LEU C C 77 176.622 175.661 0.961 1
1 865 . 12 1 1 A 77 77 LEU CA C 77 53.911 53.293 0.618 1
1 866 . 12 1 1 A 77 77 LEU CB C 77 44.959 42.413 2.546 1
1 870 . 12 1 1 A 77 77 LEU N N 77 127.310 129.251 -1.941 1
1 871 . 12 1 1 A 78 78 VAL H H 78 8.918 8.705 0.213 1
1 872 . 12 1 1 A 78 78 VAL HA H 78 4.890 4.743 0.147 1
1 880 . 12 1 1 A 78 78 VAL C C 78 174.235 175.122 -0.887 1
1 881 . 12 1 1 A 78 78 VAL CA C 78 61.193 60.885 0.308 1
1 882 . 12 1 1 A 78 78 VAL CB C 78 34.718 33.253 1.465 1
1 885 . 12 1 1 A 78 78 VAL N N 78 119.228 126.415 -7.187 1
1 886 . 12 1 1 A 79 79 SER H H 79 8.598 8.259 0.339 1
1 887 . 12 1 1 A 79 79 SER HA H 79 4.725 4.993 -0.268 1
1 890 . 12 1 1 A 79 79 SER C C 79 172.877 173.107 -0.230 1
1 891 . 12 1 1 A 79 79 SER CA C 79 56.680 57.577 -0.897 1
1 892 . 12 1 1 A 79 79 SER CB C 79 65.806 66.232 -0.426 1
1 893 . 12 1 1 A 79 79 SER N N 79 119.664 121.792 -2.128 1
1 894 . 12 1 1 A 80 80 ALA H H 80 8.939 8.127 0.812 1
1 895 . 12 1 1 A 80 80 ALA HA H 80 4.325 4.640 -0.315 1
1 899 . 12 1 1 A 80 80 ALA C C 80 174.050 176.680 -2.630 1
1 900 . 12 1 1 A 80 80 ALA CA C 80 51.126 51.625 -0.499 1
1 901 . 12 1 1 A 80 80 ALA CB C 80 21.990 19.524 2.466 1
1 902 . 12 1 1 A 80 80 ALA N N 80 126.283 128.013 -1.730 1
1 903 . 12 1 1 A 81 81 ILE H H 81 8.424 8.323 0.101 1
1 904 . 12 1 1 A 81 81 ILE HA H 81 4.116 4.631 -0.515 1
1 914 . 12 1 1 A 81 81 ILE C C 81 173.862 174.184 -0.322 1
1 915 . 12 1 1 A 81 81 ILE CA C 81 61.175 60.322 0.853 1
1 916 . 12 1 1 A 81 81 ILE CB C 81 36.015 38.896 -2.881 1
1 920 . 12 1 1 A 81 81 ILE N N 81 123.033 122.770 0.263 1
1 921 . 12 1 1 A 82 82 TYR H H 82 8.377 8.407 -0.030 1
1 922 . 12 1 1 A 82 82 TYR HA H 82 4.681 4.878 -0.197 1
1 929 . 12 1 1 A 82 82 TYR C C 82 176.146 176.037 0.109 1
1 930 . 12 1 1 A 82 82 TYR CA C 82 56.309 56.836 -0.527 1
1 931 . 12 1 1 A 82 82 TYR CB C 82 40.734 42.816 -2.082 1
1 936 . 12 1 1 A 82 82 TYR N N 82 125.168 125.067 0.101 1
1 937 . 12 1 1 A 83 83 ALA H H 83 9.437 9.052 0.385 1
1 938 . 12 1 1 A 83 83 ALA HA H 83 4.059 4.113 -0.054 1
1 942 . 12 1 1 A 83 83 ALA C C 83 179.312 179.973 -0.661 1
1 943 . 12 1 1 A 83 83 ALA CA C 83 55.729 55.542 0.187 1
1 944 . 12 1 1 A 83 83 ALA CB C 83 17.613 18.020 -0.407 1
1 945 . 12 1 1 A 83 83 ALA N N 83 125.234 124.387 0.847 1
1 946 . 12 1 1 A 84 84 ALA H H 84 7.823 7.822 0.001 1
1 947 . 12 1 1 A 84 84 ALA HA H 84 4.434 4.175 0.259 1
1 951 . 12 1 1 A 84 84 ALA C C 84 176.808 177.554 -0.746 1
1 952 . 12 1 1 A 84 84 ALA CA C 84 51.936 53.925 -1.989 1
1 953 . 12 1 1 A 84 84 ALA CB C 84 19.514 19.921 -0.407 1
1 954 . 12 1 1 A 84 84 ALA N N 84 114.587 119.818 -5.231 1
1 955 . 12 1 1 A 85 85 GLY H H 85 7.366 7.407 -0.041 1
1 956 . 12 1 1 A 85 85 GLY HA2 H 85 4.362 4.075 0.287 1
1 957 . 12 1 1 A 85 85 GLY HA3 H 85 3.835 4.088 -0.253 1
1 958 . 12 1 1 A 85 85 GLY C C 85 171.544 171.722 -0.178 1
1 959 . 12 1 1 A 85 85 GLY CA C 85 44.576 45.841 -1.265 1
1 960 . 12 1 1 A 85 85 GLY N N 85 105.342 102.163 3.179 1
1 961 . 12 1 1 A 86 86 ARG H H 86 8.626 8.573 0.053 1
1 962 . 12 1 1 A 86 86 ARG HA H 86 5.263 5.241 0.022 1
1 969 . 12 1 1 A 86 86 ARG C C 86 176.925 176.171 0.754 1
1 970 . 12 1 1 A 86 86 ARG CA C 86 54.863 55.345 -0.482 1
1 971 . 12 1 1 A 86 86 ARG CB C 86 33.491 31.955 1.536 1
1 974 . 12 1 1 A 86 86 ARG N N 86 118.147 117.181 0.966 1
1 975 . 12 1 1 A 87 87 SER H H 87 9.496 9.072 0.424 1
1 976 . 12 1 1 A 87 87 SER HA H 87 4.747 4.746 0.001 1
1 979 . 12 1 1 A 87 87 SER C C 87 174.538 174.666 -0.128 1
1 980 . 12 1 1 A 87 87 SER CA C 87 58.284 57.671 0.613 1
1 981 . 12 1 1 A 87 87 SER CB C 87 67.271 65.778 1.493 1
1 982 . 12 1 1 A 87 87 SER N N 87 119.835 114.276 5.559 1
1 983 . 12 1 1 A 88 88 GLU H H 88 9.058 8.577 0.481 1
1 984 . 12 1 1 A 88 88 GLU HA H 88 4.342 4.219 0.123 1
1 989 . 12 1 1 A 88 88 GLU C C 88 176.157 175.950 0.207 1
1 990 . 12 1 1 A 88 88 GLU CA C 88 56.874 56.528 0.346 1
1 991 . 12 1 1 A 88 88 GLU CB C 88 30.350 30.001 0.349 1
1 993 . 12 1 1 A 88 88 GLU N N 88 119.700 119.989 -0.289 1
1 994 . 12 1 1 A 89 89 ALA H H 89 8.674 8.600 0.074 1
1 995 . 12 1 1 A 89 89 ALA HA H 89 4.918 5.571 -0.653 1
1 999 . 12 1 1 A 89 89 ALA C C 89 178.887 176.628 2.259 1
1 1000 . 12 1 1 A 89 89 ALA CA C 89 51.340 50.202 1.138 1
1 1001 . 12 1 1 A 89 89 ALA CB C 89 20.130 21.082 -0.952 1
1 1002 . 12 1 1 A 89 89 ALA N N 89 125.485 123.809 1.676 1
1 1003 . 12 1 1 A 90 90 VAL H H 90 8.621 9.021 -0.400 1
1 1004 . 12 1 1 A 90 90 VAL HA H 90 4.562 4.879 -0.317 1
1 1012 . 12 1 1 A 90 90 VAL C C 90 174.251 175.463 -1.212 1
1 1013 . 12 1 1 A 90 90 VAL CA C 90 60.365 60.483 -0.118 1
1 1014 . 12 1 1 A 90 90 VAL CB C 90 33.770 33.514 0.256 1
1 1017 . 12 1 1 A 90 90 VAL N N 90 119.440 118.571 0.869 1
1 1018 . 12 1 1 A 91 91 SER H H 91 8.373 8.877 -0.504 1
1 1019 . 12 1 1 A 91 91 SER HA H 91 5.877 4.937 0.940 1
1 1022 . 12 1 1 A 91 91 SER C C 91 174.245 173.850 0.395 1
1 1023 . 12 1 1 A 91 91 SER CA C 91 56.109 57.080 -0.971 1
1 1024 . 12 1 1 A 91 91 SER CB C 91 67.620 64.890 2.730 1
1 1025 . 12 1 1 A 91 91 SER N N 91 116.084 121.695 -5.611 1
1 1026 . 12 1 1 A 92 92 ALA H H 92 8.900 8.816 0.084 1
1 1027 . 12 1 1 A 92 92 ALA HA H 92 4.681 4.911 -0.230 1
1 1031 . 12 1 1 A 92 92 ALA C C 92 175.187 175.977 -0.790 1
1 1032 . 12 1 1 A 92 92 ALA CA C 92 51.990 51.962 0.028 1
1 1033 . 12 1 1 A 92 92 ALA CB C 92 23.056 22.485 0.571 1
1 1034 . 12 1 1 A 92 92 ALA N N 92 123.885 122.022 1.863 1
1 1035 . 12 1 1 A 93 93 THR H H 93 8.466 8.717 -0.251 1
1 1036 . 12 1 1 A 93 93 THR HA H 93 5.623 5.186 0.437 1
1 1041 . 12 1 1 A 93 93 THR C C 93 174.366 174.244 0.122 1
1 1042 . 12 1 1 A 93 93 THR CA C 93 60.154 60.656 -0.502 1
1 1043 . 12 1 1 A 93 93 THR CB C 93 71.657 70.277 1.380 1
1 1045 . 12 1 1 A 93 93 THR N N 93 112.591 115.247 -2.656 1
1 1046 . 12 1 1 A 94 94 GLY H H 94 8.657 8.892 -0.235 1
1 1047 . 12 1 1 A 94 94 GLY HA2 H 94 4.483 4.218 0.265 1
1 1048 . 12 1 1 A 94 94 GLY HA3 H 94 3.625 4.230 -0.605 1
1 1049 . 12 1 1 A 94 94 GLY C C 94 170.518 173.675 -3.157 1
1 1050 . 12 1 1 A 94 94 GLY CA C 94 44.849 45.196 -0.347 1
1 1051 . 12 1 1 A 94 94 GLY N N 94 111.375 111.218 0.157 1
1 1052 . 12 1 1 A 95 95 GLN H H 95 8.667 8.733 -0.066 1
1 1053 . 12 1 1 A 95 95 GLN HA H 95 5.491 4.240 1.251 1
1 1060 . 12 1 1 A 95 95 GLN C C 95 176.226 175.290 0.936 1
1 1061 . 12 1 1 A 95 95 GLN CA C 95 54.000 56.668 -2.668 1
1 1062 . 12 1 1 A 95 95 GLN CB C 95 32.822 29.488 3.334 1
1 1064 . 12 1 1 A 95 95 GLN N N 95 120.893 126.496 -5.603 1
1 1066 . 12 1 1 A 96 96 THR H H 96 8.609 8.494 0.115 1
1 1067 . 12 1 1 A 96 96 THR HA H 96 4.384 4.746 -0.362 1
1 1072 . 12 1 1 A 96 96 THR C C 96 175.194 174.356 0.838 1
1 1073 . 12 1 1 A 96 96 THR CA C 96 60.783 61.529 -0.746 1
1 1074 . 12 1 1 A 96 96 THR CB C 96 70.198 71.152 -0.954 1
1 1076 . 12 1 1 A 96 96 THR N N 96 115.777 116.292 -0.515 1
1 1077 . 12 1 1 A 97 97 ALA H H 97 8.009 8.242 -0.233 1
1 1078 . 12 1 1 A 97 97 ALA HA H 97 4.186 4.473 -0.287 1
1 1082 . 12 1 1 A 97 97 ALA C C 97 176.174 177.416 -1.242 1
1 1083 . 12 1 1 A 97 97 ALA CA C 97 52.077 51.391 0.686 1
1 1084 . 12 1 1 A 97 97 ALA CB C 97 19.001 20.194 -1.193 1
1 1085 . 12 1 1 A 97 97 ALA N N 97 120.015 122.770 -2.755 1
1 1086 . 12 1 1 A 98 98 CYS H H 98 8.239 8.423 -0.184 1
1 1087 . 12 1 1 A 98 98 CYS HA H 98 4.705 5.108 -0.403 1
1 1090 . 12 1 1 A 98 98 CYS C C 98 173.203 174.783 -1.580 1
1 1091 . 12 1 1 A 98 98 CYS CA C 98 56.644 56.266 0.378 1
1 1092 . 12 1 1 A 98 98 CYS CB C 98 27.357 29.399 -2.042 1
1 1093 . 12 1 1 A 98 98 CYS N N 98 116.874 117.087 -0.213 1
1 1094 . 12 1 1 A 99 99 PRO HA H 99 4.421 4.436 -0.015 1
1 1101 . 12 1 1 A 99 99 PRO CA C 99 63.337 64.100 -0.763 1
1 1102 . 12 1 1 A 99 99 PRO CB C 99 32.132 31.916 0.216 1
1 1105 . 12 1 1 A 100 100 SER H H 100 8.463 7.737 0.726 1
1 1106 . 12 1 1 A 100 100 SER HA H 100 4.470 4.428 0.042 1
1 1109 . 12 1 1 A 100 100 SER CA C 100 58.453 58.646 -0.193 1
1 1110 . 12 1 1 A 100 100 SER CB C 100 64.023 63.824 0.199 1
1 1111 . 12 1 1 A 100 100 SER N N 100 116.426 115.499 0.927 1
1 1112 . 12 1 1 A 101 101 GLY H H 101 8.237 8.400 -0.163 1
1 1113 . 12 1 1 A 101 101 GLY HA2 H 101 4.165 4.111 0.054 1
1 1114 . 12 1 1 A 101 101 GLY HA3 H 101 4.100 4.111 -0.011 1
1 1115 . 12 1 1 A 101 101 GLY CA C 101 44.647 44.109 0.538 1
1 1116 . 12 1 1 A 101 101 GLY N N 101 110.731 112.277 -1.546 1
1 1117 . 12 1 1 A 102 102 PRO HA H 102 4.484 4.447 0.037 1
1 1123 . 12 1 1 A 102 102 PRO CA C 102 63.069 62.489 0.580 1
1 1124 . 12 1 1 A 102 102 PRO CB C 102 32.189 32.789 -0.600 1
1 1127 . 12 1 1 A 103 103 SER H H 103 8.540 8.766 -0.226 1
1 1 . 13 1 1 A 5 5 SER N N 5 119.122 113.987 5.135 1
1 2 . 13 1 1 A 6 6 SER N N 6 123.945 115.207 8.738 1
1 3 . 13 1 1 A 7 7 GLY HA2 H 7 3.813 3.797 0.016 1
1 4 . 13 1 1 A 7 7 GLY HA3 H 7 3.813 3.836 -0.023 1
1 5 . 13 1 1 A 7 7 GLY CA C 7 45.375 45.275 0.100 1
1 6 . 13 1 1 A 8 8 ARG H H 8 7.999 7.689 0.310 1
1 7 . 13 1 1 A 8 8 ARG HA H 8 3.712 3.628 0.084 1
1 14 . 13 1 1 A 8 8 ARG CA C 8 54.185 56.142 -1.957 1
1 15 . 13 1 1 A 8 8 ARG CB C 8 29.555 31.405 -1.850 1
1 18 . 13 1 1 A 8 8 ARG N N 8 121.209 121.351 -0.142 1
1 19 . 13 1 1 A 9 9 SER H H 9 7.810 8.716 -0.906 1
1 20 . 13 1 1 A 9 9 SER HA H 9 4.725 4.936 -0.211 1
1 23 . 13 1 1 A 9 9 SER CA C 9 58.455 55.287 3.168 1
1 24 . 13 1 1 A 9 9 SER CB C 9 62.966 65.350 -2.384 1
1 25 . 13 1 1 A 9 9 SER N N 9 118.072 119.395 -1.323 1
1 26 . 13 1 1 A 10 10 PRO HA H 10 5.182 4.812 0.370 1
1 33 . 13 1 1 A 10 10 PRO CA C 10 61.759 61.373 0.386 1
1 34 . 13 1 1 A 10 10 PRO CB C 10 30.280 31.680 -1.400 1
1 37 . 13 1 1 A 11 11 PRO HA H 11 4.567 4.616 -0.049 1
1 44 . 13 1 1 A 11 11 PRO C C 11 173.556 176.228 -2.672 1
1 45 . 13 1 1 A 11 11 PRO CA C 11 62.674 62.679 -0.005 1
1 46 . 13 1 1 A 11 11 PRO CB C 11 33.026 31.622 1.404 1
1 49 . 13 1 1 A 12 12 SER H H 12 8.427 8.009 0.418 1
1 50 . 13 1 1 A 12 12 SER HA H 12 4.890 4.934 -0.044 1
1 53 . 13 1 1 A 12 12 SER C C 12 173.115 173.915 -0.800 1
1 54 . 13 1 1 A 12 12 SER CA C 12 56.556 57.218 -0.662 1
1 55 . 13 1 1 A 12 12 SER CB C 12 66.882 65.459 1.423 1
1 56 . 13 1 1 A 12 12 SER N N 12 111.345 118.594 -7.249 1
1 57 . 13 1 1 A 13 13 ASN H H 13 8.973 8.790 0.183 1
1 58 . 13 1 1 A 13 13 ASN HA H 13 4.318 4.262 0.056 1
1 63 . 13 1 1 A 13 13 ASN C C 13 173.850 174.696 -0.846 1
1 64 . 13 1 1 A 13 13 ASN CA C 13 53.928 54.135 -0.207 1
1 65 . 13 1 1 A 13 13 ASN CB C 13 37.365 36.958 0.407 1
1 66 . 13 1 1 A 13 13 ASN N N 13 115.970 116.790 -0.820 1
1 68 . 13 1 1 A 14 14 LEU H H 14 8.223 8.181 0.042 1
1 69 . 13 1 1 A 14 14 LEU HA H 14 4.857 4.391 0.466 1
1 79 . 13 1 1 A 14 14 LEU C C 14 176.725 177.155 -0.430 1
1 80 . 13 1 1 A 14 14 LEU CA C 14 56.115 56.262 -0.147 1
1 81 . 13 1 1 A 14 14 LEU CB C 14 42.621 42.049 0.572 1
1 85 . 13 1 1 A 14 14 LEU N N 14 119.681 119.846 -0.165 1
1 86 . 13 1 1 A 15 15 ALA H H 15 9.364 8.403 0.961 1
1 87 . 13 1 1 A 15 15 ALA HA H 15 4.736 5.148 -0.412 1
1 91 . 13 1 1 A 15 15 ALA C C 15 175.056 175.426 -0.370 1
1 92 . 13 1 1 A 15 15 ALA CA C 15 51.496 51.204 0.292 1
1 93 . 13 1 1 A 15 15 ALA CB C 15 22.285 21.243 1.042 1
1 94 . 13 1 1 A 15 15 ALA N N 15 130.359 125.667 4.692 1
1 95 . 13 1 1 A 16 16 LEU H H 16 8.448 9.268 -0.820 1
1 96 . 13 1 1 A 16 16 LEU HA H 16 5.385 4.973 0.412 1
1 106 . 13 1 1 A 16 16 LEU C C 16 175.868 175.914 -0.046 1
1 107 . 13 1 1 A 16 16 LEU CA C 16 53.224 53.952 -0.728 1
1 108 . 13 1 1 A 16 16 LEU CB C 16 45.061 42.084 2.977 1
1 112 . 13 1 1 A 16 16 LEU N N 16 120.470 124.128 -3.658 1
1 113 . 13 1 1 A 17 17 ALA H H 17 8.737 9.415 -0.678 1
1 114 . 13 1 1 A 17 17 ALA HA H 17 4.620 5.297 -0.677 1
1 118 . 13 1 1 A 17 17 ALA C C 17 175.371 175.129 0.242 1
1 119 . 13 1 1 A 17 17 ALA CA C 17 51.249 50.249 1.000 1
1 120 . 13 1 1 A 17 17 ALA CB C 17 22.570 21.299 1.271 1
1 121 . 13 1 1 A 17 17 ALA N N 17 124.938 128.561 -3.623 1
1 122 . 13 1 1 A 18 18 SER H H 18 8.675 8.874 -0.199 1
1 123 . 13 1 1 A 18 18 SER HA H 18 5.021 4.626 0.395 1
1 126 . 13 1 1 A 18 18 SER C C 18 174.678 173.541 1.137 1
1 127 . 13 1 1 A 18 18 SER CA C 18 57.244 56.702 0.542 1
1 128 . 13 1 1 A 18 18 SER CB C 18 64.200 64.187 0.013 1
1 129 . 13 1 1 A 18 18 SER N N 18 113.933 118.535 -4.602 1
1 130 . 13 1 1 A 19 19 GLU H H 19 9.743 8.844 0.899 1
1 131 . 13 1 1 A 19 19 GLU HA H 19 4.466 4.591 -0.125 1
1 136 . 13 1 1 A 19 19 GLU C C 19 176.368 176.327 0.041 1
1 137 . 13 1 1 A 19 19 GLU CA C 19 56.295 57.445 -1.150 1
1 138 . 13 1 1 A 19 19 GLU CB C 19 31.532 32.010 -0.478 1
1 140 . 13 1 1 A 19 19 GLU N N 19 127.234 125.934 1.300 1
1 141 . 13 1 1 A 20 20 THR H H 20 7.759 7.668 0.091 1
1 142 . 13 1 1 A 20 20 THR HA H 20 4.935 4.703 0.232 1
1 147 . 13 1 1 A 20 20 THR C C 20 171.770 173.824 -2.054 1
1 148 . 13 1 1 A 20 20 THR CA C 20 58.337 58.314 0.023 1
1 149 . 13 1 1 A 20 20 THR CB C 20 69.869 71.801 -1.932 1
1 151 . 13 1 1 A 20 20 THR N N 20 109.600 111.389 -1.789 1
1 152 . 13 1 1 A 21 21 PRO HA H 21 4.587 4.513 0.074 1
1 159 . 13 1 1 A 21 21 PRO C C 21 173.647 176.457 -2.810 1
1 160 . 13 1 1 A 21 21 PRO CA C 21 64.332 64.117 0.215 1
1 161 . 13 1 1 A 21 21 PRO CB C 21 32.380 31.609 0.771 1
1 164 . 13 1 1 A 22 22 ASP H H 22 7.420 8.387 -0.967 1
1 165 . 13 1 1 A 22 22 ASP HA H 22 4.648 5.009 -0.361 1
1 168 . 13 1 1 A 22 22 ASP C C 22 175.838 175.532 0.306 1
1 169 . 13 1 1 A 22 22 ASP CA C 22 51.037 54.166 -3.129 1
1 170 . 13 1 1 A 22 22 ASP CB C 22 42.177 42.423 -0.246 1
1 171 . 13 1 1 A 22 22 ASP N N 22 107.201 117.589 -10.388 1
1 172 . 13 1 1 A 23 23 SER H H 23 7.729 7.614 0.115 1
1 173 . 13 1 1 A 23 23 SER HA H 23 5.474 5.056 0.418 1
1 176 . 13 1 1 A 23 23 SER C C 23 171.887 172.293 -0.406 1
1 177 . 13 1 1 A 23 23 SER CA C 23 57.481 57.535 -0.054 1
1 178 . 13 1 1 A 23 23 SER CB C 23 68.168 67.255 0.913 1
1 179 . 13 1 1 A 23 23 SER N N 23 112.046 113.737 -1.691 1
1 180 . 13 1 1 A 24 24 LEU H H 24 7.884 8.174 -0.290 1
1 181 . 13 1 1 A 24 24 LEU HA H 24 4.769 4.783 -0.014 1
1 191 . 13 1 1 A 24 24 LEU C C 24 174.542 174.359 0.183 1
1 192 . 13 1 1 A 24 24 LEU CA C 24 53.576 54.108 -0.532 1
1 193 . 13 1 1 A 24 24 LEU CB C 24 47.616 45.551 2.065 1
1 197 . 13 1 1 A 24 24 LEU N N 24 119.324 123.709 -4.385 1
1 198 . 13 1 1 A 25 25 GLN H H 25 9.356 9.201 0.155 1
1 199 . 13 1 1 A 25 25 GLN HA H 25 4.747 4.498 0.249 1
1 206 . 13 1 1 A 25 25 GLN C C 25 174.824 174.964 -0.140 1
1 207 . 13 1 1 A 25 25 GLN CA C 25 55.533 56.065 -0.532 1
1 208 . 13 1 1 A 25 25 GLN CB C 25 29.759 29.842 -0.083 1
1 210 . 13 1 1 A 25 25 GLN N N 25 124.019 127.617 -3.598 1
1 212 . 13 1 1 A 26 26 VAL H H 26 9.020 8.141 0.879 1
1 213 . 13 1 1 A 26 26 VAL HA H 26 4.824 4.798 0.026 1
1 221 . 13 1 1 A 26 26 VAL C C 26 174.556 173.683 0.873 1
1 222 . 13 1 1 A 26 26 VAL CA C 26 60.629 60.348 0.281 1
1 223 . 13 1 1 A 26 26 VAL CB C 26 33.355 35.239 -1.884 1
1 226 . 13 1 1 A 26 26 VAL N N 26 127.649 123.668 3.981 1
1 227 . 13 1 1 A 27 27 SER H H 27 9.056 8.761 0.295 1
1 228 . 13 1 1 A 27 27 SER HA H 27 4.857 5.003 -0.146 1
1 231 . 13 1 1 A 27 27 SER C C 27 172.328 173.367 -1.039 1
1 232 . 13 1 1 A 27 27 SER CA C 27 57.138 55.731 1.407 1
1 233 . 13 1 1 A 27 27 SER CB C 27 66.864 66.078 0.786 1
1 234 . 13 1 1 A 27 27 SER N N 27 119.826 122.739 -2.913 1
1 235 . 13 1 1 A 28 28 TRP H H 28 7.584 8.285 -0.701 1
1 236 . 13 1 1 A 28 28 TRP HA H 28 5.022 5.264 -0.242 1
1 245 . 13 1 1 A 28 28 TRP C C 28 174.055 172.888 1.167 1
1 246 . 13 1 1 A 28 28 TRP CA C 28 56.609 55.738 0.871 1
1 247 . 13 1 1 A 28 28 TRP CB C 28 29.814 30.753 -0.939 1
1 253 . 13 1 1 A 28 28 TRP N N 28 115.280 117.788 -2.508 1
1 255 . 13 1 1 A 29 29 THR H H 29 9.293 8.994 0.299 1
1 256 . 13 1 1 A 29 29 THR HA H 29 4.865 4.811 0.054 1
1 261 . 13 1 1 A 29 29 THR C C 29 173.203 173.589 -0.386 1
1 262 . 13 1 1 A 29 29 THR CA C 29 59.889 59.418 0.471 1
1 263 . 13 1 1 A 29 29 THR CB C 29 69.774 69.755 0.019 1
1 265 . 13 1 1 A 29 29 THR N N 29 117.164 115.876 1.288 1
1 266 . 13 1 1 A 30 30 PRO HA H 30 4.809 4.787 0.022 1
1 273 . 13 1 1 A 30 30 PRO CA C 30 61.701 61.754 -0.053 1
1 274 . 13 1 1 A 30 30 PRO CB C 30 32.114 32.041 0.073 1
1 277 . 13 1 1 A 31 31 PRO HA H 31 4.703 4.689 0.014 1
1 284 . 13 1 1 A 31 31 PRO C C 31 175.384 176.682 -1.298 1
1 285 . 13 1 1 A 31 31 PRO CA C 31 61.793 62.444 -0.651 1
1 286 . 13 1 1 A 31 31 PRO CB C 31 32.822 33.482 -0.660 1
1 289 . 13 1 1 A 32 32 LEU H H 32 8.312 8.714 -0.402 1
1 290 . 13 1 1 A 32 32 LEU HA H 32 4.333 4.465 -0.132 1
1 300 . 13 1 1 A 32 32 LEU C C 32 177.793 178.291 -0.498 1
1 301 . 13 1 1 A 32 32 LEU CA C 32 55.851 57.180 -1.329 1
1 302 . 13 1 1 A 32 32 LEU CB C 32 41.968 43.008 -1.040 1
1 306 . 13 1 1 A 32 32 LEU N N 32 119.044 120.587 -1.543 1
1 307 . 13 1 1 A 33 33 GLY H H 33 8.147 7.908 0.239 1
1 308 . 13 1 1 A 33 33 GLY HA2 H 33 4.210 4.051 0.159 1
1 309 . 13 1 1 A 33 33 GLY HA3 H 33 4.051 4.075 -0.024 1
1 310 . 13 1 1 A 33 33 GLY C C 33 172.971 173.356 -0.385 1
1 311 . 13 1 1 A 33 33 GLY CA C 33 44.216 45.611 -1.395 1
1 312 . 13 1 1 A 33 33 GLY N N 33 107.917 107.195 0.722 1
1 313 . 13 1 1 A 34 34 ARG H H 34 8.671 8.462 0.209 1
1 314 . 13 1 1 A 34 34 ARG HA H 34 4.405 4.455 -0.050 1
1 321 . 13 1 1 A 34 34 ARG C C 34 174.517 175.527 -1.010 1
1 322 . 13 1 1 A 34 34 ARG CA C 34 55.339 56.565 -1.226 1
1 323 . 13 1 1 A 34 34 ARG CB C 34 29.137 30.840 -1.703 1
1 326 . 13 1 1 A 34 34 ARG N N 34 121.152 123.239 -2.087 1
1 327 . 13 1 1 A 35 35 VAL H H 35 7.825 8.174 -0.349 1
1 328 . 13 1 1 A 35 35 VAL HA H 35 3.060 4.484 -1.424 1
1 336 . 13 1 1 A 35 35 VAL C C 35 176.613 175.537 1.076 1
1 337 . 13 1 1 A 35 35 VAL CA C 35 62.505 60.693 1.812 1
1 338 . 13 1 1 A 35 35 VAL CB C 35 32.534 32.461 0.073 1
1 341 . 13 1 1 A 35 35 VAL N N 35 126.379 127.904 -1.525 1
1 342 . 13 1 1 A 36 36 LEU H H 36 8.874 8.157 0.717 1
1 343 . 13 1 1 A 36 36 LEU HA H 36 4.176 3.988 0.188 1
1 353 . 13 1 1 A 36 36 LEU C C 36 177.540 176.857 0.683 1
1 354 . 13 1 1 A 36 36 LEU CA C 36 57.050 58.207 -1.157 1
1 355 . 13 1 1 A 36 36 LEU CB C 36 41.723 42.156 -0.433 1
1 359 . 13 1 1 A 36 36 LEU N N 36 127.956 131.584 -3.628 1
1 360 . 13 1 1 A 37 37 HIS H H 37 7.231 7.499 -0.268 1
1 361 . 13 1 1 A 37 37 HIS HA H 37 4.615 4.943 -0.328 1
1 366 . 13 1 1 A 37 37 HIS C C 37 171.558 171.882 -0.324 1
1 367 . 13 1 1 A 37 37 HIS CA C 37 55.005 53.449 1.556 1
1 368 . 13 1 1 A 37 37 HIS CB C 37 32.039 33.034 -0.995 1
1 371 . 13 1 1 A 37 37 HIS N N 37 112.948 112.805 0.143 1
1 372 . 13 1 1 A 38 38 TYR H H 38 9.836 9.031 0.805 1
1 373 . 13 1 1 A 38 38 TYR HA H 38 5.165 4.930 0.235 1
1 378 . 13 1 1 A 38 38 TYR C C 38 174.934 174.953 -0.019 1
1 379 . 13 1 1 A 38 38 TYR CA C 38 56.698 56.699 -0.001 1
1 380 . 13 1 1 A 38 38 TYR CB C 38 40.251 39.094 1.157 1
1 385 . 13 1 1 A 38 38 TYR N N 38 116.581 116.802 -0.221 1
1 386 . 13 1 1 A 39 39 TRP H H 39 8.984 8.610 0.374 1
1 387 . 13 1 1 A 39 39 TRP HA H 39 5.307 4.822 0.485 1
1 396 . 13 1 1 A 39 39 TRP C C 39 173.996 175.213 -1.217 1
1 397 . 13 1 1 A 39 39 TRP CA C 39 55.798 57.819 -2.021 1
1 398 . 13 1 1 A 39 39 TRP CB C 39 31.998 29.448 2.550 1
1 404 . 13 1 1 A 39 39 TRP N N 39 124.201 128.386 -4.185 1
1 406 . 13 1 1 A 40 40 LEU H H 40 8.695 8.607 0.088 1
1 407 . 13 1 1 A 40 40 LEU HA H 40 5.636 4.907 0.729 1
1 417 . 13 1 1 A 40 40 LEU C C 40 175.416 174.800 0.616 1
1 418 . 13 1 1 A 40 40 LEU CA C 40 54.030 53.706 0.324 1
1 419 . 13 1 1 A 40 40 LEU CB C 40 44.846 44.410 0.436 1
1 423 . 13 1 1 A 40 40 LEU N N 40 132.690 129.755 2.935 1
1 424 . 13 1 1 A 41 41 THR H H 41 9.103 8.345 0.758 1
1 425 . 13 1 1 A 41 41 THR HA H 41 5.341 4.871 0.470 1
1 430 . 13 1 1 A 41 41 THR C C 41 173.042 172.437 0.605 1
1 431 . 13 1 1 A 41 41 THR CA C 41 60.118 60.918 -0.800 1
1 432 . 13 1 1 A 41 41 THR CB C 41 71.493 71.006 0.487 1
1 434 . 13 1 1 A 41 41 THR N N 41 117.923 113.614 4.309 1
1 435 . 13 1 1 A 42 42 TYR H H 42 9.073 8.554 0.519 1
1 436 . 13 1 1 A 42 42 TYR HA H 42 5.915 6.061 -0.146 1
1 443 . 13 1 1 A 42 42 TYR C C 42 173.637 174.135 -0.498 1
1 444 . 13 1 1 A 42 42 TYR CA C 42 55.146 55.154 -0.008 1
1 445 . 13 1 1 A 42 42 TYR CB C 42 42.124 42.130 -0.006 1
1 450 . 13 1 1 A 42 42 TYR N N 42 118.958 121.415 -2.457 1
1 451 . 13 1 1 A 43 43 ALA H H 43 8.508 8.849 -0.341 1
1 452 . 13 1 1 A 43 43 ALA HA H 43 5.099 4.588 0.511 1
1 456 . 13 1 1 A 43 43 ALA C C 43 173.859 176.836 -2.977 1
1 457 . 13 1 1 A 43 43 ALA CA C 43 50.156 50.417 -0.261 1
1 458 . 13 1 1 A 43 43 ALA CB C 43 21.455 22.117 -0.662 1
1 459 . 13 1 1 A 43 43 ALA N N 43 122.386 121.461 0.925 1
1 460 . 13 1 1 A 44 44 PRO HA H 44 4.079 4.111 -0.032 1
1 467 . 13 1 1 A 44 44 PRO C C 44 178.191 176.461 1.730 1
1 468 . 13 1 1 A 44 44 PRO CA C 44 63.194 63.532 -0.338 1
1 469 . 13 1 1 A 44 44 PRO CB C 44 31.525 31.924 -0.399 1
1 472 . 13 1 1 A 45 45 ALA H H 45 8.934 7.949 0.985 1
1 473 . 13 1 1 A 45 45 ALA HA H 45 3.965 4.113 -0.148 1
1 477 . 13 1 1 A 45 45 ALA C C 45 177.272 177.207 0.065 1
1 478 . 13 1 1 A 45 45 ALA CA C 45 53.911 53.300 0.611 1
1 479 . 13 1 1 A 45 45 ALA CB C 45 18.221 17.207 1.014 1
1 480 . 13 1 1 A 45 45 ALA N N 45 129.632 119.355 10.277 1
1 481 . 13 1 1 A 46 46 SER H H 46 8.311 8.398 -0.087 1
1 482 . 13 1 1 A 46 46 SER HA H 46 4.193 4.445 -0.252 1
1 485 . 13 1 1 A 46 46 SER C C 46 175.546 175.115 0.431 1
1 486 . 13 1 1 A 46 46 SER CA C 46 58.584 59.450 -0.866 1
1 487 . 13 1 1 A 46 46 SER CB C 46 63.543 64.515 -0.972 1
1 488 . 13 1 1 A 46 46 SER N N 46 111.878 111.270 0.608 1
1 489 . 13 1 1 A 47 47 GLY H H 47 7.743 7.980 -0.237 1
1 490 . 13 1 1 A 47 47 GLY HA2 H 47 4.203 3.960 0.243 1
1 491 . 13 1 1 A 47 47 GLY HA3 H 47 3.840 3.961 -0.121 1
1 492 . 13 1 1 A 47 47 GLY C C 47 174.463 174.911 -0.448 1
1 493 . 13 1 1 A 47 47 GLY CA C 47 45.501 45.207 0.294 1
1 494 . 13 1 1 A 47 47 GLY N N 47 108.526 109.304 -0.778 1
1 495 . 13 1 1 A 48 48 LEU H H 48 7.794 8.133 -0.339 1
1 496 . 13 1 1 A 48 48 LEU HA H 48 4.448 4.182 0.266 1
1 506 . 13 1 1 A 48 48 LEU C C 48 176.668 177.663 -0.995 1
1 507 . 13 1 1 A 48 48 LEU CA C 48 54.470 57.320 -2.850 1
1 508 . 13 1 1 A 48 48 LEU CB C 48 41.445 41.635 -0.190 1
1 512 . 13 1 1 A 48 48 LEU N N 48 120.348 118.803 1.545 1
1 513 . 13 1 1 A 49 49 GLY H H 49 7.889 7.738 0.151 1
1 514 . 13 1 1 A 49 49 GLY HA2 H 49 4.266 4.053 0.213 1
1 515 . 13 1 1 A 49 49 GLY HA3 H 49 3.965 4.058 -0.093 1
1 516 . 13 1 1 A 49 49 GLY C C 49 170.653 173.012 -2.359 1
1 517 . 13 1 1 A 49 49 GLY CA C 49 44.151 44.220 -0.069 1
1 518 . 13 1 1 A 49 49 GLY N N 49 108.892 109.111 -0.219 1
1 519 . 13 1 1 A 50 50 PRO HA H 50 4.483 4.583 -0.100 1
1 526 . 13 1 1 A 50 50 PRO C C 50 176.143 175.990 0.153 1
1 527 . 13 1 1 A 50 50 PRO CA C 50 62.639 62.777 -0.138 1
1 528 . 13 1 1 A 50 50 PRO CB C 50 32.575 32.916 -0.341 1
1 531 . 13 1 1 A 51 51 GLU H H 51 8.463 8.691 -0.228 1
1 532 . 13 1 1 A 51 51 GLU HA H 51 4.560 4.942 -0.382 1
1 537 . 13 1 1 A 51 51 GLU C C 51 175.792 174.970 0.822 1
1 538 . 13 1 1 A 51 51 GLU CA C 51 55.516 54.511 1.005 1
1 539 . 13 1 1 A 51 51 GLU CB C 51 31.305 33.076 -1.771 1
1 541 . 13 1 1 A 51 51 GLU N N 51 121.175 117.176 3.999 1
1 542 . 13 1 1 A 52 52 LYS H H 52 8.180 7.801 0.379 1
1 543 . 13 1 1 A 52 52 LYS HA H 52 4.511 4.409 0.102 1
1 552 . 13 1 1 A 52 52 LYS C C 52 174.000 175.347 -1.347 1
1 553 . 13 1 1 A 52 52 LYS CA C 52 54.952 55.846 -0.894 1
1 554 . 13 1 1 A 52 52 LYS CB C 52 36.101 33.326 2.775 1
1 558 . 13 1 1 A 52 52 LYS N N 52 125.598 124.575 1.023 1
1 559 . 13 1 1 A 53 53 SER H H 53 8.087 8.402 -0.315 1
1 560 . 13 1 1 A 53 53 SER HA H 53 5.637 4.856 0.781 1
1 563 . 13 1 1 A 53 53 SER C C 53 173.704 172.646 1.058 1
1 564 . 13 1 1 A 53 53 SER CA C 53 56.662 57.118 -0.456 1
1 565 . 13 1 1 A 53 53 SER CB C 53 67.219 65.707 1.512 1
1 566 . 13 1 1 A 53 53 SER N N 53 112.778 112.378 0.400 1
1 567 . 13 1 1 A 54 54 VAL H H 54 8.940 8.266 0.674 1
1 568 . 13 1 1 A 54 54 VAL HA H 54 4.314 4.909 -0.595 1
1 576 . 13 1 1 A 54 54 VAL C C 54 172.304 174.021 -1.717 1
1 577 . 13 1 1 A 54 54 VAL CA C 54 60.506 59.111 1.395 1
1 578 . 13 1 1 A 54 54 VAL CB C 54 36.121 35.823 0.298 1
1 581 . 13 1 1 A 54 54 VAL N N 54 119.961 118.593 1.368 1
1 582 . 13 1 1 A 55 55 SER H H 55 8.180 8.740 -0.560 1
1 583 . 13 1 1 A 55 55 SER HA H 55 5.461 5.162 0.299 1
1 586 . 13 1 1 A 55 55 SER C C 55 174.870 173.907 0.963 1
1 587 . 13 1 1 A 55 55 SER CA C 55 56.065 58.073 -2.008 1
1 588 . 13 1 1 A 55 55 SER CB C 55 64.094 64.369 -0.275 1
1 589 . 13 1 1 A 55 55 SER N N 55 117.963 118.947 -0.984 1
1 590 . 13 1 1 A 56 56 VAL H H 56 9.201 8.704 0.497 1
1 591 . 13 1 1 A 56 56 VAL HA H 56 4.780 4.638 0.142 1
1 599 . 13 1 1 A 56 56 VAL C C 56 173.446 173.991 -0.545 1
1 600 . 13 1 1 A 56 56 VAL CA C 56 58.760 59.007 -0.247 1
1 601 . 13 1 1 A 56 56 VAL CB C 56 35.954 35.864 0.090 1
1 604 . 13 1 1 A 56 56 VAL N N 56 127.863 126.221 1.642 1
1 605 . 13 1 1 A 57 57 PRO HA H 57 4.582 4.692 -0.110 1
1 612 . 13 1 1 A 57 57 PRO C C 57 176.776 178.454 -1.678 1
1 613 . 13 1 1 A 57 57 PRO CA C 57 64.226 63.111 1.115 1
1 614 . 13 1 1 A 57 57 PRO CB C 57 33.063 31.912 1.151 1
1 617 . 13 1 1 A 58 58 GLY H H 58 7.663 8.736 -1.073 1
1 618 . 13 1 1 A 58 58 GLY HA2 H 58 3.684 3.568 0.116 1
1 619 . 13 1 1 A 58 58 GLY HA3 H 58 3.620 3.696 -0.076 1
1 620 . 13 1 1 A 58 58 GLY C C 58 173.755 175.900 -2.145 1
1 621 . 13 1 1 A 58 58 GLY CA C 58 46.877 47.071 -0.194 1
1 622 . 13 1 1 A 58 58 GLY N N 58 106.964 112.019 -5.055 1
1 623 . 13 1 1 A 59 59 ALA H H 59 7.900 8.115 -0.215 1
1 624 . 13 1 1 A 59 59 ALA HA H 59 4.516 4.070 0.446 1
1 628 . 13 1 1 A 59 59 ALA C C 59 178.104 177.595 0.509 1
1 629 . 13 1 1 A 59 59 ALA CA C 59 52.713 54.956 -2.243 1
1 630 . 13 1 1 A 59 59 ALA CB C 59 19.380 19.023 0.357 1
1 631 . 13 1 1 A 59 59 ALA N N 59 119.932 123.984 -4.052 1
1 632 . 13 1 1 A 60 60 ARG H H 60 8.306 7.791 0.515 1
1 633 . 13 1 1 A 60 60 ARG HA H 60 4.559 4.843 -0.284 1
1 640 . 13 1 1 A 60 60 ARG C C 60 174.842 175.778 -0.936 1
1 641 . 13 1 1 A 60 60 ARG CA C 60 55.357 55.257 0.100 1
1 642 . 13 1 1 A 60 60 ARG CB C 60 32.823 32.273 0.550 1
1 645 . 13 1 1 A 60 60 ARG N N 60 118.739 116.173 2.566 1
1 646 . 13 1 1 A 61 61 SER H H 61 8.229 8.813 -0.584 1
1 647 . 13 1 1 A 61 61 SER HA H 61 3.709 4.554 -0.845 1
1 650 . 13 1 1 A 61 61 SER C C 61 170.973 172.616 -1.643 1
1 651 . 13 1 1 A 61 61 SER CA C 61 56.045 57.454 -1.409 1
1 652 . 13 1 1 A 61 61 SER CB C 61 63.329 63.498 -0.169 1
1 653 . 13 1 1 A 61 61 SER N N 61 110.956 112.532 -1.576 1
1 654 . 13 1 1 A 62 62 HIS H H 62 6.458 7.316 -0.858 1
1 655 . 13 1 1 A 62 62 HIS HA H 62 4.626 4.114 0.512 1
1 660 . 13 1 1 A 62 62 HIS C C 62 173.581 173.003 0.578 1
1 661 . 13 1 1 A 62 62 HIS CA C 62 54.494 53.367 1.127 1
1 662 . 13 1 1 A 62 62 HIS CB C 62 32.485 33.397 -0.912 1
1 665 . 13 1 1 A 62 62 HIS N N 62 113.571 116.572 -3.001 1
1 666 . 13 1 1 A 63 63 VAL H H 63 8.794 8.293 0.501 1
1 667 . 13 1 1 A 63 63 VAL HA H 63 4.325 4.334 -0.009 1
1 675 . 13 1 1 A 63 63 VAL C C 63 171.906 173.459 -1.553 1
1 676 . 13 1 1 A 63 63 VAL CA C 63 61.052 60.418 0.634 1
1 677 . 13 1 1 A 63 63 VAL CB C 63 34.800 34.658 0.142 1
1 680 . 13 1 1 A 63 63 VAL N N 63 118.122 118.772 -0.650 1
1 681 . 13 1 1 A 64 64 THR H H 64 8.316 8.662 -0.346 1
1 682 . 13 1 1 A 64 64 THR HA H 64 4.970 4.952 0.018 1
1 687 . 13 1 1 A 64 64 THR C C 64 173.412 173.268 0.144 1
1 688 . 13 1 1 A 64 64 THR CA C 64 61.775 61.584 0.191 1
1 689 . 13 1 1 A 64 64 THR CB C 64 69.851 70.657 -0.806 1
1 691 . 13 1 1 A 64 64 THR N N 64 122.871 121.092 1.779 1
1 692 . 13 1 1 A 65 65 LEU H H 65 9.348 8.282 1.066 1
1 693 . 13 1 1 A 65 65 LEU HA H 65 4.584 4.734 -0.150 1
1 703 . 13 1 1 A 65 65 LEU C C 65 173.397 174.860 -1.463 1
1 704 . 13 1 1 A 65 65 LEU CA C 65 50.297 51.113 -0.816 1
1 705 . 13 1 1 A 65 65 LEU CB C 65 41.547 42.153 -0.606 1
1 709 . 13 1 1 A 65 65 LEU N N 65 129.778 128.134 1.644 1
1 710 . 13 1 1 A 66 66 PRO HA H 66 4.868 4.582 0.286 1
1 717 . 13 1 1 A 66 66 PRO C C 66 175.188 176.200 -1.012 1
1 718 . 13 1 1 A 66 66 PRO CA C 66 61.370 62.514 -1.144 1
1 719 . 13 1 1 A 66 66 PRO CB C 66 33.700 32.543 1.157 1
1 722 . 13 1 1 A 67 67 ASP H H 67 8.729 8.822 -0.093 1
1 723 . 13 1 1 A 67 67 ASP HA H 67 4.333 4.046 0.287 1
1 726 . 13 1 1 A 67 67 ASP C C 67 175.824 175.226 0.598 1
1 727 . 13 1 1 A 67 67 ASP CA C 67 55.181 54.685 0.496 1
1 728 . 13 1 1 A 67 67 ASP CB C 67 39.225 39.595 -0.370 1
1 729 . 13 1 1 A 67 67 ASP N N 67 113.984 116.179 -2.195 1
1 730 . 13 1 1 A 68 68 LEU H H 68 8.599 7.812 0.787 1
1 731 . 13 1 1 A 68 68 LEU HA H 68 4.414 4.645 -0.231 1
1 741 . 13 1 1 A 68 68 LEU C C 68 176.487 176.432 0.055 1
1 742 . 13 1 1 A 68 68 LEU CA C 68 53.259 53.128 0.131 1
1 743 . 13 1 1 A 68 68 LEU CB C 68 41.630 43.667 -2.037 1
1 747 . 13 1 1 A 68 68 LEU N N 68 118.102 118.930 -0.828 1
1 748 . 13 1 1 A 69 69 GLN H H 69 8.114 8.232 -0.118 1
1 749 . 13 1 1 A 69 69 GLN HA H 69 4.349 4.792 -0.443 1
1 756 . 13 1 1 A 69 69 GLN C C 69 175.669 175.089 0.580 1
1 757 . 13 1 1 A 69 69 GLN CA C 69 54.722 54.585 0.137 1
1 758 . 13 1 1 A 69 69 GLN CB C 69 30.803 31.318 -0.515 1
1 760 . 13 1 1 A 69 69 GLN N N 69 118.191 119.978 -1.787 1
1 762 . 13 1 1 A 70 70 ALA H H 70 8.240 8.785 -0.545 1
1 763 . 13 1 1 A 70 70 ALA HA H 70 4.835 4.879 -0.044 1
1 767 . 13 1 1 A 70 70 ALA C C 70 178.720 176.921 1.799 1
1 768 . 13 1 1 A 70 70 ALA CA C 70 52.501 50.254 2.247 1
1 769 . 13 1 1 A 70 70 ALA CB C 70 20.257 21.886 -1.629 1
1 770 . 13 1 1 A 70 70 ALA N N 70 124.989 121.267 3.722 1
1 771 . 13 1 1 A 71 71 ALA H H 71 8.003 8.455 -0.452 1
1 772 . 13 1 1 A 71 71 ALA HA H 71 3.974 3.858 0.116 1
1 776 . 13 1 1 A 71 71 ALA C C 71 176.118 176.017 0.101 1
1 777 . 13 1 1 A 71 71 ALA CA C 71 52.491 53.033 -0.542 1
1 778 . 13 1 1 A 71 71 ALA CB C 71 18.439 17.518 0.921 1
1 779 . 13 1 1 A 71 71 ALA N N 71 128.133 119.991 8.142 1
1 780 . 13 1 1 A 72 72 THR H H 72 8.391 8.163 0.228 1
1 781 . 13 1 1 A 72 72 THR HA H 72 4.563 4.731 -0.168 1
1 786 . 13 1 1 A 72 72 THR C C 72 172.643 174.002 -1.359 1
1 787 . 13 1 1 A 72 72 THR CA C 72 62.856 61.764 1.092 1
1 788 . 13 1 1 A 72 72 THR CB C 72 71.924 71.388 0.536 1
1 790 . 13 1 1 A 72 72 THR N N 72 114.280 111.215 3.065 1
1 791 . 13 1 1 A 73 73 LYS H H 73 8.691 8.350 0.341 1
1 792 . 13 1 1 A 73 73 LYS HA H 73 4.846 4.451 0.395 1
1 801 . 13 1 1 A 73 73 LYS C C 73 176.405 175.673 0.732 1
1 802 . 13 1 1 A 73 73 LYS CA C 73 55.992 56.314 -0.322 1
1 803 . 13 1 1 A 73 73 LYS CB C 73 33.535 32.922 0.613 1
1 807 . 13 1 1 A 73 73 LYS N N 73 125.989 126.384 -0.395 1
1 808 . 13 1 1 A 74 74 TYR H H 74 9.569 8.712 0.857 1
1 809 . 13 1 1 A 74 74 TYR HA H 74 4.758 5.488 -0.730 1
1 816 . 13 1 1 A 74 74 TYR C C 74 173.567 174.851 -1.284 1
1 817 . 13 1 1 A 74 74 TYR CA C 74 58.778 56.545 2.233 1
1 818 . 13 1 1 A 74 74 TYR CB C 74 42.667 40.823 1.844 1
1 823 . 13 1 1 A 74 74 TYR N N 74 126.436 118.824 7.612 1
1 824 . 13 1 1 A 75 75 ARG H H 75 9.005 8.635 0.370 1
1 825 . 13 1 1 A 75 75 ARG HA H 75 5.053 4.614 0.439 1
1 832 . 13 1 1 A 75 75 ARG C C 75 175.042 175.044 -0.002 1
1 833 . 13 1 1 A 75 75 ARG CA C 75 55.027 56.583 -1.556 1
1 834 . 13 1 1 A 75 75 ARG CB C 75 32.284 30.559 1.725 1
1 837 . 13 1 1 A 75 75 ARG N N 75 121.560 126.053 -4.493 1
1 838 . 13 1 1 A 76 76 VAL H H 76 9.127 9.046 0.081 1
1 839 . 13 1 1 A 76 76 VAL HA H 76 4.977 4.508 0.469 1
1 847 . 13 1 1 A 76 76 VAL C C 76 173.144 175.540 -2.396 1
1 848 . 13 1 1 A 76 76 VAL CA C 76 60.876 62.556 -1.680 1
1 849 . 13 1 1 A 76 76 VAL CB C 76 34.922 31.850 3.072 1
1 852 . 13 1 1 A 76 76 VAL N N 76 127.571 126.915 0.656 1
1 853 . 13 1 1 A 77 77 LEU H H 77 9.083 9.470 -0.387 1
1 854 . 13 1 1 A 77 77 LEU HA H 77 5.350 5.511 -0.161 1
1 864 . 13 1 1 A 77 77 LEU C C 77 176.622 175.667 0.955 1
1 865 . 13 1 1 A 77 77 LEU CA C 77 53.911 53.338 0.573 1
1 866 . 13 1 1 A 77 77 LEU CB C 77 44.959 43.063 1.896 1
1 870 . 13 1 1 A 77 77 LEU N N 77 127.310 128.833 -1.523 1
1 871 . 13 1 1 A 78 78 VAL H H 78 8.918 8.637 0.281 1
1 872 . 13 1 1 A 78 78 VAL HA H 78 4.890 4.765 0.125 1
1 880 . 13 1 1 A 78 78 VAL C C 78 174.235 174.895 -0.660 1
1 881 . 13 1 1 A 78 78 VAL CA C 78 61.193 60.877 0.316 1
1 882 . 13 1 1 A 78 78 VAL CB C 78 34.718 33.520 1.198 1
1 885 . 13 1 1 A 78 78 VAL N N 78 119.228 126.407 -7.179 1
1 886 . 13 1 1 A 79 79 SER H H 79 8.598 8.551 0.047 1
1 887 . 13 1 1 A 79 79 SER HA H 79 4.725 4.944 -0.219 1
1 890 . 13 1 1 A 79 79 SER C C 79 172.877 172.792 0.085 1
1 891 . 13 1 1 A 79 79 SER CA C 79 56.680 57.471 -0.791 1
1 892 . 13 1 1 A 79 79 SER CB C 79 65.806 66.435 -0.629 1
1 893 . 13 1 1 A 79 79 SER N N 79 119.664 123.768 -4.104 1
1 894 . 13 1 1 A 80 80 ALA H H 80 8.939 8.330 0.609 1
1 895 . 13 1 1 A 80 80 ALA HA H 80 4.325 4.718 -0.393 1
1 899 . 13 1 1 A 80 80 ALA C C 80 174.050 176.981 -2.931 1
1 900 . 13 1 1 A 80 80 ALA CA C 80 51.126 51.280 -0.154 1
1 901 . 13 1 1 A 80 80 ALA CB C 80 21.990 19.770 2.220 1
1 902 . 13 1 1 A 80 80 ALA N N 80 126.283 127.033 -0.750 1
1 903 . 13 1 1 A 81 81 ILE H H 81 8.424 8.157 0.267 1
1 904 . 13 1 1 A 81 81 ILE HA H 81 4.116 4.527 -0.411 1
1 914 . 13 1 1 A 81 81 ILE C C 81 173.862 173.883 -0.021 1
1 915 . 13 1 1 A 81 81 ILE CA C 81 61.175 60.226 0.949 1
1 916 . 13 1 1 A 81 81 ILE CB C 81 36.015 38.208 -2.193 1
1 920 . 13 1 1 A 81 81 ILE N N 81 123.033 122.731 0.302 1
1 921 . 13 1 1 A 82 82 TYR H H 82 8.377 8.903 -0.526 1
1 922 . 13 1 1 A 82 82 TYR HA H 82 4.681 4.938 -0.257 1
1 929 . 13 1 1 A 82 82 TYR C C 82 176.146 175.999 0.147 1
1 930 . 13 1 1 A 82 82 TYR CA C 82 56.309 56.594 -0.285 1
1 931 . 13 1 1 A 82 82 TYR CB C 82 40.734 42.871 -2.137 1
1 936 . 13 1 1 A 82 82 TYR N N 82 125.168 124.310 0.858 1
1 937 . 13 1 1 A 83 83 ALA H H 83 9.437 9.082 0.355 1
1 938 . 13 1 1 A 83 83 ALA HA H 83 4.059 4.079 -0.020 1
1 942 . 13 1 1 A 83 83 ALA C C 83 179.312 179.834 -0.522 1
1 943 . 13 1 1 A 83 83 ALA CA C 83 55.729 55.635 0.094 1
1 944 . 13 1 1 A 83 83 ALA CB C 83 17.613 18.362 -0.749 1
1 945 . 13 1 1 A 83 83 ALA N N 83 125.234 125.423 -0.189 1
1 946 . 13 1 1 A 84 84 ALA H H 84 7.823 7.974 -0.151 1
1 947 . 13 1 1 A 84 84 ALA HA H 84 4.434 4.090 0.344 1
1 951 . 13 1 1 A 84 84 ALA C C 84 176.808 177.538 -0.730 1
1 952 . 13 1 1 A 84 84 ALA CA C 84 51.936 54.906 -2.970 1
1 953 . 13 1 1 A 84 84 ALA CB C 84 19.514 19.815 -0.301 1
1 954 . 13 1 1 A 84 84 ALA N N 84 114.587 119.859 -5.272 1
1 955 . 13 1 1 A 85 85 GLY H H 85 7.366 7.516 -0.150 1
1 956 . 13 1 1 A 85 85 GLY HA2 H 85 4.362 4.016 0.346 1
1 957 . 13 1 1 A 85 85 GLY HA3 H 85 3.835 4.033 -0.198 1
1 958 . 13 1 1 A 85 85 GLY C C 85 171.544 171.950 -0.406 1
1 959 . 13 1 1 A 85 85 GLY CA C 85 44.576 46.238 -1.662 1
1 960 . 13 1 1 A 85 85 GLY N N 85 105.342 102.309 3.033 1
1 961 . 13 1 1 A 86 86 ARG H H 86 8.626 8.591 0.035 1
1 962 . 13 1 1 A 86 86 ARG HA H 86 5.263 5.418 -0.155 1
1 969 . 13 1 1 A 86 86 ARG C C 86 176.925 175.409 1.516 1
1 970 . 13 1 1 A 86 86 ARG CA C 86 54.863 54.433 0.430 1
1 971 . 13 1 1 A 86 86 ARG CB C 86 33.491 33.270 0.221 1
1 974 . 13 1 1 A 86 86 ARG N N 86 118.147 118.508 -0.361 1
1 975 . 13 1 1 A 87 87 SER H H 87 9.496 9.349 0.147 1
1 976 . 13 1 1 A 87 87 SER HA H 87 4.747 4.599 0.148 1
1 979 . 13 1 1 A 87 87 SER C C 87 174.538 174.366 0.172 1
1 980 . 13 1 1 A 87 87 SER CA C 87 58.284 58.196 0.088 1
1 981 . 13 1 1 A 87 87 SER CB C 87 67.271 65.224 2.047 1
1 982 . 13 1 1 A 87 87 SER N N 87 119.835 116.178 3.657 1
1 983 . 13 1 1 A 88 88 GLU H H 88 9.058 8.573 0.485 1
1 984 . 13 1 1 A 88 88 GLU HA H 88 4.342 4.233 0.109 1
1 989 . 13 1 1 A 88 88 GLU C C 88 176.157 175.699 0.458 1
1 990 . 13 1 1 A 88 88 GLU CA C 88 56.874 56.272 0.602 1
1 991 . 13 1 1 A 88 88 GLU CB C 88 30.350 30.196 0.154 1
1 993 . 13 1 1 A 88 88 GLU N N 88 119.700 120.318 -0.618 1
1 994 . 13 1 1 A 89 89 ALA H H 89 8.674 8.522 0.152 1
1 995 . 13 1 1 A 89 89 ALA HA H 89 4.918 5.346 -0.428 1
1 999 . 13 1 1 A 89 89 ALA C C 89 178.887 176.242 2.645 1
1 1000 . 13 1 1 A 89 89 ALA CA C 89 51.340 50.146 1.194 1
1 1001 . 13 1 1 A 89 89 ALA CB C 89 20.130 21.655 -1.525 1
1 1002 . 13 1 1 A 89 89 ALA N N 89 125.485 123.116 2.369 1
1 1003 . 13 1 1 A 90 90 VAL H H 90 8.621 8.589 0.032 1
1 1004 . 13 1 1 A 90 90 VAL HA H 90 4.562 4.827 -0.265 1
1 1012 . 13 1 1 A 90 90 VAL C C 90 174.251 175.443 -1.192 1
1 1013 . 13 1 1 A 90 90 VAL CA C 90 60.365 60.462 -0.097 1
1 1014 . 13 1 1 A 90 90 VAL CB C 90 33.770 33.607 0.163 1
1 1017 . 13 1 1 A 90 90 VAL N N 90 119.440 119.243 0.197 1
1 1018 . 13 1 1 A 91 91 SER H H 91 8.373 8.859 -0.486 1
1 1019 . 13 1 1 A 91 91 SER HA H 91 5.877 5.150 0.727 1
1 1022 . 13 1 1 A 91 91 SER C C 91 174.245 173.824 0.421 1
1 1023 . 13 1 1 A 91 91 SER CA C 91 56.109 56.908 -0.799 1
1 1024 . 13 1 1 A 91 91 SER CB C 91 67.620 64.989 2.631 1
1 1025 . 13 1 1 A 91 91 SER N N 91 116.084 120.794 -4.710 1
1 1026 . 13 1 1 A 92 92 ALA H H 92 8.900 8.850 0.050 1
1 1027 . 13 1 1 A 92 92 ALA HA H 92 4.681 4.934 -0.253 1
1 1031 . 13 1 1 A 92 92 ALA C C 92 175.187 176.033 -0.846 1
1 1032 . 13 1 1 A 92 92 ALA CA C 92 51.990 51.899 0.091 1
1 1033 . 13 1 1 A 92 92 ALA CB C 92 23.056 22.187 0.869 1
1 1034 . 13 1 1 A 92 92 ALA N N 92 123.885 122.276 1.609 1
1 1035 . 13 1 1 A 93 93 THR H H 93 8.466 8.707 -0.241 1
1 1036 . 13 1 1 A 93 93 THR HA H 93 5.623 5.233 0.390 1
1 1041 . 13 1 1 A 93 93 THR C C 93 174.366 174.204 0.162 1
1 1042 . 13 1 1 A 93 93 THR CA C 93 60.154 60.405 -0.251 1
1 1043 . 13 1 1 A 93 93 THR CB C 93 71.657 70.310 1.347 1
1 1045 . 13 1 1 A 93 93 THR N N 93 112.591 115.386 -2.795 1
1 1046 . 13 1 1 A 94 94 GLY H H 94 8.657 8.948 -0.291 1
1 1047 . 13 1 1 A 94 94 GLY HA2 H 94 4.483 4.243 0.240 1
1 1048 . 13 1 1 A 94 94 GLY HA3 H 94 3.625 4.255 -0.630 1
1 1049 . 13 1 1 A 94 94 GLY C C 94 170.518 173.710 -3.192 1
1 1050 . 13 1 1 A 94 94 GLY CA C 94 44.849 44.974 -0.125 1
1 1051 . 13 1 1 A 94 94 GLY N N 94 111.375 111.042 0.333 1
1 1052 . 13 1 1 A 95 95 GLN H H 95 8.667 8.704 -0.037 1
1 1053 . 13 1 1 A 95 95 GLN HA H 95 5.491 4.229 1.262 1
1 1060 . 13 1 1 A 95 95 GLN C C 95 176.226 175.350 0.876 1
1 1061 . 13 1 1 A 95 95 GLN CA C 95 54.000 56.720 -2.720 1
1 1062 . 13 1 1 A 95 95 GLN CB C 95 32.822 29.543 3.279 1
1 1064 . 13 1 1 A 95 95 GLN N N 95 120.893 126.515 -5.622 1
