data_15424_sparta save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 15424 _Entry.PDB_ID 2KB0 _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 12 _Entity_delta_chem_shifts.Best_conformer 1 _Entity_delta_chem_shifts.ID 1 loop_ _Delta_CS.Assigned_chem_shift_list_ID _Delta_CS.Atom_chem_shift_ID _Delta_CS.Assembly_atom_ID _Delta_CS.Conformer_ID _Delta_CS.Entity_assembly_ID _Delta_CS.Entity_ID _Delta_CS.PDB_asym_ID _Delta_CS.Comp_index_ID _Delta_CS.Seq_ID _Delta_CS.Comp_ID _Delta_CS.Atom_ID _Delta_CS.Atom_type _Delta_CS.Auth_seq_ID _Delta_CS.Original_CS_value _Delta_CS.Sparta_CS_value _Delta_CS.Delta_CS_value _Delta_CS.Entity_delta_chem_shifts_ID 1 9 . 1 1 1 A 2 2 GLN H H 2 8.458 8.046 0.412 1 1 10 . 1 1 1 A 2 2 GLN HA H 2 4.330 4.324 0.006 1 1 17 . 1 1 1 A 2 2 GLN C C 2 176.274 175.696 0.578 1 1 18 . 1 1 1 A 2 2 GLN CA C 2 55.806 58.255 -2.449 1 1 19 . 1 1 1 A 2 2 GLN CB C 2 32.011 29.517 2.494 1 1 21 . 1 1 1 A 2 2 GLN N N 2 121.530 116.938 4.592 1 1 23 . 1 1 1 A 3 3 THR H H 3 7.618 7.781 -0.163 1 1 24 . 1 1 1 A 3 3 THR HA H 3 4.683 4.882 -0.199 1 1 29 . 1 1 1 A 3 3 THR C C 3 173.331 172.186 1.145 1 1 30 . 1 1 1 A 3 3 THR CA C 3 61.640 59.938 1.702 1 1 31 . 1 1 1 A 3 3 THR CB C 3 70.160 72.189 -2.029 1 1 33 . 1 1 1 A 3 3 THR N N 3 120.510 110.724 9.786 1 1 34 . 1 1 1 A 4 4 ILE H H 4 9.077 8.506 0.571 1 1 35 . 1 1 1 A 4 4 ILE HA H 4 4.418 4.571 -0.153 1 1 38 . 1 1 1 A 4 4 ILE C C 4 173.824 174.653 -0.829 1 1 39 . 1 1 1 A 4 4 ILE CA C 4 59.775 60.427 -0.652 1 1 40 . 1 1 1 A 4 4 ILE CB C 4 40.441 40.209 0.232 1 1 44 . 1 1 1 A 4 4 ILE N N 4 127.486 124.631 2.855 1 1 45 . 1 1 1 A 5 5 LYS H H 5 10.666 8.871 1.795 1 1 46 . 1 1 1 A 5 5 LYS HA H 5 4.773 4.890 -0.117 1 1 47 . 1 1 1 A 5 5 LYS C C 5 174.398 175.309 -0.911 1 1 48 . 1 1 1 A 5 5 LYS CA C 5 56.175 55.303 0.872 1 1 49 . 1 1 1 A 5 5 LYS CB C 5 31.965 34.070 -2.105 1 1 52 . 1 1 1 A 5 5 LYS N N 5 131.626 126.976 4.650 1 1 53 . 1 1 1 A 6 6 CYS H H 6 9.473 8.369 1.104 1 1 54 . 1 1 1 A 6 6 CYS HA H 6 5.580 4.963 0.617 1 1 57 . 1 1 1 A 6 6 CYS C C 6 172.210 172.752 -0.542 1 1 58 . 1 1 1 A 6 6 CYS CA C 6 56.195 57.246 -1.051 1 1 59 . 1 1 1 A 6 6 CYS CB C 6 28.604 30.366 -1.762 1 1 60 . 1 1 1 A 6 6 CYS N N 6 131.522 123.336 8.186 1 1 61 . 1 1 1 A 7 7 VAL H H 7 7.607 8.087 -0.480 1 1 62 . 1 1 1 A 7 7 VAL HA H 7 5.014 4.776 0.238 1 1 70 . 1 1 1 A 7 7 VAL C C 7 174.077 174.868 -0.791 1 1 71 . 1 1 1 A 7 7 VAL CA C 7 60.575 61.247 -0.672 1 1 72 . 1 1 1 A 7 7 VAL CB C 7 33.100 34.189 -1.089 1 1 74 . 1 1 1 A 7 7 VAL N N 7 128.326 125.811 2.515 1 1 75 . 1 1 1 A 8 8 VAL H H 8 8.566 8.592 -0.026 1 1 76 . 1 1 1 A 8 8 VAL HA H 8 4.784 4.965 -0.181 1 1 84 . 