1 1066 . 13 1 1 A 96 96 THR H H 96 8.609 8.480 0.129 1
1 1067 . 13 1 1 A 96 96 THR HA H 96 4.384 4.767 -0.383 1
1 1072 . 13 1 1 A 96 96 THR C C 96 175.194 174.115 1.079 1
1 1073 . 13 1 1 A 96 96 THR CA C 96 60.783 61.599 -0.816 1
1 1074 . 13 1 1 A 96 96 THR CB C 96 70.198 71.047 -0.849 1
1 1076 . 13 1 1 A 96 96 THR N N 96 115.777 116.865 -1.088 1
1 1077 . 13 1 1 A 97 97 ALA H H 97 8.009 8.204 -0.195 1
1 1078 . 13 1 1 A 97 97 ALA HA H 97 4.186 4.597 -0.411 1
1 1082 . 13 1 1 A 97 97 ALA C C 97 176.174 177.324 -1.150 1
1 1083 . 13 1 1 A 97 97 ALA CA C 97 52.077 51.163 0.914 1
1 1084 . 13 1 1 A 97 97 ALA CB C 97 19.001 19.694 -0.693 1
1 1085 . 13 1 1 A 97 97 ALA N N 97 120.015 123.254 -3.239 1
1 1086 . 13 1 1 A 98 98 CYS H H 98 8.239 8.589 -0.350 1
1 1087 . 13 1 1 A 98 98 CYS HA H 98 4.705 4.407 0.298 1
1 1090 . 13 1 1 A 98 98 CYS C C 98 173.203 173.270 -0.067 1
1 1091 . 13 1 1 A 98 98 CYS CA C 98 56.644 58.868 -2.224 1
1 1092 . 13 1 1 A 98 98 CYS CB C 98 27.357 27.351 0.006 1
1 1093 . 13 1 1 A 98 98 CYS N N 98 116.874 120.532 -3.658 1
1 1094 . 13 1 1 A 99 99 PRO HA H 99 4.421 4.476 -0.055 1
1 1101 . 13 1 1 A 99 99 PRO CA C 99 63.337 62.486 0.851 1
1 1102 . 13 1 1 A 99 99 PRO CB C 99 32.132 31.932 0.200 1
1 1105 . 13 1 1 A 100 100 SER H H 100 8.463 8.413 0.050 1
1 1106 . 13 1 1 A 100 100 SER HA H 100 4.470 4.527 -0.057 1
1 1109 . 13 1 1 A 100 100 SER CA C 100 58.453 60.096 -1.643 1
1 1110 . 13 1 1 A 100 100 SER CB C 100 64.023 63.646 0.377 1
1 1111 . 13 1 1 A 100 100 SER N N 100 116.426 118.921 -2.495 1
1 1112 . 13 1 1 A 101 101 GLY H H 101 8.237 8.487 -0.250 1
1 1113 . 13 1 1 A 101 101 GLY HA2 H 101 4.165 4.208 -0.043 1
1 1114 . 13 1 1 A 101 101 GLY HA3 H 101 4.100 4.208 -0.108 1
1 1115 . 13 1 1 A 101 101 GLY CA C 101 44.647 45.130 -0.483 1
1 1116 . 13 1 1 A 101 101 GLY N N 101 110.731 111.283 -0.552 1
1 1117 . 13 1 1 A 102 102 PRO HA H 102 4.484 4.543 -0.059 1
1 1123 . 13 1 1 A 102 102 PRO CA C 102 63.069 62.591 0.478 1
1 1124 . 13 1 1 A 102 102 PRO CB C 102 32.189 32.695 -0.506 1
1 1127 . 13 1 1 A 103 103 SER H H 103 8.540 8.689 -0.149 1
1 1 . 14 1 1 A 5 5 SER N N 5 119.122 118.463 0.659 1
1 2 . 14 1 1 A 6 6 SER N N 6 123.945 116.606 7.339 1
1 3 . 14 1 1 A 7 7 GLY HA2 H 7 3.813 3.856 -0.043 1
1 4 . 14 1 1 A 7 7 GLY HA3 H 7 3.813 3.890 -0.077 1
1 5 . 14 1 1 A 7 7 GLY CA C 7 45.375 45.538 -0.163 1
1 6 . 14 1 1 A 8 8 ARG H H 8 7.999 7.773 0.226 1
1 7 . 14 1 1 A 8 8 ARG HA H 8 3.712 3.427 0.285 1
1 14 . 14 1 1 A 8 8 ARG CA C 8 54.185 56.068 -1.883 1
1 15 . 14 1 1 A 8 8 ARG CB C 8 29.555 30.947 -1.392 1
1 18 . 14 1 1 A 8 8 ARG N N 8 121.209 121.592 -0.383 1
1 19 . 14 1 1 A 9 9 SER H H 9 7.810 8.588 -0.778 1
1 20 . 14 1 1 A 9 9 SER HA H 9 4.725 5.006 -0.281 1
1 23 . 14 1 1 A 9 9 SER CA C 9 58.455 54.739 3.716 1
1 24 . 14 1 1 A 9 9 SER CB C 9 62.966 65.391 -2.425 1
1 25 . 14 1 1 A 9 9 SER N N 9 118.072 119.929 -1.857 1
1 26 . 14 1 1 A 10 10 PRO HA H 10 5.182 4.965 0.217 1
1 33 . 14 1 1 A 10 10 PRO CA C 10 61.759 61.321 0.438 1
1 34 . 14 1 1 A 10 10 PRO CB C 10 30.280 31.554 -1.274 1
1 37 . 14 1 1 A 11 11 PRO HA H 11 4.567 4.671 -0.104 1
1 44 . 14 1 1 A 11 11 PRO C C 11 173.556 176.213 -2.657 1
1 45 . 14 1 1 A 11 11 PRO CA C 11 62.674 62.709 -0.035 1
1 46 . 14 1 1 A 11 11 PRO CB C 11 33.026 31.615 1.411 1
1 49 . 14 1 1 A 12 12 SER H H 12 8.427 8.646 -0.219 1
1 50 . 14 1 1 A 12 12 SER HA H 12 4.890 4.962 -0.072 1
1 53 . 14 1 1 A 12 12 SER C C 12 173.115 173.822 -0.707 1
1 54 . 14 1 1 A 12 12 SER CA C 12 56.556 57.279 -0.723 1
1 55 . 14 1 1 A 12 12 SER CB C 12 66.882 65.677 1.205 1
1 56 . 14 1 1 A 12 12 SER N N 12 111.345 118.486 -7.141 1
1 57 . 14 1 1 A 13 13 ASN H H 13 8.973 8.801 0.172 1
1 58 . 14 1 1 A 13 13 ASN HA H 13 4.318 4.264 0.054 1
1 63 . 14 1 1 A 13 13 ASN C C 13 173.850 174.708 -0.858 1
1 64 . 14 1 1 A 13 13 ASN CA C 13 53.928 54.257 -0.329 1
1 65 . 14 1 1 A 13 13 ASN CB C 13 37.365 36.933 0.432 1
1 66 . 14 1 1 A 13 13 ASN N N 13 115.970 116.878 -0.908 1
1 68 . 14 1 1 A 14 14 LEU H H 14 8.223 8.276 -0.053 1
1 69 . 14 1 1 A 14 14 LEU HA H 14 4.857 4.327 0.530 1
1 79 . 14 1 1 A 14 14 LEU C C 14 176.725 177.109 -0.384 1
1 80 . 14 1 1 A 14 14 LEU CA C 14 56.115 56.229 -0.114 1
1 81 . 14 1 1 A 14 14 LEU CB C 14 42.621 41.828 0.793 1
1 85 . 14 1 1 A 14 14 LEU N N 14 119.681 120.142 -0.461 1
1 86 . 14 1 1 A 15 15 ALA H H 15 9.364 8.298 1.066 1
1 87 . 14 1 1 A 15 15 ALA HA H 15 4.736 5.051 -0.315 1
1 91 . 14 1 1 A 15 15 ALA C C 15 175.056 175.537 -0.481 1
1 92 . 14 1 1 A 15 15 ALA CA C 15 51.496 50.913 0.583 1
1 93 . 14 1 1 A 15 15 ALA CB C 15 22.285 20.846 1.439 1
1 94 . 14 1 1 A 15 15 ALA N N 15 130.359 126.079 4.280 1
1 95 . 14 1 1 A 16 16 LEU H H 16 8.448 9.101 -0.653 1
1 96 . 14 1 1 A 16 16 LEU HA H 16 5.385 4.920 0.465 1
1 106 . 14 1 1 A 16 16 LEU C C 16 175.868 175.447 0.421 1
1 107 . 14 1 1 A 16 16 LEU CA C 16 53.224 54.245 -1.021 1
1 108 . 14 1 1 A 16 16 LEU CB C 16 45.061 41.630 3.431 1
1 112 . 14 1 1 A 16 16 LEU N N 16 120.470 124.393 -3.923 1
1 113 . 14 1 1 A 17 17 ALA H H 17 8.737 9.355 -0.618 1
1 114 . 14 1 1 A 17 17 ALA HA H 17 4.620 5.372 -0.752 1
1 118 . 14 1 1 A 17 17 ALA C C 17 175.371 176.408 -1.037 1
1 119 . 14 1 1 A 17 17 ALA CA C 17 51.249 50.121 1.128 1
1 120 . 14 1 1 A 17 17 ALA CB C 17 22.570 21.458 1.112 1
1 121 . 14 1 1 A 17 17 ALA N N 17 124.938 128.911 -3.973 1
1 122 . 14 1 1 A 18 18 SER H H 18 8.675 8.805 -0.130 1
1 123 . 14 1 1 A 18 18 SER HA H 18 5.021 5.258 -0.237 1
1 126 . 14 1 1 A 18 18 SER C C 18 174.678 174.269 0.409 1
1 127 . 14 1 1 A 18 18 SER CA C 18 57.244 56.645 0.599 1
1 128 . 14 1 1 A 18 18 SER CB C 18 64.200 64.459 -0.259 1
1 129 . 14 1 1 A 18 18 SER N N 18 113.933 115.494 -1.561 1
1 130 . 14 1 1 A 19 19 GLU H H 19 9.743 8.741 1.002 1
1 131 . 14 1 1 A 19 19 GLU HA H 19 4.466 4.552 -0.086 1
1 136 . 14 1 1 A 19 19 GLU C C 19 176.368 176.195 0.173 1
1 137 . 14 1 1 A 19 19 GLU CA C 19 56.295 57.512 -1.217 1
1 138 . 14 1 1 A 19 19 GLU CB C 19 31.532 31.933 -0.401 1
1 140 . 14 1 1 A 19 19 GLU N N 19 127.234 123.417 3.817 1
1 141 . 14 1 1 A 20 20 THR H H 20 7.759 7.589 0.170 1
1 142 . 14 1 1 A 20 20 THR HA H 20 4.935 4.681 0.254 1
1 147 . 14 1 1 A 20 20 THR C C 20 171.770 173.780 -2.010 1
1 148 . 14 1 1 A 20 20 THR CA C 20 58.337 58.340 -0.003 1
1 149 . 14 1 1 A 20 20 THR CB C 20 69.869 71.749 -1.880 1
1 151 . 14 1 1 A 20 20 THR N N 20 109.600 111.359 -1.759 1
1 152 . 14 1 1 A 21 21 PRO HA H 21 4.587 4.484 0.103 1
1 159 . 14 1 1 A 21 21 PRO C C 21 173.647 176.594 -2.947 1
1 160 . 14 1 1 A 21 21 PRO CA C 21 64.332 64.218 0.114 1
1 161 . 14 1 1 A 21 21 PRO CB C 21 32.380 31.668 0.712 1
1 164 . 14 1 1 A 22 22 ASP H H 22 7.420 8.361 -0.941 1
1 165 . 14 1 1 A 22 22 ASP HA H 22 4.648 5.196 -0.548 1
1 168 . 14 1 1 A 22 22 ASP C C 22 175.838 175.111 0.727 1
1 169 . 14 1 1 A 22 22 ASP CA C 22 51.037 54.096 -3.059 1
1 170 . 14 1 1 A 22 22 ASP CB C 22 42.177 42.097 0.080 1
1 171 . 14 1 1 A 22 22 ASP N N 22 107.201 117.533 -10.332 1
1 172 . 14 1 1 A 23 23 SER H H 23 7.729 7.524 0.205 1
1 173 . 14 1 1 A 23 23 SER HA H 23 5.474 4.910 0.564 1
1 176 . 14 1 1 A 23 23 SER C C 23 171.887 171.691 0.196 1
1 177 . 14 1 1 A 23 23 SER CA C 23 57.481 56.810 0.671 1
1 178 . 14 1 1 A 23 23 SER CB C 23 68.168 64.959 3.209 1
1 179 . 14 1 1 A 23 23 SER N N 23 112.046 112.331 -0.285 1
1 180 . 14 1 1 A 24 24 LEU H H 24 7.884 8.456 -0.572 1
1 181 . 14 1 1 A 24 24 LEU HA H 24 4.769 4.758 0.011 1
1 191 . 14 1 1 A 24 24 LEU C C 24 174.542 173.813 0.729 1
1 192 . 14 1 1 A 24 24 LEU CA C 24 53.576 54.332 -0.756 1
1 193 . 14 1 1 A 24 24 LEU CB C 24 47.616 45.769 1.847 1
1 197 . 14 1 1 A 24 24 LEU N N 24 119.324 123.526 -4.202 1
1 198 . 14 1 1 A 25 25 GLN H H 25 9.356 9.474 -0.118 1
1 199 . 14 1 1 A 25 25 GLN HA H 25 4.747 4.877 -0.130 1
1 206 . 14 1 1 A 25 25 GLN C C 25 174.824 174.809 0.015 1
1 207 . 14 1 1 A 25 25 GLN CA C 25 55.533 54.855 0.678 1
1 208 . 14 1 1 A 25 25 GLN CB C 25 29.759 30.214 -0.455 1
1 210 . 14 1 1 A 25 25 GLN N N 25 124.019 127.375 -3.356 1
1 212 . 14 1 1 A 26 26 VAL H H 26 9.020 8.402 0.618 1
1 213 . 14 1 1 A 26 26 VAL HA H 26 4.824 4.912 -0.088 1
1 221 . 14 1 1 A 26 26 VAL C C 26 174.556 173.721 0.835 1
1 222 . 14 1 1 A 26 26 VAL CA C 26 60.629 59.927 0.702 1
1 223 . 14 1 1 A 26 26 VAL CB C 26 33.355 35.689 -2.334 1
1 226 . 14 1 1 A 26 26 VAL N N 26 127.649 124.072 3.577 1
1 227 . 14 1 1 A 27 27 SER H H 27 9.056 8.570 0.486 1
1 228 . 14 1 1 A 27 27 SER HA H 27 4.857 4.486 0.371 1
1 231 . 14 1 1 A 27 27 SER C C 27 172.328 172.395 -0.067 1
1 232 . 14 1 1 A 27 27 SER CA C 27 57.138 55.964 1.174 1
1 233 . 14 1 1 A 27 27 SER CB C 27 66.864 65.184 1.680 1
1 234 . 14 1 1 A 27 27 SER N N 27 119.826 121.783 -1.957 1
1 235 . 14 1 1 A 28 28 TRP H H 28 7.584 8.106 -0.522 1
1 236 . 14 1 1 A 28 28 TRP HA H 28 5.022 5.281 -0.259 1
1 245 . 14 1 1 A 28 28 TRP C C 28 174.055 172.991 1.064 1
1 246 . 14 1 1 A 28 28 TRP CA C 28 56.609 55.736 0.873 1
1 247 . 14 1 1 A 28 28 TRP CB C 28 29.814 30.964 -1.150 1
1 253 . 14 1 1 A 28 28 TRP N N 28 115.280 120.228 -4.948 1
1 255 . 14 1 1 A 29 29 THR H H 29 9.293 8.992 0.301 1
1 256 . 14 1 1 A 29 29 THR HA H 29 4.865 4.822 0.043 1
1 261 . 14 1 1 A 29 29 THR C C 29 173.203 173.681 -0.478 1
1 262 . 14 1 1 A 29 29 THR CA C 29 59.889 59.649 0.240 1
1 263 . 14 1 1 A 29 29 THR CB C 29 69.774 69.735 0.039 1
1 265 . 14 1 1 A 29 29 THR N N 29 117.164 115.129 2.035 1
1 266 . 14 1 1 A 30 30 PRO HA H 30 4.809 4.862 -0.053 1
1 273 . 14 1 1 A 30 30 PRO CA C 30 61.701 62.103 -0.402 1
1 274 . 14 1 1 A 30 30 PRO CB C 30 32.114 32.626 -0.512 1
1 277 . 14 1 1 A 31 31 PRO HA H 31 4.703 4.756 -0.053 1
1 284 . 14 1 1 A 31 31 PRO C C 31 175.384 176.440 -1.056 1
1 285 . 14 1 1 A 31 31 PRO CA C 31 61.793 62.383 -0.590 1
1 286 . 14 1 1 A 31 31 PRO CB C 31 32.822 33.438 -0.616 1
1 289 . 14 1 1 A 32 32 LEU H H 32 8.312 8.147 0.165 1
1 290 . 14 1 1 A 32 32 LEU HA H 32 4.333 4.422 -0.089 1
1 300 . 14 1 1 A 32 32 LEU C C 32 177.793 177.794 -0.001 1
1 301 . 14 1 1 A 32 32 LEU CA C 32 55.851 56.140 -0.289 1
1 302 . 14 1 1 A 32 32 LEU CB C 32 41.968 42.901 -0.933 1
1 306 . 14 1 1 A 32 32 LEU N N 32 119.044 117.464 1.580 1
1 307 . 14 1 1 A 33 33 GLY H H 33 8.147 7.861 0.286 1
1 308 . 14 1 1 A 33 33 GLY HA2 H 33 4.210 3.986 0.224 1
1 309 . 14 1 1 A 33 33 GLY HA3 H 33 4.051 4.055 -0.004 1
1 310 . 14 1 1 A 33 33 GLY C C 33 172.971 173.129 -0.158 1
1 311 . 14 1 1 A 33 33 GLY CA C 33 44.216 45.526 -1.310 1
1 312 . 14 1 1 A 33 33 GLY N N 33 107.917 108.184 -0.267 1
1 313 . 14 1 1 A 34 34 ARG H H 34 8.671 8.439 0.232 1
1 314 . 14 1 1 A 34 34 ARG HA H 34 4.405 4.433 -0.028 1
1 321 . 14 1 1 A 34 34 ARG C C 34 174.517 175.530 -1.013 1
1 322 . 14 1 1 A 34 34 ARG CA C 34 55.339 56.202 -0.863 1
1 323 . 14 1 1 A 34 34 ARG CB C 34 29.137 29.890 -0.753 1
1 326 . 14 1 1 A 34 34 ARG N N 34 121.152 122.957 -1.805 1
1 327 . 14 1 1 A 35 35 VAL H H 35 7.825 8.421 -0.596 1
1 328 . 14 1 1 A 35 35 VAL HA H 35 3.060 4.234 -1.174 1
1 336 . 14 1 1 A 35 35 VAL C C 35 176.613 175.256 1.357 1
1 337 . 14 1 1 A 35 35 VAL CA C 35 62.505 61.563 0.942 1
1 338 . 14 1 1 A 35 35 VAL CB C 35 32.534 31.779 0.755 1
1 341 . 14 1 1 A 35 35 VAL N N 35 126.379 127.549 -1.170 1
1 342 . 14 1 1 A 36 36 LEU H H 36 8.874 8.423 0.451 1
1 343 . 14 1 1 A 36 36 LEU HA H 36 4.176 4.037 0.139 1
1 353 . 14 1 1 A 36 36 LEU C C 36 177.540 176.801 0.739 1
1 354 . 14 1 1 A 36 36 LEU CA C 36 57.050 57.971 -0.921 1
1 355 . 14 1 1 A 36 36 LEU CB C 36 41.723 42.499 -0.776 1
1 359 . 14 1 1 A 36 36 LEU N N 36 127.956 131.261 -3.305 1
1 360 . 14 1 1 A 37 37 HIS H H 37 7.231 7.488 -0.257 1
1 361 . 14 1 1 A 37 37 HIS HA H 37 4.615 5.086 -0.471 1
1 366 . 14 1 1 A 37 37 HIS C C 37 171.558 171.749 -0.191 1
1 367 . 14 1 1 A 37 37 HIS CA C 37 55.005 53.701 1.304 1
1 368 . 14 1 1 A 37 37 HIS CB C 37 32.039 32.957 -0.918 1
1 371 . 14 1 1 A 37 37 HIS N N 37 112.948 112.801 0.147 1
1 372 . 14 1 1 A 38 38 TYR H H 38 9.836 8.977 0.859 1
1 373 . 14 1 1 A 38 38 TYR HA H 38 5.165 4.932 0.233 1
1 378 . 14 1 1 A 38 38 TYR C C 38 174.934 174.834 0.100 1
1 379 . 14 1 1 A 38 38 TYR CA C 38 56.698 56.484 0.214 1
1 380 . 14 1 1 A 38 38 TYR CB C 38 40.251 39.543 0.708 1
1 385 . 14 1 1 A 38 38 TYR N N 38 116.581 116.869 -0.288 1
1 386 . 14 1 1 A 39 39 TRP H H 39 8.984 8.694 0.290 1
1 387 . 14 1 1 A 39 39 TRP HA H 39 5.307 4.965 0.342 1
1 396 . 14 1 1 A 39 39 TRP C C 39 173.996 174.970 -0.974 1
1 397 . 14 1 1 A 39 39 TRP CA C 39 55.798 57.736 -1.938 1
1 398 . 14 1 1 A 39 39 TRP CB C 39 31.998 29.532 2.466 1
1 404 . 14 1 1 A 39 39 TRP N N 39 124.201 128.433 -4.232 1
1 406 . 14 1 1 A 40 40 LEU H H 40 8.695 8.254 0.441 1
1 407 . 14 1 1 A 40 40 LEU HA H 40 5.636 4.997 0.639 1
1 417 . 14 1 1 A 40 40 LEU C C 40 175.416 174.767 0.649 1
1 418 . 14 1 1 A 40 40 LEU CA C 40 54.030 53.510 0.520 1
1 419 . 14 1 1 A 40 40 LEU CB C 40 44.846 44.901 -0.055 1
1 423 . 14 1 1 A 40 40 LEU N N 40 132.690 129.802 2.888 1
1 424 . 14 1 1 A 41 41 THR H H 41 9.103 8.716 0.387 1
1 425 . 14 1 1 A 41 41 THR HA H 41 5.341 5.047 0.294 1
1 430 . 14 1 1 A 41 41 THR C C 41 173.042 173.157 -0.115 1
1 431 . 14 1 1 A 41 41 THR CA C 41 60.118 60.214 -0.096 1
1 432 . 14 1 1 A 41 41 THR CB C 41 71.493 70.088 1.405 1
1 434 . 14 1 1 A 41 41 THR N N 41 117.923 116.395 1.528 1
1 435 . 14 1 1 A 42 42 TYR H H 42 9.073 8.719 0.354 1
1 436 . 14 1 1 A 42 42 TYR HA H 42 5.915 5.464 0.451 1
1 443 . 14 1 1 A 42 42 TYR C C 42 173.637 174.655 -1.018 1
1 444 . 14 1 1 A 42 42 TYR CA C 42 55.146 55.938 -0.792 1
1 445 . 14 1 1 A 42 42 TYR CB C 42 42.124 41.025 1.099 1
1 450 . 14 1 1 A 42 42 TYR N N 42 118.958 123.433 -4.475 1
1 451 . 14 1 1 A 43 43 ALA H H 43 8.508 9.041 -0.533 1
1 452 . 14 1 1 A 43 43 ALA HA H 43 5.099 4.845 0.254 1
1 456 . 14 1 1 A 43 43 ALA C C 43 173.859 174.094 -0.235 1
1 457 . 14 1 1 A 43 43 ALA CA C 43 50.156 50.356 -0.200 1
1 458 . 14 1 1 A 43 43 ALA CB C 43 21.455 22.157 -0.702 1
1 459 . 14 1 1 A 43 43 ALA N N 43 122.386 121.292 1.094 1
1 460 . 14 1 1 A 44 44 PRO HA H 44 4.079 4.444 -0.365 1
1 467 . 14 1 1 A 44 44 PRO C C 44 178.191 177.506 0.685 1
1 468 . 14 1 1 A 44 44 PRO CA C 44 63.194 62.443 0.751 1
1 469 . 14 1 1 A 44 44 PRO CB C 44 31.525 30.849 0.676 1
1 472 . 14 1 1 A 45 45 ALA H H 45 8.934 8.568 0.366 1
1 473 . 14 1 1 A 45 45 ALA HA H 45 3.965 3.986 -0.021 1
1 477 . 14 1 1 A 45 45 ALA C C 45 177.272 179.466 -2.194 1
1 478 . 14 1 1 A 45 45 ALA CA C 45 53.911 55.388 -1.477 1
1 479 . 14 1 1 A 45 45 ALA CB C 45 18.221 18.625 -0.404 1
1 480 . 14 1 1 A 45 45 ALA N N 45 129.632 128.231 1.401 1
1 481 . 14 1 1 A 46 46 SER H H 46 8.311 7.847 0.464 1
1 482 . 14 1 1 A 46 46 SER HA H 46 4.193 4.093 0.100 1
1 485 . 14 1 1 A 46 46 SER C C 46 175.546 174.990 0.556 1
1 486 . 14 1 1 A 46 46 SER CA C 46 58.584 61.449 -2.865 1
1 487 . 14 1 1 A 46 46 SER CB C 46 63.543 63.612 -0.069 1
1 488 . 14 1 1 A 46 46 SER N N 46 111.878 113.665 -1.787 1
1 489 . 14 1 1 A 47 47 GLY H H 47 7.743 8.207 -0.464 1
1 490 . 14 1 1 A 47 47 GLY HA2 H 47 4.203 3.990 0.213 1
1 491 . 14 1 1 A 47 47 GLY HA3 H 47 3.840 3.994 -0.154 1
1 492 . 14 1 1 A 47 47 GLY C C 47 174.463 175.101 -0.638 1
1 493 . 14 1 1 A 47 47 GLY CA C 47 45.501 46.305 -0.804 1
1 494 . 14 1 1 A 47 47 GLY N N 47 108.526 108.134 0.392 1
1 495 . 14 1 1 A 48 48 LEU H H 48 7.794 7.871 -0.077 1
1 496 . 14 1 1 A 48 48 LEU HA H 48 4.448 4.776 -0.328 1
1 506 . 14 1 1 A 48 48 LEU C C 48 176.668 175.869 0.799 1
1 507 . 14 1 1 A 48 48 LEU CA C 48 54.470 53.897 0.573 1
1 508 . 14 1 1 A 48 48 LEU CB C 48 41.445 43.075 -1.630 1
1 512 . 14 1 1 A 48 48 LEU N N 48 120.348 117.913 2.435 1
1 513 . 14 1 1 A 49 49 GLY H H 49 7.889 7.750 0.139 1
1 514 . 14 1 1 A 49 49 GLY HA2 H 49 4.266 4.071 0.195 1
1 515 . 14 1 1 A 49 49 GLY HA3 H 49 3.965 4.072 -0.107 1
1 516 . 14 1 1 A 49 49 GLY C C 49 170.653 171.425 -0.772 1
1 517 . 14 1 1 A 49 49 GLY CA C 49 44.151 44.957 -0.806 1
1 518 . 14 1 1 A 49 49 GLY N N 49 108.892 108.659 0.233 1
1 519 . 14 1 1 A 50 50 PRO HA H 50 4.483 4.534 -0.051 1
1 526 . 14 1 1 A 50 50 PRO C C 50 176.143 175.895 0.248 1
1 527 . 14 1 1 A 50 50 PRO CA C 50 62.639 62.598 0.041 1
1 528 . 14 1 1 A 50 50 PRO CB C 50 32.575 32.943 -0.368 1
1 531 . 14 1 1 A 51 51 GLU H H 51 8.463 8.582 -0.119 1
1 532 . 14 1 1 A 51 51 GLU HA H 51 4.560 4.716 -0.156 1
1 537 . 14 1 1 A 51 51 GLU C C 51 175.792 174.846 0.946 1
1 538 . 14 1 1 A 51 51 GLU CA C 51 55.516 55.137 0.379 1
1 539 . 14 1 1 A 51 51 GLU CB C 51 31.305 32.376 -1.071 1
1 541 . 14 1 1 A 51 51 GLU N N 51 121.175 120.862 0.313 1
1 542 . 14 1 1 A 52 52 LYS H H 52 8.180 7.691 0.489 1
1 543 . 14 1 1 A 52 52 LYS HA H 52 4.511 5.011 -0.500 1
1 552 . 14 1 1 A 52 52 LYS C C 52 174.000 174.725 -0.725 1
1 553 . 14 1 1 A 52 52 LYS CA C 52 54.952 54.332 0.620 1
1 554 . 14 1 1 A 52 52 LYS CB C 52 36.101 36.367 -0.266 1
1 558 . 14 1 1 A 52 52 LYS N N 52 125.598 122.496 3.102 1
1 559 . 14 1 1 A 53 53 SER H H 53 8.087 8.307 -0.220 1
1 560 . 14 1 1 A 53 53 SER HA H 53 5.637 5.177 0.460 1
1 563 . 14 1 1 A 53 53 SER C C 53 173.704 172.745 0.959 1
1 564 . 14 1 1 A 53 53 SER CA C 53 56.662 57.144 -0.482 1
1 565 . 14 1 1 A 53 53 SER CB C 53 67.219 65.871 1.348 1
1 566 . 14 1 1 A 53 53 SER N N 53 112.778 113.657 -0.879 1
1 567 . 14 1 1 A 54 54 VAL H H 54 8.940 8.603 0.337 1
1 568 . 14 1 1 A 54 54 VAL HA H 54 4.314 4.791 -0.477 1
1 576 . 14 1 1 A 54 54 VAL C C 54 172.304 174.242 -1.938 1
1 577 . 14 1 1 A 54 54 VAL CA C 54 60.506 59.375 1.131 1
1 578 . 14 1 1 A 54 54 VAL CB C 54 36.121 35.547 0.574 1
1 581 . 14 1 1 A 54 54 VAL N N 54 119.961 118.295 1.666 1
1 582 . 14 1 1 A 55 55 SER H H 55 8.180 8.818 -0.638 1
1 583 . 14 1 1 A 55 55 SER HA H 55 5.461 4.773 0.688 1
1 586 . 14 1 1 A 55 55 SER C C 55 174.870 174.509 0.361 1
1 587 . 14 1 1 A 55 55 SER CA C 55 56.065 58.974 -2.909 1
1 588 . 14 1 1 A 55 55 SER CB C 55 64.094 63.897 0.197 1
1 589 . 14 1 1 A 55 55 SER N N 55 117.963 120.671 -2.708 1
1 590 . 14 1 1 A 56 56 VAL H H 56 9.201 8.633 0.568 1
1 591 . 14 1 1 A 56 56 VAL HA H 56 4.780 4.667 0.113 1
1 599 . 14 1 1 A 56 56 VAL C C 56 173.446 174.125 -0.679 1
1 600 . 14 1 1 A 56 56 VAL CA C 56 58.760 59.170 -0.410 1
1 601 . 14 1 1 A 56 56 VAL CB C 56 35.954 35.660 0.294 1
1 604 . 14 1 1 A 56 56 VAL N N 56 127.863 125.538 2.325 1
1 605 . 14 1 1 A 57 57 PRO HA H 57 4.582 4.735 -0.153 1
1 612 . 14 1 1 A 57 57 PRO C C 57 176.776 178.404 -1.628 1
1 613 . 14 1 1 A 57 57 PRO CA C 57 64.226 63.381 0.845 1
1 614 . 14 1 1 A 57 57 PRO CB C 57 33.063 31.819 1.244 1
1 617 . 14 1 1 A 58 58 GLY H H 58 7.663 8.872 -1.209 1
1 618 . 14 1 1 A 58 58 GLY HA2 H 58 3.684 3.864 -0.180 1
1 619 . 14 1 1 A 58 58 GLY HA3 H 58 3.620 4.138 -0.518 1
1 620 . 14 1 1 A 58 58 GLY C C 58 173.755 175.826 -2.071 1
1 621 . 14 1 1 A 58 58 GLY CA C 58 46.877 47.419 -0.542 1
1 622 . 14 1 1 A 58 58 GLY N N 58 106.964 113.628 -6.664 1
1 623 . 14 1 1 A 59 59 ALA H H 59 7.900 8.174 -0.274 1
1 624 . 14 1 1 A 59 59 ALA HA H 59 4.516 4.094 0.422 1
1 628 . 14 1 1 A 59 59 ALA C C 59 178.104 177.586 0.518 1
1 629 . 14 1 1 A 59 59 ALA CA C 59 52.713 54.899 -2.186 1
1 630 . 14 1 1 A 59 59 ALA CB C 59 19.380 19.034 0.346 1
1 631 . 14 1 1 A 59 59 ALA N N 59 119.932 124.058 -4.126 1
1 632 . 14 1 1 A 60 60 ARG H H 60 8.306 7.949 0.357 1
1 633 . 14 1 1 A 60 60 ARG HA H 60 4.559 4.814 -0.255 1
1 640 . 14 1 1 A 60 60 ARG C C 60 174.842 175.402 -0.560 1
1 641 . 14 1 1 A 60 60 ARG CA C 60 55.357 54.994 0.363 1
1 642 . 14 1 1 A 60 60 ARG CB C 60 32.823 32.226 0.597 1
1 645 . 14 1 1 A 60 60 ARG N N 60 118.739 115.921 2.818 1
1 646 . 14 1 1 A 61 61 SER H H 61 8.229 8.756 -0.527 1
1 647 . 14 1 1 A 61 61 SER HA H 61 3.709 4.282 -0.573 1
1 650 . 14 1 1 A 61 61 SER C C 61 170.973 172.556 -1.583 1
1 651 . 14 1 1 A 61 61 SER CA C 61 56.045 57.431 -1.386 1
1 652 . 14 1 1 A 61 61 SER CB C 61 63.329 62.871 0.458 1
1 653 . 14 1 1 A 61 61 SER N N 61 110.956 112.717 -1.761 1
1 654 . 14 1 1 A 62 62 HIS H H 62 6.458 7.023 -0.565 1
1 655 . 14 1 1 A 62 62 HIS HA H 62 4.626 4.488 0.138 1
1 660 . 14 1 1 A 62 62 HIS C C 62 173.581 173.063 0.518 1
1 661 . 14 1 1 A 62 62 HIS CA C 62 54.494 53.540 0.954 1
1 662 . 14 1 1 A 62 62 HIS CB C 62 32.485 32.992 -0.507 1
1 665 . 14 1 1 A 62 62 HIS N N 62 113.571 115.936 -2.365 1
1 666 . 14 1 1 A 63 63 VAL H H 63 8.794 8.699 0.095 1
1 667 . 14 1 1 A 63 63 VAL HA H 63 4.325 4.436 -0.111 1
1 675 . 14 1 1 A 63 63 VAL C C 63 171.906 173.743 -1.837 1
1 676 . 14 1 1 A 63 63 VAL CA C 63 61.052 60.289 0.763 1
1 677 . 14 1 1 A 63 63 VAL CB C 63 34.800 34.664 0.136 1
1 680 . 14 1 1 A 63 63 VAL N N 63 118.122 118.966 -0.844 1
1 681 . 14 1 1 A 64 64 THR H H 64 8.316 8.627 -0.311 1
1 682 . 14 1 1 A 64 64 THR HA H 64 4.970 5.134 -0.164 1
1 687 . 14 1 1 A 64 64 THR C C 64 173.412 172.939 0.473 1
1 688 . 14 1 1 A 64 64 THR CA C 64 61.775 61.389 0.386 1
1 689 . 14 1 1 A 64 64 THR CB C 64 69.851 70.627 -0.776 1
1 691 . 14 1 1 A 64 64 THR N N 64 122.871 122.025 0.846 1
1 692 . 14 1 1 A 65 65 LEU H H 65 9.348 8.893 0.455 1
1 693 . 14 1 1 A 65 65 LEU HA H 65 4.584 4.792 -0.208 1
1 703 . 14 1 1 A 65 65 LEU C C 65 173.397 174.793 -1.396 1
1 704 . 14 1 1 A 65 65 LEU CA C 65 50.297 51.272 -0.975 1
1 705 . 14 1 1 A 65 65 LEU CB C 65 41.547 42.558 -1.011 1
1 709 . 14 1 1 A 65 65 LEU N N 65 129.778 126.484 3.294 1
1 710 . 14 1 1 A 66 66 PRO HA H 66 4.868 4.690 0.178 1
1 717 . 14 1 1 A 66 66 PRO C C 66 175.188 176.291 -1.103 1
1 718 . 14 1 1 A 66 66 PRO CA C 66 61.370 62.916 -1.546 1
1 719 . 14 1 1 A 66 66 PRO CB C 66 33.700 32.452 1.248 1
1 722 . 14 1 1 A 67 67 ASP H H 67 8.729 8.440 0.289 1
1 723 . 14 1 1 A 67 67 ASP HA H 67 4.333 4.104 0.229 1
1 726 . 14 1 1 A 67 67 ASP C C 67 175.824 174.720 1.104 1
1 727 . 14 1 1 A 67 67 ASP CA C 67 55.181 54.818 0.363 1
1 728 . 14 1 1 A 67 67 ASP CB C 67 39.225 39.466 -0.241 1
1 729 . 14 1 1 A 67 67 ASP N N 67 113.984 116.191 -2.207 1
1 730 . 14 1 1 A 68 68 LEU H H 68 8.599 7.642 0.957 1
1 731 . 14 1 1 A 68 68 LEU HA H 68 4.414 4.795 -0.381 1
1 741 . 14 1 1 A 68 68 LEU C C 68 176.487 176.170 0.317 1
1 742 . 14 1 1 A 68 68 LEU CA C 68 53.259 53.462 -0.203 1
1 743 . 14 1 1 A 68 68 LEU CB C 68 41.630 44.288 -2.658 1
1 747 . 14 1 1 A 68 68 LEU N N 68 118.102 118.217 -0.115 1
1 748 . 14 1 1 A 69 69 GLN H H 69 8.114 8.742 -0.628 1
1 749 . 14 1 1 A 69 69 GLN HA H 69 4.349 4.853 -0.504 1
1 756 . 14 1 1 A 69 69 GLN C C 69 175.669 175.246 0.423 1
1 757 . 14 1 1 A 69 69 GLN CA C 69 54.722 54.720 0.002 1
1 758 . 14 1 1 A 69 69 GLN CB C 69 30.803 31.230 -0.427 1
1 760 . 14 1 1 A 69 69 GLN N N 69 118.191 120.364 -2.173 1
1 762 . 14 1 1 A 70 70 ALA H H 70 8.240 8.673 -0.433 1
1 763 . 14 1 1 A 70 70 ALA HA H 70 4.835 5.113 -0.278 1
1 767 . 14 1 1 A 70 70 ALA C C 70 178.720 176.996 1.724 1
1 768 . 14 1 1 A 70 70 ALA CA C 70 52.501 50.475 2.026 1
1 769 . 14 1 1 A 70 70 ALA CB C 70 20.257 21.683 -1.426 1
1 770 . 14 1 1 A 70 70 ALA N N 70 124.989 121.861 3.128 1
1 771 . 14 1 1 A 71 71 ALA H H 71 8.003 8.471 -0.468 1
1 772 . 14 1 1 A 71 71 ALA HA H 71 3.974 3.884 0.090 1
1 776 . 14 1 1 A 71 71 ALA C C 71 176.118 176.021 0.097 1
1 777 . 14 1 1 A 71 71 ALA CA C 71 52.491 53.175 -0.684 1
1 778 . 14 1 1 A 71 71 ALA CB C 71 18.439 17.818 0.621 1
1 779 . 14 1 1 A 71 71 ALA N N 71 128.133 120.844 7.289 1
1 780 . 14 1 1 A 72 72 THR H H 72 8.391 7.633 0.758 1
1 781 . 14 1 1 A 72 72 THR HA H 72 4.563 4.893 -0.330 1
1 786 . 14 1 1 A 72 72 THR C C 72 172.643 173.902 -1.259 1
1 787 . 14 1 1 A 72 72 THR CA C 72 62.856 60.725 2.131 1
1 788 . 14 1 1 A 72 72 THR CB C 72 71.924 72.482 -0.558 1
1 790 . 14 1 1 A 72 72 THR N N 72 114.280 111.525 2.755 1
1 791 . 14 1 1 A 73 73 LYS H H 73 8.691 8.390 0.301 1
1 792 . 14 1 1 A 73 73 LYS HA H 73 4.846 4.765 0.081 1
1 801 . 14 1 1 A 73 73 LYS C C 73 176.405 175.527 0.878 1
1 802 . 14 1 1 A 73 73 LYS CA C 73 55.992 56.227 -0.235 1
1 803 . 14 1 1 A 73 73 LYS CB C 73 33.535 34.559 -1.024 1
1 807 . 14 1 1 A 73 73 LYS N N 73 125.989 124.490 1.499 1
1 808 . 14 1 1 A 74 74 TYR H H 74 9.569 8.789 0.780 1
1 809 . 14 1 1 A 74 74 TYR HA H 74 4.758 5.255 -0.497 1
1 816 . 14 1 1 A 74 74 TYR C C 74 173.567 174.878 -1.311 1
1 817 . 14 1 1 A 74 74 TYR CA C 74 58.778 56.703 2.075 1
1 818 . 14 1 1 A 74 74 TYR CB C 74 42.667 40.962 1.705 1
1 823 . 14 1 1 A 74 74 TYR N N 74 126.436 118.659 7.777 1
1 824 . 14 1 1 A 75 75 ARG H H 75 9.005 9.275 -0.270 1
1 825 . 14 1 1 A 75 75 ARG HA H 75 5.053 4.471 0.582 1
1 832 . 14 1 1 A 75 75 ARG C C 75 175.042 174.677 0.365 1
1 833 . 14 1 1 A 75 75 ARG CA C 75 55.027 55.975 -0.948 1
1 834 . 14 1 1 A 75 75 ARG CB C 75 32.284 30.260 2.024 1
1 837 . 14 1 1 A 75 75 ARG N N 75 121.560 126.301 -4.741 1
1 838 . 14 1 1 A 76 76 VAL H H 76 9.127 8.732 0.395 1
1 839 . 14 1 1 A 76 76 VAL HA H 76 4.977 4.471 0.506 1
1 847 . 14 1 1 A 76 76 VAL C C 76 173.144 175.343 -2.199 1
1 848 . 14 1 1 A 76 76 VAL CA C 76 60.876 62.796 -1.920 1
1 849 . 14 1 1 A 76 76 VAL CB C 76 34.922 31.444 3.478 1
1 852 . 14 1 1 A 76 76 VAL N N 76 127.571 126.540 1.031 1
1 853 . 14 1 1 A 77 77 LEU H H 77 9.083 9.186 -0.103 1
1 854 . 14 1 1 A 77 77 LEU HA H 77 5.350 5.534 -0.184 1
1 864 . 14 1 1 A 77 77 LEU C C 77 176.622 175.570 1.052 1
1 865 . 14 1 1 A 77 77 LEU CA C 77 53.911 53.496 0.415 1
1 866 . 14 1 1 A 77 77 LEU CB C 77 44.959 42.420 2.539 1
1 870 . 14 1 1 A 77 77 LEU N N 77 127.310 129.029 -1.719 1
1 871 . 14 1 1 A 78 78 VAL H H 78 8.918 8.732 0.186 1
1 872 . 14 1 1 A 78 78 VAL HA H 78 4.890 4.628 0.262 1
1 880 . 14 1 1 A 78 78 VAL C C 78 174.235 175.078 -0.843 1
1 881 . 14 1 1 A 78 78 VAL CA C 78 61.193 61.166 0.027 1
1 882 . 14 1 1 A 78 78 VAL CB C 78 34.718 33.069 1.649 1
1 885 . 14 1 1 A 78 78 VAL N N 78 119.228 126.649 -7.421 1
1 886 . 14 1 1 A 79 79 SER H H 79 8.598 8.564 0.034 1
1 887 . 14 1 1 A 79 79 SER HA H 79 4.725 4.934 -0.209 1
1 890 . 14 1 1 A 79 79 SER C C 79 172.877 172.717 0.160 1
1 891 . 14 1 1 A 79 79 SER CA C 79 56.680 57.525 -0.845 1
1 892 . 14 1 1 A 79 79 SER CB C 79 65.806 65.994 -0.188 1
1 893 . 14 1 1 A 79 79 SER N N 79 119.664 123.767 -4.103 1
1 894 . 14 1 1 A 80 80 ALA H H 80 8.939 8.131 0.808 1
1 895 . 14 1 1 A 80 80 ALA HA H 80 4.325 4.538 -0.213 1
1 899 . 14 1 1 A 80 80 ALA C C 80 174.050 176.488 -2.438 1
1 900 . 14 1 1 A 80 80 ALA CA C 80 51.126 51.166 -0.040 1
1 901 . 14 1 1 A 80 80 ALA CB C 80 21.990 19.688 2.302 1
1 902 . 14 1 1 A 80 80 ALA N N 80 126.283 127.759 -1.476 1
1 903 . 14 1 1 A 81 81 ILE H H 81 8.424 8.306 0.118 1
1 904 . 14 1 1 A 81 81 ILE HA H 81 4.116 4.552 -0.436 1
1 914 . 14 1 1 A 81 81 ILE C C 81 173.862 174.291 -0.429 1
1 915 . 14 1 1 A 81 81 ILE CA C 81 61.175 60.347 0.828 1
1 916 . 14 1 1 A 81 81 ILE CB C 81 36.015 38.543 -2.528 1
1 920 . 14 1 1 A 81 81 ILE N N 81 123.033 122.799 0.234 1
1 921 . 14 1 1 A 82 82 TYR H H 82 8.377 8.676 -0.299 1
1 922 . 14 1 1 A 82 82 TYR HA H 82 4.681 4.873 -0.192 1
1 929 . 14 1 1 A 82 82 TYR C C 82 176.146 176.336 -0.190 1
1 930 . 14 1 1 A 82 82 TYR CA C 82 56.309 56.536 -0.227 1
1 931 . 14 1 1 A 82 82 TYR CB C 82 40.734 42.459 -1.725 1
1 936 . 14 1 1 A 82 82 TYR N N 82 125.168 126.139 -0.971 1
1 937 . 14 1 1 A 83 83 ALA H H 83 9.437 9.116 0.321 1
1 938 . 14 1 1 A 83 83 ALA HA H 83 4.059 4.077 -0.018 1
1 942 . 14 1 1 A 83 83 ALA C C 83 179.312 180.079 -0.767 1
1 943 . 14 1 1 A 83 83 ALA CA C 83 55.729 55.615 0.114 1
1 944 . 14 1 1 A 83 83 ALA CB C 83 17.613 18.352 -0.739 1
1 945 . 14 1 1 A 83 83 ALA N N 83 125.234 124.793 0.441 1
1 946 . 14 1 1 A 84 84 ALA H H 84 7.823 7.925 -0.102 1
1 947 . 14 1 1 A 84 84 ALA HA H 84 4.434 4.120 0.314 1
1 951 . 14 1 1 A 84 84 ALA C C 84 176.808 177.577 -0.769 1
1 952 . 14 1 1 A 84 84 ALA CA C 84 51.936 54.708 -2.772 1
1 953 . 14 1 1 A 84 84 ALA CB C 84 19.514 19.765 -0.251 1
1 954 . 14 1 1 A 84 84 ALA N N 84 114.587 119.798 -5.211 1
1 955 . 14 1 1 A 85 85 GLY H H 85 7.366 7.390 -0.024 1
1 956 . 14 1 1 A 85 85 GLY HA2 H 85 4.362 4.029 0.333 1
1 957 . 14 1 1 A 85 85 GLY HA3 H 85 3.835 4.042 -0.207 1
1 958 . 14 1 1 A 85 85 GLY C C 85 171.544 172.130 -0.586 1
1 959 . 14 1 1 A 85 85 GLY CA C 85 44.576 45.704 -1.128 1
1 960 . 14 1 1 A 85 85 GLY N N 85 105.342 101.979 3.363 1
1 961 . 14 1 1 A 86 86 ARG H H 86 8.626 8.458 0.168 1
1 962 . 14 1 1 A 86 86 ARG HA H 86 5.263 4.855 0.408 1
1 969 . 14 1 1 A 86 86 ARG C C 86 176.925 176.047 0.878 1
1 970 . 14 1 1 A 86 86 ARG CA C 86 54.863 55.867 -1.004 1
1 971 . 14 1 1 A 86 86 ARG CB C 86 33.491 31.105 2.386 1
1 974 . 14 1 1 A 86 86 ARG N N 86 118.147 117.789 0.358 1
1 975 . 14 1 1 A 87 87 SER H H 87 9.496 8.863 0.633 1
1 976 . 14 1 1 A 87 87 SER HA H 87 4.747 4.651 0.096 1
1 979 . 14 1 1 A 87 87 SER C C 87 174.538 174.557 -0.019 1
1 980 . 14 1 1 A 87 87 SER CA C 87 58.284 57.686 0.598 1
1 981 . 14 1 1 A 87 87 SER CB C 87 67.271 65.630 1.641 1
1 982 . 14 1 1 A 87 87 SER N N 87 119.835 114.652 5.183 1
1 983 . 14 1 1 A 88 88 GLU H H 88 9.058 8.563 0.495 1
1 984 . 14 1 1 A 88 88 GLU HA H 88 4.342 4.218 0.124 1
1 989 . 14 1 1 A 88 88 GLU C C 88 176.157 175.969 0.188 1
1 990 . 14 1 1 A 88 88 GLU CA C 88 56.874 56.509 0.365 1
1 991 . 14 1 1 A 88 88 GLU CB C 88 30.350 30.049 0.301 1
1 993 . 14 1 1 A 88 88 GLU N N 88 119.700 120.042 -0.342 1
1 994 . 14 1 1 A 89 89 ALA H H 89 8.674 8.440 0.234 1
1 995 . 14 1 1 A 89 89 ALA HA H 89 4.918 5.457 -0.539 1
1 999 . 14 1 1 A 89 89 ALA C C 89 178.887 176.325 2.562 1
1 1000 . 14 1 1 A 89 89 ALA CA C 89 51.340 50.147 1.193 1
1 1001 . 14 1 1 A 89 89 ALA CB C 89 20.130 21.686 -1.556 1
1 1002 . 14 1 1 A 89 89 ALA N N 89 125.485 123.324 2.161 1
1 1003 . 14 1 1 A 90 90 VAL H H 90 8.621 8.758 -0.137 1
1 1004 . 14 1 1 A 90 90 VAL HA H 90 4.562 4.942 -0.380 1
1 1012 . 14 1 1 A 90 90 VAL C C 90 174.251 175.478 -1.227 1
1 1013 . 14 1 1 A 90 90 VAL CA C 90 60.365 60.493 -0.128 1
1 1014 . 14 1 1 A 90 90 VAL CB C 90 33.770 33.927 -0.157 1
1 1017 . 14 1 1 A 90 90 VAL N N 90 119.440 118.375 1.065 1
1 1018 . 14 1 1 A 91 91 SER H H 91 8.373 8.921 -0.548 1
1 1019 . 14 1 1 A 91 91 SER HA H 91 5.877 5.050 0.827 1
1 1022 . 14 1 1 A 91 91 SER C C 91 174.245 173.828 0.417 1
1 1023 . 14 1 1 A 91 91 SER CA C 91 56.109 57.027 -0.918 1
1 1024 . 14 1 1 A 91 91 SER CB C 91 67.620 65.036 2.584 1
1 1025 . 14 1 1 A 91 91 SER N N 91 116.084 121.031 -4.947 1
1 1026 . 14 1 1 A 92 92 ALA H H 92 8.900 8.780 0.120 1
1 1027 . 14 1 1 A 92 92 ALA HA H 92 4.681 4.918 -0.237 1
1 1031 . 14 1 1 A 92 92 ALA C C 92 175.187 176.028 -0.841 1
1 1032 . 14 1 1 A 92 92 ALA CA C 92 51.990 51.987 0.003 1
1 1033 . 14 1 1 A 92 92 ALA CB C 92 23.056 22.291 0.765 1
1 1034 . 14 1 1 A 92 92 ALA N N 92 123.885 121.968 1.917 1
1 1035 . 14 1 1 A 93 93 THR H H 93 8.466 8.784 -0.318 1
1 1036 . 14 1 1 A 93 93 THR HA H 93 5.623 4.947 0.676 1
1 1041 . 14 1 1 A 93 93 THR C C 93 174.366 174.335 0.031 1
1 1042 . 14 1 1 A 93 93 THR CA C 93 60.154 60.912 -0.758 1
1 1043 . 14 1 1 A 93 93 THR CB C 93 71.657 70.137 1.520 1
1 1045 . 14 1 1 A 93 93 THR N N 93 112.591 115.245 -2.654 1
1 1046 . 14 1 1 A 94 94 GLY H H 94 8.657 8.914 -0.257 1
1 1047 . 14 1 1 A 94 94 GLY HA2 H 94 4.483 4.203 0.280 1
1 1048 . 14 1 1 A 94 94 GLY HA3 H 94 3.625 4.207 -0.582 1
1 1049 . 14 1 1 A 94 94 GLY C C 94 170.518 173.470 -2.952 1
1 1050 . 14 1 1 A 94 94 GLY CA C 94 44.849 45.450 -0.601 1
1 1051 . 14 1 1 A 94 94 GLY N N 94 111.375 111.442 -0.067 1
1 1052 . 14 1 1 A 95 95 GLN H H 95 8.667 8.705 -0.038 1
1 1053 . 14 1 1 A 95 95 GLN HA H 95 5.491 4.642 0.849 1
1 1060 . 14 1 1 A 95 95 GLN C C 95 176.226 175.334 0.892 1
1 1061 . 14 1 1 A 95 95 GLN CA C 95 54.000 56.525 -2.525 1
1 1062 . 14 1 1 A 95 95 GLN CB C 95 32.822 29.396 3.426 1
1 1064 . 14 1 1 A 95 95 GLN N N 95 120.893 126.510 -5.617 1
1 1066 . 14 1 1 A 96 96 THR H H 96 8.609 8.779 -0.170 1
1 1067 . 14 1 1 A 96 96 THR HA H 96 4.384 4.453 -0.069 1
1 1072 . 14 1 1 A 96 96 THR C C 96 175.194 174.337 0.857 1
1 1073 . 14 1 1 A 96 96 THR CA C 96 60.783 61.574 -0.791 1
1 1074 . 14 1 1 A 96 96 THR CB C 96 70.198 71.209 -1.011 1
1 1076 . 14 1 1 A 96 96 THR N N 96 115.777 117.011 -1.234 1
1 1077 . 14 1 1 A 97 97 ALA H H 97 8.009 8.404 -0.395 1
1 1078 . 14 1 1 A 97 97 ALA HA H 97 4.186 4.391 -0.205 1
1 1082 . 14 1 1 A 97 97 ALA C C 97 176.174 177.782 -1.608 1
1 1083 . 14 1 1 A 97 97 ALA CA C 97 52.077 52.083 -0.006 1
1 1084 . 14 1 1 A 97 97 ALA CB C 97 19.001 19.185 -0.184 1
1 1085 . 14 1 1 A 97 97 ALA N N 97 120.015 123.162 -3.147 1
1 1086 . 14 1 1 A 98 98 CYS H H 98 8.239 8.860 -0.621 1
1 1087 . 14 1 1 A 98 98 CYS HA H 98 4.705 4.611 0.094 1
1 1090 . 14 1 1 A 98 98 CYS C C 98 173.203 175.094 -1.891 1
1 1091 . 14 1 1 A 98 98 CYS CA C 98 56.644 58.372 -1.728 1
1 1092 . 14 1 1 A 98 98 CYS CB C 98 27.357 26.787 0.570 1
1 1093 . 14 1 1 A 98 98 CYS N N 98 116.874 120.874 -4.000 1
1 1094 . 14 1 1 A 99 99 PRO HA H 99 4.421 4.450 -0.029 1
1 1101 . 14 1 1 A 99 99 PRO CA C 99 63.337 64.796 -1.459 1
1 1102 . 14 1 1 A 99 99 PRO CB C 99 32.132 32.178 -0.046 1
1 1105 . 14 1 1 A 100 100 SER H H 100 8.463 7.643 0.820 1
1 1106 . 14 1 1 A 100 100 SER HA H 100 4.470 4.845 -0.375 1
1 1109 . 14 1 1 A 100 100 SER CA C 100 58.453 56.689 1.764 1
1 1110 . 14 1 1 A 100 100 SER CB C 100 64.023 65.620 -1.597 1
1 1111 . 14 1 1 A 100 100 SER N N 100 116.426 111.869 4.557 1
1 1112 . 14 1 1 A 101 101 GLY H H 101 8.237 8.369 -0.132 1
1 1113 . 14 1 1 A 101 101 GLY HA2 H 101 4.165 4.185 -0.020 1
1 1114 . 14 1 1 A 101 101 GLY HA3 H 101 4.100 4.186 -0.086 1
1 1115 . 14 1 1 A 101 101 GLY CA C 101 44.647 45.508 -0.861 1
1 1116 . 14 1 1 A 101 101 GLY N N 101 110.731 112.240 -1.509 1
1 1117 . 14 1 1 A 102 102 PRO HA H 102 4.484 4.485 -0.001 1
1 1123 . 14 1 1 A 102 102 PRO CA C 102 63.069 64.043 -0.974 1
1 1124 . 14 1 1 A 102 102 PRO CB C 102 32.189 31.752 0.437 1
1 1127 . 14 1 1 A 103 103 SER H H 103 8.540 7.820 0.720 1
1 1 . 15 1 1 A 5 5 SER N N 5 119.122 114.529 4.593 1
1 2 . 15 1 1 A 6 6 SER N N 6 123.945 113.941 10.004 1
1 3 . 15 1 1 A 7 7 GLY HA2 H 7 3.813 3.771 0.042 1
1 4 . 15 1 1 A 7 7 GLY HA3 H 7 3.813 3.794 0.019 1
1 5 . 15 1 1 A 7 7 GLY CA C 7 45.375 46.757 -1.382 1
1 6 . 15 1 1 A 8 8 ARG H H 8 7.999 7.533 0.466 1
1 7 . 15 1 1 A 8 8 ARG HA H 8 3.712 3.893 -0.181 1
1 14 . 15 1 1 A 8 8 ARG CA C 8 54.185 54.450 -0.265 1
1 15 . 15 1 1 A 8 8 ARG CB C 8 29.555 31.932 -2.377 1
1 18 . 15 1 1 A 8 8 ARG N N 8 121.209 119.914 1.295 1
1 19 . 15 1 1 A 9 9 SER H H 9 7.810 8.531 -0.721 1
1 20 . 15 1 1 A 9 9 SER HA H 9 4.725 5.036 -0.311 1
1 23 . 15 1 1 A 9 9 SER CA C 9 58.455 54.434 4.021 1
1 24 . 15 1 1 A 9 9 SER CB C 9 62.966 65.216 -2.250 1
1 25 . 15 1 1 A 9 9 SER N N 9 118.072 119.776 -1.704 1
1 26 . 15 1 1 A 10 10 PRO HA H 10 5.182 5.053 0.129 1
1 33 . 15 1 1 A 10 10 PRO CA C 10 61.759 61.311 0.448 1
1 34 . 15 1 1 A 10 10 PRO CB C 10 30.280 31.627 -1.347 1
1 37 . 15 1 1 A 11 11 PRO HA H 11 4.567 4.659 -0.092 1
1 44 . 15 1 1 A 11 11 PRO C C 11 173.556 176.019 -2.463 1
1 45 . 15 1 1 A 11 11 PRO CA C 11 62.674 62.642 0.032 1
1 46 . 15 1 1 A 11 11 PRO CB C 11 33.026 31.502 1.524 1
1 49 . 15 1 1 A 12 12 SER H H 12 8.427 8.645 -0.218 1
1 50 . 15 1 1 A 12 12 SER HA H 12 4.890 4.982 -0.092 1
1 53 . 15 1 1 A 12 12 SER C C 12 173.115 173.788 -0.673 1
1 54 . 15 1 1 A 12 12 SER CA C 12 56.556 57.152 -0.596 1
1 55 . 15 1 1 A 12 12 SER CB C 12 66.882 66.083 0.799 1
1 56 . 15 1 1 A 12 12 SER N N 12 111.345 118.131 -6.786 1
1 57 . 15 1 1 A 13 13 ASN H H 13 8.973 8.800 0.173 1
1 58 . 15 1 1 A 13 13 ASN HA H 13 4.318 4.257 0.061 1
1 63 . 15 1 1 A 13 13 ASN C C 13 173.850 174.686 -0.836 1
1 64 . 15 1 1 A 13 13 ASN CA C 13 53.928 54.129 -0.201 1
1 65 . 15 1 1 A 13 13 ASN CB C 13 37.365 36.951 0.414 1
1 66 . 15 1 1 A 13 13 ASN N N 13 115.970 116.837 -0.867 1
1 68 . 15 1 1 A 14 14 LEU H H 14 8.223 8.115 0.108 1
1 69 . 15 1 1 A 14 14 LEU HA H 14 4.857 4.375 0.482 1
1 79 . 15 1 1 A 14 14 LEU C C 14 176.725 176.849 -0.124 1
1 80 . 15 1 1 A 14 14 LEU CA C 14 56.115 56.215 -0.100 1
1 81 . 15 1 1 A 14 14 LEU CB C 14 42.621 41.890 0.731 1
1 85 . 15 1 1 A 14 14 LEU N N 14 119.681 119.893 -0.212 1
1 86 . 15 1 1 A 15 15 ALA H H 15 9.364 8.519 0.845 1
1 87 . 15 1 1 A 15 15 ALA HA H 15 4.736 5.038 -0.302 1
1 91 . 15 1 1 A 15 15 ALA C C 15 175.056 175.494 -0.438 1
1 92 . 15 1 1 A 15 15 ALA CA C 15 51.496 50.713 0.783 1
1 93 . 15 1 1 A 15 15 ALA CB C 15 22.285 20.727 1.558 1
1 94 . 15 1 1 A 15 15 ALA N N 15 130.359 126.267 4.092 1
1 95 . 15 1 1 A 16 16 LEU H H 16 8.448 9.085 -0.637 1
1 96 . 15 1 1 A 16 16 LEU HA H 16 5.385 5.072 0.313 1
1 106 . 15 1 1 A 16 16 LEU C C 16 175.868 175.887 -0.019 1
1 107 . 15 1 1 A 16 16 LEU CA C 16 53.224 53.852 -0.628 1
1 108 . 15 1 1 A 16 16 LEU CB C 16 45.061 42.413 2.648 1
1 112 . 15 1 1 A 16 16 LEU N N 16 120.470 124.124 -3.654 1
1 113 . 15 1 1 A 17 17 ALA H H 17 8.737 9.439 -0.702 1
1 114 . 15 1 1 A 17 17 ALA HA H 17 4.620 5.381 -0.761 1
1 118 . 15 1 1 A 17 17 ALA C C 17 175.371 175.193 0.178 1
1 119 . 15 1 1 A 17 17 ALA CA C 17 51.249 50.107 1.142 1
1 120 . 15 1 1 A 17 17 ALA CB C 17 22.570 21.715 0.855 1
1 121 . 15 1 1 A 17 17 ALA N N 17 124.938 128.731 -3.793 1
1 122 . 15 1 1 A 18 18 SER H H 18 8.675 8.832 -0.157 1
1 123 . 15 1 1 A 18 18 SER HA H 18 5.021 4.898 0.123 1
1 126 . 15 1 1 A 18 18 SER C C 18 174.678 173.570 1.108 1
1 127 . 15 1 1 A 18 18 SER CA C 18 57.244 56.421 0.823 1
1 128 . 15 1 1 A 18 18 SER CB C 18 64.200 64.160 0.040 1
1 129 . 15 1 1 A 18 18 SER N N 18 113.933 118.215 -4.282 1
1 130 . 15 1 1 A 19 19 GLU H H 19 9.743 8.779 0.964 1
1 131 . 15 1 1 A 19 19 GLU HA H 19 4.466 4.601 -0.135 1
1 136 . 15 1 1 A 19 19 GLU C C 19 176.368 176.315 0.053 1
1 137 . 15 1 1 A 19 19 GLU CA C 19 56.295 57.469 -1.174 1
1 138 . 15 1 1 A 19 19 GLU CB C 19 31.532 31.869 -0.337 1
1 140 . 15 1 1 A 19 19 GLU N N 19 127.234 125.402 1.832 1
1 141 . 15 1 1 A 20 20 THR H H 20 7.759 7.655 0.104 1
1 142 . 15 1 1 A 20 20 THR HA H 20 4.935 4.714 0.221 1
1 147 . 15 1 1 A 20 20 THR C C 20 171.770 173.896 -2.126 1
1 148 . 15 1 1 A 20 20 THR CA C 20 58.337 58.262 0.075 1
1 149 . 15 1 1 A 20 20 THR CB C 20 69.869 71.764 -1.895 1
1 151 . 15 1 1 A 20 20 THR N N 20 109.600 111.329 -1.729 1
1 152 . 15 1 1 A 21 21 PRO HA H 21 4.587 4.473 0.114 1
1 159 . 15 1 1 A 21 21 PRO C C 21 173.647 176.516 -2.869 1
1 160 . 15 1 1 A 21 21 PRO CA C 21 64.332 64.049 0.283 1
1 161 . 15 1 1 A 21 21 PRO CB C 21 32.380 31.475 0.905 1
1 164 . 15 1 1 A 22 22 ASP H H 22 7.420 8.030 -0.610 1
1 165 . 15 1 1 A 22 22 ASP HA H 22 4.648 4.909 -0.261 1
1 168 . 15 1 1 A 22 22 ASP C C 22 175.838 175.634 0.204 1
1 169 . 15 1 1 A 22 22 ASP CA C 22 51.037 54.331 -3.294 1
1 170 . 15 1 1 A 22 22 ASP CB C 22 42.177 42.976 -0.799 1
1 171 . 15 1 1 A 22 22 ASP N N 22 107.201 117.649 -10.448 1
1 172 . 15 1 1 A 23 23 SER H H 23 7.729 7.709 0.020 1
1 173 . 15 1 1 A 23 23 SER HA H 23 5.474 5.334 0.140 1
1 176 . 15 1 1 A 23 23 SER C C 23 171.887 172.459 -0.572 1
1 177 . 15 1 1 A 23 23 SER CA C 23 57.481 57.336 0.145 1
1 178 . 15 1 1 A 23 23 SER CB C 23 68.168 65.920 2.248 1
1 179 . 15 1 1 A 23 23 SER N N 23 112.046 111.987 0.059 1
1 180 . 15 1 1 A 24 24 LEU H H 24 7.884 8.186 -0.302 1
1 181 . 15 1 1 A 24 24 LEU HA H 24 4.769 4.725 0.044 1
1 191 . 15 1 1 A 24 24 LEU C C 24 174.542 174.199 0.343 1
1 192 . 15 1 1 A 24 24 LEU CA C 24 53.576 54.128 -0.552 1
1 193 . 15 1 1 A 24 24 LEU CB C 24 47.616 45.397 2.219 1
1 197 . 15 1 1 A 24 24 LEU N N 24 119.324 123.395 -4.071 1
1 198 . 15 1 1 A 25 25 GLN H H 25 9.356 8.974 0.382 1
1 199 . 15 1 1 A 25 25 GLN HA H 25 4.747 4.566 0.181 1
1 206 . 15 1 1 A 25 25 GLN C C 25 174.824 175.153 -0.329 1
1 207 . 15 1 1 A 25 25 GLN CA C 25 55.533 55.834 -0.301 1
1 208 . 15 1 1 A 25 25 GLN CB C 25 29.759 29.808 -0.049 1
1 210 . 15 1 1 A 25 25 GLN N N 25 124.019 127.632 -3.613 1
1 212 . 15 1 1 A 26 26 VAL H H 26 9.020 8.450 0.570 1
1 213 . 15 1 1 A 26 26 VAL HA H 26 4.824 4.953 -0.129 1
1 221 . 15 1 1 A 26 26 VAL C C 26 174.556 173.348 1.208 1
1 222 . 15 1 1 A 26 26 VAL CA C 26 60.629 60.101 0.528 1
1 223 . 15 1 1 A 26 26 VAL CB C 26 33.355 35.270 -1.915 1
1 226 . 15 1 1 A 26 26 VAL N N 26 127.649 123.631 4.018 1
1 227 . 15 1 1 A 27 27 SER H H 27 9.056 8.858 0.198 1
1 228 . 15 1 1 A 27 27 SER HA H 27 4.857 4.980 -0.123 1
1 231 . 15 1 1 A 27 27 SER C C 27 172.328 172.424 -0.096 1
1 232 . 15 1 1 A 27 27 SER CA C 27 57.138 55.662 1.476 1
1 233 . 15 1 1 A 27 27 SER CB C 27 66.864 66.242 0.622 1
1 234 . 15 1 1 A 27 27 SER N N 27 119.826 122.425 -2.599 1
1 235 . 15 1 1 A 28 28 TRP H H 28 7.584 8.200 -0.616 1
1 236 . 15 1 1 A 28 28 TRP HA H 28 5.022 5.299 -0.277 1
1 245 . 15 1 1 A 28 28 TRP C C 28 174.055 172.875 1.180 1
1 246 . 15 1 1 A 28 28 TRP CA C 28 56.609 55.631 0.978 1
1 247 . 15 1 1 A 28 28 TRP CB C 28 29.814 31.195 -1.381 1
1 253 . 15 1 1 A 28 28 TRP N N 28 115.280 119.842 -4.562 1
1 255 . 15 1 1 A 29 29 THR H H 29 9.293 8.875 0.418 1
1 256 . 15 1 1 A 29 29 THR HA H 29 4.865 4.808 0.057 1
1 261 . 15 1 1 A 29 29 THR C C 29 173.203 173.667 -0.464 1
1 262 . 15 1 1 A 29 29 THR CA C 29 59.889 59.515 0.374 1
1 263 . 15 1 1 A 29 29 THR CB C 29 69.774 69.743 0.031 1
1 265 . 15 1 1 A 29 29 THR N N 29 117.164 115.302 1.862 1
1 266 . 15 1 1 A 30 30 PRO HA H 30 4.809 4.840 -0.031 1
1 273 . 15 1 1 A 30 30 PRO CA C 30 61.701 62.065 -0.364 1
1 274 . 15 1 1 A 30 30 PRO CB C 30 32.114 32.635 -0.521 1
1 277 . 15 1 1 A 31 31 PRO HA H 31 4.703 4.745 -0.042 1
1 284 . 15 1 1 A 31 31 PRO C C 31 175.384 176.417 -1.033 1
1 285 . 15 1 1 A 31 31 PRO CA C 31 61.793 62.370 -0.577 1
1 286 . 15 1 1 A 31 31 PRO CB C 31 32.822 33.418 -0.596 1
1 289 . 15 1 1 A 32 32 LEU H H 32 8.312 8.152 0.160 1
1 290 . 15 1 1 A 32 32 LEU HA H 32 4.333 4.398 -0.065 1
1 300 . 15 1 1 A 32 32 LEU C C 32 177.793 177.831 -0.038 1
1 301 . 15 1 1 A 32 32 LEU CA C 32 55.851 55.999 -0.148 1
1 302 . 15 1 1 A 32 32 LEU CB C 32 41.968 42.923 -0.955 1
1 306 . 15 1 1 A 32 32 LEU N N 32 119.044 117.897 1.147 1
1 307 . 15 1 1 A 33 33 GLY H H 33 8.147 7.828 0.319 1
1 308 . 15 1 1 A 33 33 GLY HA2 H 33 4.210 4.051 0.159 1
1 309 . 15 1 1 A 33 33 GLY HA3 H 33 4.051 4.082 -0.031 1
1 310 . 15 1 1 A 33 33 GLY C C 33 172.971 172.718 0.253 1
1 311 . 15 1 1 A 33 33 GLY CA C 33 44.216 45.089 -0.873 1
1 312 . 15 1 1 A 33 33 GLY N N 33 107.917 108.456 -0.539 1
1 313 . 15 1 1 A 34 34 ARG H H 34 8.671 8.584 0.087 1
1 314 . 15 1 1 A 34 34 ARG HA H 34 4.405 4.541 -0.136 1
1 321 . 15 1 1 A 34 34 ARG C C 34 174.517 175.275 -0.758 1
1 322 . 15 1 1 A 34 34 ARG CA C 34 55.339 55.781 -0.442 1
1 323 . 15 1 1 A 34 34 ARG CB C 34 29.137 30.668 -1.531 1
1 326 . 15 1 1 A 34 34 ARG N N 34 121.152 122.373 -1.221 1
1 327 . 15 1 1 A 35 35 VAL H H 35 7.825 8.750 -0.925 1
1 328 . 15 1 1 A 35 35 VAL HA H 35 3.060 4.505 -1.445 1
1 336 . 15 1 1 A 35 35 VAL C C 35 176.613 174.943 1.670 1
1 337 . 15 1 1 A 35 35 VAL CA C 35 62.505 60.748 1.757 1
1 338 . 15 1 1 A 35 35 VAL CB C 35 32.534 32.361 0.173 1
1 341 . 15 1 1 A 35 35 VAL N N 35 126.379 127.509 -1.130 1
1 342 . 15 1 1 A 36 36 LEU H H 36 8.874 8.274 0.600 1
1 343 . 15 1 1 A 36 36 LEU HA H 36 4.176 4.107 0.069 1
1 353 . 15 1 1 A 36 36 LEU C C 36 177.540 176.814 0.726 1
1 354 . 15 1 1 A 36 36 LEU CA C 36 57.050 57.579 -0.529 1
1 355 . 15 1 1 A 36 36 LEU CB C 36 41.723 42.490 -0.767 1
1 359 . 15 1 1 A 36 36 LEU N N 36 127.956 130.785 -2.829 1
1 360 . 15 1 1 A 37 37 HIS H H 37 7.231 7.496 -0.265 1
1 361 . 15 1 1 A 37 37 HIS HA H 37 4.615 5.034 -0.419 1
1 366 . 15 1 1 A 37 37 HIS C C 37 171.558 171.902 -0.344 1
1 367 . 15 1 1 A 37 37 HIS CA C 37 55.005 53.820 1.185 1
1 368 . 15 1 1 A 37 37 HIS CB C 37 32.039 33.391 -1.352 1
1 371 . 15 1 1 A 37 37 HIS N N 37 112.948 112.414 0.534 1
1 372 . 15 1 1 A 38 38 TYR H H 38 9.836 8.908 0.928 1
1 373 . 15 1 1 A 38 38 TYR HA H 38 5.165 4.860 0.305 1
1 378 . 15 1 1 A 38 38 TYR C C 38 174.934 174.927 0.007 1
1 379 . 15 1 1 A 38 38 TYR CA C 38 56.698 56.718 -0.020 1
1 380 . 15 1 1 A 38 38 TYR CB C 38 40.251 38.723 1.528 1
1 385 . 15 1 1 A 38 38 TYR N N 38 116.581 117.536 -0.955 1
1 386 . 15 1 1 A 39 39 TRP H H 39 8.984 8.635 0.349 1
1 387 . 15 1 1 A 39 39 TRP HA H 39 5.307 4.853 0.454 1
1 396 . 15 1 1 A 39 39 TRP C C 39 173.996 175.074 -1.078 1
1 397 . 15 1 1 A 39 39 TRP CA C 39 55.798 57.280 -1.482 1
1 398 . 15 1 1 A 39 39 TRP CB C 39 31.998 29.451 2.547 1
1 404 . 15 1 1 A 39 39 TRP N N 39 124.201 128.452 -4.251 1
1 406 . 15 1 1 A 40 40 LEU H H 40 8.695 8.330 0.365 1
1 407 . 15 1 1 A 40 40 LEU HA H 40 5.636 4.926 0.710 1
1 417 . 15 1 1 A 40 40 LEU C C 40 175.416 175.289 0.127 1
1 418 . 15 1 1 A 40 40 LEU CA C 40 54.030 53.678 0.352 1
1 419 . 15 1 1 A 40 40 LEU CB C 40 44.846 44.473 0.373 1
1 423 . 15 1 1 A 40 40 LEU N N 40 132.690 129.726 2.964 1
1 424 . 15 1 1 A 41 41 THR H H 41 9.103 9.094 0.009 1
1 425 . 15 1 1 A 41 41 THR HA H 41 5.341 5.073 0.268 1
1 430 . 15 1 1 A 41 41 THR C C 41 173.042 173.407 -0.365 1
1 431 . 15 1 1 A 41 41 THR CA C 41 60.118 60.362 -0.244 1
1 432 . 15 1 1 A 41 41 THR CB C 41 71.493 70.977 0.516 1
1 434 . 15 1 1 A 41 41 THR N N 41 117.923 116.063 1.860 1
1 435 . 15 1 1 A 42 42 TYR H H 42 9.073 8.839 0.234 1
1 436 . 15 1 1 A 42 42 TYR HA H 42 5.915 5.984 -0.069 1
1 443 . 15 1 1 A 42 42 TYR C C 42 173.637 174.275 -0.638 1
1 444 . 15 1 1 A 42 42 TYR CA C 42 55.146 55.015 0.131 1
1 445 . 15 1 1 A 42 42 TYR CB C 42 42.124 41.920 0.204 1
1 450 . 15 1 1 A 42 42 TYR N N 42 118.958 121.373 -2.415 1
1 451 . 15 1 1 A 43 43 ALA H H 43 8.508 8.725 -0.217 1
1 452 . 15 1 1 A 43 43 ALA HA H 43 5.099 4.587 0.512 1
1 456 . 15 1 1 A 43 43 ALA C C 43 173.859 176.719 -2.860 1
1 457 . 15 1 1 A 43 43 ALA CA C 43 50.156 50.060 0.096 1
1 458 . 15 1 1 A 43 43 ALA CB C 43 21.455 22.226 -0.771 1
1 459 . 15 1 1 A 43 43 ALA N N 43 122.386 121.714 0.672 1
1 460 . 15 1 1 A 44 44 PRO HA H 44 4.079 4.220 -0.141 1
1 467 . 15 1 1 A 44 44 PRO C C 44 178.191 176.532 1.659 1
1 468 . 15 1 1 A 44 44 PRO CA C 44 63.194 63.550 -0.356 1
1 469 . 15 1 1 A 44 44 PRO CB C 44 31.525 31.901 -0.376 1
1 472 . 15 1 1 A 45 45 ALA H H 45 8.934 7.946 0.988 1
1 473 . 15 1 1 A 45 45 ALA HA H 45 3.965 4.075 -0.110 1
1 477 . 15 1 1 A 45 45 ALA C C 45 177.272 177.219 0.053 1
1 478 . 15 1 1 A 45 45 ALA CA C 45 53.911 53.210 0.701 1
1 479 . 15 1 1 A 45 45 ALA CB C 45 18.221 17.193 1.028 1
1 480 . 15 1 1 A 45 45 ALA N N 45 129.632 119.677 9.955 1
1 481 . 15 1 1 A 46 46 SER H H 46 8.311 8.430 -0.119 1
1 482 . 15 1 1 A 46 46 SER HA H 46 4.193 4.566 -0.373 1
1 485 . 15 1 1 A 46 46 SER C C 46 175.546 175.231 0.315 1
1 486 . 15 1 1 A 46 46 SER CA C 46 58.584 59.177 -0.593 1
1 487 . 15 1 1 A 46 46 SER CB C 46 63.543 65.281 -1.738 1
1 488 . 15 1 1 A 46 46 SER N N 46 111.878 111.123 0.755 1
1 489 . 15 1 1 A 47 47 GLY H H 47 7.743 7.937 -0.194 1
1 490 . 15 1 1 A 47 47 GLY HA2 H 47 4.203 3.985 0.218 1
1 491 . 15 1 1 A 47 47 GLY HA3 H 47 3.840 3.989 -0.149 1
1 492 . 15 1 1 A 47 47 GLY C C 47 174.463 174.961 -0.498 1
1 493 . 15 1 1 A 47 47 GLY CA C 47 45.501 45.269 0.232 1
1 494 . 15 1 1 A 47 47 GLY N N 47 108.526 109.481 -0.955 1
1 495 . 15 1 1 A 48 48 LEU H H 48 7.794 8.139 -0.345 1
1 496 . 15 1 1 A 48 48 LEU HA H 48 4.448 4.148 0.300 1
1 506 . 15 1 1 A 48 48 LEU C C 48 176.668 177.602 -0.934 1
1 507 . 15 1 1 A 48 48 LEU CA C 48 54.470 57.767 -3.297 1
1 508 . 15 1 1 A 48 48 LEU CB C 48 41.445 41.239 0.206 1
1 512 . 15 1 1 A 48 48 LEU N N 48 120.348 119.028 1.320 1
1 513 . 15 1 1 A 49 49 GLY H H 49 7.889 7.642 0.247 1
1 514 . 15 1 1 A 49 49 GLY HA2 H 49 4.266 4.040 0.226 1
1 515 . 15 1 1 A 49 49 GLY HA3 H 49 3.965 4.048 -0.083 1
1 516 . 15 1 1 A 49 49 GLY C C 49 170.653 173.122 -2.469 1
1 517 . 15 1 1 A 49 49 GLY CA C 49 44.151 44.406 -0.255 1
1 518 . 15 1 1 A 49 49 GLY N N 49 108.892 108.194 0.698 1
1 519 . 15 1 1 A 50 50 PRO HA H 50 4.483 4.527 -0.044 1
1 526 . 15 1 1 A 50 50 PRO C C 50 176.143 175.944 0.199 1
1 527 . 15 1 1 A 50 50 PRO CA C 50 62.639 62.838 -0.199 1
1 528 . 15 1 1 A 50 50 PRO CB C 50 32.575 32.293 0.282 1
1 531 . 15 1 1 A 51 51 GLU H H 51 8.463 8.573 -0.110 1
1 532 . 15 1 1 A 51 51 GLU HA H 51 4.560 4.558 0.002 1
1 537 . 15 1 1 A 51 51 GLU C C 51 175.792 175.724 0.068 1
1 538 . 15 1 1 A 51 51 GLU CA C 51 55.516 55.523 -0.007 1
1 539 . 15 1 1 A 51 51 GLU CB C 51 31.305 31.163 0.142 1
1 541 . 15 1 1 A 51 51 GLU N N 51 121.175 122.182 -1.007 1
1 542 . 15 1 1 A 52 52 LYS H H 52 8.180 8.059 0.121 1
1 543 . 15 1 1 A 52 52 LYS HA H 52 4.511 4.600 -0.089 1
1 552 . 15 1 1 A 52 52 LYS C C 52 174.000 175.612 -1.612 1
1 553 . 15 1 1 A 52 52 LYS CA C 52 54.952 55.007 -0.055 1
1 554 . 15 1 1 A 52 52 LYS CB C 52 36.101 33.648 2.453 1
1 558 . 15 1 1 A 52 52 LYS N N 52 125.598 126.916 -1.318 1
1 559 . 15 1 1 A 53 53 SER H H 53 8.087 8.409 -0.322 1
1 560 . 15 1 1 A 53 53 SER HA H 53 5.637 4.932 0.705 1
1 563 . 15 1 1 A 53 53 SER C C 53 173.704 173.043 0.661 1
1 564 . 15 1 1 A 53 53 SER CA C 53 56.662 57.473 -0.811 1
1 565 . 15 1 1 A 53 53 SER CB C 53 67.219 65.626 1.593 1
1 566 . 15 1 1 A 53 53 SER N N 53 112.778 115.018 -2.240 1
1 567 . 15 1 1 A 54 54 VAL H H 54 8.940 8.714 0.226 1
1 568 . 15 1 1 A 54 54 VAL HA H 54 4.314 4.903 -0.589 1
1 576 . 15 1 1 A 54 54 VAL C C 54 172.304 175.096 -2.792 1
1 577 . 15 1 1 A 54 54 VAL CA C 54 60.506 59.511 0.995 1
1 578 . 15 1 1 A 54 54 VAL CB C 54 36.121 34.400 1.721 1
1 581 . 15 1 1 A 54 54 VAL N N 54 119.961 120.777 -0.816 1
1 582 . 15 1 1 A 55 55 SER H H 55 8.180 8.940 -0.760 1
1 583 . 15 1 1 A 55 55 SER HA H 55 5.461 5.490 -0.029 1
1 586 . 15 1 1 A 55 55 SER C C 55 174.870 174.031 0.839 1
1 587 . 15 1 1 A 55 55 SER CA C 55 56.065 56.252 -0.187 1
1 588 . 15 1 1 A 55 55 SER CB C 55 64.094 65.631 -1.537 1
1 589 . 15 1 1 A 55 55 SER N N 55 117.963 116.780 1.183 1
1 590 . 15 1 1 A 56 56 VAL H H 56 9.201 8.761 0.440 1
1 591 . 15 1 1 A 56 56 VAL HA H 56 4.780 4.718 0.062 1
1 599 . 15 1 1 A 56 56 VAL C C 56 173.446 175.881 -2.435 1
1 600 . 15 1 1 A 56 56 VAL CA C 56 58.760 58.940 -0.180 1
1 601 . 15 1 1 A 56 56 VAL CB C 56 35.954 35.842 0.112 1
1 604 . 15 1 1 A 56 56 VAL N N 56 127.863 122.061 5.802 1
1 605 . 15 1 1 A 57 57 PRO HA H 57 4.582 4.445 0.137 1
1 612 . 15 1 1 A 57 57 PRO C C 57 176.776 178.301 -1.525 1
1 613 . 15 1 1 A 57 57 PRO CA C 57 64.226 63.533 0.693 1
1 614 . 15 1 1 A 57 57 PRO CB C 57 33.063 32.173 0.890 1
1 617 . 15 1 1 A 58 58 GLY H H 58 7.663 8.096 -0.433 1
1 618 . 15 1 1 A 58 58 GLY HA2 H 58 3.684 3.726 -0.042 1
1 619 . 15 1 1 A 58 58 GLY HA3 H 58 3.620 3.802 -0.182 1
1 620 . 15 1 1 A 58 58 GLY C C 58 173.755 175.606 -1.851 1
1 621 . 15 1 1 A 58 58 GLY CA C 58 46.877 45.589 1.288 1
1 622 . 15 1 1 A 58 58 GLY N N 58 106.964 110.160 -3.196 1
1 623 . 15 1 1 A 59 59 ALA H H 59 7.900 8.525 -0.625 1
1 624 . 15 1 1 A 59 59 ALA HA H 59 4.516 4.066 0.450 1
1 628 . 15 1 1 A 59 59 ALA C C 59 178.104 177.767 0.337 1
1 629 . 15 1 1 A 59 59 ALA CA C 59 52.713 54.944 -2.231 1
1 630 . 15 1 1 A 59 59 ALA CB C 59 19.380 18.730 0.650 1
1 631 . 15 1 1 A 59 59 ALA N N 59 119.932 123.420 -3.488 1
1 632 . 15 1 1 A 60 60 ARG H H 60 8.306 7.738 0.568 1
1 633 . 15 1 1 A 60 60 ARG HA H 60 4.559 4.454 0.105 1
1 640 . 15 1 1 A 60 60 ARG C C 60 174.842 175.778 -0.936 1
1 641 . 15 1 1 A 60 60 ARG CA C 60 55.357 55.472 -0.115 1
1 642 . 15 1 1 A 60 60 ARG CB C 60 32.823 31.269 1.554 1
1 645 . 15 1 1 A 60 60 ARG N N 60 118.739 116.566 2.173 1
1 646 . 15 1 1 A 61 61 SER H H 61 8.229 8.550 -0.321 1
1 647 . 15 1 1 A 61 61 SER HA H 61 3.709 4.277 -0.568 1
1 650 . 15 1 1 A 61 61 SER C C 61 170.973 172.382 -1.409 1
1 651 . 15 1 1 A 61 61 SER CA C 61 56.045 57.261 -1.216 1
1 652 . 15 1 1 A 61 61 SER CB C 61 63.329 62.851 0.478 1
1 653 . 15 1 1 A 61 61 SER N N 61 110.956 112.434 -1.478 1
1 654 . 15 1 1 A 62 62 HIS H H 62 6.458 6.870 -0.412 1
1 655 . 15 1 1 A 62 62 HIS HA H 62 4.626 4.379 0.247 1
1 660 . 15 1 1 A 62 62 HIS C C 62 173.581 173.228 0.353 1
1 661 . 15 1 1 A 62 62 HIS CA C 62 54.494 53.734 0.760 1
1 662 . 15 1 1 A 62 62 HIS CB C 62 32.485 32.472 0.013 1
1 665 . 15 1 1 A 62 62 HIS N N 62 113.571 115.962 -2.391 1
1 666 . 15 1 1 A 63 63 VAL H H 63 8.794 8.559 0.235 1
1 667 . 15 1 1 A 63 63 VAL HA H 63 4.325 4.497 -0.172 1
1 675 . 15 1 1 A 63 63 VAL C C 63 171.906 173.397 -1.491 1
1 676 . 15 1 1 A 63 63 VAL CA C 63 61.052 60.884 0.168 1
1 677 . 15 1 1 A 63 63 VAL CB C 63 34.800 34.559 0.241 1
1 680 . 15 1 1 A 63 63 VAL N N 63 118.122 118.959 -0.837 1
1 681 . 15 1 1 A 64 64 THR H H 64 8.316 8.585 -0.269 1
1 682 . 15 1 1 A 64 64 THR HA H 64 4.970 5.037 -0.067 1
1 687 . 15 1 1 A 64 64 THR C C 64 173.412 173.158 0.254 1
1 688 . 15 1 1 A 64 64 THR CA C 64 61.775 61.456 0.319 1
1 689 . 15 1 1 A 64 64 THR CB C 64 69.851 70.799 -0.948 1
1 691 . 15 1 1 A 64 64 THR N N 64 122.871 121.894 0.977 1
1 692 . 15 1 1 A 65 65 LEU H H 65 9.348 8.551 0.797 1
1 693 . 15 1 1 A 65 65 LEU HA H 65 4.584 4.691 -0.107 1
1 703 . 15 1 1 A 65 65 LEU C C 65 173.397 174.941 -1.544 1
1 704 . 15 1 1 A 65 65 LEU CA C 65 50.297 51.092 -0.795 1
1 705 . 15 1 1 A 65 65 LEU CB C 65 41.547 41.971 -0.424 1
1 709 . 15 1 1 A 65 65 LEU N N 65 129.778 127.729 2.049 1
1 710 . 15 1 1 A 66 66 PRO HA H 66 4.868 4.369 0.499 1
1 717 . 15 1 1 A 66 66 PRO C C 66 175.188 176.292 -1.104 1
1 718 . 15 1 1 A 66 66 PRO CA C 66 61.370 62.816 -1.446 1
1 719 . 15 1 1 A 66 66 PRO CB C 66 33.700 32.662 1.038 1
1 722 . 15 1 1 A 67 67 ASP H H 67 8.729 8.819 -0.090 1
1 723 . 15 1 1 A 67 67 ASP HA H 67 4.333 4.133 0.200 1
1 726 . 15 1 1 A 67 67 ASP C C 67 175.824 175.046 0.778 1
1 727 . 15 1 1 A 67 67 ASP CA C 67 55.181 54.799 0.382 1
1 728 . 15 1 1 A 67 67 ASP CB C 67 39.225 39.589 -0.364 1
1 729 . 15 1 1 A 67 67 ASP N N 67 113.984 116.274 -2.290 1
1 730 . 15 1 1 A 68 68 LEU H H 68 8.599 7.923 0.676 1
1 731 . 15 1 1 A 68 68 LEU HA H 68 4.414 4.924 -0.510 1
1 741 . 15 1 1 A 68 68 LEU C C 68 176.487 176.054 0.433 1
1 742 . 15 1 1 A 68 68 LEU CA C 68 53.259 53.219 0.040 1
1 743 . 15 1 1 A 68 68 LEU CB C 68 41.630 44.123 -2.493 1
1 747 . 15 1 1 A 68 68 LEU N N 68 118.102 118.748 -0.646 1
1 748 . 15 1 1 A 69 69 GLN H H 69 8.114 8.740 -0.626 1
1 749 . 15 1 1 A 69 69 GLN HA H 69 4.349 4.867 -0.518 1
1 756 . 15 1 1 A 69 69 GLN C C 69 175.669 174.310 1.359 1
1 757 . 15 1 1 A 69 69 GLN CA C 69 54.722 54.305 0.417 1
1 758 . 15 1 1 A 69 69 GLN CB C 69 30.803 31.716 -0.913 1
1 760 . 15 1 1 A 69 69 GLN N N 69 118.191 119.356 -1.165 1
1 762 . 15 1 1 A 70 70 ALA H H 70 8.240 8.704 -0.464 1
1 763 . 15 1 1 A 70 70 ALA HA H 70 4.835 5.002 -0.167 1
1 767 . 15 1 1 A 70 70 ALA C C 70 178.720 176.980 1.740 1
1 768 . 15 1 1 A 70 70 ALA CA C 70 52.501 50.385 2.116 1
1 769 . 15 1 1 A 70 70 ALA CB C 70 20.257 21.992 -1.735 1
1 770 . 15 1 1 A 70 70 ALA N N 70 124.989 121.316 3.673 1
1 771 . 15 1 1 A 71 71 ALA H H 71 8.003 8.202 -0.199 1
1 772 . 15 1 1 A 71 71 ALA HA H 71 3.974 3.871 0.103 1
1 776 . 15 1 1 A 71 71 ALA C C 71 176.118 176.026 0.092 1
1 777 . 15 1 1 A 71 71 ALA CA C 71 52.491 53.099 -0.608 1
1 778 . 15 1 1 A 71 71 ALA CB C 71 18.439 17.754 0.685 1
1 779 . 15 1 1 A 71 71 ALA N N 71 128.133 120.498 7.635 1
1 780 . 15 1 1 A 72 72 THR H H 72 8.391 7.624 0.767 1
1 781 . 15 1 1 A 72 72 THR HA H 72 4.563 4.900 -0.337 1
1 786 . 15 1 1 A 72 72 THR C C 72 172.643 173.784 -1.141 1
1 787 . 15 1 1 A 72 72 THR CA C 72 62.856 61.015 1.841 1
1 788 . 15 1 1 A 72 72 THR CB C 72 71.924 72.511 -0.587 1
1 790 . 15 1 1 A 72 72 THR N N 72 114.280 110.868 3.412 1
1 791 . 15 1 1 A 73 73 LYS H H 73 8.691 8.380 0.311 1
1 792 . 15 1 1 A 73 73 LYS HA H 73 4.846 4.842 0.004 1
1 801 . 15 1 1 A 73 73 LYS C C 73 176.405 175.599 0.806 1
1 802 . 15 1 1 A 73 73 LYS CA C 73 55.992 56.129 -0.137 1
1 803 . 15 1 1 A 73 73 LYS CB C 73 33.535 34.670 -1.135 1
1 807 . 15 1 1 A 73 73 LYS N N 73 125.989 124.655 1.334 1
1 808 . 15 1 1 A 74 74 TYR H H 74 9.569 8.840 0.729 1
1 809 . 15 1 1 A 74 74 TYR HA H 74 4.758 5.421 -0.663 1
1 816 . 15 1 1 A 74 74 TYR C C 74 173.567 174.831 -1.264 1
1 817 . 15 1 1 A 74 74 TYR CA C 74 58.778 56.611 2.167 1
1 818 . 15 1 1 A 74 74 TYR CB C 74 42.667 41.309 1.358 1
1 823 . 15 1 1 A 74 74 TYR N N 74 126.436 118.434 8.002 1
1 824 . 15 1 1 A 75 75 ARG H H 75 9.005 9.182 -0.177 1
1 825 . 15 1 1 A 75 75 ARG HA H 75 5.053 4.887 0.166 1
1 832 . 15 1 1 A 75 75 ARG C C 75 175.042 174.921 0.121 1
1 833 . 15 1 1 A 75 75 ARG CA C 75 55.027 56.170 -1.143 1
1 834 . 15 1 1 A 75 75 ARG CB C 75 32.284 30.207 2.077 1
1 837 . 15 1 1 A 75 75 ARG N N 75 121.560 126.069 -4.509 1
1 838 . 15 1 1 A 76 76 VAL H H 76 9.127 8.975 0.152 1
1 839 . 15 1 1 A 76 76 VAL HA H 76 4.977 4.410 0.567 1
1 847 . 15 1 1 A 76 76 VAL C C 76 173.144 175.478 -2.334 1
1 848 . 15 1 1 A 76 76 VAL CA C 76 60.876 62.884 -2.008 1
1 849 . 15 1 1 A 76 76 VAL CB C 76 34.922 31.508 3.414 1
1 852 . 15 1 1 A 76 76 VAL N N 76 127.571 126.928 0.643 1
1 853 . 15 1 1 A 77 77 LEU H H 77 9.083 9.533 -0.450 1
1 854 . 15 1 1 A 77 77 LEU HA H 77 5.350 5.503 -0.153 1
1 864 . 15 1 1 A 77 77 LEU C C 77 176.622 175.475 1.147 1
1 865 . 15 1 1 A 77 77 LEU CA C 77 53.911 53.339 0.572 1
1 866 . 15 1 1 A 77 77 LEU CB C 77 44.959 42.584 2.375 1
1 870 . 15 1 1 A 77 77 LEU N N 77 127.310 128.903 -1.593 1
1 871 . 15 1 1 A 78 78 VAL H H 78 8.918 8.725 0.193 1
1 872 . 15 1 1 A 78 78 VAL HA H 78 4.890 4.647 0.243 1
1 880 . 15 1 1 A 78 78 VAL C C 78 174.235 175.096 -0.861 1
1 881 . 15 1 1 A 78 78 VAL CA C 78 61.193 61.104 0.089 1
1 882 . 15 1 1 A 78 78 VAL CB C 78 34.718 33.432 1.286 1
1 885 . 15 1 1 A 78 78 VAL N N 78 119.228 126.445 -7.217 1
1 886 . 15 1 1 A 79 79 SER H H 79 8.598 8.489 0.109 1
1 887 . 15 1 1 A 79 79 SER HA H 79 4.725 4.930 -0.205 1
1 890 . 15 1 1 A 79 79 SER C C 79 172.877 172.973 -0.096 1
1 891 . 15 1 1 A 79 79 SER CA C 79 56.680 57.562 -0.882 1
1 892 . 15 1 1 A 79 79 SER CB C 79 65.806 66.117 -0.311 1
1 893 . 15 1 1 A 79 79 SER N N 79 119.664 123.676 -4.012 1
1 894 . 15 1 1 A 80 80 ALA H H 80 8.939 8.554 0.385 1
1 895 . 15 1 1 A 80 80 ALA HA H 80 4.325 4.656 -0.331 1
1 899 . 15 1 1 A 80 80 ALA C C 80 174.050 177.003 -2.953 1
1 900 . 15 1 1 A 80 80 ALA CA C 80 51.126 51.694 -0.568 1
1 901 . 15 1 1 A 80 80 ALA CB C 80 21.990 19.233 2.757 1
1 902 . 15 1 1 A 80 80 ALA N N 80 126.283 128.251 -1.968 1
1 903 . 15 1 1 A 81 81 ILE H H 81 8.424 8.233 0.191 1
1 904 . 15 1 1 A 81 81 ILE HA H 81 4.116 4.527 -0.411 1
1 914 . 15 1 1 A 81 81 ILE C C 81 173.862 174.041 -0.179 1
1 915 . 15 1 1 A 81 81 ILE CA C 81 61.175 60.072 1.103 1
1 916 . 15 1 1 A 81 81 ILE CB C 81 36.015 38.202 -2.187 1
1 920 . 15 1 1 A 81 81 ILE N N 81 123.033 122.667 0.366 1
1 921 . 15 1 1 A 82 82 TYR H H 82 8.377 8.705 -0.328 1
1 922 . 15 1 1 A 82 82 TYR HA H 82 4.681 4.913 -0.232 1
1 929 . 15 1 1 A 82 82 TYR C C 82 176.146 176.097 0.049 1
1 930 . 15 1 1 A 82 82 TYR CA C 82 56.309 56.641 -0.332 1
1 931 . 15 1 1 A 82 82 TYR CB C 82 40.734 42.956 -2.222 1
1 936 . 15 1 1 A 82 82 TYR N N 82 125.168 124.310 0.858 1
1 937 . 15 1 1 A 83 83 ALA H H 83 9.437 9.073 0.364 1
1 938 . 15 1 1 A 83 83 ALA HA H 83 4.059 4.098 -0.039 1
1 942 . 15 1 1 A 83 83 ALA C C 83 179.312 179.817 -0.505 1
1 943 . 15 1 1 A 83 83 ALA CA C 83 55.729 55.650 0.079 1
1 944 . 15 1 1 A 83 83 ALA CB C 83 17.613 18.451 -0.838 1
1 945 . 15 1 1 A 83 83 ALA N N 83 125.234 125.712 -0.478 1
1 946 . 15 1 1 A 84 84 ALA H H 84 7.823 7.932 -0.109 1
1 947 . 15 1 1 A 84 84 ALA HA H 84 4.434 4.116 0.318 1
1 951 . 15 1 1 A 84 84 ALA C C 84 176.808 177.496 -0.688 1
1 952 . 15 1 1 A 84 84 ALA CA C 84 51.936 54.898 -2.962 1
1 953 . 15 1 1 A 84 84 ALA CB C 84 19.514 19.878 -0.364 1
1 954 . 15 1 1 A 84 84 ALA N N 84 114.587 119.638 -5.051 1
1 955 . 15 1 1 A 85 85 GLY H H 85 7.366 7.487 -0.121 1
1 956 . 15 1 1 A 85 85 GLY HA2 H 85 4.362 4.034 0.328 1
1 957 . 15 1 1 A 85 85 GLY HA3 H 85 3.835 4.052 -0.217 1
1 958 . 15 1 1 A 85 85 GLY C C 85 171.544 171.995 -0.451 1
1 959 . 15 1 1 A 85 85 GLY CA C 85 44.576 46.004 -1.428 1
1 960 . 15 1 1 A 85 85 GLY N N 85 105.342 101.984 3.358 1
1 961 . 15 1 1 A 86 86 ARG H H 86 8.626 8.569 0.057 1
1 962 . 15 1 1 A 86 86 ARG HA H 86 5.263 5.362 -0.099 1
1 969 . 15 1 1 A 86 86 ARG C C 86 176.925 175.599 1.326 1
1 970 . 15 1 1 A 86 86 ARG CA C 86 54.863 54.591 0.272 1
1 971 . 15 1 1 A 86 86 ARG CB C 86 33.491 33.111 0.380 1
1 974 . 15 1 1 A 86 86 ARG N N 86 118.147 117.670 0.477 1
1 975 . 15 1 1 A 87 87 SER H H 87 9.496 9.019 0.477 1
1 976 . 15 1 1 A 87 87 SER HA H 87 4.747 4.620 0.127 1
1 979 . 15 1 1 A 87 87 SER C C 87 174.538 174.427 0.111 1
1 980 . 15 1 1 A 87 87 SER CA C 87 58.284 58.030 0.254 1
1 981 . 15 1 1 A 87 87 SER CB C 87 67.271 65.303 1.968 1
1 982 . 15 1 1 A 87 87 SER N N 87 119.835 115.266 4.569 1
1 983 . 15 1 1 A 88 88 GLU H H 88 9.058 8.547 0.511 1
1 984 . 15 1 1 A 88 88 GLU HA H 88 4.342 4.220 0.122 1
1 989 . 15 1 1 A 88 88 GLU C C 88 176.157 175.774 0.383 1
1 990 . 15 1 1 A 88 88 GLU CA C 88 56.874 55.836 1.038 1
1 991 . 15 1 1 A 88 88 GLU CB C 88 30.350 30.216 0.134 1
1 993 . 15 1 1 A 88 88 GLU N N 88 119.700 120.135 -0.435 1
1 994 . 15 1 1 A 89 89 ALA H H 89 8.674 8.483 0.191 1
1 995 . 15 1 1 A 89 89 ALA HA H 89 4.918 5.328 -0.410 1
1 999 . 15 1 1 A 89 89 ALA C C 89 178.887 176.064 2.823 1
1 1000 . 15 1 1 A 89 89 ALA CA C 89 51.340 50.518 0.822 1
1 1001 . 15 1 1 A 89 89 ALA CB C 89 20.130 21.788 -1.658 1
1 1002 . 15 1 1 A 89 89 ALA N N 89 125.485 121.941 3.544 1
1 1003 . 15 1 1 A 90 90 VAL H H 90 8.621 8.517 0.104 1
1 1004 . 15 1 1 A 90 90 VAL HA H 90 4.562 4.842 -0.280 1
1 1012 . 15 1 1 A 90 90 VAL C C 90 174.251 175.640 -1.389 1
1 1013 . 15 1 1 A 90 90 VAL CA C 90 60.365 60.822 -0.457 1
1 1014 . 15 1 1 A 90 90 VAL CB C 90 33.770 33.063 0.707 1
1 1017 . 15 1 1 A 90 90 VAL N N 90 119.440 120.209 -0.769 1
1 1018 . 15 1 1 A 91 91 SER H H 91 8.373 8.827 -0.454 1
1 1019 . 15 1 1 A 91 91 SER HA H 91 5.877 5.106 0.771 1
1 1022 . 15 1 1 A 91 91 SER C C 91 174.245 173.677 0.568 1
1 1023 . 15 1 1 A 91 91 SER CA C 91 56.109 56.930 -0.821 1
1 1024 . 15 1 1 A 91 91 SER CB C 91 67.620 64.919 2.701 1
1 1025 . 15 1 1 A 91 91 SER N N 91 116.084 120.800 -4.716 1
1 1026 . 15 1 1 A 92 92 ALA H H 92 8.900 8.948 -0.048 1
1 1027 . 15 1 1 A 92 92 ALA HA H 92 4.681 4.925 -0.244 1
1 1031 . 15 1 1 A 92 92 ALA C C 92 175.187 175.612 -0.425 1
1 1032 . 15 1 1 A 92 92 ALA CA C 92 51.990 51.789 0.201 1
1 1033 . 15 1 1 A 92 92 ALA CB C 92 23.056 22.979 0.077 1
1 1034 . 15 1 1 A 92 92 ALA N N 92 123.885 122.264 1.621 1
1 1035 . 15 1 1 A 93 93 THR H H 93 8.466 8.797 -0.331 1
1 1036 . 15 1 1 A 93 93 THR HA H 93 5.623 5.306 0.317 1
1 1041 . 15 1 1 A 93 93 THR C C 93 174.366 174.040 0.326 1
1 1042 . 15 1 1 A 93 93 THR CA C 93 60.154 60.511 -0.357 1
1 1043 . 15 1 1 A 93 93 THR CB C 93 71.657 70.504 1.153 1
1 1045 . 15 1 1 A 93 93 THR N N 93 112.591 112.919 -0.328 1
1 1046 . 15 1 1 A 94 94 GLY H H 94 8.657 9.069 -0.412 1
1 1047 . 15 1 1 A 94 94 GLY HA2 H 94 4.483 4.233 0.250 1
1 1048 . 15 1 1 A 94 94 GLY HA3 H 94 3.625 4.238 -0.613 1
1 1049 . 15 1 1 A 94 94 GLY C C 94 170.518 173.759 -3.241 1
1 1050 . 15 1 1 A 94 94 GLY CA C 94 44.849 45.486 -0.637 1
1 1051 . 15 1 1 A 94 94 GLY N N 94 111.375 111.637 -0.262 1
1 1052 . 15 1 1 A 95 95 GLN H H 95 8.667 8.808 -0.141 1
1 1053 . 15 1 1 A 95 95 GLN HA H 95 5.491 4.361 1.130 1
1 1060 . 15 1 1 A 95 95 GLN C C 95 176.226 175.310 0.916 1
1 1061 . 15 1 1 A 95 95 GLN CA C 95 54.000 56.644 -2.644 1
1 1062 . 15 1 1 A 95 95 GLN CB C 95 32.822 29.398 3.424 1
1 1064 . 15 1 1 A 95 95 GLN N N 95 120.893 126.782 -5.889 1
1 1066 . 15 1 1 A 96 96 THR H H 96 8.609 8.607 0.002 1
1 1067 . 15 1 1 A 96 96 THR HA H 96 4.384 4.593 -0.209 1
1 1072 . 15 1 1 A 96 96 THR C C 96 175.194 174.897 0.297 1
1 1073 . 15 1 1 A 96 96 THR CA C 96 60.783 60.791 -0.008 1
1 1074 . 15 1 1 A 96 96 THR CB C 96 70.198 71.321 -1.123 1
1 1076 . 15 1 1 A 96 96 THR N N 96 115.777 115.212 0.565 1
1 1077 . 15 1 1 A 97 97 ALA H H 97 8.009 8.163 -0.154 1
1 1078 . 15 1 1 A 97 97 ALA HA H 97 4.186 4.341 -0.155 1
1 1082 . 15 1 1 A 97 97 ALA C C 97 176.174 176.990 -0.816 1
1 1083 . 15 1 1 A 97 97 ALA CA C 97 52.077 51.729 0.348 1
1 1084 . 15 1 1 A 97 97 ALA CB C 97 19.001 19.662 -0.661 1
1 1085 . 15 1 1 A 97 97 ALA N N 97 120.015 123.386 -3.371 1
1 1086 . 15 1 1 A 98 98 CYS H H 98 8.239 8.600 -0.361 1
1 1087 . 15 1 1 A 98 98 CYS HA H 98 4.705 5.123 -0.418 1
1 1090 . 15 1 1 A 98 98 CYS C C 98 173.203 172.336 0.867 1
1 1091 . 15 1 1 A 98 98 CYS CA C 98 56.644 55.473 1.171 1
1 1092 . 15 1 1 A 98 98 CYS CB C 98 27.357 30.821 -3.464 1
1 1093 . 15 1 1 A 98 98 CYS N N 98 116.874 119.088 -2.214 1
1 1094 . 15 1 1 A 99 99 PRO HA H 99 4.421 4.650 -0.229 1
1 1101 . 15 1 1 A 99 99 PRO CA C 99 63.337 62.584 0.753 1
1 1102 . 15 1 1 A 99 99 PRO CB C 99 32.132 31.539 0.593 1
1 1105 . 15 1 1 A 100 100 SER H H 100 8.463 8.505 -0.042 1
1 1106 . 15 1 1 A 100 100 SER HA H 100 4.470 4.405 0.065 1
1 1109 . 15 1 1 A 100 100 SER CA C 100 58.453 58.151 0.302 1
1 1110 . 15 1 1 A 100 100 SER CB C 100 64.023 64.182 -0.159 1
1 1111 . 15 1 1 A 100 100 SER N N 100 116.426 115.364 1.062 1
1 1112 . 15 1 1 A 101 101 GLY H H 101 8.237 8.306 -0.069 1
1 1113 . 15 1 1 A 101 101 GLY HA2 H 101 4.165 4.185 -0.020 1
1 1114 . 15 1 1 A 101 101 GLY HA3 H 101 4.100 4.186 -0.086 1
1 1115 . 15 1 1 A 101 101 GLY CA C 101 44.647 44.258 0.389 1
1 1116 . 15 1 1 A 101 101 GLY N N 101 110.731 108.194 2.537 1
1 1117 . 15 1 1 A 102 102 PRO HA H 102 4.484 4.552 -0.068 1
1 1123 . 15 1 1 A 102 102 PRO CA C 102 63.069 62.660 0.409 1
1 1124 . 15 1 1 A 102 102 PRO CB C 102 32.189 32.761 -0.572 1
1 1127 . 15 1 1 A 103 103 SER H H 103 8.540 8.925 -0.385 1
1 1 . 16 1 1 A 5 5 SER N N 5 119.122 116.535 2.587 1
1 2 . 16 1 1 A 6 6 SER N N 6 123.945 121.686 2.259 1
1 3 . 16 1 1 A 7 7 GLY HA2 H 7 3.813 3.952 -0.139 1
1 4 . 16 1 1 A 7 7 GLY HA3 H 7 3.813 3.966 -0.153 1
1 5 . 16 1 1 A 7 7 GLY CA C 7 45.375 45.523 -0.148 1
1 6 . 16 1 1 A 8 8 ARG H H 8 7.999 7.570 0.429 1
1 7 . 16 1 1 A 8 8 ARG HA H 8 3.712 3.677 0.035 1
1 14 . 16 1 1 A 8 8 ARG CA C 8 54.185 54.120 0.065 1
1 15 . 16 1 1 A 8 8 ARG CB C 8 29.555 31.984 -2.429 1
1 18 . 16 1 1 A 8 8 ARG N N 8 121.209 120.224 0.985 1
1 19 . 16 1 1 A 9 9 SER H H 9 7.810 8.717 -0.907 1
1 20 . 16 1 1 A 9 9 SER HA H 9 4.725 5.035 -0.310 1
1 23 . 16 1 1 A 9 9 SER CA C 9 58.455 54.780 3.675 1
1 24 . 16 1 1 A 9 9 SER CB C 9 62.966 65.645 -2.679 1
1 25 . 16 1 1 A 9 9 SER N N 9 118.072 119.575 -1.503 1
1 26 . 16 1 1 A 10 10 PRO HA H 10 5.182 4.842 0.340 1
1 33 . 16 1 1 A 10 10 PRO CA C 10 61.759 61.295 0.464 1
1 34 . 16 1 1 A 10 10 PRO CB C 10 30.280 31.550 -1.270 1
1 37 . 16 1 1 A 11 11 PRO HA H 11 4.567 4.653 -0.086 1
1 44 . 16 1 1 A 11 11 PRO C C 11 173.556 176.198 -2.642 1
1 45 . 16 1 1 A 11 11 PRO CA C 11 62.674 62.761 -0.087 1
1 46 . 16 1 1 A 11 11 PRO CB C 11 33.026 31.600 1.426 1
1 49 . 16 1 1 A 12 12 SER H H 12 8.427 8.624 -0.197 1
1 50 . 16 1 1 A 12 12 SER HA H 12 4.890 4.957 -0.067 1
1 53 . 16 1 1 A 12 12 SER C C 12 173.115 173.861 -0.746 1
1 54 . 16 1 1 A 12 12 SER CA C 12 56.556 57.314 -0.758 1
1 55 . 16 1 1 A 12 12 SER CB C 12 66.882 65.680 1.202 1
1 56 . 16 1 1 A 12 12 SER N N 12 111.345 118.644 -7.299 1
1 57 . 16 1 1 A 13 13 ASN H H 13 8.973 8.809 0.164 1
1 58 . 16 1 1 A 13 13 ASN HA H 13 4.318 4.263 0.055 1
1 63 . 16 1 1 A 13 13 ASN C C 13 173.850 174.700 -0.850 1
1 64 . 16 1 1 A 13 13 ASN CA C 13 53.928 54.145 -0.217 1
1 65 . 16 1 1 A 13 13 ASN CB C 13 37.365 36.953 0.412 1
1 66 . 16 1 1 A 13 13 ASN N N 13 115.970 116.862 -0.892 1
1 68 . 16 1 1 A 14 14 LEU H H 14 8.223 8.139 0.084 1
1 69 . 16 1 1 A 14 14 LEU HA H 14 4.857 4.317 0.540 1
1 79 . 16 1 1 A 14 14 LEU C C 14 176.725 176.986 -0.261 1
1 80 . 16 1 1 A 14 14 LEU CA C 14 56.115 56.230 -0.115 1
1 81 . 16 1 1 A 14 14 LEU CB C 14 42.621 41.916 0.705 1
1 85 . 16 1 1 A 14 14 LEU N N 14 119.681 119.850 -0.169 1
1 86 . 16 1 1 A 15 15 ALA H H 15 9.364 8.317 1.047 1
1 87 . 16 1 1 A 15 15 ALA HA H 15 4.736 5.089 -0.353 1
1 91 . 16 1 1 A 15 15 ALA C C 15 175.056 175.299 -0.243 1
1 92 . 16 1 1 A 15 15 ALA CA C 15 51.496 50.825 0.671 1
1 93 . 16 1 1 A 15 15 ALA CB C 15 22.285 21.026 1.259 1
1 94 . 16 1 1 A 15 15 ALA N N 15 130.359 125.682 4.677 1
1 95 . 16 1 1 A 16 16 LEU H H 16 8.448 9.070 -0.622 1
1 96 . 16 1 1 A 16 16 LEU HA H 16 5.385 5.314 0.071 1
1 106 . 16 1 1 A 16 16 LEU C C 16 175.868 175.712 0.156 1
1 107 . 16 1 1 A 16 16 LEU CA C 16 53.224 53.596 -0.372 1
1 108 . 16 1 1 A 16 16 LEU CB C 16 45.061 42.879 2.182 1
1 112 . 16 1 1 A 16 16 LEU N N 16 120.470 123.997 -3.527 1
1 113 . 16 1 1 A 17 17 ALA H H 17 8.737 9.522 -0.785 1
1 114 . 16 1 1 A 17 17 ALA HA H 17 4.620 5.335 -0.715 1
1 118 . 16 1 1 A 17 17 ALA C C 17 175.371 175.030 0.341 1
1 119 . 16 1 1 A 17 17 ALA CA C 17 51.249 49.989 1.260 1
1 120 . 16 1 1 A 17 17 ALA CB C 17 22.570 22.381 0.189 1
1 121 . 16 1 1 A 17 17 ALA N N 17 124.938 128.576 -3.638 1
1 122 . 16 1 1 A 18 18 SER H H 18 8.675 8.818 -0.143 1
1 123 . 16 1 1 A 18 18 SER HA H 18 5.021 4.971 0.050 1
1 126 . 16 1 1 A 18 18 SER C C 18 174.678 174.736 -0.058 1
1 127 . 16 1 1 A 18 18 SER CA C 18 57.244 56.396 0.848 1
1 128 . 16 1 1 A 18 18 SER CB C 18 64.200 64.219 -0.019 1
1 129 . 16 1 1 A 18 18 SER N N 18 113.933 117.153 -3.220 1
1 130 . 16 1 1 A 19 19 GLU H H 19 9.743 8.742 1.001 1
1 131 . 16 1 1 A 19 19 GLU HA H 19 4.466 4.573 -0.107 1
1 136 . 16 1 1 A 19 19 GLU C C 19 176.368 176.180 0.188 1
1 137 . 16 1 1 A 19 19 GLU CA C 19 56.295 56.199 0.096 1
1 138 . 16 1 1 A 19 19 GLU CB C 19 31.532 30.882 0.650 1
1 140 . 16 1 1 A 19 19 GLU N N 19 127.234 124.755 2.479 1
1 141 . 16 1 1 A 20 20 THR H H 20 7.759 7.621 0.138 1
1 142 . 16 1 1 A 20 20 THR HA H 20 4.935 4.635 0.300 1
1 147 . 16 1 1 A 20 20 THR C C 20 171.770 173.732 -1.962 1
1 148 . 16 1 1 A 20 20 THR CA C 20 58.337 58.297 0.040 1
1 149 . 16 1 1 A 20 20 THR CB C 20 69.869 71.682 -1.813 1
1 151 . 16 1 1 A 20 20 THR N N 20 109.600 113.795 -4.195 1
1 152 . 16 1 1 A 21 21 PRO HA H 21 4.587 4.508 0.079 1
1 159 . 16 1 1 A 21 21 PRO C C 21 173.647 176.229 -2.582 1
1 160 . 16 1 1 A 21 21 PRO CA C 21 64.332 64.100 0.232 1
1 161 . 16 1 1 A 21 21 PRO CB C 21 32.380 31.469 0.911 1
1 164 . 16 1 1 A 22 22 ASP H H 22 7.420 8.372 -0.952 1
1 165 . 16 1 1 A 22 22 ASP HA H 22 4.648 4.981 -0.333 1
1 168 . 16 1 1 A 22 22 ASP C C 22 175.838 175.301 0.537 1
1 169 . 16 1 1 A 22 22 ASP CA C 22 51.037 54.097 -3.060 1
1 170 . 16 1 1 A 22 22 ASP CB C 22 42.177 42.513 -0.336 1
1 171 . 16 1 1 A 22 22 ASP N N 22 107.201 117.583 -10.382 1
1 172 . 16 1 1 A 23 23 SER H H 23 7.729 7.621 0.108 1
1 173 . 16 1 1 A 23 23 SER HA H 23 5.474 5.052 0.422 1
1 176 . 16 1 1 A 23 23 SER C C 23 171.887 172.157 -0.270 1
1 177 . 16 1 1 A 23 23 SER CA C 23 57.481 57.641 -0.160 1
1 178 . 16 1 1 A 23 23 SER CB C 23 68.168 66.938 1.230 1
1 179 . 16 1 1 A 23 23 SER N N 23 112.046 113.183 -1.137 1
1 180 . 16 1 1 A 24 24 LEU H H 24 7.884 8.218 -0.334 1
1 181 . 16 1 1 A 24 24 LEU HA H 24 4.769 4.815 -0.046 1
1 191 . 16 1 1 A 24 24 LEU C C 24 174.542 174.071 0.471 1
1 192 . 16 1 1 A 24 24 LEU CA C 24 53.576 53.864 -0.288 1
1 193 . 16 1 1 A 24 24 LEU CB C 24 47.616 45.833 1.783 1
1 197 . 16 1 1 A 24 24 LEU N N 24 119.324 123.627 -4.303 1
1 198 . 16 1 1 A 25 25 GLN H H 25 9.356 9.185 0.171 1
1 199 . 16 1 1 A 25 25 GLN HA H 25 4.747 4.654 0.093 1
1 206 . 16 1 1 A 25 25 GLN C C 25 174.824 174.767 0.057 1
1 207 . 16 1 1 A 25 25 GLN CA C 25 55.533 55.262 0.271 1
1 208 . 16 1 1 A 25 25 GLN CB C 25 29.759 29.911 -0.152 1
1 210 . 16 1 1 A 25 25 GLN N N 25 124.019 127.564 -3.545 1
1 212 . 16 1 1 A 26 26 VAL H H 26 9.020 8.482 0.538 1
1 213 . 16 1 1 A 26 26 VAL HA H 26 4.824 4.967 -0.143 1
1 221 . 16 1 1 A 26 26 VAL C C 26 174.556 173.599 0.957 1
1 222 . 16 1 1 A 26 26 VAL CA C 26 60.629 60.074 0.555 1
1 223 . 16 1 1 A 26 26 VAL CB C 26 33.355 35.113 -1.758 1
1 226 . 16 1 1 A 26 26 VAL N N 26 127.649 125.237 2.412 1
1 227 . 16 1 1 A 27 27 SER H H 27 9.056 8.354 0.702 1
1 228 . 16 1 1 A 27 27 SER HA H 27 4.857 4.841 0.016 1
1 231 . 16 1 1 A 27 27 SER C C 27 172.328 173.001 -0.673 1
1 232 . 16 1 1 A 27 27 SER CA C 27 57.138 56.874 0.264 1
1 233 . 16 1 1 A 27 27 SER CB C 27 66.864 67.175 -0.311 1
1 234 . 16 1 1 A 27 27 SER N N 27 119.826 124.022 -4.196 1
1 235 . 16 1 1 A 28 28 TRP H H 28 7.584 7.953 -0.369 1
1 236 . 16 1 1 A 28 28 TRP HA H 28 5.022 5.244 -0.222 1
1 245 . 16 1 1 A 28 28 TRP C C 28 174.055 172.900 1.155 1
1 246 . 16 1 1 A 28 28 TRP CA C 28 56.609 55.736 0.873 1
1 247 . 16 1 1 A 28 28 TRP CB C 28 29.814 30.884 -1.070 1
1 253 . 16 1 1 A 28 28 TRP N N 28 115.280 119.912 -4.632 1
1 255 . 16 1 1 A 29 29 THR H H 29 9.293 8.845 0.448 1
1 256 . 16 1 1 A 29 29 THR HA H 29 4.865 4.800 0.065 1
1 261 . 16 1 1 A 29 29 THR C C 29 173.203 173.647 -0.444 1
1 262 . 16 1 1 A 29 29 THR CA C 29 59.889 59.526 0.363 1
1 263 . 16 1 1 A 29 29 THR CB C 29 69.774 69.700 0.074 1
1 265 . 16 1 1 A 29 29 THR N N 29 117.164 115.084 2.080 1
1 266 . 16 1 1 A 30 30 PRO HA H 30 4.809 4.799 0.010 1
1 273 . 16 1 1 A 30 30 PRO CA C 30 61.701 61.885 -0.184 1
1 274 . 16 1 1 A 30 30 PRO CB C 30 32.114 32.419 -0.305 1
1 277 . 16 1 1 A 31 31 PRO HA H 31 4.703 4.714 -0.011 1
1 284 . 16 1 1 A 31 31 PRO C C 31 175.384 176.212 -0.828 1
1 285 . 16 1 1 A 31 31 PRO CA C 31 61.793 62.435 -0.642 1
1 286 . 16 1 1 A 31 31 PRO CB C 31 32.822 33.452 -0.630 1
1 289 . 16 1 1 A 32 32 LEU H H 32 8.312 8.173 0.139 1
1 290 . 16 1 1 A 32 32 LEU HA H 32 4.333 4.456 -0.123 1
1 300 . 16 1 1 A 32 32 LEU C C 32 177.793 177.940 -0.147 1
1 301 . 16 1 1 A 32 32 LEU CA C 32 55.851 55.676 0.175 1
1 302 . 16 1 1 A 32 32 LEU CB C 32 41.968 43.029 -1.061 1
1 306 . 16 1 1 A 32 32 LEU N N 32 119.044 117.513 1.531 1
1 307 . 16 1 1 A 33 33 GLY H H 33 8.147 7.865 0.282 1
1 308 . 16 1 1 A 33 33 GLY HA2 H 33 4.210 4.074 0.136 1
1 309 . 16 1 1 A 33 33 GLY HA3 H 33 4.051 4.081 -0.030 1
1 310 . 16 1 1 A 33 33 GLY C C 33 172.971 172.976 -0.005 1
1 311 . 16 1 1 A 33 33 GLY CA C 33 44.216 45.523 -1.307 1
1 312 . 16 1 1 A 33 33 GLY N N 33 107.917 108.227 -0.310 1
1 313 . 16 1 1 A 34 34 ARG H H 34 8.671 8.516 0.155 1
1 314 . 16 1 1 A 34 34 ARG HA H 34 4.405 4.446 -0.041 1
1 321 . 16 1 1 A 34 34 ARG C C 34 174.517 175.298 -0.781 1
1 322 . 16 1 1 A 34 34 ARG CA C 34 55.339 56.714 -1.375 1
1 323 . 16 1 1 A 34 34 ARG CB C 34 29.137 30.581 -1.444 1
1 326 . 16 1 1 A 34 34 ARG N N 34 121.152 123.431 -2.279 1
1 327 . 16 1 1 A 35 35 VAL H H 35 7.825 8.568 -0.743 1
1 328 . 16 1 1 A 35 35 VAL HA H 35 3.060 4.374 -1.314 1
1 336 . 16 1 1 A 35 35 VAL C C 35 176.613 175.834 0.779 1
1 337 . 16 1 1 A 35 35 VAL CA C 35 62.505 60.130 2.375 1
1 338 . 16 1 1 A 35 35 VAL CB C 35 32.534 33.434 -0.900 1
1 341 . 16 1 1 A 35 35 VAL N N 35 126.379 127.508 -1.129 1
1 342 . 16 1 1 A 36 36 LEU H H 36 8.874 8.416 0.458 1
1 343 . 16 1 1 A 36 36 LEU HA H 36 4.176 3.955 0.221 1
1 353 . 16 1 1 A 36 36 LEU C C 36 177.540 176.852 0.688 1
1 354 . 16 1 1 A 36 36 LEU CA C 36 57.050 58.136 -1.086 1
1 355 . 16 1 1 A 36 36 LEU CB C 36 41.723 42.145 -0.422 1
1 359 . 16 1 1 A 36 36 LEU N N 36 127.956 130.925 -2.969 1
1 360 . 16 1 1 A 37 37 HIS H H 37 7.231 7.351 -0.120 1
1 361 . 16 1 1 A 37 37 HIS HA H 37 4.615 4.881 -0.266 1
1 366 . 16 1 1 A 37 37 HIS C C 37 171.558 171.598 -0.040 1
1 367 . 16 1 1 A 37 37 HIS CA C 37 55.005 54.071 0.934 1
1 368 . 16 1 1 A 37 37 HIS CB C 37 32.039 32.401 -0.362 1
1 371 . 16 1 1 A 37 37 HIS N N 37 112.948 112.373 0.575 1
1 372 . 16 1 1 A 38 38 TYR H H 38 9.836 8.815 1.021 1
1 373 . 16 1 1 A 38 38 TYR HA H 38 5.165 5.030 0.135 1
1 378 . 16 1 1 A 38 38 TYR C C 38 174.934 174.905 0.029 1
1 379 . 16 1 1 A 38 38 TYR CA C 38 56.698 56.472 0.226 1
1 380 . 16 1 1 A 38 38 TYR CB C 38 40.251 39.274 0.977 1
1 385 . 16 1 1 A 38 38 TYR N N 38 116.581 116.844 -0.263 1
1 386 . 16 1 1 A 39 39 TRP H H 39 8.984 8.776 0.208 1
1 387 . 16 1 1 A 39 39 TRP HA H 39 5.307 4.894 0.413 1
1 396 . 16 1 1 A 39 39 TRP C C 39 173.996 175.271 -1.275 1
1 397 . 16 1 1 A 39 39 TRP CA C 39 55.798 57.605 -1.807 1
1 398 . 16 1 1 A 39 39 TRP CB C 39 31.998 29.496 2.502 1
1 404 . 16 1 1 A 39 39 TRP N N 39 124.201 128.540 -4.339 1
1 406 . 16 1 1 A 40 40 LEU H H 40 8.695 8.476 0.219 1
1 407 . 16 1 1 A 40 40 LEU HA H 40 5.636 4.843 0.793 1
1 417 . 16 1 1 A 40 40 LEU C C 40 175.416 175.107 0.309 1
1 418 . 16 1 1 A 40 40 LEU CA C 40 54.030 53.697 0.333 1
1 419 . 16 1 1 A 40 40 LEU CB C 40 44.846 44.310 0.536 1
1 423 . 16 1 1 A 40 40 LEU N N 40 132.690 129.695 2.995 1
1 424 . 16 1 1 A 41 41 THR H H 41 9.103 8.945 0.158 1
1 425 . 16 1 1 A 41 41 THR HA H 41 5.341 4.973 0.368 1
1 430 . 16 1 1 A 41 41 THR C C 41 173.042 172.784 0.258 1
1 431 . 16 1 1 A 41 41 THR CA C 41 60.118 60.385 -0.267 1
1 432 . 16 1 1 A 41 41 THR CB C 41 71.493 70.742 0.751 1
1 434 . 16 1 1 A 41 41 THR N N 41 117.923 115.110 2.813 1
1 435 . 16 1 1 A 42 42 TYR H H 42 9.073 8.727 0.346 1
1 436 . 16 1 1 A 42 42 TYR HA H 42 5.915 6.206 -0.291 1
1 443 . 16 1 1 A 42 42 TYR C C 42 173.637 174.229 -0.592 1
1 444 . 16 1 1 A 42 42 TYR CA C 42 55.146 55.119 0.027 1
1 445 . 16 1 1 A 42 42 TYR CB C 42 42.124 41.985 0.139 1
1 450 . 16 1 1 A 42 42 TYR N N 42 118.958 121.489 -2.531 1
1 451 . 16 1 1 A 43 43 ALA H H 43 8.508 8.878 -0.370 1
1 452 . 16 1 1 A 43 43 ALA HA H 43 5.099 4.570 0.529 1
1 456 . 16 1 1 A 43 43 ALA C C 43 173.859 176.879 -3.020 1
1 457 . 16 1 1 A 43 43 ALA CA C 43 50.156 50.156 0.000 1
1 458 . 16 1 1 A 43 43 ALA CB C 43 21.455 22.005 -0.550 1
1 459 . 16 1 1 A 43 43 ALA N N 43 122.386 121.068 1.318 1
1 460 . 16 1 1 A 44 44 PRO HA H 44 4.079 4.294 -0.215 1
1 467 . 16 1 1 A 44 44 PRO C C 44 178.191 176.573 1.618 1
1 468 . 16 1 1 A 44 44 PRO CA C 44 63.194 63.704 -0.510 1
1 469 . 16 1 1 A 44 44 PRO CB C 44 31.525 31.965 -0.440 1
1 472 . 16 1 1 A 45 45 ALA H H 45 8.934 7.986 0.948 1
1 473 . 16 1 1 A 45 45 ALA HA H 45 3.965 4.056 -0.091 1
1 477 . 16 1 1 A 45 45 ALA C C 45 177.272 177.094 0.178 1
1 478 . 16 1 1 A 45 45 ALA CA C 45 53.911 53.156 0.755 1
1 479 . 16 1 1 A 45 45 ALA CB C 45 18.221 17.103 1.118 1
1 480 . 16 1 1 A 45 45 ALA N N 45 129.632 120.027 9.605 1
1 481 . 16 1 1 A 46 46 SER H H 46 8.311 7.830 0.481 1
1 482 . 16 1 1 A 46 46 SER HA H 46 4.193 4.608 -0.415 1
1 485 . 16 1 1 A 46 46 SER C C 46 175.546 174.731 0.815 1
1 486 . 16 1 1 A 46 46 SER CA C 46 58.584 59.814 -1.230 1
1 487 . 16 1 1 A 46 46 SER CB C 46 63.543 65.312 -1.769 1
1 488 . 16 1 1 A 46 46 SER N N 46 111.878 112.111 -0.233 1
1 489 . 16 1 1 A 47 47 GLY H H 47 7.743 8.067 -0.324 1
1 490 . 16 1 1 A 47 47 GLY HA2 H 47 4.203 3.995 0.208 1
1 491 . 16 1 1 A 47 47 GLY HA3 H 47 3.840 3.996 -0.156 1
1 492 . 16 1 1 A 47 47 GLY C C 47 174.463 174.591 -0.128 1
1 493 . 16 1 1 A 47 47 GLY CA C 47 45.501 45.641 -0.140 1
1 494 . 16 1 1 A 47 47 GLY N N 47 108.526 108.745 -0.219 1
1 495 . 16 1 1 A 48 48 LEU H H 48 7.794 8.036 -0.242 1
1 496 . 16 1 1 A 48 48 LEU HA H 48 4.448 4.406 0.042 1
1 506 . 16 1 1 A 48 48 LEU C C 48 176.668 176.509 0.159 1
1 507 . 16 1 1 A 48 48 LEU CA C 48 54.470 56.138 -1.668 1
1 508 . 16 1 1 A 48 48 LEU CB C 48 41.445 43.645 -2.200 1
1 512 . 16 1 1 A 48 48 LEU N N 48 120.348 117.912 2.436 1
1 513 . 16 1 1 A 49 49 GLY H H 49 7.889 7.742 0.147 1
1 514 . 16 1 1 A 49 49 GLY HA2 H 49 4.266 4.056 0.210 1
1 515 . 16 1 1 A 49 49 GLY HA3 H 49 3.965 4.057 -0.092 1
1 516 . 16 1 1 A 49 49 GLY C C 49 170.653 172.818 -2.165 1
1 517 . 16 1 1 A 49 49 GLY CA C 49 44.151 43.987 0.164 1
1 518 . 16 1 1 A 49 49 GLY N N 49 108.892 106.591 2.301 1
1 519 . 16 1 1 A 50 50 PRO HA H 50 4.483 4.530 -0.047 1
1 526 . 16 1 1 A 50 50 PRO C C 50 176.143 175.798 0.345 1
1 527 . 16 1 1 A 50 50 PRO CA C 50 62.639 62.845 -0.206 1
1 528 . 16 1 1 A 50 50 PRO CB C 50 32.575 31.875 0.700 1
1 531 . 16 1 1 A 51 51 GLU H H 51 8.463 8.553 -0.090 1
1 532 . 16 1 1 A 51 51 GLU HA H 51 4.560 4.554 0.006 1
1 537 . 16 1 1 A 51 51 GLU C C 51 175.792 176.051 -0.259 1
1 538 . 16 1 1 A 51 51 GLU CA C 51 55.516 55.623 -0.107 1
1 539 . 16 1 1 A 51 51 GLU CB C 51 31.305 31.207 0.098 1
1 541 . 16 1 1 A 51 51 GLU N N 51 121.175 121.251 -0.076 1
1 542 . 16 1 1 A 52 52 LYS H H 52 8.180 8.437 -0.257 1
1 543 . 16 1 1 A 52 52 LYS HA H 52 4.511 4.535 -0.024 1
1 552 . 16 1 1 A 52 52 LYS C C 52 174.000 175.715 -1.715 1
1 553 . 16 1 1 A 52 52 LYS CA C 52 54.952 55.466 -0.514 1
1 554 . 16 1 1 A 52 52 LYS CB C 52 36.101 34.082 2.019 1
1 558 . 16 1 1 A 52 52 LYS N N 52 125.598 126.713 -1.115 1
1 559 . 16 1 1 A 53 53 SER H H 53 8.087 8.448 -0.361 1
1 560 . 16 1 1 A 53 53 SER HA H 53 5.637 5.126 0.511 1
1 563 . 16 1 1 A 53 53 SER C C 53 173.704 172.888 0.816 1
1 564 . 16 1 1 A 53 53 SER CA C 53 56.662 57.441 -0.779 1
1 565 . 16 1 1 A 53 53 SER CB C 53 67.219 65.129 2.090 1
1 566 . 16 1 1 A 53 53 SER N N 53 112.778 115.516 -2.738 1
1 567 . 16 1 1 A 54 54 VAL H H 54 8.940 8.551 0.389 1
1 568 . 16 1 1 A 54 54 VAL HA H 54 4.314 4.815 -0.501 1
1 576 . 16 1 1 A 54 54 VAL C C 54 172.304 174.477 -2.173 1
1 577 . 16 1 1 A 54 54 VAL CA C 54 60.506 59.866 0.640 1
1 578 . 16 1 1 A 54 54 VAL CB C 54 36.121 34.300 1.821 1
1 581 . 16 1 1 A 54 54 VAL N N 54 119.961 120.941 -0.980 1
1 582 . 16 1 1 A 55 55 SER H H 55 8.180 8.765 -0.585 1
1 583 . 16 1 1 A 55 55 SER HA H 55 5.461 4.918 0.543 1
1 586 . 16 1 1 A 55 55 SER C C 55 174.870 174.091 0.779 1
1 587 . 16 1 1 A 55 55 SER CA C 55 56.065 58.438 -2.373 1
1 588 . 16 1 1 A 55 55 SER CB C 55 64.094 63.883 0.211 1
1 589 . 16 1 1 A 55 55 SER N N 55 117.963 120.766 -2.803 1
1 590 . 16 1 1 A 56 56 VAL H H 56 9.201 8.669 0.532 1
1 591 . 16 1 1 A 56 56 VAL HA H 56 4.780 4.650 0.130 1
1 599 . 16 1 1 A 56 56 VAL C C 56 173.446 174.060 -0.614 1
1 600 . 16 1 1 A 56 56 VAL CA C 56 58.760 58.994 -0.234 1
1 601 . 16 1 1 A 56 56 VAL CB C 56 35.954 35.950 0.004 1
1 604 . 16 1 1 A 56 56 VAL N N 56 127.863 126.303 1.560 1
1 605 . 16 1 1 A 57 57 PRO HA H 57 4.582 4.652 -0.070 1
1 612 . 16 1 1 A 57 57 PRO C C 57 176.776 178.611 -1.835 1
1 613 . 16 1 1 A 57 57 PRO CA C 57 64.226 63.411 0.815 1
1 614 . 16 1 1 A 57 57 PRO CB C 57 33.063 31.787 1.276 1
1 617 . 16 1 1 A 58 58 GLY H H 58 7.663 8.847 -1.184 1
1 618 . 16 1 1 A 58 58 GLY HA2 H 58 3.684 3.630 0.054 1
1 619 . 16 1 1 A 58 58 GLY HA3 H 58 3.620 3.701 -0.081 1
1 620 . 16 1 1 A 58 58 GLY C C 58 173.755 175.619 -1.864 1
1 621 . 16 1 1 A 58 58 GLY CA C 58 46.877 47.231 -0.354 1
1 622 . 16 1 1 A 58 58 GLY N N 58 106.964 113.117 -6.153 1
1 623 . 16 1 1 A 59 59 ALA H H 59 7.900 8.128 -0.228 1
1 624 . 16 1 1 A 59 59 ALA HA H 59 4.516 4.061 0.455 1
1 628 . 16 1 1 A 59 59 ALA C C 59 178.104 177.583 0.521 1
1 629 . 16 1 1 A 59 59 ALA CA C 59 52.713 54.953 -2.240 1
1 630 . 16 1 1 A 59 59 ALA CB C 59 19.380 18.897 0.483 1
1 631 . 16 1 1 A 59 59 ALA N N 59 119.932 124.160 -4.228 1
1 632 . 16 1 1 A 60 60 ARG H H 60 8.306 8.127 0.179 1
1 633 . 16 1 1 A 60 60 ARG HA H 60 4.559 4.705 -0.146 1
1 640 . 16 1 1 A 60 60 ARG C C 60 174.842 176.191 -1.349 1
1 641 . 16 1 1 A 60 60 ARG CA C 60 55.357 55.098 0.259 1
1 642 . 16 1 1 A 60 60 ARG CB C 60 32.823 32.272 0.551 1
1 645 . 16 1 1 A 60 60 ARG N N 60 118.739 116.111 2.628 1
1 646 . 16 1 1 A 61 61 SER H H 61 8.229 8.136 0.093 1
1 647 . 16 1 1 A 61 61 SER HA H 61 3.709 4.232 -0.523 1
1 650 . 16 1 1 A 61 61 SER C C 61 170.973 172.318 -1.345 1
1 651 . 16 1 1 A 61 61 SER CA C 61 56.045 57.225 -1.180 1
1 652 . 16 1 1 A 61 61 SER CB C 61 63.329 63.079 0.250 1
1 653 . 16 1 1 A 61 61 SER N N 61 110.956 116.162 -5.206 1
1 654 . 16 1 1 A 62 62 HIS H H 62 6.458 6.972 -0.514 1
1 655 . 16 1 1 A 62 62 HIS HA H 62 4.626 4.428 0.198 1
1 660 . 16 1 1 A 62 62 HIS C C 62 173.581 173.077 0.504 1
1 661 . 16 1 1 A 62 62 HIS CA C 62 54.494 53.708 0.786 1
1 662 . 16 1 1 A 62 62 HIS CB C 62 32.485 32.212 0.273 1
1 665 . 16 1 1 A 62 62 HIS N N 62 113.571 116.179 -2.608 1
1 666 . 16 1 1 A 63 63 VAL H H 63 8.794 8.593 0.201 1
1 667 . 16 1 1 A 63 63 VAL HA H 63 4.325 4.537 -0.212 1
1 675 . 16 1 1 A 63 63 VAL C C 63 171.906 173.287 -1.381 1
1 676 . 16 1 1 A 63 63 VAL CA C 63 61.052 60.394 0.658 1
1 677 . 16 1 1 A 63 63 VAL CB C 63 34.800 35.495 -0.695 1
1 680 . 16 1 1 A 63 63 VAL N N 63 118.122 119.276 -1.154 1
1 681 . 16 1 1 A 64 64 THR H H 64 8.316 8.718 -0.402 1
1 682 . 16 1 1 A 64 64 THR HA H 64 4.970 5.273 -0.303 1
1 687 . 16 1 1 A 64 64 THR C C 64 173.412 173.189 0.223 1
1 688 . 16 1 1 A 64 64 THR CA C 64 61.775 61.248 0.527 1
1 689 . 16 1 1 A 64 64 THR CB C 64 69.851 72.007 -2.156 1
1 691 . 16 1 1 A 64 64 THR N N 64 122.871 117.479 5.392 1
1 692 . 16 1 1 A 65 65 LEU H H 65 9.348 8.547 0.801 1
1 693 . 16 1 1 A 65 65 LEU HA H 65 4.584 4.731 -0.147 1
1 703 . 16 1 1 A 65 65 LEU C C 65 173.397 174.867 -1.470 1
1 704 . 16 1 1 A 65 65 LEU CA C 65 50.297 51.275 -0.978 1
1 705 . 16 1 1 A 65 65 LEU CB C 65 41.547 42.358 -0.811 1
1 709 . 16 1 1 A 65 65 LEU N N 65 129.778 126.662 3.116 1
1 710 . 16 1 1 A 66 66 PRO HA H 66 4.868 4.592 0.276 1
1 717 . 16 1 1 A 66 66 PRO C C 66 175.188 176.232 -1.044 1
1 718 . 16 1 1 A 66 66 PRO CA C 66 61.370 62.664 -1.294 1
1 719 . 16 1 1 A 66 66 PRO CB C 66 33.700 32.685 1.015 1
1 722 . 16 1 1 A 67 67 ASP H H 67 8.729 8.812 -0.083 1
1 723 . 16 1 1 A 67 67 ASP HA H 67 4.333 4.093 0.240 1
1 726 . 16 1 1 A 67 67 ASP C C 67 175.824 174.986 0.838 1
1 727 . 16 1 1 A 67 67 ASP CA C 67 55.181 54.732 0.449 1
1 728 . 16 1 1 A 67 67 ASP CB C 67 39.225 39.662 -0.437 1
1 729 . 16 1 1 A 67 67 ASP N N 67 113.984 116.180 -2.196 1
1 730 . 16 1 1 A 68 68 LEU H H 68 8.599 7.407 1.192 1
1 731 . 16 1 1 A 68 68 LEU HA H 68 4.414 4.800 -0.386 1
1 741 . 16 1 1 A 68 68 LEU C C 68 176.487 176.339 0.148 1
1 742 . 16 1 1 A 68 68 LEU CA C 68 53.259 53.127 0.132 1
1 743 . 16 1 1 A 68 68 LEU CB C 68 41.630 43.938 -2.308 1
1 747 . 16 1 1 A 68 68 LEU N N 68 118.102 118.747 -0.645 1
1 748 . 16 1 1 A 69 69 GLN H H 69 8.114 8.790 -0.676 1
1 749 . 16 1 1 A 69 69 GLN HA H 69 4.349 4.803 -0.454 1
1 756 . 16 1 1 A 69 69 GLN C C 69 175.669 175.258 0.411 1
1 757 . 16 1 1 A 69 69 GLN CA C 69 54.722 54.547 0.175 1
1 758 . 16 1 1 A 69 69 GLN CB C 69 30.803 31.224 -0.421 1
1 760 . 16 1 1 A 69 69 GLN N N 69 118.191 120.003 -1.812 1
1 762 . 16 1 1 A 70 70 ALA H H 70 8.240 8.720 -0.480 1
1 763 . 16 1 1 A 70 70 ALA HA H 70 4.835 4.865 -0.030 1
1 767 . 16 1 1 A 70 70 ALA C C 70 178.720 177.052 1.668 1
1 768 . 16 1 1 A 70 70 ALA CA C 70 52.501 50.484 2.017 1
1 769 . 16 1 1 A 70 70 ALA CB C 70 20.257 21.571 -1.314 1
1 770 . 16 1 1 A 70 70 ALA N N 70 124.989 121.548 3.441 1
1 771 . 16 1 1 A 71 71 ALA H H 71 8.003 8.115 -0.112 1
1 772 . 16 1 1 A 71 71 ALA HA H 71 3.974 3.865 0.109 1
1 776 . 16 1 1 A 71 71 ALA C C 71 176.118 176.016 0.102 1
1 777 . 16 1 1 A 71 71 ALA CA C 71 52.491 53.130 -0.639 1
1 778 . 16 1 1 A 71 71 ALA CB C 71 18.439 17.822 0.617 1
1 779 . 16 1 1 A 71 71 ALA N N 71 128.133 120.636 7.497 1
1 780 . 16 1 1 A 72 72 THR H H 72 8.391 7.622 0.769 1
1 781 . 16 1 1 A 72 72 THR HA H 72 4.563 4.913 -0.350 1
1 786 . 16 1 1 A 72 72 THR C C 72 172.643 173.729 -1.086 1
1 787 . 16 1 1 A 72 72 THR CA C 72 62.856 60.731 2.125 1
1 788 . 16 1 1 A 72 72 THR CB C 72 71.924 72.499 -0.575 1
1 790 . 16 1 1 A 72 72 THR N N 72 114.280 111.073 3.207 1
1 791 . 16 1 1 A 73 73 LYS H H 73 8.691 8.315 0.376 1
1 792 . 16 1 1 A 73 73 LYS HA H 73 4.846 4.803 0.043 1
1 801 . 16 1 1 A 73 73 LYS C C 73 176.405 175.330 1.075 1
1 802 . 16 1 1 A 73 73 LYS CA C 73 55.992 56.001 -0.009 1
1 803 . 16 1 1 A 73 73 LYS CB C 73 33.535 34.552 -1.017 1
1 807 . 16 1 1 A 73 73 LYS N N 73 125.989 124.429 1.560 1
1 808 . 16 1 1 A 74 74 TYR H H 74 9.569 8.777 0.792 1
1 809 . 16 1 1 A 74 74 TYR HA H 74 4.758 5.313 -0.555 1
1 816 . 16 1 1 A 74 74 TYR C C 74 173.567 174.781 -1.214 1
1 817 . 16 1 1 A 74 74 TYR CA C 74 58.778 56.544 2.234 1
1 818 . 16 1 1 A 74 74 TYR CB C 74 42.667 41.777 0.890 1
1 823 . 16 1 1 A 74 74 TYR N N 74 126.436 117.589 8.847 1
1 824 . 16 1 1 A 75 75 ARG H H 75 9.005 9.178 -0.173 1
1 825 . 16 1 1 A 75 75 ARG HA H 75 5.053 4.453 0.600 1
1 832 . 16 1 1 A 75 75 ARG C C 75 175.042 174.862 0.180 1
1 833 . 16 1 1 A 75 75 ARG CA C 75 55.027 56.146 -1.119 1
1 834 . 16 1 1 A 75 75 ARG CB C 75 32.284 30.093 2.191 1
1 837 . 16 1 1 A 75 75 ARG N N 75 121.560 125.573 -4.013 1
1 838 . 16 1 1 A 76 76 VAL H H 76 9.127 8.816 0.311 1
1 839 . 16 1 1 A 76 76 VAL HA H 76 4.977 4.436 0.541 1
1 847 . 16 1 1 A 76 76 VAL C C 76 173.144 175.304 -2.160 1
1 848 . 16 1 1 A 76 76 VAL CA C 76 60.876 62.922 -2.046 1
1 849 . 16 1 1 A 76 76 VAL CB C 76 34.922 30.851 4.071 1
1 852 . 16 1 1 A 76 76 VAL N N 76 127.571 126.550 1.021 1
1 853 . 16 1 1 A 77 77 LEU H H 77 9.083 9.302 -0.219 1
1 854 . 16 1 1 A 77 77 LEU HA H 77 5.350 5.194 0.156 1
1 864 . 16 1 1 A 77 77 LEU C C 77 176.622 175.647 0.975 1
1 865 . 16 1 1 A 77 77 LEU CA C 77 53.911 53.601 0.310 1
1 866 . 16 1 1 A 77 77 LEU CB C 77 44.959 41.434 3.525 1
1 870 . 16 1 1 A 77 77 LEU N N 77 127.310 129.170 -1.860 1
1 871 . 16 1 1 A 78 78 VAL H H 78 8.918 8.692 0.226 1
1 872 . 16 1 1 A 78 78 VAL HA H 78 4.890 4.759 0.131 1
1 880 . 16 1 1 A 78 78 VAL C C 78 174.235 174.761 -0.526 1
1 881 . 16 1 1 A 78 78 VAL CA C 78 61.193 60.897 0.296 1
1 882 . 16 1 1 A 78 78 VAL CB C 78 34.718 33.391 1.327 1
1 885 . 16 1 1 A 78 78 VAL N N 78 119.228 126.435 -7.207 1
1 886 . 16 1 1 A 79 79 SER H H 79 8.598 8.797 -0.199 1
1 887 . 16 1 1 A 79 79 SER HA H 79 4.725 5.093 -0.368 1
1 890 . 16 1 1 A 79 79 SER C C 79 172.877 172.418 0.459 1
1 891 . 16 1 1 A 79 79 SER CA C 79 56.680 57.240 -0.560 1
1 892 . 16 1 1 A 79 79 SER CB C 79 65.806 66.504 -0.698 1
1 893 . 16 1 1 A 79 79 SER N N 79 119.664 119.157 0.507 1
1 894 . 16 1 1 A 80 80 ALA H H 80 8.939 8.266 0.673 1
1 895 . 16 1 1 A 80 80 ALA HA H 80 4.325 4.752 -0.427 1
1 899 . 16 1 1 A 80 80 ALA C C 80 174.050 176.129 -2.079 1
1 900 . 16 1 1 A 80 80 ALA CA C 80 51.126 51.007 0.119 1
1 901 . 16 1 1 A 80 80 ALA CB C 80 21.990 20.030 1.960 1
1 902 . 16 1 1 A 80 80 ALA N N 80 126.283 126.867 -0.584 1
1 903 . 16 1 1 A 81 81 ILE H H 81 8.424 8.403 0.021 1
1 904 . 16 1 1 A 81 81 ILE HA H 81 4.116 4.462 -0.346 1
1 914 . 16 1 1 A 81 81 ILE C C 81 173.862 174.411 -0.549 1
1 915 . 16 1 1 A 81 81 ILE CA C 81 61.175 60.060 1.115 1
1 916 . 16 1 1 A 81 81 ILE CB C 81 36.015 38.056 -2.041 1
1 920 . 16 1 1 A 81 81 ILE N N 81 123.033 123.151 -0.118 1
1 921 . 16 1 1 A 82 82 TYR H H 82 8.377 9.034 -0.657 1
1 922 . 16 1 1 A 82 82 TYR HA H 82 4.681 4.810 -0.129 1
1 929 . 16 1 1 A 82 82 TYR C C 82 176.146 176.651 -0.505 1
1 930 . 16 1 1 A 82 82 TYR CA C 82 56.309 57.092 -0.783 1
1 931 . 16 1 1 A 82 82 TYR CB C 82 40.734 41.397 -0.663 1
1 936 . 16 1 1 A 82 82 TYR N N 82 125.168 126.733 -1.565 1
1 937 . 16 1 1 A 83 83 ALA H H 83 9.437 9.024 0.413 1
1 938 . 16 1 1 A 83 83 ALA HA H 83 4.059 4.073 -0.014 1
1 942 . 16 1 1 A 83 83 ALA C C 83 179.312 180.181 -0.869 1
1 943 . 16 1 1 A 83 83 ALA CA C 83 55.729 55.539 0.190 1
1 944 . 16 1 1 A 83 83 ALA CB C 83 17.613 18.155 -0.542 1
1 945 . 16 1 1 A 83 83 ALA N N 83 125.234 124.263 0.971 1
1 946 . 16 1 1 A 84 84 ALA H H 84 7.823 7.864 -0.041 1
1 947 . 16 1 1 A 84 84 ALA HA H 84 4.434 4.136 0.298 1
1 951 . 16 1 1 A 84 84 ALA C C 84 176.808 177.442 -0.634 1
1 952 . 16 1 1 A 84 84 ALA CA C 84 51.936 54.531 -2.595 1
1 953 . 16 1 1 A 84 84 ALA CB C 84 19.514 19.895 -0.381 1
1 954 . 16 1 1 A 84 84 ALA N N 84 114.587 120.486 -5.899 1
1 955 . 16 1 1 A 85 85 GLY H H 85 7.366 7.396 -0.030 1
1 956 . 16 1 1 A 85 85 GLY HA2 H 85 4.362 4.025 0.337 1
1 957 . 16 1 1 A 85 85 GLY HA3 H 85 3.835 4.036 -0.201 1
1 958 . 16 1 1 A 85 85 GLY C C 85 171.544 171.793 -0.249 1
1 959 . 16 1 1 A 85 85 GLY CA C 85 44.576 45.779 -1.203 1
1 960 . 16 1 1 A 85 85 GLY N N 85 105.342 102.004 3.338 1
1 961 . 16 1 1 A 86 86 ARG H H 86 8.626 8.353 0.273 1
1 962 . 16 1 1 A 86 86 ARG HA H 86 5.263 5.332 -0.069 1
1 969 . 16 1 1 A 86 86 ARG C C 86 176.925 176.063 0.862 1
1 970 . 16 1 1 A 86 86 ARG CA C 86 54.863 55.433 -0.570 1
1 971 . 16 1 1 A 86 86 ARG CB C 86 33.491 31.615 1.876 1
1 974 . 16 1 1 A 86 86 ARG N N 86 118.147 117.169 0.978 1
1 975 . 16 1 1 A 87 87 SER H H 87 9.496 9.293 0.203 1
1 976 . 16 1 1 A 87 87 SER HA H 87 4.747 4.662 0.085 1
1 979 . 16 1 1 A 87 87 SER C C 87 174.538 174.533 0.005 1
1 980 . 16 1 1 A 87 87 SER CA C 87 58.284 57.952 0.332 1
1 981 . 16 1 1 A 87 87 SER CB C 87 67.271 65.725 1.546 1
1 982 . 16 1 1 A 87 87 SER N N 87 119.835 114.755 5.080 1
1 983 . 16 1 1 A 88 88 GLU H H 88 9.058 8.576 0.482 1
1 984 . 16 1 1 A 88 88 GLU HA H 88 4.342 4.219 0.123 1
1 989 . 16 1 1 A 88 88 GLU C C 88 176.157 175.781 0.376 1
1 990 . 16 1 1 A 88 88 GLU CA C 88 56.874 55.833 1.041 1
1 991 . 16 1 1 A 88 88 GLU CB C 88 30.350 30.234 0.116 1
1 993 . 16 1 1 A 88 88 GLU N N 88 119.700 119.809 -0.109 1
1 994 . 16 1 1 A 89 89 ALA H H 89 8.674 8.479 0.195 1
1 995 . 16 1 1 A 89 89 ALA HA H 89 4.918 5.574 -0.656 1
1 999 . 16 1 1 A 89 89 ALA C C 89 178.887 176.028 2.859 1
1 1000 . 16 1 1 A 89 89 ALA CA C 89 51.340 50.521 0.819 1
1 1001 . 16 1 1 A 89 89 ALA CB C 89 20.130 22.058 -1.928 1
1 1002 . 16 1 1 A 89 89 ALA N N 89 125.485 122.060 3.425 1
1 1003 . 16 1 1 A 90 90 VAL H H 90 8.621 8.693 -0.072 1
1 1004 . 16 1 1 A 90 90 VAL HA H 90 4.562 4.830 -0.268 1
1 1012 . 16 1 1 A 90 90 VAL C C 90 174.251 175.577 -1.326 1
1 1013 . 16 1 1 A 90 90 VAL CA C 90 60.365 60.477 -0.112 1
1 1014 . 16 1 1 A 90 90 VAL CB C 90 33.770 33.627 0.143 1
1 1017 . 16 1 1 A 90 90 VAL N N 90 119.440 119.105 0.335 1
1 1018 . 16 1 1 A 91 91 SER H H 91 8.373 8.800 -0.427 1
1 1019 . 16 1 1 A 91 91 SER HA H 91 5.877 4.932 0.945 1
1 1022 . 16 1 1 A 91 91 SER C C 91 174.245 173.627 0.618 1
1 1023 . 16 1 1 A 91 91 SER CA C 91 56.109 57.570 -1.461 1
1 1024 . 16 1 1 A 91 91 SER CB C 91 67.620 64.979 2.641 1
1 1025 . 16 1 1 A 91 91 SER N N 91 116.084 120.793 -4.709 1
1 1026 . 16 1 1 A 92 92 ALA H H 92 8.900 8.786 0.114 1
1 1027 . 16 1 1 A 92 92 ALA HA H 92 4.681 4.903 -0.222 1
1 1031 . 16 1 1 A 92 92 ALA C C 92 175.187 176.104 -0.917 1
1 1032 . 16 1 1 A 92 92 ALA CA C 92 51.990 51.963 0.027 1
1 1033 . 16 1 1 A 92 92 ALA CB C 92 23.056 21.544 1.512 1
1 1034 . 16 1 1 A 92 92 ALA N N 92 123.885 121.992 1.893 1
1 1035 . 16 1 1 A 93 93 THR H H 93 8.466 8.773 -0.307 1
1 1036 . 16 1 1 A 93 93 THR HA H 93 5.623 5.051 0.572 1
1 1041 . 16 1 1 A 93 93 THR C C 93 174.366 173.916 0.450 1
1 1042 . 16 1 1 A 93 93 THR CA C 93 60.154 60.890 -0.736 1
1 1043 . 16 1 1 A 93 93 THR CB C 93 71.657 70.070 1.587 1
1 1045 . 16 1 1 A 93 93 THR N N 93 112.591 115.770 -3.179 1
1 1046 . 16 1 1 A 94 94 GLY H H 94 8.657 8.975 -0.318 1
1 1047 . 16 1 1 A 94 94 GLY HA2 H 94 4.483 4.217 0.266 1
1 1048 . 16 1 1 A 94 94 GLY HA3 H 94 3.625 4.227 -0.602 1
1 1049 . 16 1 1 A 94 94 GLY C C 94 170.518 173.475 -2.957 1
1 1050 . 16 1 1 A 94 94 GLY CA C 94 44.849 45.330 -0.481 1
1 1051 . 16 1 1 A 94 94 GLY N N 94 111.375 111.598 -0.223 1
1 1052 . 16 1 1 A 95 95 GLN H H 95 8.667 8.745 -0.078 1
1 1053 . 16 1 1 A 95 95 GLN HA H 95 5.491 4.376 1.115 1
1 1060 . 16 1 1 A 95 95 GLN C C 95 176.226 175.256 0.970 1
1 1061 . 16 1 1 A 95 95 GLN CA C 95 54.000 56.526 -2.526 1
1 1062 . 16 1 1 A 95 95 GLN CB C 95 32.822 29.170 3.652 1
1 1064 . 16 1 1 A 95 95 GLN N N 95 120.893 126.413 -5.520 1
1 1066 . 16 1 1 A 96 96 THR H H 96 8.609 8.864 -0.255 1
1 1067 . 16 1 1 A 96 96 THR HA H 96 4.384 4.546 -0.162 1
1 1072 . 16 1 1 A 96 96 THR C C 96 175.194 174.386 0.808 1
1 1073 . 16 1 1 A 96 96 THR CA C 96 60.783 61.522 -0.739 1
1 1074 . 16 1 1 A 96 96 THR CB C 96 70.198 71.269 -1.071 1
1 1076 . 16 1 1 A 96 96 THR N N 96 115.777 116.511 -0.734 1
1 1077 . 16 1 1 A 97 97 ALA H H 97 8.009 8.194 -0.185 1
1 1078 . 16 1 1 A 97 97 ALA HA H 97 4.186 4.387 -0.201 1
1 1082 . 16 1 1 A 97 97 ALA C C 97 176.174 177.848 -1.674 1
1 1083 . 16 1 1 A 97 97 ALA CA C 97 52.077 51.846 0.231 1
1 1084 . 16 1 1 A 97 97 ALA CB C 97 19.001 19.212 -0.211 1
1 1085 . 16 1 1 A 97 97 ALA N N 97 120.015 123.129 -3.114 1
1 1086 . 16 1 1 A 98 98 CYS H H 98 8.239 8.821 -0.582 1
1 1087 . 16 1 1 A 98 98 CYS HA H 98 4.705 4.580 0.125 1
1 1090 . 16 1 1 A 98 98 CYS C C 98 173.203 174.909 -1.706 1
1 1091 . 16 1 1 A 98 98 CYS CA C 98 56.644 58.722 -2.078 1
1 1092 . 16 1 1 A 98 98 CYS CB C 98 27.357 26.776 0.581 1
1 1093 . 16 1 1 A 98 98 CYS N N 98 116.874 121.121 -4.247 1
1 1094 . 16 1 1 A 99 99 PRO HA H 99 4.421 4.482 -0.061 1
1 1101 . 16 1 1 A 99 99 PRO CA C 99 63.337 64.174 -0.837 1
1 1102 . 16 1 1 A 99 99 PRO CB C 99 32.132 31.540 0.592 1
1 1105 . 16 1 1 A 100 100 SER H H 100 8.463 7.555 0.908 1
1 1106 . 16 1 1 A 100 100 SER HA H 100 4.470 4.870 -0.400 1
1 1109 . 16 1 1 A 100 100 SER CA C 100 58.453 56.658 1.795 1
1 1110 . 16 1 1 A 100 100 SER CB C 100 64.023 65.797 -1.774 1
1 1111 . 16 1 1 A 100 100 SER N N 100 116.426 110.986 5.440 1
1 1112 . 16 1 1 A 101 101 GLY H H 101 8.237 8.500 -0.263 1
1 1113 . 16 1 1 A 101 101 GLY HA2 H 101 4.165 4.224 -0.059 1
1 1114 . 16 1 1 A 101 101 GLY HA3 H 101 4.100 4.224 -0.124 1
1 1115 . 16 1 1 A 101 101 GLY CA C 101 44.647 43.899 0.748 1
1 1116 . 16 1 1 A 101 101 GLY N N 101 110.731 107.653 3.078 1
1 1117 . 16 1 1 A 102 102 PRO HA H 102 4.484 4.476 0.008 1
1 1123 . 16 1 1 A 102 102 PRO CA C 102 63.069 63.815 -0.746 1
1 1124 . 16 1 1 A 102 102 PRO CB C 102 32.189 32.120 0.069 1
1 1127 . 16 1 1 A 103 103 SER H H 103 8.540 8.366 0.174 1
1 1 . 17 1 1 A 5 5 SER N N 5 119.122 122.036 -2.914 1
1 2 . 17 1 1 A 6 6 SER N N 6 123.945 120.536 3.409 1
1 3 . 17 1 1 A 7 7 GLY HA2 H 7 3.813 3.883 -0.070 1
1 4 . 17 1 1 A 7 7 GLY HA3 H 7 3.813 3.884 -0.071 1
1 5 . 17 1 1 A 7 7 GLY CA C 7 45.375 45.275 0.100 1
1 6 . 17 1 1 A 8 8 ARG H H 8 7.999 7.685 0.314 1
1 7 . 17 1 1 A 8 8 ARG HA H 8 3.712 3.413 0.299 1
1 14 . 17 1 1 A 8 8 ARG CA C 8 54.185 54.921 -0.736 1
1 15 . 17 1 1 A 8 8 ARG CB C 8 29.555 30.828 -1.273 1
1 18 . 17 1 1 A 8 8 ARG N N 8 121.209 119.163 2.046 1
1 19 . 17 1 1 A 9 9 SER H H 9 7.810 8.656 -0.846 1
1 20 . 17 1 1 A 9 9 SER HA H 9 4.725 5.056 -0.331 1
1 23 . 17 1 1 A 9 9 SER CA C 9 58.455 54.576 3.879 1
1 24 . 17 1 1 A 9 9 SER CB C 9 62.966 64.734 -1.768 1
1 25 . 17 1 1 A 9 9 SER N N 9 118.072 121.997 -3.925 1
1 26 . 17 1 1 A 10 10 PRO HA H 10 5.182 5.082 0.100 1
1 33 . 17 1 1 A 10 10 PRO CA C 10 61.759 61.291 0.468 1
1 34 . 17 1 1 A 10 10 PRO CB C 10 30.280 31.462 -1.182 1
1 37 . 17 1 1 A 11 11 PRO HA H 11 4.567 4.708 -0.141 1
1 44 . 17 1 1 A 11 11 PRO C C 11 173.556 175.749 -2.193 1
1 45 . 17 1 1 A 11 11 PRO CA C 11 62.674 62.575 0.099 1
1 46 . 17 1 1 A 11 11 PRO CB C 11 33.026 32.477 0.549 1
1 49 . 17 1 1 A 12 12 SER H H 12 8.427 8.521 -0.094 1
1 50 . 17 1 1 A 12 12 SER HA H 12 4.890 5.009 -0.119 1
1 53 . 17 1 1 A 12 12 SER C C 12 173.115 173.665 -0.550 1
1 54 . 17 1 1 A 12 12 SER CA C 12 56.556 57.047 -0.491 1
1 55 . 17 1 1 A 12 12 SER CB C 12 66.882 66.615 0.267 1
1 56 . 17 1 1 A 12 12 SER N N 12 111.345 116.522 -5.177 1
1 57 . 17 1 1 A 13 13 ASN H H 13 8.973 8.773 0.200 1
1 58 . 17 1 1 A 13 13 ASN HA H 13 4.318 4.272 0.046 1
1 63 . 17 1 1 A 13 13 ASN C C 13 173.850 174.671 -0.821 1
1 64 . 17 1 1 A 13 13 ASN CA C 13 53.928 54.201 -0.273 1
1 65 . 17 1 1 A 13 13 ASN CB C 13 37.365 36.946 0.419 1
1 66 . 17 1 1 A 13 13 ASN N N 13 115.970 116.903 -0.933 1
1 68 . 17 1 1 A 14 14 LEU H H 14 8.223 8.250 -0.027 1
1 69 . 17 1 1 A 14 14 LEU HA H 14 4.857 4.445 0.412 1
1 79 . 17 1 1 A 14 14 LEU C C 14 176.725 177.042 -0.317 1
1 80 . 17 1 1 A 14 14 LEU CA C 14 56.115 56.006 0.109 1
1 81 . 17 1 1 A 14 14 LEU CB C 14 42.621 41.859 0.762 1
1 85 . 17 1 1 A 14 14 LEU N N 14 119.681 120.095 -0.414 1
1 86 . 17 1 1 A 15 15 ALA H H 15 9.364 8.444 0.920 1
1 87 . 17 1 1 A 15 15 ALA HA H 15 4.736 5.036 -0.300 1
1 91 . 17 1 1 A 15 15 ALA C C 15 175.056 175.476 -0.420 1
1 92 . 17 1 1 A 15 15 ALA CA C 15 51.496 50.729 0.767 1
1 93 . 17 1 1 A 15 15 ALA CB C 15 22.285 20.724 1.561 1
1 94 . 17 1 1 A 15 15 ALA N N 15 130.359 125.704 4.655 1
1 95 . 17 1 1 A 16 16 LEU H H 16 8.448 9.093 -0.645 1
1 96 . 17 1 1 A 16 16 LEU HA H 16 5.385 5.135 0.250 1
1 106 . 17 1 1 A 16 16 LEU C C 16 175.868 175.629 0.239 1
1 107 . 17 1 1 A 16 16 LEU CA C 16 53.224 53.769 -0.545 1
1 108 . 17 1 1 A 16 16 LEU CB C 16 45.061 42.148 2.913 1
1 112 . 17 1 1 A 16 16 LEU N N 16 120.470 124.202 -3.732 1
1 113 . 17 1 1 A 17 17 ALA H H 17 8.737 9.465 -0.728 1
1 114 . 17 1 1 A 17 17 ALA HA H 17 4.620 5.356 -0.736 1
1 118 . 17 1 1 A 17 17 ALA C C 17 175.371 175.104 0.267 1
1 119 . 17 1 1 A 17 17 ALA CA C 17 51.249 50.138 1.111 1
1 120 . 17 1 1 A 17 17 ALA CB C 17 22.570 21.408 1.162 1
1 121 . 17 1 1 A 17 17 ALA N N 17 124.938 128.729 -3.791 1
1 122 . 17 1 1 A 18 18 SER H H 18 8.675 8.807 -0.132 1
1 123 . 17 1 1 A 18 18 SER HA H 18 5.021 4.708 0.313 1
1 126 . 17 1 1 A 18 18 SER C C 18 174.678 175.213 -0.535 1
1 127 . 17 1 1 A 18 18 SER CA C 18 57.244 56.748 0.496 1
1 128 . 17 1 1 A 18 18 SER CB C 18 64.200 63.807 0.393 1
1 129 . 17 1 1 A 18 18 SER N N 18 113.933 118.495 -4.562 1
1 130 . 17 1 1 A 19 19 GLU H H 19 9.743 8.808 0.935 1
1 131 . 17 1 1 A 19 19 GLU HA H 19 4.466 4.575 -0.109 1
1 136 . 17 1 1 A 19 19 GLU C C 19 176.368 176.273 0.095 1
1 137 . 17 1 1 A 19 19 GLU CA C 19 56.295 56.662 -0.367 1
1 138 . 17 1 1 A 19 19 GLU CB C 19 31.532 31.009 0.523 1
1 140 . 17 1 1 A 19 19 GLU N N 19 127.234 124.690 2.544 1
1 141 . 17 1 1 A 20 20 THR H H 20 7.759 7.128 0.631 1
1 142 . 17 1 1 A 20 20 THR HA H 20 4.935 4.689 0.246 1
1 147 . 17 1 1 A 20 20 THR C C 20 171.770 173.775 -2.005 1
1 148 . 17 1 1 A 20 20 THR CA C 20 58.337 58.317 0.020 1
1 149 . 17 1 1 A 20 20 THR CB C 20 69.869 71.807 -1.938 1
1 151 . 17 1 1 A 20 20 THR N N 20 109.600 113.781 -4.181 1
1 152 . 17 1 1 A 21 21 PRO HA H 21 4.587 4.518 0.069 1
1 159 . 17 1 1 A 21 21 PRO C C 21 173.647 176.711 -3.064 1
1 160 . 17 1 1 A 21 21 PRO CA C 21 64.332 64.197 0.135 1
1 161 . 17 1 1 A 21 21 PRO CB C 21 32.380 31.626 0.754 1
1 164 . 17 1 1 A 22 22 ASP H H 22 7.420 8.212 -0.792 1
1 165 . 17 1 1 A 22 22 ASP HA H 22 4.648 5.303 -0.655 1
1 168 . 17 1 1 A 22 22 ASP C C 22 175.838 175.217 0.621 1
1 169 . 17 1 1 A 22 22 ASP CA C 22 51.037 53.717 -2.680 1
1 170 . 17 1 1 A 22 22 ASP CB C 22 42.177 42.309 -0.132 1
1 171 . 17 1 1 A 22 22 ASP N N 22 107.201 117.796 -10.595 1
1 172 . 17 1 1 A 23 23 SER H H 23 7.729 7.647 0.082 1
1 173 . 17 1 1 A 23 23 SER HA H 23 5.474 5.351 0.123 1
1 176 . 17 1 1 A 23 23 SER C C 23 171.887 172.234 -0.347 1
1 177 . 17 1 1 A 23 23 SER CA C 23 57.481 57.437 0.044 1
1 178 . 17 1 1 A 23 23 SER CB C 23 68.168 66.761 1.407 1
1 179 . 17 1 1 A 23 23 SER N N 23 112.046 113.163 -1.117 1
1 180 . 17 1 1 A 24 24 LEU H H 24 7.884 8.348 -0.464 1
1 181 . 17 1 1 A 24 24 LEU HA H 24 4.769 4.778 -0.009 1
1 191 . 17 1 1 A 24 24 LEU C C 24 174.542 174.677 -0.135 1
1 192 . 17 1 1 A 24 24 LEU CA C 24 53.576 54.022 -0.446 1
1 193 . 17 1 1 A 24 24 LEU CB C 24 47.616 45.423 2.193 1
1 197 . 17 1 1 A 24 24 LEU N N 24 119.324 124.524 -5.200 1
1 198 . 17 1 1 A 25 25 GLN H H 25 9.356 9.117 0.239 1
1 199 . 17 1 1 A 25 25 GLN HA H 25 4.747 4.514 0.233 1
1 206 . 17 1 1 A 25 25 GLN C C 25 174.824 174.997 -0.173 1
1 207 . 17 1 1 A 25 25 GLN CA C 25 55.533 55.926 -0.393 1
1 208 . 17 1 1 A 25 25 GLN CB C 25 29.759 29.838 -0.079 1
1 210 . 17 1 1 A 25 25 GLN N N 25 124.019 128.106 -4.087 1
1 212 . 17 1 1 A 26 26 VAL H H 26 9.020 8.451 0.569 1
1 213 . 17 1 1 A 26 26 VAL HA H 26 4.824 4.974 -0.150 1
1 221 . 17 1 1 A 26 26 VAL C C 26 174.556 173.494 1.062 1
1 222 . 17 1 1 A 26 26 VAL CA C 26 60.629 60.363 0.266 1
1 223 . 17 1 1 A 26 26 VAL CB C 26 33.355 35.137 -1.782 1
1 226 . 17 1 1 A 26 26 VAL N N 26 127.649 124.851 2.798 1
1 227 . 17 1 1 A 27 27 SER H H 27 9.056 8.562 0.494 1
1 228 . 17 1 1 A 27 27 SER HA H 27 4.857 5.046 -0.189 1
1 231 . 17 1 1 A 27 27 SER C C 27 172.328 173.001 -0.673 1
1 232 . 17 1 1 A 27 27 SER CA C 27 57.138 56.855 0.283 1
1 233 . 17 1 1 A 27 27 SER CB C 27 66.864 66.978 -0.114 1
1 234 . 17 1 1 A 27 27 SER N N 27 119.826 124.937 -5.111 1
1 235 . 17 1 1 A 28 28 TRP H H 28 7.584 8.097 -0.513 1
1 236 . 17 1 1 A 28 28 TRP HA H 28 5.022 5.354 -0.332 1
1 245 . 17 1 1 A 28 28 TRP C C 28 174.055 172.772 1.283 1
1 246 . 17 1 1 A 28 28 TRP CA C 28 56.609 55.688 0.921 1
1 247 . 17 1 1 A 28 28 TRP CB C 28 29.814 31.153 -1.339 1
1 253 . 17 1 1 A 28 28 TRP N N 28 115.280 119.899 -4.619 1
1 255 . 17 1 1 A 29 29 THR H H 29 9.293 9.171 0.122 1
1 256 . 17 1 1 A 29 29 THR HA H 29 4.865 4.807 0.058 1
1 261 . 17 1 1 A 29 29 THR C C 29 173.203 173.483 -0.280 1
1 262 . 17 1 1 A 29 29 THR CA C 29 59.889 59.400 0.489 1
1 263 . 17 1 1 A 29 29 THR CB C 29 69.774 69.947 -0.173 1
1 265 . 17 1 1 A 29 29 THR N N 29 117.164 115.412 1.752 1
1 266 . 17 1 1 A 30 30 PRO HA H 30 4.809 4.851 -0.042 1
1 273 . 17 1 1 A 30 30 PRO CA C 30 61.701 61.907 -0.206 1
1 274 . 17 1 1 A 30 30 PRO CB C 30 32.114 32.460 -0.346 1
1 277 . 17 1 1 A 31 31 PRO HA H 31 4.703 4.733 -0.030 1
1 284 . 17 1 1 A 31 31 PRO C C 31 175.384 176.662 -1.278 1
1 285 . 17 1 1 A 31 31 PRO CA C 31 61.793 62.452 -0.659 1
1 286 . 17 1 1 A 31 31 PRO CB C 31 32.822 33.500 -0.678 1
1 289 . 17 1 1 A 32 32 LEU H H 32 8.312 8.675 -0.363 1
1 290 . 17 1 1 A 32 32 LEU HA H 32 4.333 4.441 -0.108 1
1 300 . 17 1 1 A 32 32 LEU C C 32 177.793 177.361 0.432 1
1 301 . 17 1 1 A 32 32 LEU CA C 32 55.851 57.034 -1.183 1
1 302 . 17 1 1 A 32 32 LEU CB C 32 41.968 42.819 -0.851 1
1 306 . 17 1 1 A 32 32 LEU N N 32 119.044 120.496 -1.452 1
1 307 . 17 1 1 A 33 33 GLY H H 33 8.147 7.816 0.331 1
1 308 . 17 1 1 A 33 33 GLY HA2 H 33 4.210 4.012 0.198 1
1 309 . 17 1 1 A 33 33 GLY HA3 H 33 4.051 4.027 0.024 1
1 310 . 17 1 1 A 33 33 GLY C C 33 172.971 174.037 -1.066 1
1 311 . 17 1 1 A 33 33 GLY CA C 33 44.216 45.425 -1.209 1
1 312 . 17 1 1 A 33 33 GLY N N 33 107.917 107.060 0.857 1
1 313 . 17 1 1 A 34 34 ARG H H 34 8.671 8.634 0.037 1
1 314 . 17 1 1 A 34 34 ARG HA H 34 4.405 4.259 0.146 1
1 321 . 17 1 1 A 34 34 ARG C C 34 174.517 175.428 -0.911 1
1 322 . 17 1 1 A 34 34 ARG CA C 34 55.339 56.375 -1.036 1
1 323 . 17 1 1 A 34 34 ARG CB C 34 29.137 30.572 -1.435 1
1 326 . 17 1 1 A 34 34 ARG N N 34 121.152 121.990 -0.838 1
1 327 . 17 1 1 A 35 35 VAL H H 35 7.825 8.147 -0.322 1
1 328 . 17 1 1 A 35 35 VAL HA H 35 3.060 4.521 -1.461 1
1 336 . 17 1 1 A 35 35 VAL C C 35 176.613 176.062 0.551 1
1 337 . 17 1 1 A 35 35 VAL CA C 35 62.505 59.709 2.796 1
1 338 . 17 1 1 A 35 35 VAL CB C 35 32.534 34.030 -1.496 1
1 341 . 17 1 1 A 35 35 VAL N N 35 126.379 124.635 1.744 1
1 342 . 17 1 1 A 36 36 LEU H H 36 8.874 8.218 0.656 1
1 343 . 17 1 1 A 36 36 LEU HA H 36 4.176 4.006 0.170 1
1 353 . 17 1 1 A 36 36 LEU C C 36 177.540 176.924 0.616 1
1 354 . 17 1 1 A 36 36 LEU CA C 36 57.050 57.971 -0.921 1
1 355 . 17 1 1 A 36 36 LEU CB C 36 41.723 42.281 -0.558 1
1 359 . 17 1 1 A 36 36 LEU N N 36 127.956 130.091 -2.135 1
1 360 . 17 1 1 A 37 37 HIS H H 37 7.231 7.357 -0.126 1
1 361 . 17 1 1 A 37 37 HIS HA H 37 4.615 4.828 -0.213 1
1 366 . 17 1 1 A 37 37 HIS C C 37 171.558 171.667 -0.109 1
1 367 . 17 1 1 A 37 37 HIS CA C 37 55.005 54.390 0.615 1
1 368 . 17 1 1 A 37 37 HIS CB C 37 32.039 32.052 -0.013 1
1 371 . 17 1 1 A 37 37 HIS N N 37 112.948 112.376 0.572 1
1 372 . 17 1 1 A 38 38 TYR H H 38 9.836 8.809 1.027 1
1 373 . 17 1 1 A 38 38 TYR HA H 38 5.165 4.958 0.207 1
1 378 . 17 1 1 A 38 38 TYR C C 38 174.934 174.631 0.303 1
1 379 . 17 1 1 A 38 38 TYR CA C 38 56.698 56.496 0.202 1
1 380 . 17 1 1 A 38 38 TYR CB C 38 40.251 39.313 0.938 1
1 385 . 17 1 1 A 38 38 TYR N N 38 116.581 116.881 -0.300 1
1 386 . 17 1 1 A 39 39 TRP H H 39 8.984 8.719 0.265 1
1 387 . 17 1 1 A 39 39 TRP HA H 39 5.307 4.947 0.360 1
1 396 . 17 1 1 A 39 39 TRP C C 39 173.996 175.198 -1.202 1
1 397 . 17 1 1 A 39 39 TRP CA C 39 55.798 56.811 -1.013 1
1 398 . 17 1 1 A 39 39 TRP CB C 39 31.998 29.273 2.725 1
1 404 . 17 1 1 A 39 39 TRP N N 39 124.201 128.390 -4.189 1
1 406 . 17 1 1 A 40 40 LEU H H 40 8.695 8.563 0.132 1
1 407 . 17 1 1 A 40 40 LEU HA H 40 5.636 4.721 0.915 1
1 417 . 17 1 1 A 40 40 LEU C C 40 175.416 175.120 0.296 1
1 418 . 17 1 1 A 40 40 LEU CA C 40 54.030 53.834 0.196 1
1 419 . 17 1 1 A 40 40 LEU CB C 40 44.846 44.076 0.770 1
1 423 . 17 1 1 A 40 40 LEU N N 40 132.690 129.690 3.000 1
1 424 . 17 1 1 A 41 41 THR H H 41 9.103 8.910 0.193 1
1 425 . 17 1 1 A 41 41 THR HA H 41 5.341 5.015 0.326 1
1 430 . 17 1 1 A 41 41 THR C C 41 173.042 173.189 -0.147 1
1 431 . 17 1 1 A 41 41 THR CA C 41 60.118 60.479 -0.361 1
1 432 . 17 1 1 A 41 41 THR CB C 41 71.493 70.483 1.010 1
1 434 . 17 1 1 A 41 41 THR N N 41 117.923 115.990 1.933 1
1 435 . 17 1 1 A 42 42 TYR H H 42 9.073 8.994 0.079 1
1 436 . 17 1 1 A 42 42 TYR HA H 42 5.915 5.833 0.082 1
1 443 . 17 1 1 A 42 42 TYR C C 42 173.637 174.308 -0.671 1
1 444 . 17 1 1 A 42 42 TYR CA C 42 55.146 55.102 0.044 1
1 445 . 17 1 1 A 42 42 TYR CB C 42 42.124 41.952 0.172 1
1 450 . 17 1 1 A 42 42 TYR N N 42 118.958 122.521 -3.563 1
1 451 . 17 1 1 A 43 43 ALA H H 43 8.508 8.958 -0.450 1
1 452 . 17 1 1 A 43 43 ALA HA H 43 5.099 4.681 0.418 1
1 456 . 17 1 1 A 43 43 ALA C C 43 173.859 174.007 -0.148 1
1 457 . 17 1 1 A 43 43 ALA CA C 43 50.156 50.356 -0.200 1
1 458 . 17 1 1 A 43 43 ALA CB C 43 21.455 22.201 -0.746 1
1 459 . 17 1 1 A 43 43 ALA N N 43 122.386 121.162 1.224 1
1 460 . 17 1 1 A 44 44 PRO HA H 44 4.079 4.482 -0.403 1
1 467 . 17 1 1 A 44 44 PRO C C 44 178.191 176.804 1.387 1
1 468 . 17 1 1 A 44 44 PRO CA C 44 63.194 62.324 0.870 1
1 469 . 17 1 1 A 44 44 PRO CB C 44 31.525 31.366 0.159 1
1 472 . 17 1 1 A 45 45 ALA H H 45 8.934 8.271 0.663 1
1 473 . 17 1 1 A 45 45 ALA HA H 45 3.965 4.007 -0.042 1
1 477 . 17 1 1 A 45 45 ALA C C 45 177.272 177.896 -0.624 1
1 478 . 17 1 1 A 45 45 ALA CA C 45 53.911 53.078 0.833 1
1 479 . 17 1 1 A 45 45 ALA CB C 45 18.221 18.953 -0.732 1
1 480 . 17 1 1 A 45 45 ALA N N 45 129.632 125.541 4.091 1
1 481 . 17 1 1 A 46 46 SER H H 46 8.311 9.073 -0.762 1
1 482 . 17 1 1 A 46 46 SER HA H 46 4.193 4.207 -0.014 1
1 485 . 17 1 1 A 46 46 SER C C 46 175.546 174.678 0.868 1
1 486 . 17 1 1 A 46 46 SER CA C 46 58.584 59.591 -1.007 1
1 487 . 17 1 1 A 46 46 SER CB C 46 63.543 61.880 1.663 1
1 488 . 17 1 1 A 46 46 SER N N 46 111.878 113.528 -1.650 1
1 489 . 17 1 1 A 47 47 GLY H H 47 7.743 8.595 -0.852 1
1 490 . 17 1 1 A 47 47 GLY HA2 H 47 4.203 3.804 0.399 1
1 491 . 17 1 1 A 47 47 GLY HA3 H 47 3.840 3.808 0.032 1
1 492 . 17 1 1 A 47 47 GLY C C 47 174.463 175.343 -0.880 1
1 493 . 17 1 1 A 47 47 GLY CA C 47 45.501 46.818 -1.317 1
1 494 . 17 1 1 A 47 47 GLY N N 47 108.526 105.928 2.598 1
1 495 . 17 1 1 A 48 48 LEU H H 48 7.794 8.647 -0.853 1
1 496 . 17 1 1 A 48 48 LEU HA H 48 4.448 3.886 0.562 1
1 506 . 17 1 1 A 48 48 LEU C C 48 176.668 175.749 0.919 1
1 507 . 17 1 1 A 48 48 LEU CA C 48 54.470 56.198 -1.728 1
1 508 . 17 1 1 A 48 48 LEU CB C 48 41.445 40.489 0.956 1
1 512 . 17 1 1 A 48 48 LEU N N 48 120.348 124.662 -4.314 1
1 513 . 17 1 1 A 49 49 GLY H H 49 7.889 7.414 0.475 1
1 514 . 17 1 1 A 49 49 GLY HA2 H 49 4.266 4.033 0.233 1
1 515 . 17 1 1 A 49 49 GLY HA3 H 49 3.965 4.044 -0.079 1
1 516 . 17 1 1 A 49 49 GLY C C 49 170.653 171.385 -0.732 1
1 517 . 17 1 1 A 49 49 GLY CA C 49 44.151 45.018 -0.867 1
1 518 . 17 1 1 A 49 49 GLY N N 49 108.892 107.423 1.469 1
1 519 . 17 1 1 A 50 50 PRO HA H 50 4.483 4.616 -0.133 1
1 526 . 17 1 1 A 50 50 PRO C C 50 176.143 175.319 0.824 1
1 527 . 17 1 1 A 50 50 PRO CA C 50 62.639 62.525 0.114 1
1 528 . 17 1 1 A 50 50 PRO CB C 50 32.575 33.167 -0.592 1
1 531 . 17 1 1 A 51 51 GLU H H 51 8.463 8.692 -0.229 1
1 532 . 17 1 1 A 51 51 GLU HA H 51 4.560 4.716 -0.156 1
1 537 . 17 1 1 A 51 51 GLU C C 51 175.792 175.510 0.282 1
1 538 . 17 1 1 A 51 51 GLU CA C 51 55.516 55.188 0.328 1
1 539 . 17 1 1 A 51 51 GLU CB C 51 31.305 32.601 -1.296 1
1 541 . 17 1 1 A 51 51 GLU N N 51 121.175 121.702 -0.527 1
1 542 . 17 1 1 A 52 52 LYS H H 52 8.180 7.996 0.184 1
1 543 . 17 1 1 A 52 52 LYS HA H 52 4.511 4.651 -0.140 1
1 552 . 17 1 1 A 52 52 LYS C C 52 174.000 175.238 -1.238 1
1 553 . 17 1 1 A 52 52 LYS CA C 52 54.952 55.209 -0.257 1
1 554 . 17 1 1 A 52 52 LYS CB C 52 36.101 33.780 2.321 1
1 558 . 17 1 1 A 52 52 LYS N N 52 125.598 127.971 -2.373 1
1 559 . 17 1 1 A 53 53 SER H H 53 8.087 8.517 -0.430 1
1 560 . 17 1 1 A 53 53 SER HA H 53 5.637 5.233 0.404 1
1 563 . 17 1 1 A 53 53 SER C C 53 173.704 172.592 1.112 1
1 564 . 17 1 1 A 53 53 SER CA C 53 56.662 57.452 -0.790 1
1 565 . 17 1 1 A 53 53 SER CB C 53 67.219 65.420 1.799 1
1 566 . 17 1 1 A 53 53 SER N N 53 112.778 113.258 -0.480 1
1 567 . 17 1 1 A 54 54 VAL H H 54 8.940 8.802 0.138 1
1 568 . 17 1 1 A 54 54 VAL HA H 54 4.314 4.850 -0.536 1
1 576 . 17 1 1 A 54 54 VAL C C 54 172.304 175.207 -2.903 1
1 577 . 17 1 1 A 54 54 VAL CA C 54 60.506 59.229 1.277 1
1 578 . 17 1 1 A 54 54 VAL CB C 54 36.121 34.464 1.657 1
1 581 . 17 1 1 A 54 54 VAL N N 54 119.961 119.840 0.121 1
1 582 . 17 1 1 A 55 55 SER H H 55 8.180 8.791 -0.611 1
1 583 . 17 1 1 A 55 55 SER HA H 55 5.461 5.178 0.283 1
1 586 . 17 1 1 A 55 55 SER C C 55 174.870 173.992 0.878 1
1 587 . 17 1 1 A 55 55 SER CA C 55 56.065 57.012 -0.947 1
1 588 . 17 1 1 A 55 55 SER CB C 55 64.094 64.920 -0.826 1
1 589 . 17 1 1 A 55 55 SER N N 55 117.963 117.901 0.062 1
1 590 . 17 1 1 A 56 56 VAL H H 56 9.201 8.648 0.553 1
1 591 . 17 1 1 A 56 56 VAL HA H 56 4.780 4.669 0.111 1
1 599 . 17 1 1 A 56 56 VAL C C 56 173.446 173.906 -0.460 1
1 600 . 17 1 1 A 56 56 VAL CA C 56 58.760 59.092 -0.332 1
1 601 . 17 1 1 A 56 56 VAL CB C 56 35.954 35.758 0.196 1
1 604 . 17 1 1 A 56 56 VAL N N 56 127.863 123.337 4.526 1
1 605 . 17 1 1 A 57 57 PRO HA H 57 4.582 4.675 -0.093 1
1 612 . 17 1 1 A 57 57 PRO C C 57 176.776 178.601 -1.825 1
1 613 . 17 1 1 A 57 57 PRO CA C 57 64.226 63.396 0.830 1
1 614 . 17 1 1 A 57 57 PRO CB C 57 33.063 31.799 1.264 1
1 617 . 17 1 1 A 58 58 GLY H H 58 7.663 8.823 -1.160 1
1 618 . 17 1 1 A 58 58 GLY HA2 H 58 3.684 3.665 0.019 1
1 619 . 17 1 1 A 58 58 GLY HA3 H 58 3.620 3.687 -0.067 1
1 620 . 17 1 1 A 58 58 GLY C C 58 173.755 175.518 -1.763 1
1 621 . 17 1 1 A 58 58 GLY CA C 58 46.877 47.192 -0.315 1
1 622 . 17 1 1 A 58 58 GLY N N 58 106.964 113.102 -6.138 1
1 623 . 17 1 1 A 59 59 ALA H H 59 7.900 8.110 -0.210 1
1 624 . 17 1 1 A 59 59 ALA HA H 59 4.516 4.082 0.434 1
1 628 . 17 1 1 A 59 59 ALA C C 59 178.104 177.732 0.372 1
1 629 . 17 1 1 A 59 59 ALA CA C 59 52.713 55.020 -2.307 1
1 630 . 17 1 1 A 59 59 ALA CB C 59 19.380 18.859 0.521 1
1 631 . 17 1 1 A 59 59 ALA N N 59 119.932 124.185 -4.253 1
1 632 . 17 1 1 A 60 60 ARG H H 60 8.306 8.087 0.219 1
1 633 . 17 1 1 A 60 60 ARG HA H 60 4.559 4.751 -0.192 1
1 640 . 17 1 1 A 60 60 ARG C C 60 174.842 175.814 -0.972 1
1 641 . 17 1 1 A 60 60 ARG CA C 60 55.357 55.426 -0.069 1
1 642 . 17 1 1 A 60 60 ARG CB C 60 32.823 32.137 0.686 1
1 645 . 17 1 1 A 60 60 ARG N N 60 118.739 116.269 2.470 1
1 646 . 17 1 1 A 61 61 SER H H 61 8.229 8.765 -0.536 1
1 647 . 17 1 1 A 61 61 SER HA H 61 3.709 4.591 -0.882 1
1 650 . 17 1 1 A 61 61 SER C C 61 170.973 172.434 -1.461 1
1 651 . 17 1 1 A 61 61 SER CA C 61 56.045 57.097 -1.052 1
1 652 . 17 1 1 A 61 61 SER CB C 61 63.329 63.526 -0.197 1
1 653 . 17 1 1 A 61 61 SER N N 61 110.956 112.338 -1.382 1
1 654 . 17 1 1 A 62 62 HIS H H 62 6.458 7.407 -0.949 1
1 655 . 17 1 1 A 62 62 HIS HA H 62 4.626 4.425 0.201 1
1 660 . 17 1 1 A 62 62 HIS C C 62 173.581 173.205 0.376 1
1 661 . 17 1 1 A 62 62 HIS CA C 62 54.494 53.750 0.744 1
1 662 . 17 1 1 A 62 62 HIS CB C 62 32.485 32.419 0.066 1
1 665 . 17 1 1 A 62 62 HIS N N 62 113.571 115.948 -2.377 1
1 666 . 17 1 1 A 63 63 VAL H H 63 8.794 8.667 0.127 1
1 667 . 17 1 1 A 63 63 VAL HA H 63 4.325 4.324 0.001 1
1 675 . 17 1 1 A 63 63 VAL C C 63 171.906 173.277 -1.371 1
1 676 . 17 1 1 A 63 63 VAL CA C 63 61.052 60.121 0.931 1
1 677 . 17 1 1 A 63 63 VAL CB C 63 34.800 35.146 -0.346 1
1 680 . 17 1 1 A 63 63 VAL N N 63 118.122 119.110 -0.988 1
1 681 . 17 1 1 A 64 64 THR H H 64 8.316 8.562 -0.246 1
1 682 . 17 1 1 A 64 64 THR HA H 64 4.970 5.144 -0.174 1
1 687 . 17 1 1 A 64 64 THR C C 64 173.412 173.299 0.113 1
1 688 . 17 1 1 A 64 64 THR CA C 64 61.775 61.403 0.372 1
1 689 . 17 1 1 A 64 64 THR CB C 64 69.851 71.370 -1.519 1
1 691 . 17 1 1 A 64 64 THR N N 64 122.871 119.933 2.938 1
1 692 . 17 1 1 A 65 65 LEU H H 65 9.348 8.558 0.790 1
1 693 . 17 1 1 A 65 65 LEU HA H 65 4.584 4.697 -0.113 1
1 703 . 17 1 1 A 65 65 LEU C C 65 173.397 174.881 -1.484 1
1 704 . 17 1 1 A 65 65 LEU CA C 65 50.297 51.054 -0.757 1
1 705 . 17 1 1 A 65 65 LEU CB C 65 41.547 42.021 -0.474 1
1 709 . 17 1 1 A 65 65 LEU N N 65 129.778 127.389 2.389 1
1 710 . 17 1 1 A 66 66 PRO HA H 66 4.868 4.542 0.326 1
1 717 . 17 1 1 A 66 66 PRO C C 66 175.188 176.557 -1.369 1
1 718 . 17 1 1 A 66 66 PRO CA C 66 61.370 62.529 -1.159 1
1 719 . 17 1 1 A 66 66 PRO CB C 66 33.700 32.667 1.033 1
1 722 . 17 1 1 A 67 67 ASP H H 67 8.729 8.847 -0.118 1
1 723 . 17 1 1 A 67 67 ASP HA H 67 4.333 4.357 -0.024 1
1 726 . 17 1 1 A 67 67 ASP C C 67 175.824 175.053 0.771 1
1 727 . 17 1 1 A 67 67 ASP CA C 67 55.181 54.830 0.351 1
1 728 . 17 1 1 A 67 67 ASP CB C 67 39.225 38.570 0.655 1
1 729 . 17 1 1 A 67 67 ASP N N 67 113.984 121.887 -7.903 1
1 730 . 17 1 1 A 68 68 LEU H H 68 8.599 7.912 0.687 1
1 731 . 17 1 1 A 68 68 LEU HA H 68 4.414 4.825 -0.411 1
1 741 . 17 1 1 A 68 68 LEU C C 68 176.487 175.833 0.654 1
1 742 . 17 1 1 A 68 68 LEU CA C 68 53.259 53.193 0.066 1
1 743 . 17 1 1 A 68 68 LEU CB C 68 41.630 43.824 -2.194 1
1 747 . 17 1 1 A 68 68 LEU N N 68 118.102 119.752 -1.650 1
1 748 . 17 1 1 A 69 69 GLN H H 69 8.114 8.388 -0.274 1
1 749 . 17 1 1 A 69 69 GLN HA H 69 4.349 4.852 -0.503 1
1 756 . 17 1 1 A 69 69 GLN C C 69 175.669 174.284 1.385 1
1 757 . 17 1 1 A 69 69 GLN CA C 69 54.722 54.276 0.446 1
1 758 . 17 1 1 A 69 69 GLN CB C 69 30.803 31.817 -1.014 1
1 760 . 17 1 1 A 69 69 GLN N N 69 118.191 118.451 -0.260 1
1 762 . 17 1 1 A 70 70 ALA H H 70 8.240 8.729 -0.489 1
1 763 . 17 1 1 A 70 70 ALA HA H 70 4.835 4.866 -0.031 1
1 767 . 17 1 1 A 70 70 ALA C C 70 178.720 176.586 2.134 1
1 768 . 17 1 1 A 70 70 ALA CA C 70 52.501 50.201 2.300 1
1 769 . 17 1 1 A 70 70 ALA CB C 70 20.257 22.331 -2.074 1
1 770 . 17 1 1 A 70 70 ALA N N 70 124.989 120.975 4.014 1
1 771 . 17 1 1 A 71 71 ALA H H 71 8.003 8.144 -0.141 1
1 772 . 17 1 1 A 71 71 ALA HA H 71 3.974 3.882 0.092 1
1 776 . 17 1 1 A 71 71 ALA C C 71 176.118 176.002 0.116 1
1 777 . 17 1 1 A 71 71 ALA CA C 71 52.491 52.994 -0.503 1
1 778 . 17 1 1 A 71 71 ALA CB C 71 18.439 17.665 0.774 1
1 779 . 17 1 1 A 71 71 ALA N N 71 128.133 119.377 8.756 1
1 780 . 17 1 1 A 72 72 THR H H 72 8.391 7.552 0.839 1
1 781 . 17 1 1 A 72 72 THR HA H 72 4.563 4.912 -0.349 1
1 786 . 17 1 1 A 72 72 THR C C 72 172.643 173.613 -0.970 1
1 787 . 17 1 1 A 72 72 THR CA C 72 62.856 60.814 2.042 1
1 788 . 17 1 1 A 72 72 THR CB C 72 71.924 72.547 -0.623 1
1 790 . 17 1 1 A 72 72 THR N N 72 114.280 110.816 3.464 1
1 791 . 17 1 1 A 73 73 LYS H H 73 8.691 8.370 0.321 1
1 792 . 17 1 1 A 73 73 LYS HA H 73 4.846 4.981 -0.135 1
1 801 . 17 1 1 A 73 73 LYS C C 73 176.405 175.284 1.121 1
1 802 . 17 1 1 A 73 73 LYS CA C 73 55.992 55.530 0.462 1
1 803 . 17 1 1 A 73 73 LYS CB C 73 33.535 34.979 -1.444 1
1 807 . 17 1 1 A 73 73 LYS N N 73 125.989 124.122 1.867 1
1 808 . 17 1 1 A 74 74 TYR H H 74 9.569 8.915 0.654 1
1 809 . 17 1 1 A 74 74 TYR HA H 74 4.758 5.305 -0.547 1
1 816 . 17 1 1 A 74 74 TYR C C 74 173.567 174.703 -1.136 1
1 817 . 17 1 1 A 74 74 TYR CA C 74 58.778 56.565 2.213 1
1 818 . 17 1 1 A 74 74 TYR CB C 74 42.667 40.848 1.819 1
1 823 . 17 1 1 A 74 74 TYR N N 74 126.436 119.154 7.282 1
1 824 . 17 1 1 A 75 75 ARG H H 75 9.005 9.020 -0.015 1
1 825 . 17 1 1 A 75 75 ARG HA H 75 5.053 4.473 0.580 1
1 832 . 17 1 1 A 75 75 ARG C C 75 175.042 174.848 0.194 1
1 833 . 17 1 1 A 75 75 ARG CA C 75 55.027 56.156 -1.129 1
1 834 . 17 1 1 A 75 75 ARG CB C 75 32.284 30.250 2.034 1
1 837 . 17 1 1 A 75 75 ARG N N 75 121.560 126.229 -4.669 1
1 838 . 17 1 1 A 76 76 VAL H H 76 9.127 8.612 0.515 1
1 839 . 17 1 1 A 76 76 VAL HA H 76 4.977 4.391 0.586 1
1 847 . 17 1 1 A 76 76 VAL C C 76 173.144 175.622 -2.478 1
1 848 . 17 1 1 A 76 76 VAL CA C 76 60.876 62.727 -1.851 1
1 849 . 17 1 1 A 76 76 VAL CB C 76 34.922 31.876 3.046 1
1 852 . 17 1 1 A 76 76 VAL N N 76 127.571 126.624 0.947 1
1 853 . 17 1 1 A 77 77 LEU H H 77 9.083 9.421 -0.338 1
1 854 . 17 1 1 A 77 77 LEU HA H 77 5.350 5.449 -0.099 1
1 864 . 17 1 1 A 77 77 LEU C C 77 176.622 175.505 1.117 1
1 865 . 17 1 1 A 77 77 LEU CA C 77 53.911 53.467 0.444 1
1 866 . 17 1 1 A 77 77 LEU CB C 77 44.959 42.887 2.072 1
1 870 . 17 1 1 A 77 77 LEU N N 77 127.310 129.033 -1.723 1
1 871 . 17 1 1 A 78 78 VAL H H 78 8.918 8.781 0.137 1
1 872 . 17 1 1 A 78 78 VAL HA H 78 4.890 4.599 0.291 1
1 880 . 17 1 1 A 78 78 VAL C C 78 174.235 175.005 -0.770 1
1 881 . 17 1 1 A 78 78 VAL CA C 78 61.193 61.133 0.060 1
1 882 . 17 1 1 A 78 78 VAL CB C 78 34.718 32.931 1.787 1
1 885 . 17 1 1 A 78 78 VAL N N 78 119.228 126.864 -7.636 1
1 886 . 17 1 1 A 79 79 SER H H 79 8.598 8.825 -0.227 1
1 887 . 17 1 1 A 79 79 SER HA H 79 4.725 5.149 -0.424 1
1 890 . 17 1 1 A 79 79 SER C C 79 172.877 172.444 0.433 1
1 891 . 17 1 1 A 79 79 SER CA C 79 56.680 57.295 -0.615 1
1 892 . 17 1 1 A 79 79 SER CB C 79 65.806 66.334 -0.528 1
1 893 . 17 1 1 A 79 79 SER N N 79 119.664 119.285 0.379 1
1 894 . 17 1 1 A 80 80 ALA H H 80 8.939 8.222 0.717 1
1 895 . 17 1 1 A 80 80 ALA HA H 80 4.325 4.772 -0.447 1
1 899 . 17 1 1 A 80 80 ALA C C 80 174.050 176.706 -2.656 1
1 900 . 17 1 1 A 80 80 ALA CA C 80 51.126 51.230 -0.104 1
1 901 . 17 1 1 A 80 80 ALA CB C 80 21.990 19.961 2.029 1
1 902 . 17 1 1 A 80 80 ALA N N 80 126.283 127.673 -1.390 1
1 903 . 17 1 1 A 81 81 ILE H H 81 8.424 8.307 0.117 1
1 904 . 17 1 1 A 81 81 ILE HA H 81 4.116 4.558 -0.442 1
1 914 . 17 1 1 A 81 81 ILE C C 81 173.862 174.545 -0.683 1
1 915 . 17 1 1 A 81 81 ILE CA C 81 61.175 60.451 0.724 1
1 916 . 17 1 1 A 81 81 ILE CB C 81 36.015 38.362 -2.347 1
1 920 . 17 1 1 A 81 81 ILE N N 81 123.033 122.828 0.205 1
1 921 . 17 1 1 A 82 82 TYR H H 82 8.377 8.676 -0.299 1
1 922 . 17 1 1 A 82 82 TYR HA H 82 4.681 4.918 -0.237 1
1 929 . 17 1 1 A 82 82 TYR C C 82 176.146 176.161 -0.015 1
1 930 . 17 1 1 A 82 82 TYR CA C 82 56.309 56.517 -0.208 1
1 931 . 17 1 1 A 82 82 TYR CB C 82 40.734 42.456 -1.722 1
1 936 . 17 1 1 A 82 82 TYR N N 82 125.168 125.605 -0.437 1
1 937 . 17 1 1 A 83 83 ALA H H 83 9.437 9.124 0.313 1
1 938 . 17 1 1 A 83 83 ALA HA H 83 4.059 4.034 0.025 1
1 942 . 17 1 1 A 83 83 ALA C C 83 179.312 179.817 -0.505 1
1 943 . 17 1 1 A 83 83 ALA CA C 83 55.729 55.542 0.187 1
1 944 . 17 1 1 A 83 83 ALA CB C 83 17.613 18.413 -0.800 1
1 945 . 17 1 1 A 83 83 ALA N N 83 125.234 125.729 -0.495 1
1 946 . 17 1 1 A 84 84 ALA H H 84 7.823 7.860 -0.037 1
1 947 . 17 1 1 A 84 84 ALA HA H 84 4.434 4.172 0.262 1
1 951 . 17 1 1 A 84 84 ALA C C 84 176.808 177.646 -0.838 1
1 952 . 17 1 1 A 84 84 ALA CA C 84 51.936 54.734 -2.798 1
1 953 . 17 1 1 A 84 84 ALA CB C 84 19.514 19.850 -0.336 1
1 954 . 17 1 1 A 84 84 ALA N N 84 114.587 119.465 -4.878 1
1 955 . 17 1 1 A 85 85 GLY H H 85 7.366 7.399 -0.033 1
1 956 . 17 1 1 A 85 85 GLY HA2 H 85 4.362 4.029 0.333 1
1 957 . 17 1 1 A 85 85 GLY HA3 H 85 3.835 4.037 -0.202 1
1 958 . 17 1 1 A 85 85 GLY C C 85 171.544 172.344 -0.800 1
1 959 . 17 1 1 A 85 85 GLY CA C 85 44.576 45.821 -1.245 1
1 960 . 17 1 1 A 85 85 GLY N N 85 105.342 101.996 3.346 1
1 961 . 17 1 1 A 86 86 ARG H H 86 8.626 8.449 0.177 1
1 962 . 17 1 1 A 86 86 ARG HA H 86 5.263 4.845 0.418 1
1 969 . 17 1 1 A 86 86 ARG C C 86 176.925 176.006 0.919 1
1 970 . 17 1 1 A 86 86 ARG CA C 86 54.863 55.848 -0.985 1
1 971 . 17 1 1 A 86 86 ARG CB C 86 33.491 30.726 2.765 1
1 974 . 17 1 1 A 86 86 ARG N N 86 118.147 117.949 0.198 1
1 975 . 17 1 1 A 87 87 SER H H 87 9.496 8.852 0.644 1
1 976 . 17 1 1 A 87 87 SER HA H 87 4.747 4.620 0.127 1
1 979 . 17 1 1 A 87 87 SER C C 87 174.538 174.390 0.148 1
1 980 . 17 1 1 A 87 87 SER CA C 87 58.284 57.985 0.299 1
1 981 . 17 1 1 A 87 87 SER CB C 87 67.271 65.338 1.933 1
1 982 . 17 1 1 A 87 87 SER N N 87 119.835 115.521 4.314 1
1 983 . 17 1 1 A 88 88 GLU H H 88 9.058 8.551 0.507 1
1 984 . 17 1 1 A 88 88 GLU HA H 88 4.342 4.217 0.125 1
1 989 . 17 1 1 A 88 88 GLU C C 88 176.157 175.946 0.211 1
1 990 . 17 1 1 A 88 88 GLU CA C 88 56.874 56.529 0.345 1
1 991 . 17 1 1 A 88 88 GLU CB C 88 30.350 29.986 0.364 1
1 993 . 17 1 1 A 88 88 GLU N N 88 119.700 120.077 -0.377 1
1 994 . 17 1 1 A 89 89 ALA H H 89 8.674 8.606 0.068 1
1 995 . 17 1 1 A 89 89 ALA HA H 89 4.918 5.559 -0.641 1
1 999 . 17 1 1 A 89 89 ALA C C 89 178.887 176.652 2.235 1
1 1000 . 17 1 1 A 89 89 ALA CA C 89 51.340 50.169 1.171 1
1 1001 . 17 1 1 A 89 89 ALA CB C 89 20.130 21.444 -1.314 1
1 1002 . 17 1 1 A 89 89 ALA N N 89 125.485 123.597 1.888 1
1 1003 . 17 1 1 A 90 90 VAL H H 90 8.621 8.881 -0.260 1
1 1004 . 17 1 1 A 90 90 VAL HA H 90 4.562 4.868 -0.306 1
1 1012 . 17 1 1 A 90 90 VAL C C 90 174.251 175.419 -1.168 1
1 1013 . 17 1 1 A 90 90 VAL CA C 90 60.365 60.439 -0.074 1
1 1014 . 17 1 1 A 90 90 VAL CB C 90 33.770 33.673 0.097 1
1 1017 . 17 1 1 A 90 90 VAL N N 90 119.440 118.303 1.137 1
1 1018 . 17 1 1 A 91 91 SER H H 91 8.373 8.919 -0.546 1
1 1019 . 17 1 1 A 91 91 SER HA H 91 5.877 5.140 0.737 1
1 1022 . 17 1 1 A 91 91 SER C C 91 174.245 173.613 0.632 1
1 1023 . 17 1 1 A 91 91 SER CA C 91 56.109 57.505 -1.396 1
1 1024 . 17 1 1 A 91 91 SER CB C 91 67.620 64.838 2.782 1
1 1025 . 17 1 1 A 91 91 SER N N 91 116.084 121.713 -5.629 1
1 1026 . 17 1 1 A 92 92 ALA H H 92 8.900 8.807 0.093 1
1 1027 . 17 1 1 A 92 92 ALA HA H 92 4.681 4.892 -0.211 1
1 1031 . 17 1 1 A 92 92 ALA C C 92 175.187 176.047 -0.860 1
1 1032 . 17 1 1 A 92 92 ALA CA C 92 51.990 51.991 -0.001 1
1 1033 . 17 1 1 A 92 92 ALA CB C 92 23.056 22.076 0.980 1
1 1034 . 17 1 1 A 92 92 ALA N N 92 123.885 122.115 1.770 1
1 1035 . 17 1 1 A 93 93 THR H H 93 8.466 8.764 -0.298 1
1 1036 . 17 1 1 A 93 93 THR HA H 93 5.623 5.117 0.506 1
1 1041 . 17 1 1 A 93 93 THR C C 93 174.366 174.191 0.175 1
1 1042 . 17 1 1 A 93 93 THR CA C 93 60.154 60.840 -0.686 1
1 1043 . 17 1 1 A 93 93 THR CB C 93 71.657 70.173 1.484 1
1 1045 . 17 1 1 A 93 93 THR N N 93 112.591 115.322 -2.731 1
1 1046 . 17 1 1 A 94 94 GLY H H 94 8.657 8.945 -0.288 1
1 1047 . 17 1 1 A 94 94 GLY HA2 H 94 4.483 4.227 0.256 1
1 1048 . 17 1 1 A 94 94 GLY HA3 H 94 3.625 4.233 -0.608 1
1 1049 . 17 1 1 A 94 94 GLY C C 94 170.518 173.672 -3.154 1
1 1050 . 17 1 1 A 94 94 GLY CA C 94 44.849 45.244 -0.395 1
1 1051 . 17 1 1 A 94 94 GLY N N 94 111.375 111.483 -0.108 1
1 1052 . 17 1 1 A 95 95 GLN H H 95 8.667 8.761 -0.094 1
1 1053 . 17 1 1 A 95 95 GLN HA H 95 5.491 4.351 1.140 1
1 1060 . 17 1 1 A 95 95 GLN C C 95 176.226 175.334 0.892 1
1 1061 . 17 1 1 A 95 95 GLN CA C 95 54.000 56.555 -2.555 1
1 1062 . 17 1 1 A 95 95 GLN CB C 95 32.822 29.244 3.578 1
1 1064 . 17 1 1 A 95 95 GLN N N 95 120.893 126.359 -5.466 1
1 1066 . 17 1 1 A 96 96 THR H H 96 8.609 8.674 -0.065 1
1 1067 . 17 1 1 A 96 96 THR HA H 96 4.384 4.488 -0.104 1
1 1072 . 17 1 1 A 96 96 THR C C 96 175.194 174.334 0.860 1
1 1073 . 17 1 1 A 96 96 THR CA C 96 60.783 61.466 -0.683 1
1 1074 . 17 1 1 A 96 96 THR CB C 96 70.198 71.260 -1.062 1
1 1076 . 17 1 1 A 96 96 THR N N 96 115.777 115.941 -0.164 1
1 1077 . 17 1 1 A 97 97 ALA H H 97 8.009 8.248 -0.239 1
1 1078 . 17 1 1 A 97 97 ALA HA H 97 4.186 4.472 -0.286 1
1 1082 . 17 1 1 A 97 97 ALA C C 97 176.174 177.153 -0.979 1
1 1083 . 17 1 1 A 97 97 ALA CA C 97 52.077 51.432 0.645 1
1 1084 . 17 1 1 A 97 97 ALA CB C 97 19.001 20.006 -1.005 1
1 1085 . 17 1 1 A 97 97 ALA N N 97 120.015 122.855 -2.840 1
1 1086 . 17 1 1 A 98 98 CYS H H 98 8.239 8.737 -0.498 1
1 1087 . 17 1 1 A 98 98 CYS HA H 98 4.705 5.003 -0.298 1
1 1090 . 17 1 1 A 98 98 CYS C C 98 173.203 175.151 -1.948 1
1 1091 . 17 1 1 A 98 98 CYS CA C 98 56.644 57.225 -0.581 1
1 1092 . 17 1 1 A 98 98 CYS CB C 98 27.357 29.071 -1.714 1
1 1093 . 17 1 1 A 98 98 CYS N N 98 116.874 117.620 -0.746 1
1 1094 . 17 1 1 A 99 99 PRO HA H 99 4.421 4.424 -0.003 1
1 1101 . 17 1 1 A 99 99 PRO CA C 99 63.337 64.571 -1.234 1
1 1102 . 17 1 1 A 99 99 PRO CB C 99 32.132 32.066 0.066 1
1 1105 . 17 1 1 A 100 100 SER H H 100 8.463 8.012 0.451 1
1 1106 . 17 1 1 A 100 100 SER HA H 100 4.470 4.190 0.280 1
1 1109 . 17 1 1 A 100 100 SER CA C 100 58.453 60.899 -2.446 1
1 1110 . 17 1 1 A 100 100 SER CB C 100 64.023 63.483 0.540 1
1 1111 . 17 1 1 A 100 100 SER N N 100 116.426 112.156 4.270 1
1 1112 . 17 1 1 A 101 101 GLY H H 101 8.237 7.813 0.424 1
1 1113 . 17 1 1 A 101 101 GLY HA2 H 101 4.165 4.067 0.098 1
1 1114 . 17 1 1 A 101 101 GLY HA3 H 101 4.100 4.067 0.033 1
1 1115 . 17 1 1 A 101 101 GLY CA C 101 44.647 44.823 -0.176 1
1 1116 . 17 1 1 A 101 101 GLY N N 101 110.731 107.645 3.086 1
1 1117 . 17 1 1 A 102 102 PRO HA H 102 4.484 4.713 -0.229 1
1 1123 . 17 1 1 A 102 102 PRO CA C 102 63.069 62.730 0.339 1
1 1124 . 17 1 1 A 102 102 PRO CB C 102 32.189 32.161 0.028 1
1 1127 . 17 1 1 A 103 103 SER H H 103 8.540 8.356 0.184 1
1 1 . 18 1 1 A 5 5 SER N N 5 119.122 117.607 1.515 1
1 2 . 18 1 1 A 6 6 SER N N 6 123.945 124.295 -0.350 1
1 3 . 18 1 1 A 7 7 GLY HA2 H 7 3.813 3.909 -0.096 1
1 4 . 18 1 1 A 7 7 GLY HA3 H 7 3.813 3.929 -0.116 1
1 5 . 18 1 1 A 7 7 GLY CA C 7 45.375 44.970 0.405 1
1 6 . 18 1 1 A 8 8 ARG H H 8 7.999 7.739 0.260 1
1 7 . 18 1 1 A 8 8 ARG HA H 8 3.712 3.872 -0.160 1
1 14 . 18 1 1 A 8 8 ARG CA C 8 54.185 54.476 -0.291 1
1 15 . 18 1 1 A 8 8 ARG CB C 8 29.555 31.271 -1.716 1
1 18 . 18 1 1 A 8 8 ARG N N 8 121.209 120.474 0.735 1
1 19 . 18 1 1 A 9 9 SER H H 9 7.810 8.855 -1.045 1
1 20 . 18 1 1 A 9 9 SER HA H 9 4.725 4.966 -0.241 1
1 23 . 18 1 1 A 9 9 SER CA C 9 58.455 54.812 3.643 1
1 24 . 18 1 1 A 9 9 SER CB C 9 62.966 64.477 -1.511 1
1 25 . 18 1 1 A 9 9 SER N N 9 118.072 120.322 -2.250 1
1 26 . 18 1 1 A 10 10 PRO HA H 10 5.182 4.921 0.261 1
1 33 . 18 1 1 A 10 10 PRO CA C 10 61.759 61.266 0.493 1
1 34 . 18 1 1 A 10 10 PRO CB C 10 30.280 31.549 -1.269 1
1 37 . 18 1 1 A 11 11 PRO HA H 11 4.567 4.657 -0.090 1
1 44 . 18 1 1 A 11 11 PRO C C 11 173.556 176.013 -2.457 1
1 45 . 18 1 1 A 11 11 PRO CA C 11 62.674 62.628 0.046 1
1 46 . 18 1 1 A 11 11 PRO CB C 11 33.026 31.512 1.514 1
1 49 . 18 1 1 A 12 12 SER H H 12 8.427 8.636 -0.209 1
1 50 . 18 1 1 A 12 12 SER HA H 12 4.890 4.976 -0.086 1
1 53 . 18 1 1 A 12 12 SER C C 12 173.115 173.783 -0.668 1
1 54 . 18 1 1 A 12 12 SER CA C 12 56.556 57.176 -0.620 1
1 55 . 18 1 1 A 12 12 SER CB C 12 66.882 66.076 0.806 1
1 56 . 18 1 1 A 12 12 SER N N 12 111.345 118.125 -6.780 1
1 57 . 18 1 1 A 13 13 ASN H H 13 8.973 8.794 0.179 1
1 58 . 18 1 1 A 13 13 ASN HA H 13 4.318 4.257 0.061 1
1 63 . 18 1 1 A 13 13 ASN C C 13 173.850 174.686 -0.836 1
1 64 . 18 1 1 A 13 13 ASN CA C 13 53.928 54.130 -0.202 1
1 65 . 18 1 1 A 13 13 ASN CB C 13 37.365 36.944 0.421 1
1 66 . 18 1 1 A 13 13 ASN N N 13 115.970 116.839 -0.869 1
1 68 . 18 1 1 A 14 14 LEU H H 14 8.223 8.179 0.044 1
1 69 . 18 1 1 A 14 14 LEU HA H 14 4.857 4.394 0.463 1
1 79 . 18 1 1 A 14 14 LEU C C 14 176.725 177.204 -0.479 1
1 80 . 18 1 1 A 14 14 LEU CA C 14 56.115 56.150 -0.035 1
1 81 . 18 1 1 A 14 14 LEU CB C 14 42.621 41.961 0.660 1
1 85 . 18 1 1 A 14 14 LEU N N 14 119.681 119.795 -0.114 1
1 86 . 18 1 1 A 15 15 ALA H H 15 9.364 8.427 0.937 1
1 87 . 18 1 1 A 15 15 ALA HA H 15 4.736 5.176 -0.440 1
1 91 . 18 1 1 A 15 15 ALA C C 15 175.056 175.437 -0.381 1
1 92 . 18 1 1 A 15 15 ALA CA C 15 51.496 50.834 0.662 1
1 93 . 18 1 1 A 15 15 ALA CB C 15 22.285 21.967 0.318 1
1 94 . 18 1 1 A 15 15 ALA N N 15 130.359 126.095 4.264 1
1 95 . 18 1 1 A 16 16 LEU H H 16 8.448 9.202 -0.754 1
1 96 . 18 1 1 A 16 16 LEU HA H 16 5.385 5.245 0.140 1
1 106 . 18 1 1 A 16 16 LEU C C 16 175.868 175.701 0.167 1
1 107 . 18 1 1 A 16 16 LEU CA C 16 53.224 53.590 -0.366 1
1 108 . 18 1 1 A 16 16 LEU CB C 16 45.061 42.747 2.314 1
1 112 . 18 1 1 A 16 16 LEU N N 16 120.470 123.774 -3.304 1
1 113 . 18 1 1 A 17 17 ALA H H 17 8.737 9.490 -0.753 1
1 114 . 18 1 1 A 17 17 ALA HA H 17 4.620 5.284 -0.664 1
1 118 . 18 1 1 A 17 17 ALA C C 17 175.371 175.170 0.201 1
1 119 . 18 1 1 A 17 17 ALA CA C 17 51.249 50.201 1.048 1
1 120 . 18 1 1 A 17 17 ALA CB C 17 22.570 21.299 1.271 1
1 121 . 18 1 1 A 17 17 ALA N N 17 124.938 128.457 -3.519 1
1 122 . 18 1 1 A 18 18 SER H H 18 8.675 8.850 -0.175 1
1 123 . 18 1 1 A 18 18 SER HA H 18 5.021 4.650 0.371 1
1 126 . 18 1 1 A 18 18 SER C C 18 174.678 175.233 -0.555 1
1 127 . 18 1 1 A 18 18 SER CA C 18 57.244 56.710 0.534 1
1 128 . 18 1 1 A 18 18 SER CB C 18 64.200 64.370 -0.170 1
1 129 . 18 1 1 A 18 18 SER N N 18 113.933 118.940 -5.007 1
1 130 . 18 1 1 A 19 19 GLU H H 19 9.743 8.819 0.924 1
1 131 . 18 1 1 A 19 19 GLU HA H 19 4.466 4.591 -0.125 1
1 136 . 18 1 1 A 19 19 GLU C C 19 176.368 176.342 0.026 1
1 137 . 18 1 1 A 19 19 GLU CA C 19 56.295 56.275 0.020 1
1 138 . 18 1 1 A 19 19 GLU CB C 19 31.532 31.601 -0.069 1
1 140 . 18 1 1 A 19 19 GLU N N 19 127.234 123.490 3.744 1
1 141 . 18 1 1 A 20 20 THR H H 20 7.759 7.119 0.640 1
1 142 . 18 1 1 A 20 20 THR HA H 20 4.935 4.640 0.295 1
1 147 . 18 1 1 A 20 20 THR C C 20 171.770 173.808 -2.038 1
1 148 . 18 1 1 A 20 20 THR CA C 20 58.337 58.321 0.016 1
1 149 . 18 1 1 A 20 20 THR CB C 20 69.869 71.767 -1.898 1
1 151 . 18 1 1 A 20 20 THR N N 20 109.600 113.909 -4.309 1
1 152 . 18 1 1 A 21 21 PRO HA H 21 4.587 4.478 0.109 1
1 159 . 18 1 1 A 21 21 PRO C C 21 173.647 176.771 -3.124 1
1 160 . 18 1 1 A 21 21 PRO CA C 21 64.332 64.103 0.229 1
1 161 . 18 1 1 A 21 21 PRO CB C 21 32.380 31.588 0.792 1
1 164 . 18 1 1 A 22 22 ASP H H 22 7.420 8.153 -0.733 1
1 165 . 18 1 1 A 22 22 ASP HA H 22 4.648 4.995 -0.347 1
1 168 . 18 1 1 A 22 22 ASP C C 22 175.838 175.844 -0.006 1
1 169 . 18 1 1 A 22 22 ASP CA C 22 51.037 54.762 -3.725 1
1 170 . 18 1 1 A 22 22 ASP CB C 22 42.177 43.173 -0.996 1
1 171 . 18 1 1 A 22 22 ASP N N 22 107.201 117.632 -10.431 1
1 172 . 18 1 1 A 23 23 SER H H 23 7.729 7.601 0.128 1
1 173 . 18 1 1 A 23 23 SER HA H 23 5.474 5.239 0.235 1
1 176 . 18 1 1 A 23 23 SER C C 23 171.887 172.543 -0.656 1
1 177 . 18 1 1 A 23 23 SER CA C 23 57.481 57.347 0.134 1
1 178 . 18 1 1 A 23 23 SER CB C 23 68.168 65.893 2.275 1
1 179 . 18 1 1 A 23 23 SER N N 23 112.046 110.969 1.077 1
1 180 . 18 1 1 A 24 24 LEU H H 24 7.884 8.201 -0.317 1
1 181 . 18 1 1 A 24 24 LEU HA H 24 4.769 4.884 -0.115 1
1 191 . 18 1 1 A 24 24 LEU C C 24 174.542 173.778 0.764 1
1 192 . 18 1 1 A 24 24 LEU CA C 24 53.576 53.827 -0.251 1
1 193 . 18 1 1 A 24 24 LEU CB C 24 47.616 45.932 1.684 1
1 197 . 18 1 1 A 24 24 LEU N N 24 119.324 123.411 -4.087 1
1 198 . 18 1 1 A 25 25 GLN H H 25 9.356 9.190 0.166 1
1 199 . 18 1 1 A 25 25 GLN HA H 25 4.747 4.745 0.002 1
1 206 . 18 1 1 A 25 25 GLN C C 25 174.824 174.915 -0.091 1
1 207 . 18 1 1 A 25 25 GLN CA C 25 55.533 55.283 0.250 1
1 208 . 18 1 1 A 25 25 GLN CB C 25 29.759 29.946 -0.187 1
1 210 . 18 1 1 A 25 25 GLN N N 25 124.019 126.885 -2.866 1
1 212 . 18 1 1 A 26 26 VAL H H 26 9.020 8.547 0.473 1
1 213 . 18 1 1 A 26 26 VAL HA H 26 4.824 4.951 -0.127 1
1 221 . 18 1 1 A 26 26 VAL C C 26 174.556 174.087 0.469 1
1 222 . 18 1 1 A 26 26 VAL CA C 26 60.629 59.953 0.676 1
1 223 . 18 1 1 A 26 26 VAL CB C 26 33.355 35.542 -2.187 1
1 226 . 18 1 1 A 26 26 VAL N N 26 127.649 124.071 3.578 1
1 227 . 18 1 1 A 27 27 SER H H 27 9.056 8.859 0.197 1
1 228 . 18 1 1 A 27 27 SER HA H 27 4.857 5.076 -0.219 1
1 231 . 18 1 1 A 27 27 SER C C 27 172.328 173.022 -0.694 1
1 232 . 18 1 1 A 27 27 SER CA C 27 57.138 56.385 0.753 1
1 233 . 18 1 1 A 27 27 SER CB C 27 66.864 66.956 -0.092 1
1 234 . 18 1 1 A 27 27 SER N N 27 119.826 121.563 -1.737 1
1 235 . 18 1 1 A 28 28 TRP H H 28 7.584 8.003 -0.419 1
1 236 . 18 1 1 A 28 28 TRP HA H 28 5.022 5.295 -0.273 1
1 245 . 18 1 1 A 28 28 TRP C C 28 174.055 172.960 1.095 1
1 246 . 18 1 1 A 28 28 TRP CA C 28 56.609 55.666 0.943 1
1 247 . 18 1 1 A 28 28 TRP CB C 28 29.814 30.890 -1.076 1
1 253 . 18 1 1 A 28 28 TRP N N 28 115.280 118.103 -2.823 1
1 255 . 18 1 1 A 29 29 THR H H 29 9.293 8.808 0.485 1
1 256 . 18 1 1 A 29 29 THR HA H 29 4.865 4.803 0.062 1
1 261 . 18 1 1 A 29 29 THR C C 29 173.203 173.651 -0.448 1
1 262 . 18 1 1 A 29 29 THR CA C 29 59.889 59.801 0.088 1
1 263 . 18 1 1 A 29 29 THR CB C 29 69.774 69.656 0.118 1
1 265 . 18 1 1 A 29 29 THR N N 29 117.164 116.692 0.472 1
1 266 . 18 1 1 A 30 30 PRO HA H 30 4.809 4.809 0.000 1
1 273 . 18 1 1 A 30 30 PRO CA C 30 61.701 61.876 -0.175 1
1 274 . 18 1 1 A 30 30 PRO CB C 30 32.114 32.357 -0.243 1
1 277 . 18 1 1 A 31 31 PRO HA H 31 4.703 4.747 -0.044 1
1 284 . 18 1 1 A 31 31 PRO C C 31 175.384 176.604 -1.220 1
1 285 . 18 1 1 A 31 31 PRO CA C 31 61.793 62.378 -0.585 1
1 286 . 18 1 1 A 31 31 PRO CB C 31 32.822 33.462 -0.640 1
1 289 . 18 1 1 A 32 32 LEU H H 32 8.312 8.674 -0.362 1
1 290 . 18 1 1 A 32 32 LEU HA H 32 4.333 4.460 -0.127 1
1 300 . 18 1 1 A 32 32 LEU C C 32 177.793 178.308 -0.515 1
1 301 . 18 1 1 A 32 32 LEU CA C 32 55.851 57.192 -1.341 1
1 302 . 18 1 1 A 32 32 LEU CB C 32 41.968 43.111 -1.143 1
1 306 . 18 1 1 A 32 32 LEU N N 32 119.044 120.383 -1.339 1
1 307 . 18 1 1 A 33 33 GLY H H 33 8.147 7.833 0.314 1
1 308 . 18 1 1 A 33 33 GLY HA2 H 33 4.210 4.060 0.150 1
1 309 . 18 1 1 A 33 33 GLY HA3 H 33 4.051 4.087 -0.036 1
1 310 . 18 1 1 A 33 33 GLY C C 33 172.971 173.048 -0.077 1
1 311 . 18 1 1 A 33 33 GLY CA C 33 44.216 45.521 -1.305 1
1 312 . 18 1 1 A 33 33 GLY N N 33 107.917 107.463 0.454 1
1 313 . 18 1 1 A 34 34 ARG H H 34 8.671 8.548 0.123 1
1 314 . 18 1 1 A 34 34 ARG HA H 34 4.405 4.614 -0.209 1
1 321 . 18 1 1 A 34 34 ARG C C 34 174.517 175.490 -0.973 1
1 322 . 18 1 1 A 34 34 ARG CA C 34 55.339 56.415 -1.076 1
1 323 . 18 1 1 A 34 34 ARG CB C 34 29.137 30.747 -1.610 1
1 326 . 18 1 1 A 34 34 ARG N N 34 121.152 123.051 -1.899 1
1 327 . 18 1 1 A 35 35 VAL H H 35 7.825 8.676 -0.851 1
1 328 . 18 1 1 A 35 35 VAL HA H 35 3.060 4.264 -1.204 1
1 336 . 18 1 1 A 35 35 VAL C C 35 176.613 174.957 1.656 1
1 337 . 18 1 1 A 35 35 VAL CA C 35 62.505 60.179 2.326 1
1 338 . 18 1 1 A 35 35 VAL CB C 35 32.534 33.273 -0.739 1
1 341 . 18 1 1 A 35 35 VAL N N 35 126.379 127.689 -1.310 1
1 342 . 18 1 1 A 36 36 LEU H H 36 8.874 9.046 -0.172 1
1 343 . 18 1 1 A 36 36 LEU HA H 36 4.176 4.240 -0.064 1
1 353 . 18 1 1 A 36 36 LEU C C 36 177.540 176.987 0.553 1
1 354 . 18 1 1 A 36 36 LEU CA C 36 57.050 56.590 0.460 1
1 355 . 18 1 1 A 36 36 LEU CB C 36 41.723 42.683 -0.960 1
1 359 . 18 1 1 A 36 36 LEU N N 36 127.956 130.213 -2.257 1
1 360 . 18 1 1 A 37 37 HIS H H 37 7.231 7.360 -0.129 1
1 361 . 18 1 1 A 37 37 HIS HA H 37 4.615 4.906 -0.291 1
1 366 . 18 1 1 A 37 37 HIS C C 37 171.558 171.649 -0.091 1
1 367 . 18 1 1 A 37 37 HIS CA C 37 55.005 54.092 0.913 1
1 368 . 18 1 1 A 37 37 HIS CB C 37 32.039 32.431 -0.392 1
1 371 . 18 1 1 A 37 37 HIS N N 37 112.948 112.921 0.027 1
1 372 . 18 1 1 A 38 38 TYR H H 38 9.836 8.987 0.849 1
1 373 . 18 1 1 A 38 38 TYR HA H 38 5.165 4.982 0.183 1
1 378 . 18 1 1 A 38 38 TYR C C 38 174.934 174.813 0.121 1
1 379 . 18 1 1 A 38 38 TYR CA C 38 56.698 56.494 0.204 1
1 380 . 18 1 1 A 38 38 TYR CB C 38 40.251 39.310 0.941 1
1 385 . 18 1 1 A 38 38 TYR N N 38 116.581 116.853 -0.272 1
1 386 . 18 1 1 A 39 39 TRP H H 39 8.984 8.694 0.290 1
1 387 . 18 1 1 A 39 39 TRP HA H 39 5.307 4.924 0.383 1
1 396 . 18 1 1 A 39 39 TRP C C 39 173.996 175.191 -1.195 1
1 397 . 18 1 1 A 39 39 TRP CA C 39 55.798 56.514 -0.716 1
1 398 . 18 1 1 A 39 39 TRP CB C 39 31.998 29.055 2.943 1
1 404 . 18 1 1 A 39 39 TRP N N 39 124.201 128.468 -4.267 1
1 406 . 18 1 1 A 40 40 LEU H H 40 8.695 8.519 0.176 1
1 407 . 18 1 1 A 40 40 LEU HA H 40 5.636 4.694 0.942 1
1 417 . 18 1 1 A 40 40 LEU C C 40 175.416 175.329 0.087 1
1 418 . 18 1 1 A 40 40 LEU CA C 40 54.030 54.068 -0.038 1
1 419 . 18 1 1 A 40 40 LEU CB C 40 44.846 44.062 0.784 1
1 423 . 18 1 1 A 40 40 LEU N N 40 132.690 129.691 2.999 1
1 424 . 18 1 1 A 41 41 THR H H 41 9.103 9.129 -0.026 1
1 425 . 18 1 1 A 41 41 THR HA H 41 5.341 4.928 0.413 1
1 430 . 18 1 1 A 41 41 THR C C 41 173.042 173.076 -0.034 1
1 431 . 18 1 1 A 41 41 THR CA C 41 60.118 60.438 -0.320 1
1 432 . 18 1 1 A 41 41 THR CB C 41 71.493 70.805 0.688 1
1 434 . 18 1 1 A 41 41 THR N N 41 117.923 116.006 1.917 1
1 435 . 18 1 1 A 42 42 TYR H H 42 9.073 8.832 0.241 1
1 436 . 18 1 1 A 42 42 TYR HA H 42 5.915 5.953 -0.038 1
1 443 . 18 1 1 A 42 42 TYR C C 42 173.637 174.079 -0.442 1
1 444 . 18 1 1 A 42 42 TYR CA C 42 55.146 55.163 -0.017 1
1 445 . 18 1 1 A 42 42 TYR CB C 42 42.124 42.055 0.069 1
1 450 . 18 1 1 A 42 42 TYR N N 42 118.958 121.489 -2.531 1
1 451 . 18 1 1 A 43 43 ALA H H 43 8.508 8.536 -0.028 1
1 452 . 18 1 1 A 43 43 ALA HA H 43 5.099 4.823 0.276 1
1 456 . 18 1 1 A 43 43 ALA C C 43 173.859 174.211 -0.352 1
1 457 . 18 1 1 A 43 43 ALA CA C 43 50.156 50.535 -0.379 1
1 458 . 18 1 1 A 43 43 ALA CB C 43 21.455 22.279 -0.824 1
1 459 . 18 1 1 A 43 43 ALA N N 43 122.386 121.224 1.162 1
1 460 . 18 1 1 A 44 44 PRO HA H 44 4.079 4.488 -0.409 1
1 467 . 18 1 1 A 44 44 PRO C C 44 178.191 177.538 0.653 1
1 468 . 18 1 1 A 44 44 PRO CA C 44 63.194 62.530 0.664 1
1 469 . 18 1 1 A 44 44 PRO CB C 44 31.525 31.216 0.309 1
1 472 . 18 1 1 A 45 45 ALA H H 45 8.934 8.593 0.341 1
1 473 . 18 1 1 A 45 45 ALA HA H 45 3.965 3.991 -0.026 1
1 477 . 18 1 1 A 45 45 ALA C C 45 177.272 179.481 -2.209 1
1 478 . 18 1 1 A 45 45 ALA CA C 45 53.911 55.285 -1.374 1
1 479 . 18 1 1 A 45 45 ALA CB C 45 18.221 18.418 -0.197 1
1 480 . 18 1 1 A 45 45 ALA N N 45 129.632 128.262 1.370 1
1 481 . 18 1 1 A 46 46 SER H H 46 8.311 7.901 0.410 1
1 482 . 18 1 1 A 46 46 SER HA H 46 4.193 4.040 0.153 1
1 485 . 18 1 1 A 46 46 SER C C 46 175.546 175.021 0.525 1
1 486 . 18 1 1 A 46 46 SER CA C 46 58.584 61.787 -3.203 1
1 487 . 18 1 1 A 46 46 SER CB C 46 63.543 63.660 -0.117 1
1 488 . 18 1 1 A 46 46 SER N N 46 111.878 113.444 -1.566 1
1 489 . 18 1 1 A 47 47 GLY H H 47 7.743 7.915 -0.172 1
1 490 . 18 1 1 A 47 47 GLY HA2 H 47 4.203 3.996 0.207 1
1 491 . 18 1 1 A 47 47 GLY HA3 H 47 3.840 3.998 -0.158 1
1 492 . 18 1 1 A 47 47 GLY C C 47 174.463 175.117 -0.654 1
1 493 . 18 1 1 A 47 47 GLY CA C 47 45.501 46.320 -0.819 1
1 494 . 18 1 1 A 47 47 GLY N N 47 108.526 107.601 0.925 1
1 495 . 18 1 1 A 48 48 LEU H H 48 7.794 7.848 -0.054 1
1 496 . 18 1 1 A 48 48 LEU HA H 48 4.448 4.713 -0.265 1
1 506 . 18 1 1 A 48 48 LEU C C 48 176.668 175.980 0.688 1
1 507 . 18 1 1 A 48 48 LEU CA C 48 54.470 53.780 0.690 1
1 508 . 18 1 1 A 48 48 LEU CB C 48 41.445 43.008 -1.563 1
1 512 . 18 1 1 A 48 48 LEU N N 48 120.348 117.576 2.772 1
1 513 . 18 1 1 A 49 49 GLY H H 49 7.889 7.500 0.389 1
1 514 . 18 1 1 A 49 49 GLY HA2 H 49 4.266 4.084 0.182 1
1 515 . 18 1 1 A 49 49 GLY HA3 H 49 3.965 4.084 -0.119 1
1 516 . 18 1 1 A 49 49 GLY C C 49 170.653 171.097 -0.444 1
1 517 . 18 1 1 A 49 49 GLY CA C 49 44.151 45.261 -1.110 1
1 518 . 18 1 1 A 49 49 GLY N N 49 108.892 108.242 0.650 1
1 519 . 18 1 1 A 50 50 PRO HA H 50 4.483 4.613 -0.130 1
1 526 . 18 1 1 A 50 50 PRO C C 50 176.143 176.031 0.112 1
1 527 . 18 1 1 A 50 50 PRO CA C 50 62.639 62.584 0.055 1
1 528 . 18 1 1 A 50 50 PRO CB C 50 32.575 33.131 -0.556 1
1 531 . 18 1 1 A 51 51 GLU H H 51 8.463 8.470 -0.007 1
1 532 . 18 1 1 A 51 51 GLU HA H 51 4.560 4.943 -0.383 1
1 537 . 18 1 1 A 51 51 GLU C C 51 175.792 174.825 0.967 1
1 538 . 18 1 1 A 51 51 GLU CA C 51 55.516 54.535 0.981 1
1 539 . 18 1 1 A 51 51 GLU CB C 51 31.305 33.318 -2.013 1
1 541 . 18 1 1 A 51 51 GLU N N 51 121.175 117.670 3.505 1
1 542 . 18 1 1 A 52 52 LYS H H 52 8.180 7.911 0.269 1
1 543 . 18 1 1 A 52 52 LYS HA H 52 4.511 4.761 -0.250 1
1 552 . 18 1 1 A 52 52 LYS C C 52 174.000 175.291 -1.291 1
1 553 . 18 1 1 A 52 52 LYS CA C 52 54.952 54.273 0.679 1
1 554 . 18 1 1 A 52 52 LYS CB C 52 36.101 34.928 1.173 1
1 558 . 18 1 1 A 52 52 LYS N N 52 125.598 121.900 3.698 1
1 559 . 18 1 1 A 53 53 SER H H 53 8.087 8.473 -0.386 1
1 560 . 18 1 1 A 53 53 SER HA H 53 5.637 4.890 0.747 1
1 563 . 18 1 1 A 53 53 SER C C 53 173.704 173.058 0.646 1
1 564 . 18 1 1 A 53 53 SER CA C 53 56.662 57.496 -0.834 1
1 565 . 18 1 1 A 53 53 SER CB C 53 67.219 65.530 1.689 1
1 566 . 18 1 1 A 53 53 SER N N 53 112.778 115.571 -2.793 1
1 567 . 18 1 1 A 54 54 VAL H H 54 8.940 8.525 0.415 1
1 568 . 18 1 1 A 54 54 VAL HA H 54 4.314 4.849 -0.535 1
1 576 . 18 1 1 A 54 54 VAL C C 54 172.304 174.336 -2.032 1
1 577 . 18 1 1 A 54 54 VAL CA C 54 60.506 59.338 1.168 1
1 578 . 18 1 1 A 54 54 VAL CB C 54 36.121 34.272 1.849 1
1 581 . 18 1 1 A 54 54 VAL N N 54 119.961 120.967 -1.006 1
1 582 . 18 1 1 A 55 55 SER H H 55 8.180 8.685 -0.505 1
1 583 . 18 1 1 A 55 55 SER HA H 55 5.461 5.069 0.392 1
1 586 . 18 1 1 A 55 55 SER C C 55 174.870 174.146 0.724 1
1 587 . 18 1 1 A 55 55 SER CA C 55 56.065 58.192 -2.127 1
1 588 . 18 1 1 A 55 55 SER CB C 55 64.094 64.329 -0.235 1
1 589 . 18 1 1 A 55 55 SER N N 55 117.963 118.704 -0.741 1
1 590 . 18 1 1 A 56 56 VAL H H 56 9.201 8.614 0.587 1
1 591 . 18 1 1 A 56 56 VAL HA H 56 4.780 4.698 0.082 1
1 599 . 18 1 1 A 56 56 VAL C C 56 173.446 175.914 -2.468 1
1 600 . 18 1 1 A 56 56 VAL CA C 56 58.760 58.878 -0.118 1
1 601 . 18 1 1 A 56 56 VAL CB C 56 35.954 35.833 0.121 1
1 604 . 18 1 1 A 56 56 VAL N N 56 127.863 125.553 2.310 1
1 605 . 18 1 1 A 57 57 PRO HA H 57 4.582 4.435 0.147 1
1 612 . 18 1 1 A 57 57 PRO C C 57 176.776 178.290 -1.514 1
1 613 . 18 1 1 A 57 57 PRO CA C 57 64.226 63.510 0.716 1
1 614 . 18 1 1 A 57 57 PRO CB C 57 33.063 32.171 0.892 1
1 617 . 18 1 1 A 58 58 GLY H H 58 7.663 8.135 -0.472 1
1 618 . 18 1 1 A 58 58 GLY HA2 H 58 3.684 3.645 0.039 1
1 619 . 18 1 1 A 58 58 GLY HA3 H 58 3.620 3.809 -0.189 1
1 620 . 18 1 1 A 58 58 GLY C C 58 173.755 175.630 -1.875 1
1 621 . 18 1 1 A 58 58 GLY CA C 58 46.877 45.603 1.274 1
1 622 . 18 1 1 A 58 58 GLY N N 58 106.964 109.961 -2.997 1
1 623 . 18 1 1 A 59 59 ALA H H 59 7.900 8.535 -0.635 1
1 624 . 18 1 1 A 59 59 ALA HA H 59 4.516 4.056 0.460 1
1 628 . 18 1 1 A 59 59 ALA C C 59 178.104 177.733 0.371 1
1 629 . 18 1 1 A 59 59 ALA CA C 59 52.713 54.909 -2.196 1
1 630 . 18 1 1 A 59 59 ALA CB C 59 19.380 18.840 0.540 1
1 631 . 18 1 1 A 59 59 ALA N N 59 119.932 123.088 -3.156 1
1 632 . 18 1 1 A 60 60 ARG H H 60 8.306 7.749 0.557 1
1 633 . 18 1 1 A 60 60 ARG HA H 60 4.559 4.475 0.084 1
1 640 . 18 1 1 A 60 60 ARG C C 60 174.842 175.257 -0.415 1
1 641 . 18 1 1 A 60 60 ARG CA C 60 55.357 55.397 -0.040 1
1 642 . 18 1 1 A 60 60 ARG CB C 60 32.823 31.253 1.570 1
1 645 . 18 1 1 A 60 60 ARG N N 60 118.739 116.323 2.416 1
1 646 . 18 1 1 A 61 61 SER H H 61 8.229 8.511 -0.282 1
1 647 . 18 1 1 A 61 61 SER HA H 61 3.709 4.343 -0.634 1
1 650 . 18 1 1 A 61 61 SER C C 61 170.973 172.825 -1.852 1
1 651 . 18 1 1 A 61 61 SER CA C 61 56.045 57.310 -1.265 1
1 652 . 18 1 1 A 61 61 SER CB C 61 63.329 63.057 0.272 1
1 653 . 18 1 1 A 61 61 SER N N 61 110.956 117.151 -6.195 1
1 654 . 18 1 1 A 62 62 HIS H H 62 6.458 6.978 -0.520 1
1 655 . 18 1 1 A 62 62 HIS HA H 62 4.626 4.517 0.109 1
1 660 . 18 1 1 A 62 62 HIS C C 62 173.581 173.256 0.325 1
1 661 . 18 1 1 A 62 62 HIS CA C 62 54.494 53.632 0.862 1
1 662 . 18 1 1 A 62 62 HIS CB C 62 32.485 32.176 0.309 1
1 665 . 18 1 1 A 62 62 HIS N N 62 113.571 116.706 -3.135 1
1 666 . 18 1 1 A 63 63 VAL H H 63 8.794 8.337 0.457 1
1 667 . 18 1 1 A 63 63 VAL HA H 63 4.325 4.592 -0.267 1
1 675 . 18 1 1 A 63 63 VAL C C 63 171.906 174.037 -2.131 1
1 676 . 18 1 1 A 63 63 VAL CA C 63 61.052 60.600 0.452 1
1 677 . 18 1 1 A 63 63 VAL CB C 63 34.800 34.665 0.135 1
1 680 . 18 1 1 A 63 63 VAL N N 63 118.122 119.158 -1.036 1
1 681 . 18 1 1 A 64 64 THR H H 64 8.316 8.713 -0.397 1
1 682 . 18 1 1 A 64 64 THR HA H 64 4.970 4.906 0.064 1
1 687 . 18 1 1 A 64 64 THR C C 64 173.412 173.430 -0.018 1
1 688 . 18 1 1 A 64 64 THR CA C 64 61.775 61.825 -0.050 1
1 689 . 18 1 1 A 64 64 THR CB C 64 69.851 70.108 -0.257 1
1 691 . 18 1 1 A 64 64 THR N N 64 122.871 122.997 -0.126 1
1 692 . 18 1 1 A 65 65 LEU H H 65 9.348 8.529 0.819 1
1 693 . 18 1 1 A 65 65 LEU HA H 65 4.584 4.734 -0.150 1
1 703 . 18 1 1 A 65 65 LEU C C 65 173.397 174.912 -1.515 1
1 704 . 18 1 1 A 65 65 LEU CA C 65 50.297 51.127 -0.830 1
1 705 . 18 1 1 A 65 65 LEU CB C 65 41.547 41.970 -0.423 1
1 709 . 18 1 1 A 65 65 LEU N N 65 129.778 127.805 1.973 1
1 710 . 18 1 1 A 66 66 PRO HA H 66 4.868 4.354 0.514 1
1 717 . 18 1 1 A 66 66 PRO C C 66 175.188 176.263 -1.075 1
1 718 . 18 1 1 A 66 66 PRO CA C 66 61.370 62.776 -1.406 1
1 719 . 18 1 1 A 66 66 PRO CB C 66 33.700 32.682 1.018 1
1 722 . 18 1 1 A 67 67 ASP H H 67 8.729 8.805 -0.076 1
1 723 . 18 1 1 A 67 67 ASP HA H 67 4.333 4.108 0.225 1
1 726 . 18 1 1 A 67 67 ASP C C 67 175.824 174.804 1.020 1
1 727 . 18 1 1 A 67 67 ASP CA C 67 55.181 54.811 0.370 1
1 728 . 18 1 1 A 67 67 ASP CB C 67 39.225 39.494 -0.269 1
1 729 . 18 1 1 A 67 67 ASP N N 67 113.984 116.244 -2.260 1
1 730 . 18 1 1 A 68 68 LEU H H 68 8.599 7.884 0.715 1
1 731 . 18 1 1 A 68 68 LEU HA H 68 4.414 4.778 -0.364 1
1 741 . 18 1 1 A 68 68 LEU C C 68 176.487 176.281 0.206 1
1 742 . 18 1 1 A 68 68 LEU CA C 68 53.259 53.319 -0.060 1
1 743 . 18 1 1 A 68 68 LEU CB C 68 41.630 44.176 -2.546 1
1 747 . 18 1 1 A 68 68 LEU N N 68 118.102 118.674 -0.572 1
1 748 . 18 1 1 A 69 69 GLN H H 69 8.114 8.904 -0.790 1
1 749 . 18 1 1 A 69 69 GLN HA H 69 4.349 4.784 -0.435 1
1 756 . 18 1 1 A 69 69 GLN C C 69 175.669 174.854 0.815 1
1 757 . 18 1 1 A 69 69 GLN CA C 69 54.722 54.480 0.242 1
1 758 . 18 1 1 A 69 69 GLN CB C 69 30.803 31.282 -0.479 1
1 760 . 18 1 1 A 69 69 GLN N N 69 118.191 120.062 -1.871 1
1 762 . 18 1 1 A 70 70 ALA H H 70 8.240 8.743 -0.503 1
1 763 . 18 1 1 A 70 70 ALA HA H 70 4.835 4.976 -0.141 1
1 767 . 18 1 1 A 70 70 ALA C C 70 178.720 176.959 1.761 1
1 768 . 18 1 1 A 70 70 ALA CA C 70 52.501 50.407 2.094 1
1 769 . 18 1 1 A 70 70 ALA CB C 70 20.257 21.738 -1.481 1
1 770 . 18 1 1 A 70 70 ALA N N 70 124.989 121.270 3.719 1
1 771 . 18 1 1 A 71 71 ALA H H 71 8.003 8.475 -0.472 1
1 772 . 18 1 1 A 71 71 ALA HA H 71 3.974 3.860 0.114 1
1 776 . 18 1 1 A 71 71 ALA C C 71 176.118 176.016 0.102 1
1 777 . 18 1 1 A 71 71 ALA CA C 71 52.491 53.053 -0.562 1
1 778 . 18 1 1 A 71 71 ALA CB C 71 18.439 17.696 0.743 1
1 779 . 18 1 1 A 71 71 ALA N N 71 128.133 120.136 7.997 1
1 780 . 18 1 1 A 72 72 THR H H 72 8.391 7.430 0.961 1
1 781 . 18 1 1 A 72 72 THR HA H 72 4.563 4.869 -0.306 1
1 786 . 18 1 1 A 72 72 THR C C 72 172.643 173.784 -1.141 1
1 787 . 18 1 1 A 72 72 THR CA C 72 62.856 60.775 2.081 1
1 788 . 18 1 1 A 72 72 THR CB C 72 71.924 72.492 -0.568 1
1 790 . 18 1 1 A 72 72 THR N N 72 114.280 110.949 3.331 1
1 791 . 18 1 1 A 73 73 LYS H H 73 8.691 8.322 0.369 1
1 792 . 18 1 1 A 73 73 LYS HA H 73 4.846 4.834 0.012 1
1 801 . 18 1 1 A 73 73 LYS C C 73 176.405 175.335 1.070 1
1 802 . 18 1 1 A 73 73 LYS CA C 73 55.992 55.933 0.059 1
1 803 . 18 1 1 A 73 73 LYS CB C 73 33.535 34.599 -1.064 1
1 807 . 18 1 1 A 73 73 LYS N N 73 125.989 124.468 1.521 1
1 808 . 18 1 1 A 74 74 TYR H H 74 9.569 8.759 0.810 1
1 809 . 18 1 1 A 74 74 TYR HA H 74 4.758 5.106 -0.348 1
1 816 . 18 1 1 A 74 74 TYR C C 74 173.567 174.867 -1.300 1
1 817 . 18 1 1 A 74 74 TYR CA C 74 58.778 56.663 2.115 1
1 818 . 18 1 1 A 74 74 TYR CB C 74 42.667 41.206 1.461 1
1 823 . 18 1 1 A 74 74 TYR N N 74 126.436 117.941 8.495 1
1 824 . 18 1 1 A 75 75 ARG H H 75 9.005 8.887 0.118 1
1 825 . 18 1 1 A 75 75 ARG HA H 75 5.053 4.925 0.128 1
1 832 . 18 1 1 A 75 75 ARG C C 75 175.042 174.928 0.114 1
1 833 . 18 1 1 A 75 75 ARG CA C 75 55.027 56.562 -1.535 1
1 834 . 18 1 1 A 75 75 ARG CB C 75 32.284 30.534 1.750 1
1 837 . 18 1 1 A 75 75 ARG N N 75 121.560 126.235 -4.675 1
1 838 . 18 1 1 A 76 76 VAL H H 76 9.127 9.224 -0.097 1
1 839 . 18 1 1 A 76 76 VAL HA H 76 4.977 4.549 0.428 1
1 847 . 18 1 1 A 76 76 VAL C C 76 173.144 175.441 -2.297 1
1 848 . 18 1 1 A 76 76 VAL CA C 76 60.876 62.252 -1.376 1
1 849 . 18 1 1 A 76 76 VAL CB C 76 34.922 31.725 3.197 1
1 852 . 18 1 1 A 76 76 VAL N N 76 127.571 127.423 0.148 1
1 853 . 18 1 1 A 77 77 LEU H H 77 9.083 9.517 -0.434 1
1 854 . 18 1 1 A 77 77 LEU HA H 77 5.350 5.598 -0.248 1
1 864 . 18 1 1 A 77 77 LEU C C 77 176.622 175.672 0.950 1
1 865 . 18 1 1 A 77 77 LEU CA C 77 53.911 53.133 0.778 1
1 866 . 18 1 1 A 77 77 LEU CB C 77 44.959 42.866 2.093 1
1 870 . 18 1 1 A 77 77 LEU N N 77 127.310 129.028 -1.718 1
1 871 . 18 1 1 A 78 78 VAL H H 78 8.918 8.630 0.288 1
1 872 . 18 1 1 A 78 78 VAL HA H 78 4.890 4.822 0.068 1
1 880 . 18 1 1 A 78 78 VAL C C 78 174.235 175.030 -0.795 1
1 881 . 18 1 1 A 78 78 VAL CA C 78 61.193 60.635 0.558 1
1 882 . 18 1 1 A 78 78 VAL CB C 78 34.718 33.678 1.040 1
1 885 . 18 1 1 A 78 78 VAL N N 78 119.228 126.426 -7.198 1
1 886 . 18 1 1 A 79 79 SER H H 79 8.598 8.675 -0.077 1
1 887 . 18 1 1 A 79 79 SER HA H 79 4.725 4.904 -0.179 1
1 890 . 18 1 1 A 79 79 SER C C 79 172.877 172.842 0.035 1
1 891 . 18 1 1 A 79 79 SER CA C 79 56.680 57.681 -1.001 1
1 892 . 18 1 1 A 79 79 SER CB C 79 65.806 66.295 -0.489 1
1 893 . 18 1 1 A 79 79 SER N N 79 119.664 121.325 -1.661 1
1 894 . 18 1 1 A 80 80 ALA H H 80 8.939 8.069 0.870 1
1 895 . 18 1 1 A 80 80 ALA HA H 80 4.325 4.759 -0.434 1
1 899 . 18 1 1 A 80 80 ALA C C 80 174.050 176.393 -2.343 1
1 900 . 18 1 1 A 80 80 ALA CA C 80 51.126 51.590 -0.464 1
1 901 . 18 1 1 A 80 80 ALA CB C 80 21.990 19.689 2.301 1
1 902 . 18 1 1 A 80 80 ALA N N 80 126.283 127.919 -1.636 1
1 903 . 18 1 1 A 81 81 ILE H H 81 8.424 8.473 -0.049 1
1 904 . 18 1 1 A 81 81 ILE HA H 81 4.116 4.491 -0.375 1
1 914 . 18 1 1 A 81 81 ILE C C 81 173.862 174.420 -0.558 1
1 915 . 18 1 1 A 81 81 ILE CA C 81 61.175 59.989 1.186 1
1 916 . 18 1 1 A 81 81 ILE CB C 81 36.015 38.085 -2.070 1
1 920 . 18 1 1 A 81 81 ILE N N 81 123.033 123.162 -0.129 1
1 921 . 18 1 1 A 82 82 TYR H H 82 8.377 8.648 -0.271 1
1 922 . 18 1 1 A 82 82 TYR HA H 82 4.681 4.884 -0.203 1
1 929 . 18 1 1 A 82 82 TYR C C 82 176.146 176.525 -0.379 1
1 930 . 18 1 1 A 82 82 TYR CA C 82 56.309 56.883 -0.574 1
1 931 . 18 1 1 A 82 82 TYR CB C 82 40.734 41.592 -0.858 1
1 936 . 18 1 1 A 82 82 TYR N N 82 125.168 126.745 -1.577 1
1 937 . 18 1 1 A 83 83 ALA H H 83 9.437 9.042 0.395 1
1 938 . 18 1 1 A 83 83 ALA HA H 83 4.059 4.097 -0.038 1
1 942 . 18 1 1 A 83 83 ALA C C 83 179.312 179.940 -0.628 1
1 943 . 18 1 1 A 83 83 ALA CA C 83 55.729 55.630 0.099 1
1 944 . 18 1 1 A 83 83 ALA CB C 83 17.613 18.397 -0.784 1
1 945 . 18 1 1 A 83 83 ALA N N 83 125.234 125.230 0.004 1
1 946 . 18 1 1 A 84 84 ALA H H 84 7.823 7.919 -0.096 1
1 947 . 18 1 1 A 84 84 ALA HA H 84 4.434 4.105 0.329 1
1 951 . 18 1 1 A 84 84 ALA C C 84 176.808 177.767 -0.959 1
1 952 . 18 1 1 A 84 84 ALA CA C 84 51.936 54.971 -3.035 1
1 953 . 18 1 1 A 84 84 ALA CB C 84 19.514 19.638 -0.124 1
1 954 . 18 1 1 A 84 84 ALA N N 84 114.587 119.728 -5.141 1
1 955 . 18 1 1 A 85 85 GLY H H 85 7.366 7.433 -0.067 1
1 956 . 18 1 1 A 85 85 GLY HA2 H 85 4.362 3.996 0.366 1
1 957 . 18 1 1 A 85 85 GLY HA3 H 85 3.835 4.006 -0.171 1
1 958 . 18 1 1 A 85 85 GLY C C 85 171.544 172.204 -0.660 1
1 959 . 18 1 1 A 85 85 GLY CA C 85 44.576 45.670 -1.094 1
1 960 . 18 1 1 A 85 85 GLY N N 85 105.342 102.074 3.268 1
1 961 . 18 1 1 A 86 86 ARG H H 86 8.626 8.445 0.181 1
1 962 . 18 1 1 A 86 86 ARG HA H 86 5.263 4.952 0.311 1
1 969 . 18 1 1 A 86 86 ARG C C 86 176.925 176.112 0.813 1
1 970 . 18 1 1 A 86 86 ARG CA C 86 54.863 55.835 -0.972 1
1 971 . 18 1 1 A 86 86 ARG CB C 86 33.491 31.059 2.432 1
1 974 . 18 1 1 A 86 86 ARG N N 86 118.147 117.878 0.269 1
1 975 . 18 1 1 A 87 87 SER H H 87 9.496 8.993 0.503 1
1 976 . 18 1 1 A 87 87 SER HA H 87 4.747 4.684 0.063 1
1 979 . 18 1 1 A 87 87 SER C C 87 174.538 174.559 -0.021 1
1 980 . 18 1 1 A 87 87 SER CA C 87 58.284 57.865 0.419 1
1 981 . 18 1 1 A 87 87 SER CB C 87 67.271 65.604 1.667 1
1 982 . 18 1 1 A 87 87 SER N N 87 119.835 114.790 5.045 1
1 983 . 18 1 1 A 88 88 GLU H H 88 9.058 8.574 0.484 1
1 984 . 18 1 1 A 88 88 GLU HA H 88 4.342 4.235 0.107 1
1 989 . 18 1 1 A 88 88 GLU C C 88 176.157 175.799 0.358 1
1 990 . 18 1 1 A 88 88 GLU CA C 88 56.874 55.983 0.891 1
1 991 . 18 1 1 A 88 88 GLU CB C 88 30.350 30.260 0.090 1
1 993 . 18 1 1 A 88 88 GLU N N 88 119.700 120.127 -0.427 1
1 994 . 18 1 1 A 89 89 ALA H H 89 8.674 8.472 0.202 1
1 995 . 18 1 1 A 89 89 ALA HA H 89 4.918 5.535 -0.617 1
1 999 . 18 1 1 A 89 89 ALA C C 89 178.887 176.071 2.816 1
1 1000 . 18 1 1 A 89 89 ALA CA C 89 51.340 50.519 0.821 1
1 1001 . 18 1 1 A 89 89 ALA CB C 89 20.130 21.785 -1.655 1
1 1002 . 18 1 1 A 89 89 ALA N N 89 125.485 122.159 3.326 1
1 1003 . 18 1 1 A 90 90 VAL H H 90 8.621 8.491 0.130 1
1 1004 . 18 1 1 A 90 90 VAL HA H 90 4.562 4.840 -0.278 1
1 1012 . 18 1 1 A 90 90 VAL C C 90 174.251 175.342 -1.091 1
1 1013 . 18 1 1 A 90 90 VAL CA C 90 60.365 60.594 -0.229 1
1 1014 . 18 1 1 A 90 90 VAL CB C 90 33.770 33.379 0.391 1
1 1017 . 18 1 1 A 90 90 VAL N N 90 119.440 119.884 -0.444 1
1 1018 . 18 1 1 A 91 91 SER H H 91 8.373 8.601 -0.228 1
1 1019 . 18 1 1 A 91 91 SER HA H 91 5.877 5.328 0.549 1
1 1022 . 18 1 1 A 91 91 SER C C 91 174.245 173.406 0.839 1
1 1023 . 18 1 1 A 91 91 SER CA C 91 56.109 57.973 -1.864 1
1 1024 . 18 1 1 A 91 91 SER CB C 91 67.620 64.852 2.768 1
1 1025 . 18 1 1 A 91 91 SER N N 91 116.084 123.725 -7.641 1
1 1026 . 18 1 1 A 92 92 ALA H H 92 8.900 8.844 0.056 1
1 1027 . 18 1 1 A 92 92 ALA HA H 92 4.681 4.924 -0.243 1
1 1031 . 18 1 1 A 92 92 ALA C C 92 175.187 175.916 -0.729 1
1 1032 . 18 1 1 A 92 92 ALA CA C 92 51.990 51.691 0.299 1
1 1033 . 18 1 1 A 92 92 ALA CB C 92 23.056 23.400 -0.344 1
1 1034 . 18 1 1 A 92 92 ALA N N 92 123.885 124.123 -0.238 1
1 1035 . 18 1 1 A 93 93 THR H H 93 8.466 8.638 -0.172 1
1 1036 . 18 1 1 A 93 93 THR HA H 93 5.623 5.381 0.242 1
1 1041 . 18 1 1 A 93 93 THR C C 93 174.366 174.178 0.188 1
1 1042 . 18 1 1 A 93 93 THR CA C 93 60.154 59.882 0.272 1
1 1043 . 18 1 1 A 93 93 THR CB C 93 71.657 70.742 0.915 1
1 1045 . 18 1 1 A 93 93 THR N N 93 112.591 111.765 0.826 1
1 1046 . 18 1 1 A 94 94 GLY H H 94 8.657 8.955 -0.298 1
1 1047 . 18 1 1 A 94 94 GLY HA2 H 94 4.483 4.242 0.241 1
1 1048 . 18 1 1 A 94 94 GLY HA3 H 94 3.625 4.250 -0.625 1
1 1049 . 18 1 1 A 94 94 GLY C C 94 170.518 173.433 -2.915 1
1 1050 . 18 1 1 A 94 94 GLY CA C 94 44.849 45.034 -0.185 1
1 1051 . 18 1 1 A 94 94 GLY N N 94 111.375 110.052 1.323 1
1 1052 . 18 1 1 A 95 95 GLN H H 95 8.667 8.877 -0.210 1
1 1053 . 18 1 1 A 95 95 GLN HA H 95 5.491 4.318 1.173 1
1 1060 . 18 1 1 A 95 95 GLN C C 95 176.226 175.395 0.831 1
1 1061 . 18 1 1 A 95 95 GLN CA C 95 54.000 56.624 -2.624 1
1 1062 . 18 1 1 A 95 95 GLN CB C 95 32.822 29.387 3.435 1
1 1064 . 18 1 1 A 95 95 GLN N N 95 120.893 126.356 -5.463 1
1 1066 . 18 1 1 A 96 96 THR H H 96 8.609 8.467 0.142 1
1 1067 . 18 1 1 A 96 96 THR HA H 96 4.384 4.911 -0.527 1
1 1072 . 18 1 1 A 96 96 THR C C 96 175.194 174.374 0.820 1
1 1073 . 18 1 1 A 96 96 THR CA C 96 60.783 61.142 -0.359 1
1 1074 . 18 1 1 A 96 96 THR CB C 96 70.198 71.720 -1.522 1
1 1076 . 18 1 1 A 96 96 THR N N 96 115.777 115.520 0.257 1
1 1077 . 18 1 1 A 97 97 ALA H H 97 8.009 8.295 -0.286 1
1 1078 . 18 1 1 A 97 97 ALA HA H 97 4.186 4.678 -0.492 1
1 1082 . 18 1 1 A 97 97 ALA C C 97 176.174 176.504 -0.330 1
1 1083 . 18 1 1 A 97 97 ALA CA C 97 52.077 51.258 0.819 1
1 1084 . 18 1 1 A 97 97 ALA CB C 97 19.001 19.996 -0.995 1
1 1085 . 18 1 1 A 97 97 ALA N N 97 120.015 122.753 -2.738 1
1 1086 . 18 1 1 A 98 98 CYS H H 98 8.239 8.688 -0.449 1
1 1087 . 18 1 1 A 98 98 CYS HA H 98 4.705 5.101 -0.396 1
1 1090 . 18 1 1 A 98 98 CYS C C 98 173.203 172.913 0.290 1
1 1091 . 18 1 1 A 98 98 CYS CA C 98 56.644 55.648 0.996 1
1 1092 . 18 1 1 A 98 98 CYS CB C 98 27.357 30.102 -2.745 1
1 1093 . 18 1 1 A 98 98 CYS N N 98 116.874 120.702 -3.828 1
1 1094 . 18 1 1 A 99 99 PRO HA H 99 4.421 4.714 -0.293 1
1 1101 . 18 1 1 A 99 99 PRO CA C 99 63.337 62.341 0.996 1
1 1102 . 18 1 1 A 99 99 PRO CB C 99 32.132 30.154 1.978 1
1 1105 . 18 1 1 A 100 100 SER H H 100 8.463 8.506 -0.043 1
1 1106 . 18 1 1 A 100 100 SER HA H 100 4.470 4.609 -0.139 1
1 1109 . 18 1 1 A 100 100 SER CA C 100 58.453 59.338 -0.885 1
1 1110 . 18 1 1 A 100 100 SER CB C 100 64.023 65.252 -1.229 1
1 1111 . 18 1 1 A 100 100 SER N N 100 116.426 119.056 -2.630 1
1 1112 . 18 1 1 A 101 101 GLY H H 101 8.237 7.823 0.414 1
1 1113 . 18 1 1 A 101 101 GLY HA2 H 101 4.165 4.161 0.004 1
1 1114 . 18 1 1 A 101 101 GLY HA3 H 101 4.100 4.161 -0.061 1
1 1115 . 18 1 1 A 101 101 GLY CA C 101 44.647 44.477 0.170 1
1 1116 . 18 1 1 A 101 101 GLY N N 101 110.731 106.858 3.873 1
1 1117 . 18 1 1 A 102 102 PRO HA H 102 4.484 4.481 0.003 1
1 1123 . 18 1 1 A 102 102 PRO CA C 102 63.069 63.707 -0.638 1
1 1124 . 18 1 1 A 102 102 PRO CB C 102 32.189 32.053 0.136 1
1 1127 . 18 1 1 A 103 103 SER H H 103 8.540 8.322 0.218 1
1 1 . 19 1 1 A 5 5 SER N N 5 119.122 118.644 0.478 1
1 2 . 19 1 1 A 6 6 SER N N 6 123.945 118.230 5.715 1
1 3 . 19 1 1 A 7 7 GLY HA2 H 7 3.813 3.805 0.008 1
1 4 . 19 1 1 A 7 7 GLY HA3 H 7 3.813 3.831 -0.018 1
1 5 . 19 1 1 A 7 7 GLY CA C 7 45.375 44.909 0.466 1
1 6 . 19 1 1 A 8 8 ARG H H 8 7.999 8.320 -0.321 1
1 7 . 19 1 1 A 8 8 ARG HA H 8 3.712 3.508 0.204 1
1 14 . 19 1 1 A 8 8 ARG CA C 8 54.185 56.083 -1.898 1
1 15 . 19 1 1 A 8 8 ARG CB C 8 29.555 30.502 -0.947 1
1 18 . 19 1 1 A 8 8 ARG N N 8 121.209 121.193 0.016 1
1 19 . 19 1 1 A 9 9 SER H H 9 7.810 8.216 -0.406 1
1 20 . 19 1 1 A 9 9 SER HA H 9 4.725 5.015 -0.290 1
1 23 . 19 1 1 A 9 9 SER CA C 9 58.455 54.514 3.941 1
1 24 . 19 1 1 A 9 9 SER CB C 9 62.966 65.298 -2.332 1
1 25 . 19 1 1 A 9 9 SER N N 9 118.072 119.490 -1.418 1
1 26 . 19 1 1 A 10 10 PRO HA H 10 5.182 4.942 0.240 1
1 33 . 19 1 1 A 10 10 PRO CA C 10 61.759 61.278 0.481 1
1 34 . 19 1 1 A 10 10 PRO CB C 10 30.280 31.521 -1.241 1
1 37 . 19 1 1 A 11 11 PRO HA H 11 4.567 4.763 -0.196 1
1 44 . 19 1 1 A 11 11 PRO C C 11 173.556 176.072 -2.516 1
1 45 . 19 1 1 A 11 11 PRO CA C 11 62.674 62.721 -0.047 1
1 46 . 19 1 1 A 11 11 PRO CB C 11 33.026 31.687 1.339 1
1 49 . 19 1 1 A 12 12 SER H H 12 8.427 8.708 -0.281 1
1 50 . 19 1 1 A 12 12 SER HA H 12 4.890 4.949 -0.059 1
1 53 . 19 1 1 A 12 12 SER C C 12 173.115 173.825 -0.710 1
1 54 . 19 1 1 A 12 12 SER CA C 12 56.556 57.185 -0.629 1
1 55 . 19 1 1 A 12 12 SER CB C 12 66.882 66.363 0.519 1
1 56 . 19 1 1 A 12 12 SER N N 12 111.345 118.188 -6.843 1
1 57 . 19 1 1 A 13 13 ASN H H 13 8.973 8.824 0.149 1
1 58 . 19 1 1 A 13 13 ASN HA H 13 4.318 4.284 0.034 1
1 63 . 19 1 1 A 13 13 ASN C C 13 173.850 174.724 -0.874 1
1 64 . 19 1 1 A 13 13 ASN CA C 13 53.928 54.219 -0.291 1
1 65 . 19 1 1 A 13 13 ASN CB C 13 37.365 36.983 0.382 1
1 66 . 19 1 1 A 13 13 ASN N N 13 115.970 116.868 -0.898 1
1 68 . 19 1 1 A 14 14 LEU H H 14 8.223 8.207 0.016 1
1 69 . 19 1 1 A 14 14 LEU HA H 14 4.857 4.523 0.334 1
1 79 . 19 1 1 A 14 14 LEU C C 14 176.725 177.095 -0.370 1
1 80 . 19 1 1 A 14 14 LEU CA C 14 56.115 56.280 -0.165 1
1 81 . 19 1 1 A 14 14 LEU CB C 14 42.621 41.925 0.696 1
1 85 . 19 1 1 A 14 14 LEU N N 14 119.681 119.808 -0.127 1
1 86 . 19 1 1 A 15 15 ALA H H 15 9.364 8.378 0.986 1
1 87 . 19 1 1 A 15 15 ALA HA H 15 4.736 5.171 -0.435 1
1 91 . 19 1 1 A 15 15 ALA C C 15 175.056 175.407 -0.351 1
1 92 . 19 1 1 A 15 15 ALA CA C 15 51.496 50.769 0.727 1
1 93 . 19 1 1 A 15 15 ALA CB C 15 22.285 21.691 0.594 1
1 94 . 19 1 1 A 15 15 ALA N N 15 130.359 125.717 4.642 1
1 95 . 19 1 1 A 16 16 LEU H H 16 8.448 9.270 -0.822 1
1 96 . 19 1 1 A 16 16 LEU HA H 16 5.385 5.319 0.066 1
1 106 . 19 1 1 A 16 16 LEU C C 16 175.868 175.781 0.087 1
1 107 . 19 1 1 A 16 16 LEU CA C 16 53.224 53.613 -0.389 1
1 108 . 19 1 1 A 16 16 LEU CB C 16 45.061 42.880 2.181 1
1 112 . 19 1 1 A 16 16 LEU N N 16 120.470 123.755 -3.285 1
1 113 . 19 1 1 A 17 17 ALA H H 17 8.737 9.443 -0.706 1
1 114 . 19 1 1 A 17 17 ALA HA H 17 4.620 5.392 -0.772 1
1 118 . 19 1 1 A 17 17 ALA C C 17 175.371 175.263 0.108 1
1 119 . 19 1 1 A 17 17 ALA CA C 17 51.249 50.132 1.117 1
1 120 . 19 1 1 A 17 17 ALA CB C 17 22.570 21.589 0.981 1
1 121 . 19 1 1 A 17 17 ALA N N 17 124.938 128.511 -3.573 1
1 122 . 19 1 1 A 18 18 SER H H 18 8.675 8.666 0.009 1
1 123 . 19 1 1 A 18 18 SER HA H 18 5.021 4.848 0.173 1
1 126 . 19 1 1 A 18 18 SER C C 18 174.678 175.138 -0.460 1
1 127 . 19 1 1 A 18 18 SER CA C 18 57.244 56.379 0.865 1
1 128 . 19 1 1 A 18 18 SER CB C 18 64.200 64.612 -0.412 1
1 129 . 19 1 1 A 18 18 SER N N 18 113.933 118.703 -4.770 1
1 130 . 19 1 1 A 19 19 GLU H H 19 9.743 8.776 0.967 1
1 131 . 19 1 1 A 19 19 GLU HA H 19 4.466 4.661 -0.195 1
1 136 . 19 1 1 A 19 19 GLU C C 19 176.368 175.926 0.442 1
1 137 . 19 1 1 A 19 19 GLU CA C 19 56.295 55.755 0.540 1
1 138 . 19 1 1 A 19 19 GLU CB C 19 31.532 30.804 0.728 1
1 140 . 19 1 1 A 19 19 GLU N N 19 127.234 123.265 3.969 1
1 141 . 19 1 1 A 20 20 THR H H 20 7.759 7.530 0.229 1
1 142 . 19 1 1 A 20 20 THR HA H 20 4.935 4.526 0.409 1
1 147 . 19 1 1 A 20 20 THR C C 20 171.770 173.136 -1.366 1
1 148 . 19 1 1 A 20 20 THR CA C 20 58.337 58.953 -0.616 1
1 149 . 19 1 1 A 20 20 THR CB C 20 69.869 70.674 -0.805 1
1 151 . 19 1 1 A 20 20 THR N N 20 109.600 112.986 -3.386 1
1 152 . 19 1 1 A 21 21 PRO HA H 21 4.587 4.451 0.136 1
1 159 . 19 1 1 A 21 21 PRO C C 21 173.647 176.594 -2.947 1
1 160 . 19 1 1 A 21 21 PRO CA C 21 64.332 63.852 0.480 1
1 161 . 19 1 1 A 21 21 PRO CB C 21 32.380 31.520 0.860 1
1 164 . 19 1 1 A 22 22 ASP H H 22 7.420 8.466 -1.046 1
1 165 . 19 1 1 A 22 22 ASP HA H 22 4.648 5.192 -0.544 1
1 168 . 19 1 1 A 22 22 ASP C C 22 175.838 175.871 -0.033 1
1 169 . 19 1 1 A 22 22 ASP CA C 22 51.037 53.605 -2.568 1
1 170 . 19 1 1 A 22 22 ASP CB C 22 42.177 42.428 -0.251 1
1 171 . 19 1 1 A 22 22 ASP N N 22 107.201 116.418 -9.217 1
1 172 . 19 1 1 A 23 23 SER H H 23 7.729 7.689 0.040 1
1 173 . 19 1 1 A 23 23 SER HA H 23 5.474 5.172 0.302 1
1 176 . 19 1 1 A 23 23 SER C C 23 171.887 172.196 -0.309 1
1 177 . 19 1 1 A 23 23 SER CA C 23 57.481 57.405 0.076 1
1 178 . 19 1 1 A 23 23 SER CB C 23 68.168 67.174 0.994 1
1 179 . 19 1 1 A 23 23 SER N N 23 112.046 113.899 -1.853 1
1 180 . 19 1 1 A 24 24 LEU H H 24 7.884 8.221 -0.337 1
1 181 . 19 1 1 A 24 24 LEU HA H 24 4.769 4.728 0.041 1
1 191 . 19 1 1 A 24 24 LEU C C 24 174.542 174.960 -0.418 1
1 192 . 19 1 1 A 24 24 LEU CA C 24 53.576 54.127 -0.551 1
1 193 . 19 1 1 A 24 24 LEU CB C 24 47.616 45.339 2.277 1
1 197 . 19 1 1 A 24 24 LEU N N 24 119.324 123.676 -4.352 1
1 198 . 19 1 1 A 25 25 GLN H H 25 9.356 8.947 0.409 1
1 199 . 19 1 1 A 25 25 GLN HA H 25 4.747 4.405 0.342 1
1 206 . 19 1 1 A 25 25 GLN C C 25 174.824 175.012 -0.188 1
1 207 . 19 1 1 A 25 25 GLN CA C 25 55.533 56.354 -0.821 1
1 208 . 19 1 1 A 25 25 GLN CB C 25 29.759 29.677 0.082 1
1 210 . 19 1 1 A 25 25 GLN N N 25 124.019 127.926 -3.907 1
1 212 . 19 1 1 A 26 26 VAL H H 26 9.020 8.555 0.465 1
1 213 . 19 1 1 A 26 26 VAL HA H 26 4.824 5.001 -0.177 1
1 221 . 19 1 1 A 26 26 VAL C C 26 174.556 173.882 0.674 1
1 222 . 19 1 1 A 26 26 VAL CA C 26 60.629 60.181 0.448 1
1 223 . 19 1 1 A 26 26 VAL CB C 26 33.355 35.359 -2.004 1
1 226 . 19 1 1 A 26 26 VAL N N 26 127.649 124.425 3.224 1
1 227 . 19 1 1 A 27 27 SER H H 27 9.056 8.655 0.401 1
1 228 . 19 1 1 A 27 27 SER HA H 27 4.857 4.495 0.362 1
1 231 . 19 1 1 A 27 27 SER C C 27 172.328 172.460 -0.132 1
1 232 . 19 1 1 A 27 27 SER CA C 27 57.138 55.869 1.269 1
1 233 . 19 1 1 A 27 27 SER CB C 27 66.864 65.356 1.508 1
1 234 . 19 1 1 A 27 27 SER N N 27 119.826 121.927 -2.101 1
1 235 . 19 1 1 A 28 28 TRP H H 28 7.584 8.224 -0.640 1
1 236 . 19 1 1 A 28 28 TRP HA H 28 5.022 5.316 -0.294 1
1 245 . 19 1 1 A 28 28 TRP C C 28 174.055 172.967 1.088 1
1 246 . 19 1 1 A 28 28 TRP CA C 28 56.609 55.963 0.646 1
1 247 . 19 1 1 A 28 28 TRP CB C 28 29.814 31.276 -1.462 1
1 253 . 19 1 1 A 28 28 TRP N N 28 115.280 119.934 -4.654 1
1 255 . 19 1 1 A 29 29 THR H H 29 9.293 8.805 0.488 1
1 256 . 19 1 1 A 29 29 THR HA H 29 4.865 4.833 0.032 1
1 261 . 19 1 1 A 29 29 THR C C 29 173.203 173.345 -0.142 1
1 262 . 19 1 1 A 29 29 THR CA C 29 59.889 59.226 0.663 1
1 263 . 19 1 1 A 29 29 THR CB C 29 69.774 70.328 -0.554 1
1 265 . 19 1 1 A 29 29 THR N N 29 117.164 114.527 2.637 1
1 266 . 19 1 1 A 30 30 PRO HA H 30 4.809 4.968 -0.159 1
1 273 . 19 1 1 A 30 30 PRO CA C 30 61.701 61.933 -0.232 1
1 274 . 19 1 1 A 30 30 PRO CB C 30 32.114 32.268 -0.154 1
1 277 . 19 1 1 A 31 31 PRO HA H 31 4.703 4.745 -0.042 1
1 284 . 19 1 1 A 31 31 PRO C C 31 175.384 176.211 -0.827 1
1 285 . 19 1 1 A 31 31 PRO CA C 31 61.793 62.438 -0.645 1
1 286 . 19 1 1 A 31 31 PRO CB C 31 32.822 33.437 -0.615 1
1 289 . 19 1 1 A 32 32 LEU H H 32 8.312 8.170 0.142 1
1 290 . 19 1 1 A 32 32 LEU HA H 32 4.333 4.461 -0.128 1
1 300 . 19 1 1 A 32 32 LEU C C 32 177.793 177.879 -0.086 1
1 301 . 19 1 1 A 32 32 LEU CA C 32 55.851 55.681 0.170 1
1 302 . 19 1 1 A 32 32 LEU CB C 32 41.968 43.086 -1.118 1
1 306 . 19 1 1 A 32 32 LEU N N 32 119.044 117.682 1.362 1
1 307 . 19 1 1 A 33 33 GLY H H 33 8.147 7.874 0.273 1
1 308 . 19 1 1 A 33 33 GLY HA2 H 33 4.210 4.090 0.120 1
1 309 . 19 1 1 A 33 33 GLY HA3 H 33 4.051 4.121 -0.070 1
1 310 . 19 1 1 A 33 33 GLY C C 33 172.971 173.123 -0.152 1
1 311 . 19 1 1 A 33 33 GLY CA C 33 44.216 45.544 -1.328 1
1 312 . 19 1 1 A 33 33 GLY N N 33 107.917 108.272 -0.355 1
1 313 . 19 1 1 A 34 34 ARG H H 34 8.671 8.528 0.143 1
1 314 . 19 1 1 A 34 34 ARG HA H 34 4.405 4.460 -0.055 1
1 321 . 19 1 1 A 34 34 ARG C C 34 174.517 175.277 -0.760 1
1 322 . 19 1 1 A 34 34 ARG CA C 34 55.339 56.778 -1.439 1
1 323 . 19 1 1 A 34 34 ARG CB C 34 29.137 30.687 -1.550 1
1 326 . 19 1 1 A 34 34 ARG N N 34 121.152 123.425 -2.273 1
1 327 . 19 1 1 A 35 35 VAL H H 35 7.825 8.504 -0.679 1
1 328 . 19 1 1 A 35 35 VAL HA H 35 3.060 4.292 -1.232 1
1 336 . 19 1 1 A 35 35 VAL C C 35 176.613 175.093 1.520 1
1 337 . 19 1 1 A 35 35 VAL CA C 35 62.505 59.828 2.677 1
1 338 . 19 1 1 A 35 35 VAL CB C 35 32.534 33.767 -1.233 1
1 341 . 19 1 1 A 35 35 VAL N N 35 126.379 127.661 -1.282 1
1 342 . 19 1 1 A 36 36 LEU H H 36 8.874 8.429 0.445 1
1 343 . 19 1 1 A 36 36 LEU HA H 36 4.176 4.194 -0.018 1
1 353 . 19 1 1 A 36 36 LEU C C 36 177.540 177.056 0.484 1
1 354 . 19 1 1 A 36 36 LEU CA C 36 57.050 57.111 -0.061 1
1 355 . 19 1 1 A 36 36 LEU CB C 36 41.723 42.595 -0.872 1
1 359 . 19 1 1 A 36 36 LEU N N 36 127.956 130.543 -2.587 1
1 360 . 19 1 1 A 37 37 HIS H H 37 7.231 7.472 -0.241 1
1 361 . 19 1 1 A 37 37 HIS HA H 37 4.615 5.283 -0.668 1
1 366 . 19 1 1 A 37 37 HIS C C 37 171.558 172.186 -0.628 1
1 367 . 19 1 1 A 37 37 HIS CA C 37 55.005 54.178 0.827 1
1 368 . 19 1 1 A 37 37 HIS CB C 37 32.039 32.669 -0.630 1
1 371 . 19 1 1 A 37 37 HIS N N 37 112.948 113.312 -0.364 1
1 372 . 19 1 1 A 38 38 TYR H H 38 9.836 8.690 1.146 1
1 373 . 19 1 1 A 38 38 TYR HA H 38 5.165 4.976 0.189 1
1 378 . 19 1 1 A 38 38 TYR C C 38 174.934 174.548 0.386 1
1 379 . 19 1 1 A 38 38 TYR CA C 38 56.698 56.336 0.362 1
1 380 . 19 1 1 A 38 38 TYR CB C 38 40.251 39.757 0.494 1
1 385 . 19 1 1 A 38 38 TYR N N 38 116.581 116.236 0.345 1
1 386 . 19 1 1 A 39 39 TRP H H 39 8.984 8.719 0.265 1
1 387 . 19 1 1 A 39 39 TRP HA H 39 5.307 4.960 0.347 1
1 396 . 19 1 1 A 39 39 TRP C C 39 173.996 175.188 -1.192 1
1 397 . 19 1 1 A 39 39 TRP CA C 39 55.798 57.109 -1.311 1
1 398 . 19 1 1 A 39 39 TRP CB C 39 31.998 29.428 2.570 1
1 404 . 19 1 1 A 39 39 TRP N N 39 124.201 128.406 -4.205 1
1 406 . 19 1 1 A 40 40 LEU H H 40 8.695 8.468 0.227 1
1 407 . 19 1 1 A 40 40 LEU HA H 40 5.636 4.713 0.923 1
1 417 . 19 1 1 A 40 40 LEU C C 40 175.416 175.195 0.221 1
1 418 . 19 1 1 A 40 40 LEU CA C 40 54.030 53.783 0.247 1
1 419 . 19 1 1 A 40 40 LEU CB C 40 44.846 44.458 0.388 1
1 423 . 19 1 1 A 40 40 LEU N N 40 132.690 129.530 3.160 1
1 424 . 19 1 1 A 41 41 THR H H 41 9.103 8.761 0.342 1
1 425 . 19 1 1 A 41 41 THR HA H 41 5.341 4.828 0.513 1
1 430 . 19 1 1 A 41 41 THR C C 41 173.042 172.710 0.332 1
1 431 . 19 1 1 A 41 41 THR CA C 41 60.118 60.338 -0.220 1
1 432 . 19 1 1 A 41 41 THR CB C 41 71.493 70.639 0.854 1
1 434 . 19 1 1 A 41 41 THR N N 41 117.923 115.499 2.424 1
1 435 . 19 1 1 A 42 42 TYR H H 42 9.073 8.670 0.403 1
1 436 . 19 1 1 A 42 42 TYR HA H 42 5.915 5.902 0.013 1
1 443 . 19 1 1 A 42 42 TYR C C 42 173.637 174.302 -0.665 1
1 444 . 19 1 1 A 42 42 TYR CA C 42 55.146 55.209 -0.063 1
1 445 . 19 1 1 A 42 42 TYR CB C 42 42.124 41.938 0.186 1
1 450 . 19 1 1 A 42 42 TYR N N 42 118.958 121.439 -2.481 1
1 451 . 19 1 1 A 43 43 ALA H H 43 8.508 8.976 -0.468 1
1 452 . 19 1 1 A 43 43 ALA HA H 43 5.099 4.806 0.293 1
1 456 . 19 1 1 A 43 43 ALA C C 43 173.859 174.197 -0.338 1
1 457 . 19 1 1 A 43 43 ALA CA C 43 50.156 50.537 -0.381 1
1 458 . 19 1 1 A 43 43 ALA CB C 43 21.455 22.425 -0.970 1
1 459 . 19 1 1 A 43 43 ALA N N 43 122.386 121.463 0.923 1
1 460 . 19 1 1 A 44 44 PRO HA H 44 4.079 4.266 -0.187 1
1 467 . 19 1 1 A 44 44 PRO C C 44 178.191 177.420 0.771 1
1 468 . 19 1 1 A 44 44 PRO CA C 44 63.194 62.003 1.191 1
1 469 . 19 1 1 A 44 44 PRO CB C 44 31.525 29.766 1.759 1
1 472 . 19 1 1 A 45 45 ALA H H 45 8.934 8.253 0.681 1
1 473 . 19 1 1 A 45 45 ALA HA H 45 3.965 3.973 -0.008 1
1 477 . 19 1 1 A 45 45 ALA C C 45 177.272 179.606 -2.334 1
1 478 . 19 1 1 A 45 45 ALA CA C 45 53.911 55.340 -1.429 1
1 479 . 19 1 1 A 45 45 ALA CB C 45 18.221 18.635 -0.414 1
1 480 . 19 1 1 A 45 45 ALA N N 45 129.632 127.907 1.725 1
1 481 . 19 1 1 A 46 46 SER H H 46 8.311 7.787 0.524 1
1 482 . 19 1 1 A 46 46 SER HA H 46 4.193 4.214 -0.021 1
1 485 . 19 1 1 A 46 46 SER C C 46 175.546 174.754 0.792 1
1 486 . 19 1 1 A 46 46 SER CA C 46 58.584 60.863 -2.279 1
1 487 . 19 1 1 A 46 46 SER CB C 46 63.543 63.618 -0.075 1
1 488 . 19 1 1 A 46 46 SER N N 46 111.878 111.852 0.026 1
1 489 . 19 1 1 A 47 47 GLY H H 47 7.743 8.129 -0.386 1
1 490 . 19 1 1 A 47 47 GLY HA2 H 47 4.203 4.016 0.187 1
1 491 . 19 1 1 A 47 47 GLY HA3 H 47 3.840 4.022 -0.182 1
1 492 . 19 1 1 A 47 47 GLY C C 47 174.463 174.669 -0.206 1
1 493 . 19 1 1 A 47 47 GLY CA C 47 45.501 45.673 -0.172 1
1 494 . 19 1 1 A 47 47 GLY N N 47 108.526 107.620 0.906 1
1 495 . 19 1 1 A 48 48 LEU H H 48 7.794 7.924 -0.130 1
1 496 . 19 1 1 A 48 48 LEU HA H 48 4.448 4.571 -0.123 1
1 506 . 19 1 1 A 48 48 LEU C C 48 176.668 175.164 1.504 1
1 507 . 19 1 1 A 48 48 LEU CA C 48 54.470 53.687 0.783 1
1 508 . 19 1 1 A 48 48 LEU CB C 48 41.445 42.371 -0.926 1
1 512 . 19 1 1 A 48 48 LEU N N 48 120.348 119.972 0.376 1
1 513 . 19 1 1 A 49 49 GLY H H 49 7.889 7.510 0.379 1
1 514 . 19 1 1 A 49 49 GLY HA2 H 49 4.266 4.056 0.210 1
1 515 . 19 1 1 A 49 49 GLY HA3 H 49 3.965 4.058 -0.093 1
1 516 . 19 1 1 A 49 49 GLY C C 49 170.653 171.054 -0.401 1
1 517 . 19 1 1 A 49 49 GLY CA C 49 44.151 45.193 -1.042 1
1 518 . 19 1 1 A 49 49 GLY N N 49 108.892 107.591 1.301 1
1 519 . 19 1 1 A 50 50 PRO HA H 50 4.483 4.582 -0.099 1
1 526 . 19 1 1 A 50 50 PRO C C 50 176.143 175.368 0.775 1
1 527 . 19 1 1 A 50 50 PRO CA C 50 62.639 62.563 0.076 1
1 528 . 19 1 1 A 50 50 PRO CB C 50 32.575 33.101 -0.526 1
1 531 . 19 1 1 A 51 51 GLU H H 51 8.463 8.604 -0.141 1
1 532 . 19 1 1 A 51 51 GLU HA H 51 4.560 4.559 0.001 1
1 537 . 19 1 1 A 51 51 GLU C C 51 175.792 175.711 0.081 1
1 538 . 19 1 1 A 51 51 GLU CA C 51 55.516 55.215 0.301 1
1 539 . 19 1 1 A 51 51 GLU CB C 51 31.305 31.080 0.225 1
1 541 . 19 1 1 A 51 51 GLU N N 51 121.175 121.051 0.124 1
1 542 . 19 1 1 A 52 52 LYS H H 52 8.180 8.238 -0.058 1
1 543 . 19 1 1 A 52 52 LYS HA H 52 4.511 4.443 0.068 1
1 552 . 19 1 1 A 52 52 LYS C C 52 174.000 175.123 -1.123 1
1 553 . 19 1 1 A 52 52 LYS CA C 52 54.952 55.627 -0.675 1
1 554 . 19 1 1 A 52 52 LYS CB C 52 36.101 33.676 2.425 1
1 558 . 19 1 1 A 52 52 LYS N N 52 125.598 127.894 -2.296 1
1 559 . 19 1 1 A 53 53 SER H H 53 8.087 8.462 -0.375 1
1 560 . 19 1 1 A 53 53 SER HA H 53 5.637 4.797 0.840 1
1 563 . 19 1 1 A 53 53 SER C C 53 173.704 172.871 0.833 1
1 564 . 19 1 1 A 53 53 SER CA C 53 56.662 57.202 -0.540 1
1 565 . 19 1 1 A 53 53 SER CB C 53 67.219 66.363 0.856 1
1 566 . 19 1 1 A 53 53 SER N N 53 112.778 115.195 -2.417 1
1 567 . 19 1 1 A 54 54 VAL H H 54 8.940 8.607 0.333 1
1 568 . 19 1 1 A 54 54 VAL HA H 54 4.314 5.051 -0.737 1
1 576 . 19 1 1 A 54 54 VAL C C 54 172.304 174.421 -2.117 1
1 577 . 19 1 1 A 54 54 VAL CA C 54 60.506 58.800 1.706 1
1 578 . 19 1 1 A 54 54 VAL CB C 54 36.121 35.716 0.405 1
1 581 . 19 1 1 A 54 54 VAL N N 54 119.961 119.491 0.470 1
1 582 . 19 1 1 A 55 55 SER H H 55 8.180 8.862 -0.682 1
1 583 . 19 1 1 A 55 55 SER HA H 55 5.461 5.560 -0.099 1
1 586 . 19 1 1 A 55 55 SER C C 55 174.870 174.113 0.757 1
1 587 . 19 1 1 A 55 55 SER CA C 55 56.065 56.069 -0.004 1
1 588 . 19 1 1 A 55 55 SER CB C 55 64.094 66.009 -1.915 1
1 589 . 19 1 1 A 55 55 SER N N 55 117.963 116.241 1.722 1
1 590 . 19 1 1 A 56 56 VAL H H 56 9.201 8.786 0.415 1
1 591 . 19 1 1 A 56 56 VAL HA H 56 4.780 4.662 0.118 1
1 599 . 19 1 1 A 56 56 VAL C C 56 173.446 174.029 -0.583 1
1 600 . 19 1 1 A 56 56 VAL CA C 56 58.760 59.104 -0.344 1
1 601 . 19 1 1 A 56 56 VAL CB C 56 35.954 35.662 0.292 1
1 604 . 19 1 1 A 56 56 VAL N N 56 127.863 122.602 5.261 1
1 605 . 19 1 1 A 57 57 PRO HA H 57 4.582 4.658 -0.076 1
1 612 . 19 1 1 A 57 57 PRO C C 57 176.776 178.543 -1.767 1
1 613 . 19 1 1 A 57 57 PRO CA C 57 64.226 63.507 0.719 1
1 614 . 19 1 1 A 57 57 PRO CB C 57 33.063 31.761 1.302 1
1 617 . 19 1 1 A 58 58 GLY H H 58 7.663 8.966 -1.303 1
1 618 . 19 1 1 A 58 58 GLY HA2 H 58 3.684 4.001 -0.317 1
1 619 . 19 1 1 A 58 58 GLY HA3 H 58 3.620 4.002 -0.382 1
1 620 . 19 1 1 A 58 58 GLY C C 58 173.755 175.533 -1.778 1
1 621 . 19 1 1 A 58 58 GLY CA C 58 46.877 47.363 -0.486 1
1 622 . 19 1 1 A 58 58 GLY N N 58 106.964 113.186 -6.222 1
1 623 . 19 1 1 A 59 59 ALA H H 59 7.900 8.036 -0.136 1
1 624 . 19 1 1 A 59 59 ALA HA H 59 4.516 4.021 0.495 1
1 628 . 19 1 1 A 59 59 ALA C C 59 178.104 177.422 0.682 1
1 629 . 19 1 1 A 59 59 ALA CA C 59 52.713 54.947 -2.234 1
1 630 . 19 1 1 A 59 59 ALA CB C 59 19.380 18.735 0.645 1
1 631 . 19 1 1 A 59 59 ALA N N 59 119.932 124.114 -4.182 1
1 632 . 19 1 1 A 60 60 ARG H H 60 8.306 7.939 0.367 1
1 633 . 19 1 1 A 60 60 ARG HA H 60 4.559 4.585 -0.026 1
1 640 . 19 1 1 A 60 60 ARG C C 60 174.842 175.291 -0.449 1
1 641 . 19 1 1 A 60 60 ARG CA C 60 55.357 54.782 0.575 1
1 642 . 19 1 1 A 60 60 ARG CB C 60 32.823 32.056 0.767 1
1 645 . 19 1 1 A 60 60 ARG N N 60 118.739 115.617 3.122 1
1 646 . 19 1 1 A 61 61 SER H H 61 8.229 8.171 0.058 1
1 647 . 19 1 1 A 61 61 SER HA H 61 3.709 4.267 -0.558 1
1 650 . 19 1 1 A 61 61 SER C C 61 170.973 172.336 -1.363 1
1 651 . 19 1 1 A 61 61 SER CA C 61 56.045 56.946 -0.901 1
1 652 . 19 1 1 A 61 61 SER CB C 61 63.329 63.570 -0.241 1
1 653 . 19 1 1 A 61 61 SER N N 61 110.956 111.845 -0.889 1
1 654 . 19 1 1 A 62 62 HIS H H 62 6.458 6.789 -0.331 1
1 655 . 19 1 1 A 62 62 HIS HA H 62 4.626 4.596 0.030 1
1 660 . 19 1 1 A 62 62 HIS C C 62 173.581 172.968 0.613 1
1 661 . 19 1 1 A 62 62 HIS CA C 62 54.494 53.166 1.328 1
1 662 . 19 1 1 A 62 62 HIS CB C 62 32.485 33.772 -1.287 1
1 665 . 19 1 1 A 62 62 HIS N N 62 113.571 116.424 -2.853 1
1 666 . 19 1 1 A 63 63 VAL H H 63 8.794 8.770 0.024 1
1 667 . 19 1 1 A 63 63 VAL HA H 63 4.325 4.548 -0.223 1
1 675 . 19 1 1 A 63 63 VAL C C 63 171.906 173.331 -1.425 1
1 676 . 19 1 1 A 63 63 VAL CA C 63 61.052 60.255 0.797 1
1 677 . 19 1 1 A 63 63 VAL CB C 63 34.800 34.314 0.486 1
1 680 . 19 1 1 A 63 63 VAL N N 63 118.122 119.048 -0.926 1
1 681 . 19 1 1 A 64 64 THR H H 64 8.316 8.753 -0.437 1
1 682 . 19 1 1 A 64 64 THR HA H 64 4.970 5.061 -0.091 1
1 687 . 19 1 1 A 64 64 THR C C 64 173.412 173.217 0.195 1
1 688 . 19 1 1 A 64 64 THR CA C 64 61.775 61.496 0.279 1
1 689 . 19 1 1 A 64 64 THR CB C 64 69.851 72.466 -2.615 1
1 691 . 19 1 1 A 64 64 THR N N 64 122.871 117.917 4.954 1
1 692 . 19 1 1 A 65 65 LEU H H 65 9.348 8.436 0.912 1
1 693 . 19 1 1 A 65 65 LEU HA H 65 4.584 4.770 -0.186 1
1 703 . 19 1 1 A 65 65 LEU C C 65 173.397 174.972 -1.575 1
1 704 . 19 1 1 A 65 65 LEU CA C 65 50.297 51.177 -0.880 1
1 705 . 19 1 1 A 65 65 LEU CB C 65 41.547 42.167 -0.620 1
1 709 . 19 1 1 A 65 65 LEU N N 65 129.778 127.596 2.182 1
1 710 . 19 1 1 A 66 66 PRO HA H 66 4.868 4.437 0.431 1
1 717 . 19 1 1 A 66 66 PRO C C 66 175.188 176.226 -1.038 1
1 718 . 19 1 1 A 66 66 PRO CA C 66 61.370 62.690 -1.320 1
1 719 . 19 1 1 A 66 66 PRO CB C 66 33.700 32.666 1.034 1
1 722 . 19 1 1 A 67 67 ASP H H 67 8.729 8.802 -0.073 1
1 723 . 19 1 1 A 67 67 ASP HA H 67 4.333 4.082 0.251 1
1 726 . 19 1 1 A 67 67 ASP C C 67 175.824 174.927 0.897 1
1 727 . 19 1 1 A 67 67 ASP CA C 67 55.181 54.718 0.463 1
1 728 . 19 1 1 A 67 67 ASP CB C 67 39.225 39.651 -0.426 1
1 729 . 19 1 1 A 67 67 ASP N N 67 113.984 116.236 -2.252 1
1 730 . 19 1 1 A 68 68 LEU H H 68 8.599 7.739 0.860 1
1 731 . 19 1 1 A 68 68 LEU HA H 68 4.414 4.661 -0.247 1
1 741 . 19 1 1 A 68 68 LEU C C 68 176.487 176.319 0.168 1
1 742 . 19 1 1 A 68 68 LEU CA C 68 53.259 53.190 0.069 1
1 743 . 19 1 1 A 68 68 LEU CB C 68 41.630 43.756 -2.126 1
1 747 . 19 1 1 A 68 68 LEU N N 68 118.102 118.797 -0.695 1
1 748 . 19 1 1 A 69 69 GLN H H 69 8.114 8.133 -0.019 1
1 749 . 19 1 1 A 69 69 GLN HA H 69 4.349 4.625 -0.276 1
1 756 . 19 1 1 A 69 69 GLN C C 69 175.669 175.450 0.219 1
1 757 . 19 1 1 A 69 69 GLN CA C 69 54.722 55.492 -0.770 1
1 758 . 19 1 1 A 69 69 GLN CB C 69 30.803 30.681 0.122 1
1 760 . 19 1 1 A 69 69 GLN N N 69 118.191 120.724 -2.533 1
1 762 . 19 1 1 A 70 70 ALA H H 70 8.240 8.703 -0.463 1
1 763 . 19 1 1 A 70 70 ALA HA H 70 4.835 4.851 -0.016 1
1 767 . 19 1 1 A 70 70 ALA C C 70 178.720 176.836 1.884 1
1 768 . 19 1 1 A 70 70 ALA CA C 70 52.501 50.197 2.304 1
1 769 . 19 1 1 A 70 70 ALA CB C 70 20.257 21.997 -1.740 1
1 770 . 19 1 1 A 70 70 ALA N N 70 124.989 120.977 4.012 1
1 771 . 19 1 1 A 71 71 ALA H H 71 8.003 8.331 -0.328 1
1 772 . 19 1 1 A 71 71 ALA HA H 71 3.974 3.848 0.126 1
1 776 . 19 1 1 A 71 71 ALA C C 71 176.118 176.014 0.104 1
1 777 . 19 1 1 A 71 71 ALA CA C 71 52.491 53.200 -0.709 1
1 778 . 19 1 1 A 71 71 ALA CB C 71 18.439 17.947 0.492 1
1 779 . 19 1 1 A 71 71 ALA N N 71 128.133 120.115 8.018 1
1 780 . 19 1 1 A 72 72 THR H H 72 8.391 8.090 0.301 1
1 781 . 19 1 1 A 72 72 THR HA H 72 4.563 4.758 -0.195 1
1 786 . 19 1 1 A 72 72 THR C C 72 172.643 174.151 -1.508 1
1 787 . 19 1 1 A 72 72 THR CA C 72 62.856 61.607 1.249 1
1 788 . 19 1 1 A 72 72 THR CB C 72 71.924 71.394 0.530 1
1 790 . 19 1 1 A 72 72 THR N N 72 114.280 111.287 2.993 1
1 791 . 19 1 1 A 73 73 LYS H H 73 8.691 8.462 0.229 1
1 792 . 19 1 1 A 73 73 LYS HA H 73 4.846 4.616 0.230 1
1 801 . 19 1 1 A 73 73 LYS C C 73 176.405 175.566 0.839 1
1 802 . 19 1 1 A 73 73 LYS CA C 73 55.992 55.829 0.163 1
1 803 . 19 1 1 A 73 73 LYS CB C 73 33.535 32.882 0.653 1
1 807 . 19 1 1 A 73 73 LYS N N 73 125.989 126.574 -0.585 1
1 808 . 19 1 1 A 74 74 TYR H H 74 9.569 8.659 0.910 1
1 809 . 19 1 1 A 74 74 TYR HA H 74 4.758 5.232 -0.474 1
1 816 . 19 1 1 A 74 74 TYR C C 74 173.567 174.987 -1.420 1
1 817 . 19 1 1 A 74 74 TYR CA C 74 58.778 56.637 2.141 1
1 818 . 19 1 1 A 74 74 TYR CB C 74 42.667 41.252 1.415 1
1 823 . 19 1 1 A 74 74 TYR N N 74 126.436 117.394 9.042 1
1 824 . 19 1 1 A 75 75 ARG H H 75 9.005 8.915 0.090 1
1 825 . 19 1 1 A 75 75 ARG HA H 75 5.053 4.548 0.505 1
1 832 . 19 1 1 A 75 75 ARG C C 75 175.042 175.159 -0.117 1
1 833 . 19 1 1 A 75 75 ARG CA C 75 55.027 56.572 -1.545 1
1 834 . 19 1 1 A 75 75 ARG CB C 75 32.284 30.611 1.673 1
1 837 . 19 1 1 A 75 75 ARG N N 75 121.560 126.169 -4.609 1
1 838 . 19 1 1 A 76 76 VAL H H 76 9.127 9.163 -0.036 1
1 839 . 19 1 1 A 76 76 VAL HA H 76 4.977 4.530 0.447 1
1 847 . 19 1 1 A 76 76 VAL C C 76 173.144 175.619 -2.475 1
1 848 . 19 1 1 A 76 76 VAL CA C 76 60.876 62.503 -1.627 1
1 849 . 19 1 1 A 76 76 VAL CB C 76 34.922 31.897 3.025 1
1 852 . 19 1 1 A 76 76 VAL N N 76 127.571 127.244 0.327 1
1 853 . 19 1 1 A 77 77 LEU H H 77 9.083 9.332 -0.249 1
1 854 . 19 1 1 A 77 77 LEU HA H 77 5.350 5.404 -0.054 1
1 864 . 19 1 1 A 77 77 LEU C C 77 176.622 175.520 1.102 1
1 865 . 19 1 1 A 77 77 LEU CA C 77 53.911 53.493 0.418 1
1 866 . 19 1 1 A 77 77 LEU CB C 77 44.959 43.034 1.925 1
1 870 . 19 1 1 A 77 77 LEU N N 77 127.310 128.797 -1.487 1
1 871 . 19 1 1 A 78 78 VAL H H 78 8.918 8.791 0.127 1
1 872 . 19 1 1 A 78 78 VAL HA H 78 4.890 4.589 0.301 1
1 880 . 19 1 1 A 78 78 VAL C C 78 174.235 175.154 -0.919 1
1 881 . 19 1 1 A 78 78 VAL CA C 78 61.193 61.168 0.025 1
1 882 . 19 1 1 A 78 78 VAL CB C 78 34.718 33.459 1.259 1
1 885 . 19 1 1 A 78 78 VAL N N 78 119.228 126.702 -7.474 1
1 886 . 19 1 1 A 79 79 SER H H 79 8.598 8.400 0.198 1
1 887 . 19 1 1 A 79 79 SER HA H 79 4.725 4.941 -0.216 1
1 890 . 19 1 1 A 79 79 SER C C 79 172.877 172.808 0.069 1
1 891 . 19 1 1 A 79 79 SER CA C 79 56.680 57.548 -0.868 1
1 892 . 19 1 1 A 79 79 SER CB C 79 65.806 66.097 -0.291 1
1 893 . 19 1 1 A 79 79 SER N N 79 119.664 122.895 -3.231 1
1 894 . 19 1 1 A 80 80 ALA H H 80 8.939 8.028 0.911 1
1 895 . 19 1 1 A 80 80 ALA HA H 80 4.325 4.061 0.264 1
1 899 . 19 1 1 A 80 80 ALA C C 80 174.050 176.541 -2.491 1
1 900 . 19 1 1 A 80 80 ALA CA C 80 51.126 51.293 -0.167 1
1 901 . 19 1 1 A 80 80 ALA CB C 80 21.990 19.213 2.777 1
1 902 . 19 1 1 A 80 80 ALA N N 80 126.283 128.248 -1.965 1
1 903 . 19 1 1 A 81 81 ILE H H 81 8.424 8.276 0.148 1
1 904 . 19 1 1 A 81 81 ILE HA H 81 4.116 4.668 -0.552 1
1 914 . 19 1 1 A 81 81 ILE C C 81 173.862 174.340 -0.478 1
1 915 . 19 1 1 A 81 81 ILE CA C 81 61.175 60.479 0.696 1
1 916 . 19 1 1 A 81 81 ILE CB C 81 36.015 38.647 -2.632 1
1 920 . 19 1 1 A 81 81 ILE N N 81 123.033 122.805 0.228 1
1 921 . 19 1 1 A 82 82 TYR H H 82 8.377 8.997 -0.620 1
1 922 . 19 1 1 A 82 82 TYR HA H 82 4.681 4.899 -0.218 1
1 929 . 19 1 1 A 82 82 TYR C C 82 176.146 176.373 -0.227 1
1 930 . 19 1 1 A 82 82 TYR CA C 82 56.309 56.539 -0.230 1
1 931 . 19 1 1 A 82 82 TYR CB C 82 40.734 42.346 -1.612 1
1 936 . 19 1 1 A 82 82 TYR N N 82 125.168 125.730 -0.562 1
1 937 . 19 1 1 A 83 83 ALA H H 83 9.437 9.090 0.347 1
1 938 . 19 1 1 A 83 83 ALA HA H 83 4.059 4.085 -0.026 1
1 942 . 19 1 1 A 83 83 ALA C C 83 179.312 179.975 -0.663 1
1 943 . 19 1 1 A 83 83 ALA CA C 83 55.729 55.558 0.171 1
1 944 . 19 1 1 A 83 83 ALA CB C 83 17.613 18.316 -0.703 1
1 945 . 19 1 1 A 83 83 ALA N N 83 125.234 125.135 0.099 1
1 946 . 19 1 1 A 84 84 ALA H H 84 7.823 7.856 -0.033 1
1 947 . 19 1 1 A 84 84 ALA HA H 84 4.434 4.159 0.275 1
1 951 . 19 1 1 A 84 84 ALA C C 84 176.808 177.546 -0.738 1
1 952 . 19 1 1 A 84 84 ALA CA C 84 51.936 54.681 -2.745 1
1 953 . 19 1 1 A 84 84 ALA CB C 84 19.514 19.851 -0.337 1
1 954 . 19 1 1 A 84 84 ALA N N 84 114.587 120.608 -6.021 1
1 955 . 19 1 1 A 85 85 GLY H H 85 7.366 7.395 -0.029 1
1 956 . 19 1 1 A 85 85 GLY HA2 H 85 4.362 4.020 0.342 1
1 957 . 19 1 1 A 85 85 GLY HA3 H 85 3.835 4.023 -0.188 1
1 958 . 19 1 1 A 85 85 GLY C C 85 171.544 171.807 -0.263 1
1 959 . 19 1 1 A 85 85 GLY CA C 85 44.576 45.741 -1.165 1
1 960 . 19 1 1 A 85 85 GLY N N 85 105.342 101.932 3.410 1
1 961 . 19 1 1 A 86 86 ARG H H 86 8.626 8.480 0.146 1
1 962 . 19 1 1 A 86 86 ARG HA H 86 5.263 5.347 -0.084 1
1 969 . 19 1 1 A 86 86 ARG C C 86 176.925 175.890 1.035 1
1 970 . 19 1 1 A 86 86 ARG CA C 86 54.863 55.180 -0.317 1
1 971 . 19 1 1 A 86 86 ARG CB C 86 33.491 32.326 1.165 1
1 974 . 19 1 1 A 86 86 ARG N N 86 118.147 117.200 0.947 1
1 975 . 19 1 1 A 87 87 SER H H 87 9.496 9.081 0.415 1
1 976 . 19 1 1 A 87 87 SER HA H 87 4.747 4.633 0.114 1
1 979 . 19 1 1 A 87 87 SER C C 87 174.538 174.526 0.012 1
1 980 . 19 1 1 A 87 87 SER CA C 87 58.284 57.866 0.418 1
1 981 . 19 1 1 A 87 87 SER CB C 87 67.271 65.445 1.826 1
1 982 . 19 1 1 A 87 87 SER N N 87 119.835 114.411 5.424 1
1 983 . 19 1 1 A 88 88 GLU H H 88 9.058 8.530 0.528 1
1 984 . 19 1 1 A 88 88 GLU HA H 88 4.342 4.195 0.147 1
1 989 . 19 1 1 A 88 88 GLU C C 88 176.157 175.784 0.373 1
1 990 . 19 1 1 A 88 88 GLU CA C 88 56.874 56.246 0.628 1
1 991 . 19 1 1 A 88 88 GLU CB C 88 30.350 30.227 0.123 1
1 993 . 19 1 1 A 88 88 GLU N N 88 119.700 120.135 -0.435 1
1 994 . 19 1 1 A 89 89 ALA H H 89 8.674 8.483 0.191 1
1 995 . 19 1 1 A 89 89 ALA HA H 89 4.918 5.443 -0.525 1
1 999 . 19 1 1 A 89 89 ALA C C 89 178.887 176.282 2.605 1
1 1000 . 19 1 1 A 89 89 ALA CA C 89 51.340 50.092 1.248 1
1 1001 . 19 1 1 A 89 89 ALA CB C 89 20.130 21.748 -1.618 1
1 1002 . 19 1 1 A 89 89 ALA N N 89 125.485 122.804 2.681 1
1 1003 . 19 1 1 A 90 90 VAL H H 90 8.621 8.752 -0.131 1
1 1004 . 19 1 1 A 90 90 VAL HA H 90 4.562 4.885 -0.323 1
1 1012 . 19 1 1 A 90 90 VAL C C 90 174.251 175.411 -1.160 1
1 1013 . 19 1 1 A 90 90 VAL CA C 90 60.365 60.513 -0.148 1
1 1014 . 19 1 1 A 90 90 VAL CB C 90 33.770 33.581 0.189 1
1 1017 . 19 1 1 A 90 90 VAL N N 90 119.440 118.392 1.048 1
1 1018 . 19 1 1 A 91 91 SER H H 91 8.373 8.892 -0.519 1
1 1019 . 19 1 1 A 91 91 SER HA H 91 5.877 5.262 0.615 1
1 1022 . 19 1 1 A 91 91 SER C C 91 174.245 173.758 0.487 1
1 1023 . 19 1 1 A 91 91 SER CA C 91 56.109 56.941 -0.832 1
1 1024 . 19 1 1 A 91 91 SER CB C 91 67.620 64.870 2.750 1
1 1025 . 19 1 1 A 91 91 SER N N 91 116.084 121.601 -5.517 1
1 1026 . 19 1 1 A 92 92 ALA H H 92 8.900 8.843 0.057 1
1 1027 . 19 1 1 A 92 92 ALA HA H 92 4.681 4.950 -0.269 1
1 1031 . 19 1 1 A 92 92 ALA C C 92 175.187 175.982 -0.795 1
1 1032 . 19 1 1 A 92 92 ALA CA C 92 51.990 51.755 0.235 1
1 1033 . 19 1 1 A 92 92 ALA CB C 92 23.056 22.932 0.124 1
1 1034 . 19 1 1 A 92 92 ALA N N 92 123.885 122.403 1.482 1
1 1035 . 19 1 1 A 93 93 THR H H 93 8.466 8.708 -0.242 1
1 1036 . 19 1 1 A 93 93 THR HA H 93 5.623 5.252 0.371 1
1 1041 . 19 1 1 A 93 93 THR C C 93 174.366 174.211 0.155 1
1 1042 . 19 1 1 A 93 93 THR CA C 93 60.154 60.479 -0.325 1
1 1043 . 19 1 1 A 93 93 THR CB C 93 71.657 70.324 1.333 1
1 1045 . 19 1 1 A 93 93 THR N N 93 112.591 114.053 -1.462 1
1 1046 . 19 1 1 A 94 94 GLY H H 94 8.657 8.889 -0.232 1
1 1047 . 19 1 1 A 94 94 GLY HA2 H 94 4.483 4.258 0.225 1
1 1048 . 19 1 1 A 94 94 GLY HA3 H 94 3.625 4.269 -0.644 1
1 1049 . 19 1 1 A 94 94 GLY C C 94 170.518 173.350 -2.832 1
1 1050 . 19 1 1 A 94 94 GLY CA C 94 44.849 45.006 -0.157 1
1 1051 . 19 1 1 A 94 94 GLY N N 94 111.375 111.021 0.354 1
1 1052 . 19 1 1 A 95 95 GLN H H 95 8.667 8.744 -0.077 1
1 1053 . 19 1 1 A 95 95 GLN HA H 95 5.491 4.321 1.170 1
1 1060 . 19 1 1 A 95 95 GLN C C 95 176.226 175.327 0.899 1
1 1061 . 19 1 1 A 95 95 GLN CA C 95 54.000 56.597 -2.597 1
1 1062 . 19 1 1 A 95 95 GLN CB C 95 32.822 29.247 3.575 1
1 1064 . 19 1 1 A 95 95 GLN N N 95 120.893 126.307 -5.414 1
1 1066 . 19 1 1 A 96 96 THR H H 96 8.609 8.631 -0.022 1
1 1067 . 19 1 1 A 96 96 THR HA H 96 4.384 4.574 -0.190 1
1 1072 . 19 1 1 A 96 96 THR C C 96 175.194 174.655 0.539 1
1 1073 . 19 1 1 A 96 96 THR CA C 96 60.783 61.315 -0.532 1
1 1074 . 19 1 1 A 96 96 THR CB C 96 70.198 71.597 -1.399 1
1 1076 . 19 1 1 A 96 96 THR N N 96 115.777 115.884 -0.107 1
1 1077 . 19 1 1 A 97 97 ALA H H 97 8.009 8.266 -0.257 1
1 1078 . 19 1 1 A 97 97 ALA HA H 97 4.186 4.496 -0.310 1
1 1082 . 19 1 1 A 97 97 ALA C C 97 176.174 177.239 -1.065 1
1 1083 . 19 1 1 A 97 97 ALA CA C 97 52.077 51.332 0.745 1
1 1084 . 19 1 1 A 97 97 ALA CB C 97 19.001 20.103 -1.102 1
1 1085 . 19 1 1 A 97 97 ALA N N 97 120.015 122.551 -2.536 1
1 1086 . 19 1 1 A 98 98 CYS H H 98 8.239 8.325 -0.086 1
1 1087 . 19 1 1 A 98 98 CYS HA H 98 4.705 5.072 -0.367 1
1 1090 . 19 1 1 A 98 98 CYS C C 98 173.203 174.822 -1.619 1
1 1091 . 19 1 1 A 98 98 CYS CA C 98 56.644 56.291 0.353 1
1 1092 . 19 1 1 A 98 98 CYS CB C 98 27.357 29.414 -2.057 1
1 1093 . 19 1 1 A 98 98 CYS N N 98 116.874 116.697 0.177 1
1 1094 . 19 1 1 A 99 99 PRO HA H 99 4.421 4.294 0.127 1
1 1101 . 19 1 1 A 99 99 PRO CA C 99 63.337 65.124 -1.787 1
1 1102 . 19 1 1 A 99 99 PRO CB C 99 32.132 31.955 0.177 1
1 1105 . 19 1 1 A 100 100 SER H H 100 8.463 7.956 0.507 1
1 1106 . 19 1 1 A 100 100 SER HA H 100 4.470 4.207 0.263 1
1 1109 . 19 1 1 A 100 100 SER CA C 100 58.453 60.918 -2.465 1
1 1110 . 19 1 1 A 100 100 SER CB C 100 64.023 63.409 0.614 1
1 1111 . 19 1 1 A 100 100 SER N N 100 116.426 112.070 4.356 1
1 1112 . 19 1 1 A 101 101 GLY H H 101 8.237 7.818 0.419 1
1 1113 . 19 1 1 A 101 101 GLY HA2 H 101 4.165 4.068 0.097 1
1 1114 . 19 1 1 A 101 101 GLY HA3 H 101 4.100 4.068 0.032 1
1 1115 . 19 1 1 A 101 101 GLY CA C 101 44.647 44.982 -0.335 1
1 1116 . 19 1 1 A 101 101 GLY N N 101 110.731 108.024 2.707 1
1 1117 . 19 1 1 A 102 102 PRO HA H 102 4.484 4.477 0.007 1
1 1123 . 19 1 1 A 102 102 PRO CA C 102 63.069 64.266 -1.197 1
1 1124 . 19 1 1 A 102 102 PRO CB C 102 32.189 32.059 0.130 1
1 1127 . 19 1 1 A 103 103 SER H H 103 8.540 7.968 0.572 1
1 1 . 20 1 1 A 5 5 SER N N 5 119.122 115.730 3.392 1
1 2 . 20 1 1 A 6 6 SER N N 6 123.945 120.197 3.748 1
1 3 . 20 1 1 A 7 7 GLY HA2 H 7 3.813 3.914 -0.101 1
1 4 . 20 1 1 A 7 7 GLY HA3 H 7 3.813 3.939 -0.126 1
1 5 . 20 1 1 A 7 7 GLY CA C 7 45.375 45.925 -0.550 1
1 6 . 20 1 1 A 8 8 ARG H H 8 7.999 7.855 0.144 1
1 7 . 20 1 1 A 8 8 ARG HA H 8 3.712 3.510 0.202 1
1 14 . 20 1 1 A 8 8 ARG CA C 8 54.185 55.397 -1.212 1
1 15 . 20 1 1 A 8 8 ARG CB C 8 29.555 31.057 -1.502 1
1 18 . 20 1 1 A 8 8 ARG N N 8 121.209 119.593 1.616 1
1 19 . 20 1 1 A 9 9 SER H H 9 7.810 8.563 -0.753 1
1 20 . 20 1 1 A 9 9 SER HA H 9 4.725 4.937 -0.212 1
1 23 . 20 1 1 A 9 9 SER CA C 9 58.455 54.847 3.608 1
1 24 . 20 1 1 A 9 9 SER CB C 9 62.966 65.775 -2.809 1
1 25 . 20 1 1 A 9 9 SER N N 9 118.072 119.373 -1.301 1
1 26 . 20 1 1 A 10 10 PRO HA H 10 5.182 4.991 0.191 1
1 33 . 20 1 1 A 10 10 PRO CA C 10 61.759 61.363 0.396 1
1 34 . 20 1 1 A 10 10 PRO CB C 10 30.280 31.646 -1.366 1
1 37 . 20 1 1 A 11 11 PRO HA H 11 4.567 4.716 -0.149 1
1 44 . 20 1 1 A 11 11 PRO C C 11 173.556 176.049 -2.493 1
1 45 . 20 1 1 A 11 11 PRO CA C 11 62.674 62.704 -0.030 1
1 46 . 20 1 1 A 11 11 PRO CB C 11 33.026 31.660 1.366 1
1 49 . 20 1 1 A 12 12 SER H H 12 8.427 8.666 -0.239 1
1 50 . 20 1 1 A 12 12 SER HA H 12 4.890 5.021 -0.131 1
1 53 . 20 1 1 A 12 12 SER C C 12 173.115 173.790 -0.675 1
1 54 . 20 1 1 A 12 12 SER CA C 12 56.556 57.200 -0.644 1
1 55 . 20 1 1 A 12 12 SER CB C 12 66.882 66.092 0.790 1
1 56 . 20 1 1 A 12 12 SER N N 12 111.345 118.157 -6.812 1
1 57 . 20 1 1 A 13 13 ASN H H 13 8.973 8.802 0.171 1
1 58 . 20 1 1 A 13 13 ASN HA H 13 4.318 4.280 0.038 1
1 63 . 20 1 1 A 13 13 ASN C C 13 173.850 174.703 -0.853 1
1 64 . 20 1 1 A 13 13 ASN CA C 13 53.928 54.171 -0.243 1
1 65 . 20 1 1 A 13 13 ASN CB C 13 37.365 36.948 0.417 1
1 66 . 20 1 1 A 13 13 ASN N N 13 115.970 116.890 -0.920 1
1 68 . 20 1 1 A 14 14 LEU H H 14 8.223 8.232 -0.009 1
1 69 . 20 1 1 A 14 14 LEU HA H 14 4.857 4.364 0.493 1
1 79 . 20 1 1 A 14 14 LEU C C 14 176.725 177.139 -0.414 1
1 80 . 20 1 1 A 14 14 LEU CA C 14 56.115 56.194 -0.079 1
1 81 . 20 1 1 A 14 14 LEU CB C 14 42.621 41.853 0.768 1
1 85 . 20 1 1 A 14 14 LEU N N 14 119.681 119.985 -0.304 1
1 86 . 20 1 1 A 15 15 ALA H H 15 9.364 8.373 0.991 1
1 87 . 20 1 1 A 15 15 ALA HA H 15 4.736 5.056 -0.320 1
1 91 . 20 1 1 A 15 15 ALA C C 15 175.056 175.500 -0.444 1
1 92 . 20 1 1 A 15 15 ALA CA C 15 51.496 50.927 0.569 1
1 93 . 20 1 1 A 15 15 ALA CB C 15 22.285 20.865 1.420 1
1 94 . 20 1 1 A 15 15 ALA N N 15 130.359 125.696 4.663 1
1 95 . 20 1 1 A 16 16 LEU H H 16 8.448 9.069 -0.621 1
1 96 . 20 1 1 A 16 16 LEU HA H 16 5.385 5.027 0.358 1
1 106 . 20 1 1 A 16 16 LEU C C 16 175.868 175.663 0.205 1
1 107 . 20 1 1 A 16 16 LEU CA C 16 53.224 53.878 -0.654 1
1 108 . 20 1 1 A 16 16 LEU CB C 16 45.061 41.842 3.219 1
1 112 . 20 1 1 A 16 16 LEU N N 16 120.470 124.157 -3.687 1
1 113 . 20 1 1 A 17 17 ALA H H 17 8.737 9.400 -0.663 1
1 114 . 20 1 1 A 17 17 ALA HA H 17 4.620 5.346 -0.726 1
1 118 . 20 1 1 A 17 17 ALA C C 17 175.371 175.186 0.185 1
1 119 . 20 1 1 A 17 17 ALA CA C 17 51.249 50.204 1.045 1
1 120 . 20 1 1 A 17 17 ALA CB C 17 22.570 21.267 1.303 1
1 121 . 20 1 1 A 17 17 ALA N N 17 124.938 128.747 -3.809 1
1 122 . 20 1 1 A 18 18 SER H H 18 8.675 8.788 -0.113 1
1 123 . 20 1 1 A 18 18 SER HA H 18 5.021 4.710 0.311 1
1 126 . 20 1 1 A 18 18 SER C C 18 174.678 175.235 -0.557 1
1 127 . 20 1 1 A 18 18 SER CA C 18 57.244 56.525 0.719 1
1 128 . 20 1 1 A 18 18 SER CB C 18 64.200 64.377 -0.177 1
1 129 . 20 1 1 A 18 18 SER N N 18 113.933 118.974 -5.041 1
1 130 . 20 1 1 A 19 19 GLU H H 19 9.743 8.830 0.913 1
1 131 . 20 1 1 A 19 19 GLU HA H 19 4.466 4.601 -0.135 1
1 136 . 20 1 1 A 19 19 GLU C C 19 176.368 176.391 -0.023 1
1 137 . 20 1 1 A 19 19 GLU CA C 19 56.295 56.365 -0.070 1
1 138 . 20 1 1 A 19 19 GLU CB C 19 31.532 31.657 -0.125 1
1 140 . 20 1 1 A 19 19 GLU N N 19 127.234 123.464 3.770 1
1 141 . 20 1 1 A 20 20 THR H H 20 7.759 7.189 0.570 1
1 142 . 20 1 1 A 20 20 THR HA H 20 4.935 4.670 0.265 1
1 147 . 20 1 1 A 20 20 THR C C 20 171.770 173.859 -2.089 1
1 148 . 20 1 1 A 20 20 THR CA C 20 58.337 58.307 0.030 1
1 149 . 20 1 1 A 20 20 THR CB C 20 69.869 71.782 -1.913 1
1 151 . 20 1 1 A 20 20 THR N N 20 109.600 113.880 -4.280 1
1 152 . 20 1 1 A 21 21 PRO HA H 21 4.587 4.517 0.070 1
1 159 . 20 1 1 A 21 21 PRO C C 21 173.647 176.778 -3.131 1
1 160 . 20 1 1 A 21 21 PRO CA C 21 64.332 64.104 0.228 1
1 161 . 20 1 1 A 21 21 PRO CB C 21 32.380 31.448 0.932 1
1 164 . 20 1 1 A 22 22 ASP H H 22 7.420 8.366 -0.946 1
1 165 . 20 1 1 A 22 22 ASP HA H 22 4.648 5.066 -0.418 1
1 168 . 20 1 1 A 22 22 ASP C C 22 175.838 175.802 0.036 1
1 169 . 20 1 1 A 22 22 ASP CA C 22 51.037 53.619 -2.582 1
1 170 . 20 1 1 A 22 22 ASP CB C 22 42.177 41.765 0.412 1
1 171 . 20 1 1 A 22 22 ASP N N 22 107.201 116.600 -9.399 1
1 172 . 20 1 1 A 23 23 SER H H 23 7.729 7.592 0.137 1
1 173 . 20 1 1 A 23 23 SER HA H 23 5.474 5.088 0.386 1
1 176 . 20 1 1 A 23 23 SER C C 23 171.887 172.328 -0.441 1
1 177 . 20 1 1 A 23 23 SER CA C 23 57.481 57.489 -0.008 1
1 178 . 20 1 1 A 23 23 SER CB C 23 68.168 66.934 1.234 1
1 179 . 20 1 1 A 23 23 SER N N 23 112.046 114.176 -2.130 1
1 180 . 20 1 1 A 24 24 LEU H H 24 7.884 8.200 -0.316 1
1 181 . 20 1 1 A 24 24 LEU HA H 24 4.769 4.754 0.015 1
1 191 . 20 1 1 A 24 24 LEU C C 24 174.542 174.452 0.090 1
1 192 . 20 1 1 A 24 24 LEU CA C 24 53.576 54.112 -0.536 1
1 193 . 20 1 1 A 24 24 LEU CB C 24 47.616 45.522 2.094 1
1 197 . 20 1 1 A 24 24 LEU N N 24 119.324 123.983 -4.659 1
1 198 . 20 1 1 A 25 25 GLN H H 25 9.356 9.096 0.260 1
1 199 . 20 1 1 A 25 25 GLN HA H 25 4.747 4.567 0.180 1
1 206 . 20 1 1 A 25 25 GLN C C 25 174.824 174.837 -0.013 1
1 207 . 20 1 1 A 25 25 GLN CA C 25 55.533 55.849 -0.316 1
1 208 . 20 1 1 A 25 25 GLN CB C 25 29.759 29.994 -0.235 1
1 210 . 20 1 1 A 25 25 GLN N N 25 124.019 127.900 -3.881 1
1 212 . 20 1 1 A 26 26 VAL H H 26 9.020 8.112 0.908 1
1 213 . 20 1 1 A 26 26 VAL HA H 26 4.824 4.893 -0.069 1
1 221 . 20 1 1 A 26 26 VAL C C 26 174.556 173.915 0.641 1
1 222 . 20 1 1 A 26 26 VAL CA C 26 60.629 60.110 0.519 1
1 223 . 20 1 1 A 26 26 VAL CB C 26 33.355 35.118 -1.763 1
1 226 . 20 1 1 A 26 26 VAL N N 26 127.649 125.046 2.603 1
1 227 . 20 1 1 A 27 27 SER H H 27 9.056 8.707 0.349 1
1 228 . 20 1 1 A 27 27 SER HA H 27 4.857 4.951 -0.094 1
1 231 . 20 1 1 A 27 27 SER C C 27 172.328 173.241 -0.913 1
1 232 . 20 1 1 A 27 27 SER CA C 27 57.138 55.797 1.341 1
1 233 . 20 1 1 A 27 27 SER CB C 27 66.864 66.230 0.634 1
1 234 . 20 1 1 A 27 27 SER N N 27 119.826 122.604 -2.778 1
1 235 . 20 1 1 A 28 28 TRP H H 28 7.584 7.919 -0.335 1
1 236 . 20 1 1 A 28 28 TRP HA H 28 5.022 5.313 -0.291 1
1 245 . 20 1 1 A 28 28 TRP C C 28 174.055 172.909 1.146 1
1 246 . 20 1 1 A 28 28 TRP CA C 28 56.609 55.652 0.957 1
1 247 . 20 1 1 A 28 28 TRP CB C 28 29.814 31.304 -1.490 1
1 253 . 20 1 1 A 28 28 TRP N N 28 115.280 118.004 -2.724 1
1 255 . 20 1 1 A 29 29 THR H H 29 9.293 8.788 0.505 1
1 256 . 20 1 1 A 29 29 THR HA H 29 4.865 4.801 0.064 1
1 261 . 20 1 1 A 29 29 THR C C 29 173.203 173.676 -0.473 1
1 262 . 20 1 1 A 29 29 THR CA C 29 59.889 59.519 0.370 1
1 263 . 20 1 1 A 29 29 THR CB C 29 69.774 69.733 0.041 1
1 265 . 20 1 1 A 29 29 THR N N 29 117.164 115.582 1.582 1
1 266 . 20 1 1 A 30 30 PRO HA H 30 4.809 4.809 0.000 1
1 273 . 20 1 1 A 30 30 PRO CA C 30 61.701 62.050 -0.349 1
1 274 . 20 1 1 A 30 30 PRO CB C 30 32.114 32.606 -0.492 1
1 277 . 20 1 1 A 31 31 PRO HA H 31 4.703 4.735 -0.032 1
1 284 . 20 1 1 A 31 31 PRO C C 31 175.384 176.677 -1.293 1
1 285 . 20 1 1 A 31 31 PRO CA C 31 61.793 62.460 -0.667 1
1 286 . 20 1 1 A 31 31 PRO CB C 31 32.822 33.492 -0.670 1
1 289 . 20 1 1 A 32 32 LEU H H 32 8.312 8.754 -0.442 1
1 290 . 20 1 1 A 32 32 LEU HA H 32 4.333 4.464 -0.131 1
1 300 . 20 1 1 A 32 32 LEU C C 32 177.793 178.340 -0.547 1
1 301 . 20 1 1 A 32 32 LEU CA C 32 55.851 57.184 -1.333 1
1 302 . 20 1 1 A 32 32 LEU CB C 32 41.968 42.906 -0.938 1
1 306 . 20 1 1 A 32 32 LEU N N 32 119.044 120.686 -1.642 1
1 307 . 20 1 1 A 33 33 GLY H H 33 8.147 7.946 0.201 1
1 308 . 20 1 1 A 33 33 GLY HA2 H 33 4.210 4.006 0.204 1
1 309 . 20 1 1 A 33 33 GLY HA3 H 33 4.051 4.008 0.043 1
1 310 . 20 1 1 A 33 33 GLY C C 33 172.971 173.942 -0.971 1
1 311 . 20 1 1 A 33 33 GLY CA C 33 44.216 45.696 -1.480 1
1 312 . 20 1 1 A 33 33 GLY N N 33 107.917 106.783 1.134 1
1 313 . 20 1 1 A 34 34 ARG H H 34 8.671 8.360 0.311 1
1 314 . 20 1 1 A 34 34 ARG HA H 34 4.405 4.318 0.087 1
1 321 . 20 1 1 A 34 34 ARG C C 34 174.517 175.303 -0.786 1
1 322 . 20 1 1 A 34 34 ARG CA C 34 55.339 57.140 -1.801 1
1 323 . 20 1 1 A 34 34 ARG CB C 34 29.137 30.831 -1.694 1
1 326 . 20 1 1 A 34 34 ARG N N 34 121.152 123.510 -2.358 1
1 327 . 20 1 1 A 35 35 VAL H H 35 7.825 8.651 -0.826 1
1 328 . 20 1 1 A 35 35 VAL HA H 35 3.060 4.556 -1.496 1
1 336 . 20 1 1 A 35 35 VAL C C 35 176.613 175.279 1.334 1
1 337 . 20 1 1 A 35 35 VAL CA C 35 62.505 60.175 2.330 1
1 338 . 20 1 1 A 35 35 VAL CB C 35 32.534 33.377 -0.843 1
1 341 . 20 1 1 A 35 35 VAL N N 35 126.379 127.973 -1.594 1
1 342 . 20 1 1 A 36 36 LEU H H 36 8.874 8.165 0.709 1
1 343 . 20 1 1 A 36 36 LEU HA H 36 4.176 4.004 0.172 1
1 353 . 20 1 1 A 36 36 LEU C C 36 177.540 176.833 0.707 1
1 354 . 20 1 1 A 36 36 LEU CA C 36 57.050 58.084 -1.034 1
1 355 . 20 1 1 A 36 36 LEU CB C 36 41.723 42.270 -0.547 1
1 359 . 20 1 1 A 36 36 LEU N N 36 127.956 131.196 -3.240 1
1 360 . 20 1 1 A 37 37 HIS H H 37 7.231 7.532 -0.301 1
1 361 . 20 1 1 A 37 37 HIS HA H 37 4.615 5.059 -0.444 1
1 366 . 20 1 1 A 37 37 HIS C C 37 171.558 172.078 -0.520 1
1 367 . 20 1 1 A 37 37 HIS CA C 37 55.005 53.768 1.237 1
1 368 . 20 1 1 A 37 37 HIS CB C 37 32.039 33.215 -1.176 1
1 371 . 20 1 1 A 37 37 HIS N N 37 112.948 112.346 0.602 1
1 372 . 20 1 1 A 38 38 TYR H H 38 9.836 9.060 0.776 1
1 373 . 20 1 1 A 38 38 TYR HA H 38 5.165 4.822 0.343 1
1 378 . 20 1 1 A 38 38 TYR C C 38 174.934 174.972 -0.038 1
1 379 . 20 1 1 A 38 38 TYR CA C 38 56.698 56.760 -0.062 1
1 380 . 20 1 1 A 38 38 TYR CB C 38 40.251 38.407 1.844 1
1 385 . 20 1 1 A 38 38 TYR N N 38 116.581 118.131 -1.550 1
1 386 . 20 1 1 A 39 39 TRP H H 39 8.984 8.623 0.361 1
1 387 . 20 1 1 A 39 39 TRP HA H 39 5.307 4.838 0.469 1
1 396 . 20 1 1 A 39 39 TRP C C 39 173.996 175.139 -1.143 1
1 397 . 20 1 1 A 39 39 TRP CA C 39 55.798 58.059 -2.261 1
1 398 . 20 1 1 A 39 39 TRP CB C 39 31.998 29.508 2.490 1
1 404 . 20 1 1 A 39 39 TRP N N 39 124.201 128.286 -4.085 1
1 406 . 20 1 1 A 40 40 LEU H H 40 8.695 8.449 0.246 1
1 407 . 20 1 1 A 40 40 LEU HA H 40 5.636 4.891 0.745 1
1 417 . 20 1 1 A 40 40 LEU C C 40 175.416 174.849 0.567 1
1 418 . 20 1 1 A 40 40 LEU CA C 40 54.030 53.614 0.416 1
1 419 . 20 1 1 A 40 40 LEU CB C 40 44.846 44.577 0.269 1
1 423 . 20 1 1 A 40 40 LEU N N 40 132.690 129.747 2.943 1
1 424 . 20 1 1 A 41 41 THR H H 41 9.103 9.116 -0.013 1
1 425 . 20 1 1 A 41 41 THR HA H 41 5.341 4.909 0.432 1
1 430 . 20 1 1 A 41 41 THR C C 41 173.042 173.263 -0.221 1
1 431 . 20 1 1 A 41 41 THR CA C 41 60.118 60.247 -0.129 1
1 432 . 20 1 1 A 41 41 THR CB C 41 71.493 69.942 1.551 1
1 434 . 20 1 1 A 41 41 THR N N 41 117.923 116.522 1.401 1
1 435 . 20 1 1 A 42 42 TYR H H 42 9.073 8.797 0.276 1
1 436 . 20 1 1 A 42 42 TYR HA H 42 5.915 5.433 0.482 1
1 443 . 20 1 1 A 42 42 TYR C C 42 173.637 174.748 -1.111 1
1 444 . 20 1 1 A 42 42 TYR CA C 42 55.146 55.910 -0.764 1
1 445 . 20 1 1 A 42 42 TYR CB C 42 42.124 40.833 1.291 1
1 450 . 20 1 1 A 42 42 TYR N N 42 118.958 123.174 -4.216 1
1 451 . 20 1 1 A 43 43 ALA H H 43 8.508 8.560 -0.052 1
1 452 . 20 1 1 A 43 43 ALA HA H 43 5.099 4.816 0.283 1
1 456 . 20 1 1 A 43 43 ALA C C 43 173.859 174.118 -0.259 1
1 457 . 20 1 1 A 43 43 ALA CA C 43 50.156 50.486 -0.330 1
1 458 . 20 1 1 A 43 43 ALA CB C 43 21.455 22.191 -0.736 1
1 459 . 20 1 1 A 43 43 ALA N N 43 122.386 121.598 0.788 1
1 460 . 20 1 1 A 44 44 PRO HA H 44 4.079 4.516 -0.437 1
1 467 . 20 1 1 A 44 44 PRO C C 44 178.191 177.763 0.428 1
1 468 . 20 1 1 A 44 44 PRO CA C 44 63.194 62.483 0.711 1
1 469 . 20 1 1 A 44 44 PRO CB C 44 31.525 31.624 -0.099 1
1 472 . 20 1 1 A 45 45 ALA H H 45 8.934 8.573 0.361 1
1 473 . 20 1 1 A 45 45 ALA HA H 45 3.965 3.985 -0.020 1
1 477 . 20 1 1 A 45 45 ALA C C 45 177.272 179.122 -1.850 1
1 478 . 20 1 1 A 45 45 ALA CA C 45 53.911 55.303 -1.392 1
1 479 . 20 1 1 A 45 45 ALA CB C 45 18.221 18.748 -0.527 1
1 480 . 20 1 1 A 45 45 ALA N N 45 129.632 128.001 1.631 1
1 481 . 20 1 1 A 46 46 SER H H 46 8.311 7.803 0.508 1
1 482 . 20 1 1 A 46 46 SER HA H 46 4.193 4.814 -0.621 1
1 485 . 20 1 1 A 46 46 SER C C 46 175.546 175.420 0.126 1
1 486 . 20 1 1 A 46 46 SER CA C 46 58.584 58.442 0.142 1
1 487 . 20 1 1 A 46 46 SER CB C 46 63.543 63.889 -0.346 1
1 488 . 20 1 1 A 46 46 SER N N 46 111.878 113.783 -1.905 1
1 489 . 20 1 1 A 47 47 GLY H H 47 7.743 8.258 -0.515 1
1 490 . 20 1 1 A 47 47 GLY HA2 H 47 4.203 3.793 0.410 1
1 491 . 20 1 1 A 47 47 GLY HA3 H 47 3.840 3.796 0.044 1
1 492 . 20 1 1 A 47 47 GLY C C 47 174.463 174.562 -0.099 1
1 493 . 20 1 1 A 47 47 GLY CA C 47 45.501 47.231 -1.730 1
1 494 . 20 1 1 A 47 47 GLY N N 47 108.526 109.883 -1.357 1
1 495 . 20 1 1 A 48 48 LEU H H 48 7.794 7.954 -0.160 1
1 496 . 20 1 1 A 48 48 LEU HA H 48 4.448 3.827 0.621 1
1 506 . 20 1 1 A 48 48 LEU C C 48 176.668 176.092 0.576 1
1 507 . 20 1 1 A 48 48 LEU CA C 48 54.470 56.393 -1.923 1
1 508 . 20 1 1 A 48 48 LEU CB C 48 41.445 40.243 1.202 1
1 512 . 20 1 1 A 48 48 LEU N N 48 120.348 116.947 3.401 1
1 513 . 20 1 1 A 49 49 GLY H H 49 7.889 7.841 0.048 1
1 514 . 20 1 1 A 49 49 GLY HA2 H 49 4.266 4.189 0.077 1
1 515 . 20 1 1 A 49 49 GLY HA3 H 49 3.965 4.192 -0.227 1
1 516 . 20 1 1 A 49 49 GLY C C 49 170.653 171.889 -1.236 1
1 517 . 20 1 1 A 49 49 GLY CA C 49 44.151 45.727 -1.576 1
1 518 . 20 1 1 A 49 49 GLY N N 49 108.892 106.071 2.821 1
1 519 . 20 1 1 A 50 50 PRO HA H 50 4.483 4.599 -0.116 1
1 526 . 20 1 1 A 50 50 PRO C C 50 176.143 175.886 0.257 1
1 527 . 20 1 1 A 50 50 PRO CA C 50 62.639 62.763 -0.124 1
1 528 . 20 1 1 A 50 50 PRO CB C 50 32.575 33.217 -0.642 1
1 531 . 20 1 1 A 51 51 GLU H H 51 8.463 8.680 -0.217 1
1 532 . 20 1 1 A 51 51 GLU HA H 51 4.560 5.026 -0.466 1
1 537 . 20 1 1 A 51 51 GLU C C 51 175.792 174.449 1.343 1
1 538 . 20 1 1 A 51 51 GLU CA C 51 55.516 54.289 1.227 1
1 539 . 20 1 1 A 51 51 GLU CB C 51 31.305 33.778 -2.473 1
1 541 . 20 1 1 A 51 51 GLU N N 51 121.175 116.302 4.873 1
1 542 . 20 1 1 A 52 52 LYS H H 52 8.180 7.867 0.313 1
1 543 . 20 1 1 A 52 52 LYS HA H 52 4.511 4.989 -0.478 1
1 552 . 20 1 1 A 52 52 LYS C C 52 174.000 174.765 -0.765 1
1 553 . 20 1 1 A 52 52 LYS CA C 52 54.952 54.261 0.691 1
1 554 . 20 1 1 A 52 52 LYS CB C 52 36.101 35.956 0.145 1
1 558 . 20 1 1 A 52 52 LYS N N 52 125.598 119.448 6.150 1
1 559 . 20 1 1 A 53 53 SER H H 53 8.087 8.388 -0.301 1
1 560 . 20 1 1 A 53 53 SER HA H 53 5.637 4.893 0.744 1
1 563 . 20 1 1 A 53 53 SER C C 53 173.704 172.975 0.729 1
1 564 . 20 1 1 A 53 53 SER CA C 53 56.662 57.023 -0.361 1
1 565 . 20 1 1 A 53 53 SER CB C 53 67.219 65.868 1.351 1
1 566 . 20 1 1 A 53 53 SER N N 53 112.778 113.847 -1.069 1
1 567 . 20 1 1 A 54 54 VAL H H 54 8.940 8.738 0.202 1
1 568 . 20 1 1 A 54 54 VAL HA H 54 4.314 4.903 -0.589 1
1 576 . 20 1 1 A 54 54 VAL C C 54 172.304 174.195 -1.891 1
1 577 . 20 1 1 A 54 54 VAL CA C 54 60.506 58.940 1.566 1
1 578 . 20 1 1 A 54 54 VAL CB C 54 36.121 36.012 0.109 1
1 581 . 20 1 1 A 54 54 VAL N N 54 119.961 117.486 2.475 1
1 582 . 20 1 1 A 55 55 SER H H 55 8.180 8.777 -0.597 1
1 583 . 20 1 1 A 55 55 SER HA H 55 5.461 5.314 0.147 1
1 586 . 20 1 1 A 55 55 SER C C 55 174.870 174.279 0.591 1
1 587 . 20 1 1 A 55 55 SER CA C 55 56.065 56.776 -0.711 1
1 588 . 20 1 1 A 55 55 SER CB C 55 64.094 64.917 -0.823 1
1 589 . 20 1 1 A 55 55 SER N N 55 117.963 117.575 0.388 1
1 590 . 20 1 1 A 56 56 VAL H H 56 9.201 8.747 0.454 1
1 591 . 20 1 1 A 56 56 VAL HA H 56 4.780 4.659 0.121 1
1 599 . 20 1 1 A 56 56 VAL C C 56 173.446 174.145 -0.699 1
1 600 . 20 1 1 A 56 56 VAL CA C 56 58.760 59.135 -0.375 1
1 601 . 20 1 1 A 56 56 VAL CB C 56 35.954 35.668 0.286 1
1 604 . 20 1 1 A 56 56 VAL N N 56 127.863 124.261 3.602 1
1 605 . 20 1 1 A 57 57 PRO HA H 57 4.582 4.722 -0.140 1
1 612 . 20 1 1 A 57 57 PRO C C 57 176.776 178.601 -1.825 1
1 613 . 20 1 1 A 57 57 PRO CA C 57 64.226 63.406 0.820 1
1 614 . 20 1 1 A 57 57 PRO CB C 57 33.063 31.809 1.254 1
1 617 . 20 1 1 A 58 58 GLY H H 58 7.663 8.574 -0.911 1
1 618 . 20 1 1 A 58 58 GLY HA2 H 58 3.684 3.859 -0.175 1
1 619 . 20 1 1 A 58 58 GLY HA3 H 58 3.620 4.064 -0.444 1
1 620 . 20 1 1 A 58 58 GLY C C 58 173.755 175.651 -1.896 1
1 621 . 20 1 1 A 58 58 GLY CA C 58 46.877 47.352 -0.475 1
1 622 . 20 1 1 A 58 58 GLY N N 58 106.964 113.636 -6.672 1
1 623 . 20 1 1 A 59 59 ALA H H 59 7.900 8.105 -0.205 1
1 624 . 20 1 1 A 59 59 ALA HA H 59 4.516 4.096 0.420 1
1 628 . 20 1 1 A 59 59 ALA C C 59 178.104 177.646 0.458 1
1 629 . 20 1 1 A 59 59 ALA CA C 59 52.713 54.986 -2.273 1
1 630 . 20 1 1 A 59 59 ALA CB C 59 19.380 18.852 0.528 1
1 631 . 20 1 1 A 59 59 ALA N N 59 119.932 124.219 -4.287 1
1 632 . 20 1 1 A 60 60 ARG H H 60 8.306 8.190 0.116 1
1 633 . 20 1 1 A 60 60 ARG HA H 60 4.559 4.916 -0.357 1
1 640 . 20 1 1 A 60 60 ARG C C 60 174.842 176.275 -1.433 1
1 641 . 20 1 1 A 60 60 ARG CA C 60 55.357 55.203 0.154 1
1 642 . 20 1 1 A 60 60 ARG CB C 60 32.823 32.449 0.374 1
1 645 . 20 1 1 A 60 60 ARG N N 60 118.739 116.213 2.526 1
1 646 . 20 1 1 A 61 61 SER H H 61 8.229 8.664 -0.435 1
1 647 . 20 1 1 A 61 61 SER HA H 61 3.709 4.506 -0.797 1
1 650 . 20 1 1 A 61 61 SER C C 61 170.973 172.431 -1.458 1
1 651 . 20 1 1 A 61 61 SER CA C 61 56.045 57.367 -1.322 1
1 652 . 20 1 1 A 61 61 SER CB C 61 63.329 63.449 -0.120 1
1 653 . 20 1 1 A 61 61 SER N N 61 110.956 116.102 -5.146 1
1 654 . 20 1 1 A 62 62 HIS H H 62 6.458 7.196 -0.738 1
1 655 . 20 1 1 A 62 62 HIS HA H 62 4.626 3.826 0.800 1
1 660 . 20 1 1 A 62 62 HIS C C 62 173.581 173.212 0.369 1
1 661 . 20 1 1 A 62 62 HIS CA C 62 54.494 53.850 0.644 1
1 662 . 20 1 1 A 62 62 HIS CB C 62 32.485 31.549 0.936 1
1 665 . 20 1 1 A 62 62 HIS N N 62 113.571 116.197 -2.626 1
1 666 . 20 1 1 A 63 63 VAL H H 63 8.794 8.212 0.582 1
1 667 . 20 1 1 A 63 63 VAL HA H 63 4.325 4.302 0.023 1
1 675 . 20 1 1 A 63 63 VAL C C 63 171.906 174.096 -2.190 1
1 676 . 20 1 1 A 63 63 VAL CA C 63 61.052 60.410 0.642 1
1 677 . 20 1 1 A 63 63 VAL CB C 63 34.800 34.426 0.374 1
1 680 . 20 1 1 A 63 63 VAL N N 63 118.122 118.925 -0.803 1
1 681 . 20 1 1 A 64 64 THR H H 64 8.316 8.725 -0.409 1
1 682 . 20 1 1 A 64 64 THR HA H 64 4.970 4.879 0.091 1
1 687 . 20 1 1 A 64 64 THR C C 64 173.412 173.274 0.138 1
1 688 . 20 1 1 A 64 64 THR CA C 64 61.775 61.677 0.098 1
1 689 . 20 1 1 A 64 64 THR CB C 64 69.851 70.257 -0.406 1
1 691 . 20 1 1 A 64 64 THR N N 64 122.871 122.569 0.302 1
1 692 . 20 1 1 A 65 65 LEU H H 65 9.348 8.401 0.947 1
1 693 . 20 1 1 A 65 65 LEU HA H 65 4.584 4.722 -0.138 1
1 703 . 20 1 1 A 65 65 LEU C C 65 173.397 174.920 -1.523 1
1 704 . 20 1 1 A 65 65 LEU CA C 65 50.297 51.115 -0.818 1
1 705 . 20 1 1 A 65 65 LEU CB C 65 41.547 42.013 -0.466 1
1 709 . 20 1 1 A 65 65 LEU N N 65 129.778 128.002 1.776 1
1 710 . 20 1 1 A 66 66 PRO HA H 66 4.868 4.479 0.389 1
1 717 . 20 1 1 A 66 66 PRO C C 66 175.188 176.235 -1.047 1
1 718 . 20 1 1 A 66 66 PRO CA C 66 61.370 62.655 -1.285 1
1 719 . 20 1 1 A 66 66 PRO CB C 66 33.700 32.694 1.006 1
1 722 . 20 1 1 A 67 67 ASP H H 67 8.729 8.821 -0.092 1
1 723 . 20 1 1 A 67 67 ASP HA H 67 4.333 4.105 0.228 1
1 726 . 20 1 1 A 67 67 ASP C C 67 175.824 174.960 0.864 1
1 727 . 20 1 1 A 67 67 ASP CA C 67 55.181 54.750 0.431 1
1 728 . 20 1 1 A 67 67 ASP CB C 67 39.225 39.596 -0.371 1
1 729 . 20 1 1 A 67 67 ASP N N 67 113.984 116.190 -2.206 1
1 730 . 20 1 1 A 68 68 LEU H H 68 8.599 7.454 1.145 1
1 731 . 20 1 1 A 68 68 LEU HA H 68 4.414 4.822 -0.408 1
1 741 . 20 1 1 A 68 68 LEU C C 68 176.487 176.343 0.144 1
1 742 . 20 1 1 A 68 68 LEU CA C 68 53.259 53.254 0.005 1
1 743 . 20 1 1 A 68 68 LEU CB C 68 41.630 44.282 -2.652 1
1 747 . 20 1 1 A 68 68 LEU N N 68 118.102 118.716 -0.614 1
1 748 . 20 1 1 A 69 69 GLN H H 69 8.114 8.915 -0.801 1
1 749 . 20 1 1 A 69 69 GLN HA H 69 4.349 4.788 -0.439 1
1 756 . 20 1 1 A 69 69 GLN C C 69 175.669 174.626 1.043 1
1 757 . 20 1 1 A 69 69 GLN CA C 69 54.722 54.454 0.268 1
1 758 . 20 1 1 A 69 69 GLN CB C 69 30.803 31.291 -0.488 1
1 760 . 20 1 1 A 69 69 GLN N N 69 118.191 120.196 -2.005 1
1 762 . 20 1 1 A 70 70 ALA H H 70 8.240 8.740 -0.500 1
1 763 . 20 1 1 A 70 70 ALA HA H 70 4.835 4.908 -0.073 1
1 767 . 20 1 1 A 70 70 ALA C C 70 178.720 176.999 1.721 1
1 768 . 20 1 1 A 70 70 ALA CA C 70 52.501 50.402 2.099 1
1 769 . 20 1 1 A 70 70 ALA CB C 70 20.257 21.870 -1.613 1
1 770 . 20 1 1 A 70 70 ALA N N 70 124.989 121.351 3.638 1
1 771 . 20 1 1 A 71 71 ALA H H 71 8.003 8.481 -0.478 1
1 772 . 20 1 1 A 71 71 ALA HA H 71 3.974 3.863 0.111 1
1 776 . 20 1 1 A 71 71 ALA C C 71 176.118 175.949 0.169 1
1 777 . 20 1 1 A 71 71 ALA CA C 71 52.491 53.094 -0.603 1
1 778 . 20 1 1 A 71 71 ALA CB C 71 18.439 17.781 0.658 1
1 779 . 20 1 1 A 71 71 ALA N N 71 128.133 120.620 7.513 1
1 780 . 20 1 1 A 72 72 THR H H 72 8.391 7.614 0.777 1
1 781 . 20 1 1 A 72 72 THR HA H 72 4.563 4.831 -0.268 1
1 786 . 20 1 1 A 72 72 THR C C 72 172.643 173.634 -0.991 1
1 787 . 20 1 1 A 72 72 THR CA C 72 62.856 61.191 1.665 1
1 788 . 20 1 1 A 72 72 THR CB C 72 71.924 72.294 -0.370 1
1 790 . 20 1 1 A 72 72 THR N N 72 114.280 110.942 3.338 1
1 791 . 20 1 1 A 73 73 LYS H H 73 8.691 8.601 0.090 1
1 792 . 20 1 1 A 73 73 LYS HA H 73 4.846 4.712 0.134 1
1 801 . 20 1 1 A 73 73 LYS C C 73 176.405 175.488 0.917 1
1 802 . 20 1 1 A 73 73 LYS CA C 73 55.992 56.442 -0.450 1
1 803 . 20 1 1 A 73 73 LYS CB C 73 33.535 33.811 -0.276 1
1 807 . 20 1 1 A 73 73 LYS N N 73 125.989 126.810 -0.821 1
1 808 . 20 1 1 A 74 74 TYR H H 74 9.569 8.954 0.615 1
1 809 . 20 1 1 A 74 74 TYR HA H 74 4.758 5.105 -0.347 1
1 816 . 20 1 1 A 74 74 TYR C C 74 173.567 175.089 -1.522 1
1 817 . 20 1 1 A 74 74 TYR CA C 74 58.778 56.487 2.291 1
1 818 . 20 1 1 A 74 74 TYR CB C 74 42.667 40.005 2.662 1
1 823 . 20 1 1 A 74 74 TYR N N 74 126.436 120.071 6.365 1
1 824 . 20 1 1 A 75 75 ARG H H 75 9.005 8.788 0.217 1
1 825 . 20 1 1 A 75 75 ARG HA H 75 5.053 4.551 0.502 1
1 832 . 20 1 1 A 75 75 ARG C C 75 175.042 175.218 -0.176 1
1 833 . 20 1 1 A 75 75 ARG CA C 75 55.027 56.619 -1.592 1
1 834 . 20 1 1 A 75 75 ARG CB C 75 32.284 30.633 1.651 1
1 837 . 20 1 1 A 75 75 ARG N N 75 121.560 126.570 -5.010 1
1 838 . 20 1 1 A 76 76 VAL H H 76 9.127 9.121 0.006 1
1 839 . 20 1 1 A 76 76 VAL HA H 76 4.977 4.399 0.578 1
1 847 . 20 1 1 A 76 76 VAL C C 76 173.144 175.656 -2.512 1
1 848 . 20 1 1 A 76 76 VAL CA C 76 60.876 62.806 -1.930 1
1 849 . 20 1 1 A 76 76 VAL CB C 76 34.922 31.720 3.202 1
1 852 . 20 1 1 A 76 76 VAL N N 76 127.571 127.092 0.479 1
1 853 . 20 1 1 A 77 77 LEU H H 77 9.083 8.852 0.231 1
1 854 . 20 1 1 A 77 77 LEU HA H 77 5.350 5.358 -0.008 1
1 864 . 20 1 1 A 77 77 LEU C C 77 176.622 175.414 1.208 1
1 865 . 20 1 1 A 77 77 LEU CA C 77 53.911 53.469 0.442 1
1 866 . 20 1 1 A 77 77 LEU CB C 77 44.959 43.311 1.648 1
1 870 . 20 1 1 A 77 77 LEU N N 77 127.310 128.843 -1.533 1
1 871 . 20 1 1 A 78 78 VAL H H 78 8.918 8.709 0.209 1
1 872 . 20 1 1 A 78 78 VAL HA H 78 4.890 4.715 0.175 1
1 880 . 20 1 1 A 78 78 VAL C C 78 174.235 175.160 -0.925 1
1 881 . 20 1 1 A 78 78 VAL CA C 78 61.193 60.996 0.197 1
1 882 . 20 1 1 A 78 78 VAL CB C 78 34.718 33.465 1.253 1
1 885 . 20 1 1 A 78 78 VAL N N 78 119.228 126.666 -7.438 1
1 886 . 20 1 1 A 79 79 SER H H 79 8.598 8.730 -0.132 1
1 887 . 20 1 1 A 79 79 SER HA H 79 4.725 5.029 -0.304 1
1 890 . 20 1 1 A 79 79 SER C C 79 172.877 173.116 -0.239 1
1 891 . 20 1 1 A 79 79 SER CA C 79 56.680 57.574 -0.894 1
1 892 . 20 1 1 A 79 79 SER CB C 79 65.806 66.048 -0.242 1
1 893 . 20 1 1 A 79 79 SER N N 79 119.664 124.021 -4.357 1
1 894 . 20 1 1 A 80 80 ALA H H 80 8.939 8.153 0.786 1
1 895 . 20 1 1 A 80 80 ALA HA H 80 4.325 4.361 -0.036 1
1 899 . 20 1 1 A 80 80 ALA C C 80 174.050 176.964 -2.914 1
1 900 . 20 1 1 A 80 80 ALA CA C 80 51.126 51.901 -0.775 1
1 901 . 20 1 1 A 80 80 ALA CB C 80 21.990 19.072 2.918 1
1 902 . 20 1 1 A 80 80 ALA N N 80 126.283 128.301 -2.018 1
1 903 . 20 1 1 A 81 81 ILE H H 81 8.424 8.288 0.136 1
1 904 . 20 1 1 A 81 81 ILE HA H 81 4.116 4.502 -0.386 1
1 914 . 20 1 1 A 81 81 ILE C C 81 173.862 174.237 -0.375 1
1 915 . 20 1 1 A 81 81 ILE CA C 81 61.175 60.134 1.041 1
1 916 . 20 1 1 A 81 81 ILE CB C 81 36.015 37.918 -1.903 1
1 920 . 20 1 1 A 81 81 ILE N N 81 123.033 122.335 0.698 1
1 921 . 20 1 1 A 82 82 TYR H H 82 8.377 8.979 -0.602 1
1 922 . 20 1 1 A 82 82 TYR HA H 82 4.681 4.893 -0.212 1
1 929 . 20 1 1 A 82 82 TYR C C 82 176.146 176.093 0.053 1
1 930 . 20 1 1 A 82 82 TYR CA C 82 56.309 56.579 -0.270 1
1 931 . 20 1 1 A 82 82 TYR CB C 82 40.734 42.968 -2.234 1
1 936 . 20 1 1 A 82 82 TYR N N 82 125.168 124.253 0.915 1
1 937 . 20 1 1 A 83 83 ALA H H 83 9.437 9.070 0.367 1
1 938 . 20 1 1 A 83 83 ALA HA H 83 4.059 4.089 -0.030 1
1 942 . 20 1 1 A 83 83 ALA C C 83 179.312 179.766 -0.454 1
1 943 . 20 1 1 A 83 83 ALA CA C 83 55.729 55.592 0.137 1
1 944 . 20 1 1 A 83 83 ALA CB C 83 17.613 18.404 -0.791 1
1 945 . 20 1 1 A 83 83 ALA N N 83 125.234 125.693 -0.459 1
1 946 . 20 1 1 A 84 84 ALA H H 84 7.823 7.915 -0.092 1
1 947 . 20 1 1 A 84 84 ALA HA H 84 4.434 4.102 0.332 1
1 951 . 20 1 1 A 84 84 ALA C C 84 176.808 177.674 -0.866 1
1 952 . 20 1 1 A 84 84 ALA CA C 84 51.936 54.895 -2.959 1
1 953 . 20 1 1 A 84 84 ALA CB C 84 19.514 19.681 -0.167 1
1 954 . 20 1 1 A 84 84 ALA N N 84 114.587 120.401 -5.814 1
1 955 . 20 1 1 A 85 85 GLY H H 85 7.366 7.499 -0.133 1
1 956 . 20 1 1 A 85 85 GLY HA2 H 85 4.362 4.022 0.340 1
1 957 . 20 1 1 A 85 85 GLY HA3 H 85 3.835 4.035 -0.200 1
1 958 . 20 1 1 A 85 85 GLY C C 85 171.544 172.038 -0.494 1
1 959 . 20 1 1 A 85 85 GLY CA C 85 44.576 46.022 -1.446 1
1 960 . 20 1 1 A 85 85 GLY N N 85 105.342 102.263 3.079 1
1 961 . 20 1 1 A 86 86 ARG H H 86 8.626 8.591 0.035 1
1 962 . 20 1 1 A 86 86 ARG HA H 86 5.263 5.406 -0.143 1
1 969 . 20 1 1 A 86 86 ARG C C 86 176.925 175.645 1.280 1
1 970 . 20 1 1 A 86 86 ARG CA C 86 54.863 54.408 0.455 1
1 971 . 20 1 1 A 86 86 ARG CB C 86 33.491 33.381 0.110 1
1 974 . 20 1 1 A 86 86 ARG N N 86 118.147 118.250 -0.103 1
1 975 . 20 1 1 A 87 87 SER H H 87 9.496 9.138 0.358 1
1 976 . 20 1 1 A 87 87 SER HA H 87 4.747 4.610 0.137 1
1 979 . 20 1 1 A 87 87 SER C C 87 174.538 174.395 0.143 1
1 980 . 20 1 1 A 87 87 SER CA C 87 58.284 57.978 0.306 1
1 981 . 20 1 1 A 87 87 SER CB C 87 67.271 65.299 1.972 1
1 982 . 20 1 1 A 87 87 SER N N 87 119.835 115.224 4.611 1
1 983 . 20 1 1 A 88 88 GLU H H 88 9.058 8.582 0.476 1
1 984 . 20 1 1 A 88 88 GLU HA H 88 4.342 4.239 0.103 1
1 989 . 20 1 1 A 88 88 GLU C C 88 176.157 175.759 0.398 1
1 990 . 20 1 1 A 88 88 GLU CA C 88 56.874 56.015 0.859 1
1 991 . 20 1 1 A 88 88 GLU CB C 88 30.350 30.271 0.079 1
1 993 . 20 1 1 A 88 88 GLU N N 88 119.700 120.225 -0.525 1
1 994 . 20 1 1 A 89 89 ALA H H 89 8.674 8.511 0.163 1
1 995 . 20 1 1 A 89 89 ALA HA H 89 4.918 5.316 -0.398 1
1 999 . 20 1 1 A 89 89 ALA C C 89 178.887 176.151 2.736 1
1 1000 . 20 1 1 A 89 89 ALA CA C 89 51.340 50.477 0.863 1
1 1001 . 20 1 1 A 89 89 ALA CB C 89 20.130 21.551 -1.421 1
1 1002 . 20 1 1 A 89 89 ALA N N 89 125.485 122.395 3.090 1
1 1003 . 20 1 1 A 90 90 VAL H H 90 8.621 8.381 0.240 1
1 1004 . 20 1 1 A 90 90 VAL HA H 90 4.562 4.850 -0.288 1
1 1012 . 20 1 1 A 90 90 VAL C C 90 174.251 175.810 -1.559 1
1 1013 . 20 1 1 A 90 90 VAL CA C 90 60.365 60.773 -0.408 1
1 1014 . 20 1 1 A 90 90 VAL CB C 90 33.770 33.163 0.607 1
1 1017 . 20 1 1 A 90 90 VAL N N 90 119.440 120.254 -0.814 1
1 1018 . 20 1 1 A 91 91 SER H H 91 8.373 8.765 -0.392 1
1 1019 . 20 1 1 A 91 91 SER HA H 91 5.877 5.318 0.559 1
1 1022 . 20 1 1 A 91 91 SER C C 91 174.245 173.749 0.496 1
1 1023 . 20 1 1 A 91 91 SER CA C 91 56.109 57.189 -1.080 1
1 1024 . 20 1 1 A 91 91 SER CB C 91 67.620 65.118 2.502 1
1 1025 . 20 1 1 A 91 91 SER N N 91 116.084 120.093 -4.009 1
1 1026 . 20 1 1 A 92 92 ALA H H 92 8.900 8.801 0.099 1
1 1027 . 20 1 1 A 92 92 ALA HA H 92 4.681 4.897 -0.216 1
1 1031 . 20 1 1 A 92 92 ALA C C 92 175.187 175.895 -0.708 1
1 1032 . 20 1 1 A 92 92 ALA CA C 92 51.990 51.962 0.028 1
1 1033 . 20 1 1 A 92 92 ALA CB C 92 23.056 22.590 0.466 1
1 1034 . 20 1 1 A 92 92 ALA N N 92 123.885 121.577 2.308 1
1 1035 . 20 1 1 A 93 93 THR H H 93 8.466 8.683 -0.217 1
1 1036 . 20 1 1 A 93 93 THR HA H 93 5.623 5.239 0.384 1
1 1041 . 20 1 1 A 93 93 THR C C 93 174.366 174.226 0.140 1
1 1042 . 20 1 1 A 93 93 THR CA C 93 60.154 60.666 -0.512 1
1 1043 . 20 1 1 A 93 93 THR CB C 93 71.657 70.242 1.415 1
1 1045 . 20 1 1 A 93 93 THR N N 93 112.591 115.007 -2.416 1
1 1046 . 20 1 1 A 94 94 GLY H H 94 8.657 8.929 -0.272 1
1 1047 . 20 1 1 A 94 94 GLY HA2 H 94 4.483 4.257 0.226 1
1 1048 . 20 1 1 A 94 94 GLY HA3 H 94 3.625 4.264 -0.639 1
1 1049 . 20 1 1 A 94 94 GLY C C 94 170.518 173.267 -2.749 1
1 1050 . 20 1 1 A 94 94 GLY CA C 94 44.849 44.980 -0.131 1
1 1051 . 20 1 1 A 94 94 GLY N N 94 111.375 111.599 -0.224 1
1 1052 . 20 1 1 A 95 95 GLN H H 95 8.667 8.657 0.010 1
1 1053 . 20 1 1 A 95 95 GLN HA H 95 5.491 4.398 1.093 1
1 1060 . 20 1 1 A 95 95 GLN C C 95 176.226 175.340 0.886 1
1 1061 . 20 1 1 A 95 95 GLN CA C 95 54.000 56.515 -2.515 1
1 1062 . 20 1 1 A 95 95 GLN CB C 95 32.822 29.264 3.558 1
1 1064 . 20 1 1 A 95 95 GLN N N 95 120.893 126.314 -5.421 1
1 1066 . 20 1 1 A 96 96 THR H H 96 8.609 8.175 0.434 1
1 1067 . 20 1 1 A 96 96 THR HA H 96 4.384 4.565 -0.181 1
1 1072 . 20 1 1 A 96 96 THR C C 96 175.194 174.304 0.890 1
1 1073 . 20 1 1 A 96 96 THR CA C 96 60.783 61.361 -0.578 1
1 1074 . 20 1 1 A 96 96 THR CB C 96 70.198 71.394 -1.196 1
1 1076 . 20 1 1 A 96 96 THR N N 96 115.777 116.068 -0.291 1
1 1077 . 20 1 1 A 97 97 ALA H H 97 8.009 8.086 -0.077 1
1 1078 . 20 1 1 A 97 97 ALA HA H 97 4.186 4.661 -0.475 1
1 1082 . 20 1 1 A 97 97 ALA C C 97 176.174 177.367 -1.193 1
1 1083 . 20 1 1 A 97 97 ALA CA C 97 52.077 51.068 1.009 1
1 1084 . 20 1 1 A 97 97 ALA CB C 97 19.001 19.782 -0.781 1
1 1085 . 20 1 1 A 97 97 ALA N N 97 120.015 123.295 -3.280 1
1 1086 . 20 1 1 A 98 98 CYS H H 98 8.239 8.750 -0.511 1
1 1087 . 20 1 1 A 98 98 CYS HA H 98 4.705 4.538 0.167 1
1 1090 . 20 1 1 A 98 98 CYS C C 98 173.203 174.810 -1.607 1
1 1091 . 20 1 1 A 98 98 CYS CA C 98 56.644 58.752 -2.108 1
1 1092 . 20 1 1 A 98 98 CYS CB C 98 27.357 27.338 0.019 1
1 1093 . 20 1 1 A 98 98 CYS N N 98 116.874 123.190 -6.316 1
1 1094 . 20 1 1 A 99 99 PRO HA H 99 4.421 4.510 -0.089 1
1 1101 . 20 1 1 A 99 99 PRO CA C 99 63.337 64.101 -0.764 1
1 1102 . 20 1 1 A 99 99 PRO CB C 99 32.132 32.196 -0.064 1
1 1105 . 20 1 1 A 100 100 SER H H 100 8.463 7.902 0.561 1
1 1106 . 20 1 1 A 100 100 SER HA H 100 4.470 4.192 0.278 1
1 1109 . 20 1 1 A 100 100 SER CA C 100 58.453 61.089 -2.636 1
1 1110 . 20 1 1 A 100 100 SER CB C 100 64.023 63.390 0.633 1
1 1111 . 20 1 1 A 100 100 SER N N 100 116.426 112.697 3.729 1
1 1112 . 20 1 1 A 101 101 GLY H H 101 8.237 7.264 0.973 1
1 1113 . 20 1 1 A 101 101 GLY HA2 H 101 4.165 4.056 0.109 1
1 1114 . 20 1 1 A 101 101 GLY HA3 H 101 4.100 4.057 0.043 1
1 1115 . 20 1 1 A 101 101 GLY CA C 101 44.647 45.436 -0.789 1
1 1116 . 20 1 1 A 101 101 GLY N N 101 110.731 105.859 4.872 1
1 1117 . 20 1 1 A 102 102 PRO HA H 102 4.484 4.540 -0.056 1
1 1123 . 20 1 1 A 102 102 PRO CA C 102 63.069 63.968 -0.899 1
1 1124 . 20 1 1 A 102 102 PRO CB C 102 32.189 31.519 0.670 1
1 1127 . 20 1 1 A 103 103 SER H H 103 8.540 8.064 0.476 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 87 1.117 1
2 1 1 1 "RMS(OBS, PRED)" CA 96 1.068 1
3 1 1 1 "RMS(OBS, PRED)" CB 88 1.352 1
4 1 1 1 "RMS(OBS, PRED)" H 85 0.466 1
5 1 1 1 "RMS(OBS, PRED)" HA 104 0.357 1
6 1 1 1 "RMS(OBS, PRED)" N 86 3.336 1
7 1 2 1 "RMS(OBS, PRED)" C 87 1.159 1
8 1 2 1 "RMS(OBS, PRED)" CA 96 1.093 1
9 1 2 1 "RMS(OBS, PRED)" CB 88 1.531 1
10 1 2 1 "RMS(OBS, PRED)" H 85 0.452 1
11 1 2 1 "RMS(OBS, PRED)" HA 104 0.362 1
12 1 2 1 "RMS(OBS, PRED)" N 86 3.453 1
13 1 3 1 "RMS(OBS, PRED)" C 87 1.224 1
14 1 3 1 "RMS(OBS, PRED)" CA 96 1.078 1
15 1 3 1 "RMS(OBS, PRED)" CB 88 1.400 1
16 1 3 1 "RMS(OBS, PRED)" H 85 0.500 1
17 1 3 1 "RMS(OBS, PRED)" HA 104 0.361 1
18 1 3 1 "RMS(OBS, PRED)" N 86 3.658 1
19 1 4 1 "RMS(OBS, PRED)" C 87 1.222 1
20 1 4 1 "RMS(OBS, PRED)" CA 96 1.104 1
21 1 4 1 "RMS(OBS, PRED)" CB 88 1.443 1
22 1 4 1 "RMS(OBS, PRED)" H 85 0.500 1
23 1 4 1 "RMS(OBS, PRED)" HA 104 0.356 1
24 1 4 1 "RMS(OBS, PRED)" N 86 3.563 1
25 1 5 1 "RMS(OBS, PRED)" C 87 1.231 1
26 1 5 1 "RMS(OBS, PRED)" CA 96 1.099 1
27 1 5 1 "RMS(OBS, PRED)" CB 88 1.332 1
28 1 5 1 "RMS(OBS, PRED)" H 85 0.513 1
29 1 5 1 "RMS(OBS, PRED)" HA 104 0.359 1
30 1 5 1 "RMS(OBS, PRED)" N 86 3.752 1
31 1 6 1 "RMS(OBS, PRED)" C 87 1.256 1
32 1 6 1 "RMS(OBS, PRED)" CA 96 1.055 1
33 1 6 1 "RMS(OBS, PRED)" CB 88 1.492 1
34 1 6 1 "RMS(OBS, PRED)" H 85 0.492 1
35 1 6 1 "RMS(OBS, PRED)" HA 104 0.369 1
36 1 6 1 "RMS(OBS, PRED)" N 86 3.734 1
37 1 7 1 "RMS(OBS, PRED)" C 87 1.130 1
38 1 7 1 "RMS(OBS, PRED)" CA 96 1.148 1
39 1 7 1 "RMS(OBS, PRED)" CB 88 1.341 1
40 1 7 1 "RMS(OBS, PRED)" H 85 0.493 1
41 1 7 1 "RMS(OBS, PRED)" HA 104 0.366 1
42 1 7 1 "RMS(OBS, PRED)" N 86 3.527 1
43 1 8 1 "RMS(OBS, PRED)" C 87 1.205 1
44 1 8 1 "RMS(OBS, PRED)" CA 96 1.143 1
45 1 8 1 "RMS(OBS, PRED)" CB 88 1.412 1
46 1 8 1 "RMS(OBS, PRED)" H 85 0.503 1
47 1 8 1 "RMS(OBS, PRED)" HA 104 0.390 1
48 1 8 1 "RMS(OBS, PRED)" N 86 3.523 1
49 1 9 1 "RMS(OBS, PRED)" C 87 1.176 1
50 1 9 1 "RMS(OBS, PRED)" CA 96 1.071 1
51 1 9 1 "RMS(OBS, PRED)" CB 88 1.427 1
52 1 9 1 "RMS(OBS, PRED)" H 85 0.508 1
53 1 9 1 "RMS(OBS, PRED)" HA 104 0.358 1
54 1 9 1 "RMS(OBS, PRED)" N 86 3.619 1
55 1 10 1 "RMS(OBS, PRED)" C 87 1.138 1
56 1 10 1 "RMS(OBS, PRED)" CA 96 1.070 1
57 1 10 1 "RMS(OBS, PRED)" CB 88 1.485 1
58 1 10 1 "RMS(OBS, PRED)" H 85 0.465 1
59 1 10 1 "RMS(OBS, PRED)" HA 104 0.349 1
60 1 10 1 "RMS(OBS, PRED)" N 86 3.500 1
61 1 11 1 "RMS(OBS, PRED)" C 87 1.182 1
62 1 11 1 "RMS(OBS, PRED)" CA 96 1.144 1
63 1 11 1 "RMS(OBS, PRED)" CB 88 1.424 1
64 1 11 1 "RMS(OBS, PRED)" H 85 0.463 1
65 1 11 1 "RMS(OBS, PRED)" HA 104 0.358 1
66 1 11 1 "RMS(OBS, PRED)" N 86 3.442 1
67 1 12 1 "RMS(OBS, PRED)" C 87 1.171 1
68 1 12 1 "RMS(OBS, PRED)" CA 96 1.099 1
69 1 12 1 "RMS(OBS, PRED)" CB 88 1.374 1
70 1 12 1 "RMS(OBS, PRED)" H 85 0.492 1
71 1 12 1 "RMS(OBS, PRED)" HA 104 0.350 1
72 1 12 1 "RMS(OBS, PRED)" N 86 3.482 1
73 1 13 1 "RMS(OBS, PRED)" C 87 1.215 1
74 1 13 1 "RMS(OBS, PRED)" CA 96 1.168 1
75 1 13 1 "RMS(OBS, PRED)" CB 88 1.314 1
76 1 13 1 "RMS(OBS, PRED)" H 85 0.488 1
77 1 13 1 "RMS(OBS, PRED)" HA 104 0.369 1
78 1 13 1 "RMS(OBS, PRED)" N 86 3.567 1
79 1 14 1 "RMS(OBS, PRED)" C 87 1.148 1
80 1 14 1 "RMS(OBS, PRED)" CA 96 1.188 1
81 1 14 1 "RMS(OBS, PRED)" CB 88 1.416 1
82 1 14 1 "RMS(OBS, PRED)" H 85 0.487 1
83 1 14 1 "RMS(OBS, PRED)" HA 104 0.353 1
84 1 14 1 "RMS(OBS, PRED)" N 86 3.412 1
85 1 15 1 "RMS(OBS, PRED)" C 87 1.249 1
86 1 15 1 "RMS(OBS, PRED)" CA 96 1.112 1
87 1 15 1 "RMS(OBS, PRED)" CB 88 1.461 1
88 1 15 1 "RMS(OBS, PRED)" H 85 0.438 1
89 1 15 1 "RMS(OBS, PRED)" HA 104 0.347 1
90 1 15 1 "RMS(OBS, PRED)" N 86 3.553 1
91 1 16 1 "RMS(OBS, PRED)" C 87 1.171 1
92 1 16 1 "RMS(OBS, PRED)" CA 96 1.117 1
93 1 16 1 "RMS(OBS, PRED)" CB 88 1.429 1
94 1 16 1 "RMS(OBS, PRED)" H 85 0.495 1
95 1 16 1 "RMS(OBS, PRED)" HA 104 0.352 1
96 1 16 1 "RMS(OBS, PRED)" N 86 3.638 1
97 1 17 1 "RMS(OBS, PRED)" C 87 1.168 1
98 1 17 1 "RMS(OBS, PRED)" CA 96 1.101 1
99 1 17 1 "RMS(OBS, PRED)" CB 88 1.401 1
100 1 17 1 "RMS(OBS, PRED)" H 85 0.489 1
101 1 17 1 "RMS(OBS, PRED)" HA 104 0.370 1
102 1 17 1 "RMS(OBS, PRED)" N 86 3.552 1
103 1 18 1 "RMS(OBS, PRED)" C 87 1.158 1
104 1 18 1 "RMS(OBS, PRED)" CA 96 1.165 1
105 1 18 1 "RMS(OBS, PRED)" CB 88 1.377 1
106 1 18 1 "RMS(OBS, PRED)" H 85 0.457 1
107 1 18 1 "RMS(OBS, PRED)" HA 104 0.346 1
108 1 18 1 "RMS(OBS, PRED)" N 86 3.364 1
109 1 19 1 "RMS(OBS, PRED)" C 87 1.118 1
110 1 19 1 "RMS(OBS, PRED)" CA 96 1.144 1
111 1 19 1 "RMS(OBS, PRED)" CB 88 1.357 1
112 1 19 1 "RMS(OBS, PRED)" H 85 0.474 1
113 1 19 1 "RMS(OBS, PRED)" HA 104 0.356 1
114 1 19 1 "RMS(OBS, PRED)" N 86 3.453 1
115 1 20 1 "RMS(OBS, PRED)" C 87 1.182 1
116 1 20 1 "RMS(OBS, PRED)" CA 96 1.194 1
117 1 20 1 "RMS(OBS, PRED)" CB 88 1.379 1
118 1 20 1 "RMS(OBS, PRED)" H 85 0.494 1
119 1 20 1 "RMS(OBS, PRED)" HA 104 0.381 1
120 1 20 1 "RMS(OBS, PRED)" N 86 3.573 1
stop_
save_
save_delta_chem_shifts_average
_Entity_delta_chem_shifts.Sf_category delta_chem_shifts
_Entity_delta_chem_shifts.Sf_framecode delta_chem_shifts_average
_Entity_delta_chem_shifts.Conformer_type "average"
_Entity_delta_chem_shifts.ID 2
_Entity_delta_chem_shifts.Details
;
This saveframe contains the averaged SPARTA chemical shift over all the models used.
;
loop_
_Delta_CS.Assigned_chem_shift_list_ID
_Delta_CS.Atom_chem_shift_ID
_Delta_CS.Assembly_atom_ID
_Delta_CS.Entity_assembly_ID
_Delta_CS.Entity_ID
_Delta_CS.PDB_asym_ID
_Delta_CS.Comp_index_ID
_Delta_CS.Seq_ID
_Delta_CS.Comp_ID
_Delta_CS.Atom_ID
_Delta_CS.Atom_type
_Delta_CS.Auth_seq_ID
_Delta_CS.Original_CS_value
_Delta_CS.Sparta_CS_value
_Delta_CS.Delta_CS_value
_Delta_CS.Entity_delta_chem_shifts_ID
1 1 . 1 1 A 5 5 SER N N 5 119.122 117.719 1.403 2
1 2 . 1 1 A 6 6 SER N N 6 123.945 118.351 5.594 2
1 3 . 1 1 A 7 7 GLY HA2 H 7 3.813 3.920 -0.107 2
1 4 . 1 1 A 7 7 GLY HA3 H 7 3.813 3.939 -0.126 2
1 5 . 1 1 A 7 7 GLY CA C 7 45.375 45.366 0.009 2
1 6 . 1 1 A 8 8 ARG H H 8 7.999 7.922 0.077 2
1 7 . 1 1 A 8 8 ARG HA H 8 3.712 3.752 -0.040 2
1 14 . 1 1 A 8 8 ARG CA C 8 54.185 55.131 -0.946 2
1 15 . 1 1 A 8 8 ARG CB C 8 29.555 31.704 -2.149 2
1 18 . 1 1 A 8 8 ARG N N 8 121.209 120.783 0.426 2
1 19 . 1 1 A 9 9 SER H H 9 7.810 8.570 -0.760 2
1 20 . 1 1 A 9 9 SER HA H 9 4.725 4.998 -0.273 2
1 23 . 1 1 A 9 9 SER CA C 9 58.455 54.788 3.667 2
1 24 . 1 1 A 9 9 SER CB C 9 62.966 65.360 -2.394 2
1 25 . 1 1 A 9 9 SER N N 9 118.072 119.424 -1.352 2
1 26 . 1 1 A 10 10 PRO HA H 10 5.182 4.971 0.211 2
1 33 . 1 1 A 10 10 PRO CA C 10 61.759 61.324 0.435 2
1 34 . 1 1 A 10 10 PRO CB C 10 30.280 31.613 -1.333 2
1 37 . 1 1 A 11 11 PRO HA H 11 4.567 4.691 -0.124 2
1 44 . 1 1 A 11 11 PRO C C 11 173.556 176.069 -2.513 2
1 45 . 1 1 A 11 11 PRO CA C 11 62.674 62.682 -0.008 2
1 46 . 1 1 A 11 11 PRO CB C 11 33.026 31.681 1.345 2
1 49 . 1 1 A 12 12 SER H H 12 8.427 8.596 -0.169 2
1 50 . 1 1 A 12 12 SER HA H 12 4.890 4.977 -0.087 2
1 53 . 1 1 A 12 12 SER C C 12 173.115 173.792 -0.677 2
1 54 . 1 1 A 12 12 SER CA C 12 56.556 57.201 -0.645 2
1 55 . 1 1 A 12 12 SER CB C 12 66.882 66.058 0.824 2
1 56 . 1 1 A 12 12 SER N N 12 111.345 118.160 -6.815 2
1 57 . 1 1 A 13 13 ASN H H 13 8.973 8.799 0.174 2
1 58 . 1 1 A 13 13 ASN HA H 13 4.318 4.269 0.049 2
1 63 . 1 1 A 13 13 ASN C C 13 173.850 174.701 -0.851 2
1 64 . 1 1 A 13 13 ASN CA C 13 53.928 54.182 -0.254 2
1 65 . 1 1 A 13 13 ASN CB C 13 37.365 36.930 0.435 2
1 66 . 1 1 A 13 13 ASN N N 13 115.970 116.848 -0.878 2
1 68 . 1 1 A 14 14 LEU H H 14 8.223 8.178 0.045 2
1 69 . 1 1 A 14 14 LEU HA H 14 4.857 4.412 0.445 2
1 79 . 1 1 A 14 14 LEU C C 14 176.725 177.039 -0.314 2
1 80 . 1 1 A 14 14 LEU CA C 14 56.115 56.153 -0.038 2
1 81 . 1 1 A 14 14 LEU CB C 14 42.621 41.914 0.707 2
1 85 . 1 1 A 14 14 LEU N N 14 119.681 119.911 -0.230 2
1 86 . 1 1 A 15 15 ALA H H 15 9.364 8.462 0.902 2
1 87 . 1 1 A 15 15 ALA HA H 15 4.736 5.084 -0.348 2
1 91 . 1 1 A 15 15 ALA C C 15 175.056 175.468 -0.412 2
1 92 . 1 1 A 15 15 ALA CA C 15 51.496 50.805 0.691 2
1 93 . 1 1 A 15 15 ALA CB C 15 22.285 20.978 1.307 2
1 94 . 1 1 A 15 15 ALA N N 15 130.359 126.237 4.122 2
1 95 . 1 1 A 16 16 LEU H H 16 8.448 9.123 -0.675 2
1 96 . 1 1 A 16 16 LEU HA H 16 5.385 5.045 0.340 2
1 106 . 1 1 A 16 16 LEU C C 16 175.868 175.736 0.132 2
1 107 . 1 1 A 16 16 LEU CA C 16 53.224 53.928 -0.704 2
1 108 . 1 1 A 16 16 LEU CB C 16 45.061 42.112 2.949 2
1 112 . 1 1 A 16 16 LEU N N 16 120.470 124.170 -3.700 2
1 113 . 1 1 A 17 17 ALA H H 17 8.737 9.418 -0.681 2
1 114 . 1 1 A 17 17 ALA HA H 17 4.620 5.327 -0.707 2
1 118 . 1 1 A 17 17 ALA C C 17 175.371 175.287 0.084 2
1 119 . 1 1 A 17 17 ALA CA C 17 51.249 50.169 1.080 2
1 120 . 1 1 A 17 17 ALA CB C 17 22.570 21.463 1.107 2
1 121 . 1 1 A 17 17 ALA N N 17 124.938 128.682 -3.744 2
1 122 . 1 1 A 18 18 SER H H 18 8.675 8.803 -0.128 2
1 123 . 1 1 A 18 18 SER HA H 18 5.021 4.794 0.227 2
1 126 . 1 1 A 18 18 SER C C 18 174.678 174.495 0.183 2
1 127 . 1 1 A 18 18 SER CA C 18 57.244 56.626 0.618 2
1 128 . 1 1 A 18 18 SER CB C 18 64.200 64.199 0.001 2
1 129 . 1 1 A 18 18 SER N N 18 113.933 118.221 -4.288 2
1 130 . 1 1 A 19 19 GLU H H 19 9.743 8.793 0.950 2
1 131 . 1 1 A 19 19 GLU HA H 19 4.466 4.585 -0.119 2
1 136 . 1 1 A 19 19 GLU C C 19 176.368 176.257 0.111 2
1 137 . 1 1 A 19 19 GLU CA C 19 56.295 56.912 -0.617 2
1 138 . 1 1 A 19 19 GLU CB C 19 31.532 31.567 -0.035 2
1 140 . 1 1 A 19 19 GLU N N 19 127.234 124.666 2.568 2
1 141 . 1 1 A 20 20 THR H H 20 7.759 7.481 0.278 2
1 142 . 1 1 A 20 20 THR HA H 20 4.935 4.677 0.258 2
1 147 . 1 1 A 20 20 THR C C 20 171.770 173.785 -2.015 2
1 148 . 1 1 A 20 20 THR CA C 20 58.337 58.326 0.011 2
1 149 . 1 1 A 20 20 THR CB C 20 69.869 71.629 -1.760 2
1 151 . 1 1 A 20 20 THR N N 20 109.600 112.522 -2.922 2
1 152 . 1 1 A 21 21 PRO HA H 21 4.587 4.512 0.075 2
1 159 . 1 1 A 21 21 PRO C C 21 173.647 176.452 -2.805 2
1 160 . 1 1 A 21 21 PRO CA C 21 64.332 64.101 0.231 2
1 161 . 1 1 A 21 21 PRO CB C 21 32.380 31.542 0.838 2
1 164 . 1 1 A 22 22 ASP H H 22 7.420 8.250 -0.830 2
1 165 . 1 1 A 22 22 ASP HA H 22 4.648 5.050 -0.402 2
1 168 . 1 1 A 22 22 ASP C C 22 175.838 175.498 0.340 2
1 169 . 1 1 A 22 22 ASP CA C 22 51.037 54.080 -3.043 2
1 170 . 1 1 A 22 22 ASP CB C 22 42.177 42.479 -0.302 2
1 171 . 1 1 A 22 22 ASP N N 22 107.201 117.471 -10.270 2
1 172 . 1 1 A 23 23 SER H H 23 7.729 7.623 0.106 2
1 173 . 1 1 A 23 23 SER HA H 23 5.474 5.121 0.353 2
1 176 . 1 1 A 23 23 SER C C 23 171.887 172.218 -0.331 2
1 177 . 1 1 A 23 23 SER CA C 23 57.481 57.418 0.063 2
1 178 . 1 1 A 23 23 SER CB C 23 68.168 66.673 1.495 2
1 179 . 1 1 A 23 23 SER N N 23 112.046 113.192 -1.146 2
1 180 . 1 1 A 24 24 LEU H H 24 7.884 8.328 -0.444 2
1 181 . 1 1 A 24 24 LEU HA H 24 4.769 4.806 -0.037 2
1 191 . 1 1 A 24 24 LEU C C 24 174.542 174.410 0.132 2
1 192 . 1 1 A 24 24 LEU CA C 24 53.576 54.004 -0.428 2
1 193 . 1 1 A 24 24 LEU CB C 24 47.616 45.591 2.025 2
1 197 . 1 1 A 24 24 LEU N N 24 119.324 123.888 -4.564 2
1 198 . 1 1 A 25 25 GLN H H 25 9.356 9.128 0.228 2
1 199 . 1 1 A 25 25 GLN HA H 25 4.747 4.598 0.149 2
1 206 . 1 1 A 25 25 GLN C C 25 174.824 174.929 -0.105 2
1 207 . 1 1 A 25 25 GLN CA C 25 55.533 55.740 -0.207 2
1 208 . 1 1 A 25 25 GLN CB C 25 29.759 29.896 -0.137 2
1 210 . 1 1 A 25 25 GLN N N 25 124.019 127.756 -3.737 2
1 212 . 1 1 A 26 26 VAL H H 26 9.020 8.373 0.647 2
1 213 . 1 1 A 26 26 VAL HA H 26 4.824 4.939 -0.115 2
1 221 . 1 1 A 26 26 VAL C C 26 174.556 173.782 0.774 2
1 222 . 1 1 A 26 26 VAL CA C 26 60.629 60.123 0.506 2
1 223 . 1 1 A 26 26 VAL CB C 26 33.355 35.293 -1.938 2
1 226 . 1 1 A 26 26 VAL N N 26 127.649 124.394 3.255 2
1 227 . 1 1 A 27 27 SER H H 27 9.056 8.685 0.371 2
1 228 . 1 1 A 27 27 SER HA H 27 4.857 4.925 -0.068 2
1 231 . 1 1 A 27 27 SER C C 27 172.328 172.969 -0.641 2
1 232 . 1 1 A 27 27 SER CA C 27 57.138 56.122 1.016 2
1 233 . 1 1 A 27 27 SER CB C 27 66.864 66.260 0.604 2
1 234 . 1 1 A 27 27 SER N N 27 119.826 122.597 -2.771 2
1 235 . 1 1 A 28 28 TRP H H 28 7.584 8.071 -0.487 2
1 236 . 1 1 A 28 28 TRP HA H 28 5.022 5.321 -0.299 2
1 245 . 1 1 A 28 28 TRP C C 28 174.055 172.928 1.127 2
1 246 . 1 1 A 28 28 TRP CA C 28 56.609 55.641 0.968 2
1 247 . 1 1 A 28 28 TRP CB C 28 29.814 31.145 -1.331 2
1 253 . 1 1 A 28 28 TRP N N 28 115.280 119.138 -3.859 2
1 255 . 1 1 A 29 29 THR H H 29 9.293 8.937 0.356 2
1 256 . 1 1 A 29 29 THR HA H 29 4.865 4.812 0.053 2
1 261 . 1 1 A 29 29 THR C C 29 173.203 173.569 -0.366 2
1 262 . 1 1 A 29 29 THR CA C 29 59.889 59.458 0.431 2
1 263 . 1 1 A 29 29 THR CB C 29 69.774 69.851 -0.077 2
1 265 . 1 1 A 29 29 THR N N 29 117.164 115.498 1.666 2
1 266 . 1 1 A 30 30 PRO HA H 30 4.809 4.838 -0.029 2
1 273 . 1 1 A 30 30 PRO CA C 30 61.701 61.880 -0.179 2
1 274 . 1 1 A 30 30 PRO CB C 30 32.114 32.299 -0.185 2
1 277 . 1 1 A 31 31 PRO HA H 31 4.703 4.718 -0.015 2
1 284 . 1 1 A 31 31 PRO C C 31 175.384 176.547 -1.163 2
1 285 . 1 1 A 31 31 PRO CA C 31 61.793 62.411 -0.619 2
1 286 . 1 1 A 31 31 PRO CB C 31 32.822 33.456 -0.634 2
1 289 . 1 1 A 32 32 LEU H H 32 8.312 8.456 -0.144 2
1 290 . 1 1 A 32 32 LEU HA H 32 4.333 4.411 -0.078 2
1 300 . 1 1 A 32 32 LEU C C 32 177.793 178.010 -0.217 2
1 301 . 1 1 A 32 32 LEU CA C 32 55.851 56.516 -0.665 2
1 302 . 1 1 A 32 32 LEU CB C 32 41.968 42.846 -0.878 2
1 306 . 1 1 A 32 32 LEU N N 32 119.044 119.161 -0.117 2
1 307 . 1 1 A 33 33 GLY H H 33 8.147 7.882 0.265 2
1 308 . 1 1 A 33 33 GLY HA2 H 33 4.210 4.063 0.147 2
1 309 . 1 1 A 33 33 GLY HA3 H 33 4.051 4.088 -0.037 2
1 310 . 1 1 A 33 33 GLY C C 33 172.971 173.219 -0.248 2
1 311 . 1 1 A 33 33 GLY CA C 33 44.216 45.471 -1.255 2
1 312 . 1 1 A 33 33 GLY N N 33 107.917 107.749 0.168 2
1 313 . 1 1 A 34 34 ARG H H 34 8.671 8.525 0.146 2
1 314 . 1 1 A 34 34 ARG HA H 34 4.405 4.442 -0.037 2
1 321 . 1 1 A 34 34 ARG C C 34 174.517 175.427 -0.910 2
1 322 . 1 1 A 34 34 ARG CA C 34 55.339 56.593 -1.254 2
1 323 . 1 1 A 34 34 ARG CB C 34 29.137 30.658 -1.521 2
1 326 . 1 1 A 34 34 ARG N N 34 121.152 123.018 -1.866 2
1 327 . 1 1 A 35 35 VAL H H 35 7.825 8.618 -0.793 2
1 328 . 1 1 A 35 35 VAL HA H 35 3.060 4.291 -1.231 2
1 336 . 1 1 A 35 35 VAL C C 35 176.613 175.418 1.195 2
1 337 . 1 1 A 35 35 VAL CA C 35 62.505 61.011 1.494 2
1 338 . 1 1 A 35 35 VAL CB C 35 32.534 32.769 -0.235 2
1 341 . 1 1 A 35 35 VAL N N 35 126.379 127.232 -0.853 2
1 342 . 1 1 A 36 36 LEU H H 36 8.874 8.332 0.542 2
1 343 . 1 1 A 36 36 LEU HA H 36 4.176 4.032 0.144 2
1 353 . 1 1 A 36 36 LEU C C 36 177.540 176.863 0.677 2
1 354 . 1 1 A 36 36 LEU CA C 36 57.050 57.818 -0.768 2
1 355 . 1 1 A 36 36 LEU CB C 36 41.723 42.308 -0.585 2
1 359 . 1 1 A 36 36 LEU N N 36 127.956 129.917 -1.961 2
1 360 . 1 1 A 37 37 HIS H H 37 7.231 7.406 -0.175 2
1 361 . 1 1 A 37 37 HIS HA H 37 4.615 4.996 -0.381 2
1 366 . 1 1 A 37 37 HIS C C 37 171.558 171.814 -0.256 2
1 367 . 1 1 A 37 37 HIS CA C 37 55.005 54.054 0.951 2
1 368 . 1 1 A 37 37 HIS CB C 37 32.039 32.750 -0.711 2
1 371 . 1 1 A 37 37 HIS N N 37 112.948 112.546 0.402 2
1 372 . 1 1 A 38 38 TYR H H 38 9.836 8.947 0.889 2
1 373 . 1 1 A 38 38 TYR HA H 38 5.165 4.955 0.210 2
1 378 . 1 1 A 38 38 TYR C C 38 174.934 174.804 0.130 2
1 379 . 1 1 A 38 38 TYR CA C 38 56.698 56.588 0.110 2
1 380 . 1 1 A 38 38 TYR CB C 38 40.251 39.172 1.079 2
1 385 . 1 1 A 38 38 TYR N N 38 116.581 117.527 -0.946 2
1 386 . 1 1 A 39 39 TRP H H 39 8.984 8.680 0.304 2
1 387 . 1 1 A 39 39 TRP HA H 39 5.307 4.920 0.387 2
1 396 . 1 1 A 39 39 TRP C C 39 173.996 175.106 -1.110 2
1 397 . 1 1 A 39 39 TRP CA C 39 55.798 57.058 -1.260 2
1 398 . 1 1 A 39 39 TRP CB C 39 31.998 29.404 2.594 2
1 404 . 1 1 A 39 39 TRP N N 39 124.201 128.351 -4.150 2
1 406 . 1 1 A 40 40 LEU H H 40 8.695 8.427 0.269 2
1 407 . 1 1 A 40 40 LEU HA H 40 5.636 4.839 0.797 2
1 417 . 1 1 A 40 40 LEU C C 40 175.416 175.027 0.389 2
1 418 . 1 1 A 40 40 LEU CA C 40 54.030 53.703 0.327 2
1 419 . 1 1 A 40 40 LEU CB C 40 44.846 44.431 0.415 2
1 423 . 1 1 A 40 40 LEU N N 40 132.690 129.703 2.987 2
1 424 . 1 1 A 41 41 THR H H 41 9.103 8.911 0.192 2
1 425 . 1 1 A 41 41 THR HA H 41 5.341 4.961 0.380 2
1 430 . 1 1 A 41 41 THR C C 41 173.042 172.998 0.044 2
1 431 . 1 1 A 41 41 THR CA C 41 60.118 60.373 -0.255 2
1 432 . 1 1 A 41 41 THR CB C 41 71.493 70.534 0.959 2
1 434 . 1 1 A 41 41 THR N N 41 117.923 115.743 2.180 2
1 435 . 1 1 A 42 42 TYR H H 42 9.073 8.767 0.306 2
1 436 . 1 1 A 42 42 TYR HA H 42 5.915 5.817 0.098 2
1 443 . 1 1 A 42 42 TYR C C 42 173.637 174.325 -0.688 2
1 444 . 1 1 A 42 42 TYR CA C 42 55.146 55.426 -0.280 2
1 445 . 1 1 A 42 42 TYR CB C 42 42.124 41.653 0.471 2
1 450 . 1 1 A 42 42 TYR N N 42 118.958 121.966 -3.008 2
1 451 . 1 1 A 43 43 ALA H H 43 8.508 8.808 -0.300 2
1 452 . 1 1 A 43 43 ALA HA H 43 5.099 4.723 0.376 2
1 456 . 1 1 A 43 43 ALA C C 43 173.859 175.381 -1.522 2
1 457 . 1 1 A 43 43 ALA CA C 43 50.156 50.358 -0.202 2
1 458 . 1 1 A 43 43 ALA CB C 43 21.455 22.233 -0.779 2
1 459 . 1 1 A 43 43 ALA N N 43 122.386 121.367 1.019 2
1 460 . 1 1 A 44 44 PRO HA H 44 4.079 4.251 -0.172 2
1 467 . 1 1 A 44 44 PRO C C 44 178.191 177.026 1.165 2
1 468 . 1 1 A 44 44 PRO CA C 44 63.194 62.894 0.300 2
1 469 . 1 1 A 44 44 PRO CB C 44 31.525 31.322 0.203 2
1 472 . 1 1 A 45 45 ALA H H 45 8.934 8.192 0.742 2
1 473 . 1 1 A 45 45 ALA HA H 45 3.965 3.986 -0.021 2
1 477 . 1 1 A 45 45 ALA C C 45 177.272 177.968 -0.696 2
1 478 . 1 1 A 45 45 ALA CA C 45 53.911 54.210 -0.299 2
1 479 . 1 1 A 45 45 ALA CB C 45 18.221 18.016 0.205 2
1 480 . 1 1 A 45 45 ALA N N 45 129.632 124.466 5.166 2
1 481 . 1 1 A 46 46 SER H H 46 8.311 7.919 0.392 2
1 482 . 1 1 A 46 46 SER HA H 46 4.193 4.434 -0.241 2
1 485 . 1 1 A 46 46 SER C C 46 175.546 174.508 1.038 2
1 486 . 1 1 A 46 46 SER CA C 46 58.584 59.335 -0.751 2
1 487 . 1 1 A 46 46 SER CB C 46 63.543 64.373 -0.830 2
1 488 . 1 1 A 46 46 SER N N 46 111.878 111.596 0.282 2
1 489 . 1 1 A 47 47 GLY H H 47 7.743 8.313 -0.570 2
1 490 . 1 1 A 47 47 GLY HA2 H 47 4.203 3.935 0.268 2
1 491 . 1 1 A 47 47 GLY HA3 H 47 3.840 3.939 -0.099 2
1 492 . 1 1 A 47 47 GLY C C 47 174.463 174.797 -0.334 2
1 493 . 1 1 A 47 47 GLY CA C 47 45.501 46.328 -0.827 2
1 494 . 1 1 A 47 47 GLY N N 47 108.526 109.866 -1.340 2
1 495 . 1 1 A 48 48 LEU H H 48 7.794 8.139 -0.345 2
1 496 . 1 1 A 48 48 LEU HA H 48 4.448 4.395 0.053 2
1 506 . 1 1 A 48 48 LEU C C 48 176.668 176.468 0.200 2
1 507 . 1 1 A 48 48 LEU CA C 48 54.470 55.632 -1.162 2
1 508 . 1 1 A 48 48 LEU CB C 48 41.445 42.704 -1.259 2
1 512 . 1 1 A 48 48 LEU N N 48 120.348 119.519 0.829 2
1 513 . 1 1 A 49 49 GLY H H 49 7.889 7.690 0.199 2
1 514 . 1 1 A 49 49 GLY HA2 H 49 4.266 4.072 0.195 2
1 515 . 1 1 A 49 49 GLY HA3 H 49 3.965 4.076 -0.111 2
1 516 . 1 1 A 49 49 GLY C C 49 170.653 172.288 -1.635 2
1 517 . 1 1 A 49 49 GLY CA C 49 44.151 44.505 -0.354 2
1 518 . 1 1 A 49 49 GLY N N 49 108.892 107.189 1.703 2
1 519 . 1 1 A 50 50 PRO HA H 50 4.483 4.558 -0.074 2
1 526 . 1 1 A 50 50 PRO C C 50 176.143 175.738 0.405 2
1 527 . 1 1 A 50 50 PRO CA C 50 62.639 62.698 -0.059 2
1 528 . 1 1 A 50 50 PRO CB C 50 32.575 32.779 -0.204 2
1 531 . 1 1 A 51 51 GLU H H 51 8.463 8.559 -0.096 2
1 532 . 1 1 A 51 51 GLU HA H 51 4.560 4.747 -0.187 2
1 537 . 1 1 A 51 51 GLU C C 51 175.792 175.398 0.394 2
1 538 . 1 1 A 51 51 GLU CA C 51 55.516 55.182 0.334 2
1 539 . 1 1 A 51 51 GLU CB C 51 31.305 32.300 -0.995 2
1 541 . 1 1 A 51 51 GLU N N 51 121.175 119.998 1.177 2
1 542 . 1 1 A 52 52 LYS H H 52 8.180 8.036 0.144 2
1 543 . 1 1 A 52 52 LYS HA H 52 4.511 4.672 -0.161 2
1 552 . 1 1 A 52 52 LYS C C 52 174.000 175.227 -1.227 2
1 553 . 1 1 A 52 52 LYS CA C 52 54.952 54.842 0.110 2
1 554 . 1 1 A 52 52 LYS CB C 52 36.101 34.412 1.689 2
1 558 . 1 1 A 52 52 LYS N N 52 125.598 125.141 0.457 2
1 559 . 1 1 A 53 53 SER H H 53 8.087 8.486 -0.399 2
1 560 . 1 1 A 53 53 SER HA H 53 5.637 5.046 0.591 2
1 563 . 1 1 A 53 53 SER C C 53 173.704 172.869 0.835 2
1 564 . 1 1 A 53 53 SER CA C 53 56.662 57.252 -0.590 2
1 565 . 1 1 A 53 53 SER CB C 53 67.219 65.600 1.619 2
1 566 . 1 1 A 53 53 SER N N 53 112.778 114.163 -1.385 2
1 567 . 1 1 A 54 54 VAL H H 54 8.940 8.654 0.286 2
1 568 . 1 1 A 54 54 VAL HA H 54 4.314 4.866 -0.552 2
1 576 . 1 1 A 54 54 VAL C C 54 172.304 174.347 -2.043 2
1 577 . 1 1 A 54 54 VAL CA C 54 60.506 59.395 1.111 2
1 578 . 1 1 A 54 54 VAL CB C 54 36.121 35.059 1.062 2
1 581 . 1 1 A 54 54 VAL N N 54 119.961 119.770 0.191 2
1 582 . 1 1 A 55 55 SER H H 55 8.180 8.819 -0.639 2
1 583 . 1 1 A 55 55 SER HA H 55 5.461 5.048 0.413 2
1 586 . 1 1 A 55 55 SER C C 55 174.870 174.125 0.745 2
1 587 . 1 1 A 55 55 SER CA C 55 56.065 58.065 -2.000 2
1 588 . 1 1 A 55 55 SER CB C 55 64.094 64.360 -0.266 2
1 589 . 1 1 A 55 55 SER N N 55 117.963 119.662 -1.700 2
1 590 . 1 1 A 56 56 VAL H H 56 9.201 8.659 0.542 2
1 591 . 1 1 A 56 56 VAL HA H 56 4.780 4.661 0.119 2
1 599 . 1 1 A 56 56 VAL C C 56 173.446 174.228 -0.782 2
1 600 . 1 1 A 56 56 VAL CA C 56 58.760 59.018 -0.258 2
1 601 . 1 1 A 56 56 VAL CB C 56 35.954 35.851 0.103 2
1 604 . 1 1 A 56 56 VAL N N 56 127.863 125.316 2.547 2
1 605 . 1 1 A 57 57 PRO HA H 57 4.582 4.656 -0.074 2
1 612 . 1 1 A 57 57 PRO C C 57 176.776 178.526 -1.750 2
1 613 . 1 1 A 57 57 PRO CA C 57 64.226 63.430 0.796 2
1 614 . 1 1 A 57 57 PRO CB C 57 33.063 31.837 1.226 2
1 617 . 1 1 A 58 58 GLY H H 58 7.663 8.706 -1.043 2
1 618 . 1 1 A 58 58 GLY HA2 H 58 3.684 3.701 -0.017 2
1 619 . 1 1 A 58 58 GLY HA3 H 58 3.620 3.846 -0.226 2
1 620 . 1 1 A 58 58 GLY C C 58 173.755 175.647 -1.892 2
1 621 . 1 1 A 58 58 GLY CA C 58 46.877 47.102 -0.225 2
1 622 . 1 1 A 58 58 GLY N N 58 106.964 112.877 -5.913 2
1 623 . 1 1 A 59 59 ALA H H 59 7.900 8.169 -0.269 2
1 624 . 1 1 A 59 59 ALA HA H 59 4.516 4.062 0.454 2
1 628 . 1 1 A 59 59 ALA C C 59 178.104 177.613 0.491 2
1 629 . 1 1 A 59 59 ALA CA C 59 52.713 55.004 -2.291 2
1 630 . 1 1 A 59 59 ALA CB C 59 19.380 18.870 0.510 2
1 631 . 1 1 A 59 59 ALA N N 59 119.932 124.053 -4.121 2
1 632 . 1 1 A 60 60 ARG H H 60 8.306 8.011 0.295 2
1 633 . 1 1 A 60 60 ARG HA H 60 4.559 4.765 -0.206 2
1 640 . 1 1 A 60 60 ARG C C 60 174.842 175.675 -0.833 2
1 641 . 1 1 A 60 60 ARG CA C 60 55.357 55.116 0.241 2
1 642 . 1 1 A 60 60 ARG CB C 60 32.823 32.158 0.665 2
1 645 . 1 1 A 60 60 ARG N N 60 118.739 116.037 2.702 2
1 646 . 1 1 A 61 61 SER H H 61 8.229 8.573 -0.344 2
1 647 . 1 1 A 61 61 SER HA H 61 3.709 4.414 -0.705 2
1 650 . 1 1 A 61 61 SER C C 61 170.973 172.497 -1.524 2
1 651 . 1 1 A 61 61 SER CA C 61 56.045 57.062 -1.017 2
1 652 . 1 1 A 61 61 SER CB C 61 63.329 63.188 0.141 2
1 653 . 1 1 A 61 61 SER N N 61 110.956 113.345 -2.389 2
1 654 . 1 1 A 62 62 HIS H H 62 6.458 7.078 -0.620 2
1 655 . 1 1 A 62 62 HIS HA H 62 4.626 4.286 0.340 2
1 660 . 1 1 A 62 62 HIS C C 62 173.581 173.154 0.427 2
1 661 . 1 1 A 62 62 HIS CA C 62 54.494 53.716 0.778 2
1 662 . 1 1 A 62 62 HIS CB C 62 32.485 32.473 0.012 2
1 665 . 1 1 A 62 62 HIS N N 62 113.571 116.565 -2.994 2
1 666 . 1 1 A 63 63 VAL H H 63 8.794 8.474 0.320 2
1 667 . 1 1 A 63 63 VAL HA H 63 4.325 4.457 -0.132 2
1 675 . 1 1 A 63 63 VAL C C 63 171.906 173.704 -1.798 2
1 676 . 1 1 A 63 63 VAL CA C 63 61.052 60.408 0.644 2
1 677 . 1 1 A 63 63 VAL CB C 63 34.800 34.804 -0.004 2
1 680 . 1 1 A 63 63 VAL N N 63 118.122 119.078 -0.956 2
1 681 . 1 1 A 64 64 THR H H 64 8.316 8.681 -0.365 2
1 682 . 1 1 A 64 64 THR HA H 64 4.970 5.000 -0.030 2
1 687 . 1 1 A 64 64 THR C C 64 173.412 173.225 0.187 2
1 688 . 1 1 A 64 64 THR CA C 64 61.775 61.544 0.231 2
1 689 . 1 1 A 64 64 THR CB C 64 69.851 70.851 -1.000 2
1 691 . 1 1 A 64 64 THR N N 64 122.871 121.010 1.861 2
1 692 . 1 1 A 65 65 LEU H H 65 9.348 8.510 0.838 2
1 693 . 1 1 A 65 65 LEU HA H 65 4.584 4.730 -0.146 2
1 703 . 1 1 A 65 65 LEU C C 65 173.397 174.902 -1.505 2
1 704 . 1 1 A 65 65 LEU CA C 65 50.297 51.143 -0.846 2
1 705 . 1 1 A 65 65 LEU CB C 65 41.547 42.139 -0.592 2
1 709 . 1 1 A 65 65 LEU N N 65 129.778 127.391 2.387 2
1 710 . 1 1 A 66 66 PRO HA H 66 4.868 4.437 0.431 2
1 717 . 1 1 A 66 66 PRO C C 66 175.188 176.416 -1.228 2
1 718 . 1 1 A 66 66 PRO CA C 66 61.370 62.697 -1.327 2
1 719 . 1 1 A 66 66 PRO CB C 66 33.700 32.645 1.055 2
1 722 . 1 1 A 67 67 ASP H H 67 8.729 8.790 -0.062 2
1 723 . 1 1 A 67 67 ASP HA H 67 4.333 4.161 0.172 2
1 726 . 1 1 A 67 67 ASP C C 67 175.824 174.927 0.897 2
1 727 . 1 1 A 67 67 ASP CA C 67 55.181 54.829 0.352 2
1 728 . 1 1 A 67 67 ASP CB C 67 39.225 39.518 -0.293 2
1 729 . 1 1 A 67 67 ASP N N 67 113.984 118.091 -4.107 2
1 730 . 1 1 A 68 68 LEU H H 68 8.599 7.680 0.919 2
1 731 . 1 1 A 68 68 LEU HA H 68 4.414 4.748 -0.334 2
1 741 . 1 1 A 68 68 LEU C C 68 176.487 176.168 0.319 2
1 742 . 1 1 A 68 68 LEU CA C 68 53.259 53.171 0.088 2
1 743 . 1 1 A 68 68 LEU CB C 68 41.630 44.055 -2.425 2
1 747 . 1 1 A 68 68 LEU N N 68 118.102 118.749 -0.647 2
1 748 . 1 1 A 69 69 GLN H H 69 8.114 8.569 -0.455 2
1 749 . 1 1 A 69 69 GLN HA H 69 4.349 4.798 -0.449 2
1 756 . 1 1 A 69 69 GLN C C 69 175.669 174.907 0.762 2
1 757 . 1 1 A 69 69 GLN CA C 69 54.722 54.531 0.191 2
1 758 . 1 1 A 69 69 GLN CB C 69 30.803 31.336 -0.533 2
1 760 . 1 1 A 69 69 GLN N N 69 118.191 119.650 -1.459 2
1 762 . 1 1 A 70 70 ALA H H 70 8.240 8.711 -0.471 2
1 763 . 1 1 A 70 70 ALA HA H 70 4.835 4.908 -0.073 2
1 767 . 1 1 A 70 70 ALA C C 70 178.720 177.046 1.674 2
1 768 . 1 1 A 70 70 ALA CA C 70 52.501 50.537 1.964 2
1 769 . 1 1 A 70 70 ALA CB C 70 20.257 21.617 -1.360 2
1 770 . 1 1 A 70 70 ALA N N 70 124.989 121.518 3.471 2
1 771 . 1 1 A 71 71 ALA H H 71 8.003 8.297 -0.294 2
1 772 . 1 1 A 71 71 ALA HA H 71 3.974 3.900 0.074 2
1 776 . 1 1 A 71 71 ALA C C 71 176.118 175.969 0.149 2
1 777 . 1 1 A 71 71 ALA CA C 71 52.491 52.995 -0.504 2
1 778 . 1 1 A 71 71 ALA CB C 71 18.439 17.816 0.623 2
1 779 . 1 1 A 71 71 ALA N N 71 128.133 120.328 7.805 2
1 780 . 1 1 A 72 72 THR H H 72 8.391 7.951 0.440 2
1 781 . 1 1 A 72 72 THR HA H 72 4.563 4.786 -0.223 2
1 786 . 1 1 A 72 72 THR C C 72 172.643 173.945 -1.302 2
1 787 . 1 1 A 72 72 THR CA C 72 62.856 61.379 1.477 2
1 788 . 1 1 A 72 72 THR CB C 72 71.924 71.791 0.133 2
1 790 . 1 1 A 72 72 THR N N 72 114.280 111.371 2.909 2
1 791 . 1 1 A 73 73 LYS H H 73 8.691 8.397 0.294 2
1 792 . 1 1 A 73 73 LYS HA H 73 4.846 4.707 0.139 2
1 801 . 1 1 A 73 73 LYS C C 73 176.405 175.554 0.851 2
1 802 . 1 1 A 73 73 LYS CA C 73 55.992 55.973 0.019 2
1 803 . 1 1 A 73 73 LYS CB C 73 33.535 33.577 -0.042 2
1 807 . 1 1 A 73 73 LYS N N 73 125.989 125.719 0.270 2
1 808 . 1 1 A 74 74 TYR H H 74 9.569 8.751 0.818 2
1 809 . 1 1 A 74 74 TYR HA H 74 4.758 5.297 -0.539 2
1 816 . 1 1 A 74 74 TYR C C 74 173.567 174.841 -1.274 2
1 817 . 1 1 A 74 74 TYR CA C 74 58.778 56.590 2.188 2
1 818 . 1 1 A 74 74 TYR CB C 74 42.667 41.289 1.378 2
1 823 . 1 1 A 74 74 TYR N N 74 126.436 118.243 8.194 2
1 824 . 1 1 A 75 75 ARG H H 75 9.005 8.869 0.136 2
1 825 . 1 1 A 75 75 ARG HA H 75 5.053 4.555 0.498 2
1 832 . 1 1 A 75 75 ARG C C 75 175.042 174.933 0.109 2
1 833 . 1 1 A 75 75 ARG CA C 75 55.027 56.397 -1.370 2
1 834 . 1 1 A 75 75 ARG CB C 75 32.284 30.428 1.856 2
1 837 . 1 1 A 75 75 ARG N N 75 121.560 125.855 -4.295 2
1 838 . 1 1 A 76 76 VAL H H 76 9.127 8.934 0.193 2
1 839 . 1 1 A 76 76 VAL HA H 76 4.977 4.483 0.494 2
1 847 . 1 1 A 76 76 VAL C C 76 173.144 175.444 -2.300 2
1 848 . 1 1 A 76 76 VAL CA C 76 60.876 62.571 -1.695 2
1 849 . 1 1 A 76 76 VAL CB C 76 34.922 31.654 3.268 2
1 852 . 1 1 A 76 76 VAL N N 76 127.571 127.048 0.523 2
1 853 . 1 1 A 77 77 LEU H H 77 9.083 9.368 -0.285 2
1 854 . 1 1 A 77 77 LEU HA H 77 5.350 5.478 -0.128 2
1 864 . 1 1 A 77 77 LEU C C 77 176.622 175.636 0.986 2
1 865 . 1 1 A 77 77 LEU CA C 77 53.911 53.387 0.524 2
1 866 . 1 1 A 77 77 LEU CB C 77 44.959 42.708 2.251 2
1 870 . 1 1 A 77 77 LEU N N 77 127.310 128.972 -1.662 2
1 871 . 1 1 A 78 78 VAL H H 78 8.918 8.681 0.237 2
1 872 . 1 1 A 78 78 VAL HA H 78 4.890 4.685 0.205 2
1 880 . 1 1 A 78 78 VAL C C 78 174.235 175.010 -0.775 2
1 881 . 1 1 A 78 78 VAL CA C 78 61.193 60.955 0.238 2
1 882 . 1 1 A 78 78 VAL CB C 78 34.718 33.464 1.254 2
1 885 . 1 1 A 78 78 VAL N N 78 119.228 126.539 -7.311 2
1 886 . 1 1 A 79 79 SER H H 79 8.598 8.603 -0.005 2
1 887 . 1 1 A 79 79 SER HA H 79 4.725 5.003 -0.278 2
1 890 . 1 1 A 79 79 SER C C 79 172.877 172.811 0.066 2
1 891 . 1 1 A 79 79 SER CA C 79 56.680 57.473 -0.793 2
1 892 . 1 1 A 79 79 SER CB C 79 65.806 66.233 -0.427 2
1 893 . 1 1 A 79 79 SER N N 79 119.664 122.490 -2.826 2
1 894 . 1 1 A 80 80 ALA H H 80 8.939 8.261 0.678 2
1 895 . 1 1 A 80 80 ALA HA H 80 4.325 4.579 -0.254 2
1 899 . 1 1 A 80 80 ALA C C 80 174.050 176.663 -2.613 2
1 900 . 1 1 A 80 80 ALA CA C 80 51.126 51.395 -0.268 2
1 901 . 1 1 A 80 80 ALA CB C 80 21.990 19.605 2.385 2
1 902 . 1 1 A 80 80 ALA N N 80 126.283 127.677 -1.393 2
1 903 . 1 1 A 81 81 ILE H H 81 8.424 8.270 0.154 2
1 904 . 1 1 A 81 81 ILE HA H 81 4.116 4.569 -0.453 2
1 914 . 1 1 A 81 81 ILE C C 81 173.862 174.282 -0.420 2
1 915 . 1 1 A 81 81 ILE CA C 81 61.175 60.249 0.926 2
1 916 . 1 1 A 81 81 ILE CB C 81 36.015 38.446 -2.431 2
1 920 . 1 1 A 81 81 ILE N N 81 123.033 122.767 0.266 2
1 921 . 1 1 A 82 82 TYR H H 82 8.377 8.785 -0.408 2
1 922 . 1 1 A 82 82 TYR HA H 82 4.681 4.893 -0.212 2
1 929 . 1 1 A 82 82 TYR C C 82 176.146 176.266 -0.120 2
1 930 . 1 1 A 82 82 TYR CA C 82 56.309 56.725 -0.416 2
1 931 . 1 1 A 82 82 TYR CB C 82 40.734 42.501 -1.767 2
1 936 . 1 1 A 82 82 TYR N N 82 125.168 125.405 -0.237 2
1 937 . 1 1 A 83 83 ALA H H 83 9.437 9.071 0.366 2
1 938 . 1 1 A 83 83 ALA HA H 83 4.059 4.085 -0.026 2
1 942 . 1 1 A 83 83 ALA C C 83 179.312 179.977 -0.665 2
1 943 . 1 1 A 83 83 ALA CA C 83 55.729 55.587 0.142 2
1 944 . 1 1 A 83 83 ALA CB C 83 17.613 18.287 -0.674 2
1 945 . 1 1 A 83 83 ALA N N 83 125.234 124.940 0.294 2
1 946 . 1 1 A 84 84 ALA H H 84 7.823 7.893 -0.070 2
1 947 . 1 1 A 84 84 ALA HA H 84 4.434 4.132 0.302 2
1 951 . 1 1 A 84 84 ALA C C 84 176.808 177.588 -0.780 2
1 952 . 1 1 A 84 84 ALA CA C 84 51.936 54.718 -2.782 2
1 953 . 1 1 A 84 84 ALA CB C 84 19.514 19.804 -0.290 2
1 954 . 1 1 A 84 84 ALA N N 84 114.587 119.963 -5.376 2
1 955 . 1 1 A 85 85 GLY H H 85 7.366 7.431 -0.065 2
1 956 . 1 1 A 85 85 GLY HA2 H 85 4.362 4.024 0.338 2
1 957 . 1 1 A 85 85 GLY HA3 H 85 3.835 4.035 -0.200 2
1 958 . 1 1 A 85 85 GLY C C 85 171.544 171.995 -0.451 2
1 959 . 1 1 A 85 85 GLY CA C 85 44.576 45.863 -1.287 2
1 960 . 1 1 A 85 85 GLY N N 85 105.342 102.054 3.288 2
1 961 . 1 1 A 86 86 ARG H H 86 8.626 8.496 0.130 2
1 962 . 1 1 A 86 86 ARG HA H 86 5.263 5.179 0.084 2
1 969 . 1 1 A 86 86 ARG C C 86 176.925 175.929 0.996 2
1 970 . 1 1 A 86 86 ARG CA C 86 54.863 55.266 -0.403 2
1 971 . 1 1 A 86 86 ARG CB C 86 33.491 32.042 1.449 2
1 974 . 1 1 A 86 86 ARG N N 86 118.147 117.712 0.435 2
1 975 . 1 1 A 87 87 SER H H 87 9.496 9.069 0.427 2
1 976 . 1 1 A 87 87 SER HA H 87 4.747 4.651 0.096 2
1 979 . 1 1 A 87 87 SER C C 87 174.538 174.500 0.039 2
1 980 . 1 1 A 87 87 SER CA C 87 58.284 57.899 0.385 2
1 981 . 1 1 A 87 87 SER CB C 87 67.271 65.510 1.762 2
1 982 . 1 1 A 87 87 SER N N 87 119.835 114.821 5.014 2
1 983 . 1 1 A 88 88 GLU H H 88 9.058 8.569 0.489 2
1 984 . 1 1 A 88 88 GLU HA H 88 4.342 4.219 0.123 2
1 989 . 1 1 A 88 88 GLU C C 88 176.157 175.819 0.338 2
1 990 . 1 1 A 88 88 GLU CA C 88 56.874 56.120 0.754 2
1 991 . 1 1 A 88 88 GLU CB C 88 30.350 30.176 0.174 2
1 993 . 1 1 A 88 88 GLU N N 88 119.700 120.087 -0.387 2
1 994 . 1 1 A 89 89 ALA H H 89 8.674 8.527 0.147 2
1 995 . 1 1 A 89 89 ALA HA H 89 4.918 5.426 -0.508 2
1 999 . 1 1 A 89 89 ALA C C 89 178.887 176.209 2.678 2
1 1000 . 1 1 A 89 89 ALA CA C 89 51.340 50.317 1.023 2
1 1001 . 1 1 A 89 89 ALA CB C 89 20.130 21.653 -1.523 2
1 1002 . 1 1 A 89 89 ALA N N 89 125.485 122.697 2.788 2
1 1003 . 1 1 A 90 90 VAL H H 90 8.621 8.626 -0.005 2
1 1004 . 1 1 A 90 90 VAL HA H 90 4.562 4.857 -0.295 2
1 1012 . 1 1 A 90 90 VAL C C 90 174.251 175.477 -1.226 2
1 1013 . 1 1 A 90 90 VAL CA C 90 60.365 60.543 -0.178 2
1 1014 . 1 1 A 90 90 VAL CB C 90 33.770 33.494 0.276 2
1 1017 . 1 1 A 90 90 VAL N N 90 119.440 119.200 0.240 2
1 1018 . 1 1 A 91 91 SER H H 91 8.373 8.835 -0.462 2
1 1019 . 1 1 A 91 91 SER HA H 91 5.877 5.121 0.756 2
1 1022 . 1 1 A 91 91 SER C C 91 174.245 173.678 0.567 2
1 1023 . 1 1 A 91 91 SER CA C 91 56.109 57.150 -1.041 2
1 1024 . 1 1 A 91 91 SER CB C 91 67.620 64.930 2.690 2
1 1025 . 1 1 A 91 91 SER N N 91 116.084 121.397 -5.313 2
1 1026 . 1 1 A 92 92 ALA H H 92 8.900 8.792 0.108 2
1 1027 . 1 1 A 92 92 ALA HA H 92 4.681 4.915 -0.234 2
1 1031 . 1 1 A 92 92 ALA C C 92 175.187 176.093 -0.906 2
1 1032 . 1 1 A 92 92 ALA CA C 92 51.990 51.941 0.049 2
1 1033 . 1 1 A 92 92 ALA CB C 92 23.056 22.039 1.017 2
1 1034 . 1 1 A 92 92 ALA N N 92 123.885 122.454 1.431 2
1 1035 . 1 1 A 93 93 THR H H 93 8.466 8.708 -0.242 2
1 1036 . 1 1 A 93 93 THR HA H 93 5.623 5.165 0.458 2
1 1041 . 1 1 A 93 93 THR C C 93 174.366 174.218 0.148 2
1 1042 . 1 1 A 93 93 THR CA C 93 60.154 60.605 -0.451 2
1 1043 . 1 1 A 93 93 THR CB C 93 71.657 70.250 1.407 2
1 1045 . 1 1 A 93 93 THR N N 93 112.591 115.052 -2.461 2
1 1046 . 1 1 A 94 94 GLY H H 94 8.657 8.913 -0.256 2
1 1047 . 1 1 A 94 94 GLY HA2 H 94 4.483 4.246 0.237 2
1 1048 . 1 1 A 94 94 GLY HA3 H 94 3.625 4.256 -0.631 2
1 1049 . 1 1 A 94 94 GLY C C 94 170.518 173.465 -2.947 2
1 1050 . 1 1 A 94 94 GLY CA C 94 44.849 45.070 -0.221 2
1 1051 . 1 1 A 94 94 GLY N N 94 111.375 110.995 0.380 2
1 1052 . 1 1 A 95 95 GLN H H 95 8.667 8.730 -0.063 2
1 1053 . 1 1 A 95 95 GLN HA H 95 5.491 4.348 1.143 2
1 1060 . 1 1 A 95 95 GLN C C 95 176.226 175.329 0.897 2
1 1061 . 1 1 A 95 95 GLN CA C 95 54.000 56.591 -2.591 2
1 1062 . 1 1 A 95 95 GLN CB C 95 32.822 29.343 3.479 2
1 1064 . 1 1 A 95 95 GLN N N 95 120.893 126.217 -5.324 2
1 1066 . 1 1 A 96 96 THR H H 96 8.609 8.572 0.037 2
1 1067 . 1 1 A 96 96 THR HA H 96 4.384 4.626 -0.242 2
1 1072 . 1 1 A 96 96 THR C C 96 175.194 174.421 0.773 2
1 1073 . 1 1 A 96 96 THR CA C 96 60.783 61.407 -0.624 2
1 1074 . 1 1 A 96 96 THR CB C 96 70.198 71.309 -1.111 2
1 1076 . 1 1 A 96 96 THR N N 96 115.777 116.196 -0.419 2
1 1077 . 1 1 A 97 97 ALA H H 97 8.009 8.263 -0.254 2
1 1078 . 1 1 A 97 97 ALA HA H 97 4.186 4.486 -0.299 2
1 1082 . 1 1 A 97 97 ALA C C 97 176.174 177.184 -1.010 2
1 1083 . 1 1 A 97 97 ALA CA C 97 52.077 51.552 0.525 2
1 1084 . 1 1 A 97 97 ALA CB C 97 19.001 19.705 -0.704 2
1 1085 . 1 1 A 97 97 ALA N N 97 120.015 123.016 -3.001 2
1 1086 . 1 1 A 98 98 CYS H H 98 8.239 8.655 -0.416 2
1 1087 . 1 1 A 98 98 CYS HA H 98 4.705 4.832 -0.127 2
1 1090 . 1 1 A 98 98 CYS C C 98 173.203 174.319 -1.116 2
1 1091 . 1 1 A 98 98 CYS CA C 98 56.644 57.341 -0.697 2
1 1092 . 1 1 A 98 98 CYS CB C 98 27.357 28.358 -1.001 2
1 1093 . 1 1 A 98 98 CYS N N 98 116.874 119.879 -3.005 2
1 1094 . 1 1 A 99 99 PRO HA H 99 4.421 4.521 -0.101 2
1 1101 . 1 1 A 99 99 PRO CA C 99 63.337 63.798 -0.461 2
1 1102 . 1 1 A 99 99 PRO CB C 99 32.132 31.790 0.342 2
1 1105 . 1 1 A 100 100 SER H H 100 8.463 8.081 0.382 2
1 1106 . 1 1 A 100 100 SER HA H 100 4.470 4.528 -0.058 2
1 1109 . 1 1 A 100 100 SER CA C 100 58.453 58.775 -0.321 2
1 1110 . 1 1 A 100 100 SER CB C 100 64.023 64.219 -0.195 2
1 1111 . 1 1 A 100 100 SER N N 100 116.426 113.895 2.531 2
1 1112 . 1 1 A 101 101 GLY H H 101 8.237 8.195 0.042 2
1 1113 . 1 1 A 101 101 GLY HA2 H 101 4.165 4.108 0.057 2
1 1114 . 1 1 A 101 101 GLY HA3 H 101 4.100 4.108 -0.008 2
1 1115 . 1 1 A 101 101 GLY CA C 101 44.647 44.804 -0.157 2
1 1116 . 1 1 A 101 101 GLY N N 101 110.731 109.169 1.562 2
1 1117 . 1 1 A 102 102 PRO HA H 102 4.484 4.553 -0.069 2
1 1123 . 1 1 A 102 102 PRO CA C 102 63.069 63.449 -0.380 2
1 1124 . 1 1 A 102 102 PRO CB C 102 32.189 31.899 0.290 2
1 1127 . 1 1 A 103 103 SER H H 103 8.540 8.339 0.201 2
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