1 1 1 A 8 8 VAL C C 8 174.443 174.934 -0.491 1 1 85 . 1 1 1 A 8 8 VAL CA C 8 61.573 60.947 0.626 1 1 86 . 1 1 1 A 8 8 VAL CB C 8 32.367 33.707 -1.340 1 1 88 . 1 1 1 A 8 8 VAL N N 8 127.481 126.883 0.598 1 1 89 . 1 1 1 A 9 9 VAL H H 9 8.923 8.525 0.398 1 1 90 . 1 1 1 A 9 9 VAL HA H 9 4.419 4.816 -0.397 1 1 98 . 1 1 1 A 9 9 VAL C C 9 173.171 173.544 -0.373 1 1 99 . 1 1 1 A 9 9 VAL CA C 9 58.397 60.142 -1.745 1 1 100 . 1 1 1 A 9 9 VAL CB C 9 35.085 35.290 -0.205 1 1 102 . 1 1 1 A 9 9 VAL N N 9 116.900 124.926 -8.026 1 1 103 . 1 1 1 A 10 10 GLY H H 10 6.267 8.687 -2.420 1 1 104 . 1 1 1 A 10 10 GLY HA2 H 10 4.159 4.257 -0.098 1 1 105 . 1 1 1 A 10 10 GLY HA3 H 10 1.722 4.392 -2.670 1 1 106 . 1 1 1 A 10 10 GLY C C 10 172.378 171.813 0.565 1 1 107 . 1 1 1 A 10 10 GLY CA C 10 42.935 44.458 -1.523 1 1 108 . 1 1 1 A 10 10 GLY N N 10 106.077 113.469 -7.392 1 1 109 . 1 1 1 A 11 11 ASP H H 11 8.399 8.258 0.141 1 1 110 . 1 1 1 A 11 11 ASP HA H 11 4.737 5.221 -0.484 1 1 112 . 1 1 1 A 11 11 ASP C C 11 177.486 176.645 0.841 1 1 113 . 1 1 1 A 11 11 ASP CA C 11 55.635 54.360 1.275 1 1 114 . 1 1 1 A 11 11 ASP CB C 11 41.076 41.865 -0.789 1 1 115 . 1 1 1 A 11 11 ASP N N 11 119.142 120.516 -1.374 1 1 116 . 1 1 1 A 12 12 GLY H H 12 8.902 8.773 0.129 1 1 117 . 1 1 1 A 12 12 GLY HA2 H 12 3.954 3.870 0.084 1 1 118 . 1 1 1 A 12 12 GLY HA3 H 12 3.718 3.879 -0.161 1 1 119 . 1 1 1 A 12 12 GLY C C 12 173.624 174.456 -0.832 1 1 120 . 1 1 1 A 12 12 GLY CA C 12 46.955 47.209 -0.254 1 1 121 . 1 1 1 A 12 12 GLY N N 12 104.688 115.675 -10.987 1 1 122 . 1 1 1 A 13 13 ALA H H 13 10.666 8.242 2.424 1 1 123 . 1 1 1 A 13 13 ALA HA H 13 4.067 4.201 -0.134 1 1 127 . 1 1 1 A 13 13 ALA CA C 13 53.455 52.651 0.804 1 1 128 . 1 1 1 A 13 13 ALA CB C 13 15.706 17.817 -2.111 1 1 129 . 1 1 1 A 13 13 ALA N N 13 123.135 123.131 0.004 1 1 130 . 1 1 1 A 14 14 VAL H H 14 7.663 8.233 -0.570 1 1 131 . 1 1 1 A 14 14 VAL HA H 14 4.146 3.697 0.449 1 1 132 . 1 1 1 A 14 14 VAL C C 14 175.007 177.000 -1.993 1 1 133 . 1 1 1 A 14 14 VAL CA C 14 62.015 65.292 -3.277 1 1 134 . 1 1 1 A 14 14 VAL N N 14 118.803 123.130 -4.327 1 1 135 . 1 1 1 A 15 15 GLY H H 15 8.686 8.304 0.382 1 1 136 . 1 1 1 A 15 15 GLY HA2 H 15 4.838 3.996 0.842 1 1 137 . 1 1 1 A 15 15 GLY HA3 H 15 4.312 3.998 0.314 1 1 138 . 1 1 1 A 15 15 GLY C C 15 175.934 175.185 0.749 1 1 139 . 1 1 1 A 15 15 GLY CA C 15 44.835 45.214 -0.379 1 1 140 . 1 1 1 A 15 15 GLY N N 15 110.360 110.370 -0.010 1 1 141 . 1 1 1 A 16 16 LYS H H 16 10.352 7.574 2.778 1 1 142 . 1 1 1 A 16 16 LYS HA H 16 3.575 4.010 -0.435 1 1 143 . 1 1 1 A 16 16 LYS C C 16 176.582 179.160 -2.578 1 1 144 . 1 1 1 A 16 16 LYS CA C 16 60.695 58.538 2.157 1 1 145 . 1 1 1 A 16 16 LYS CB C 16 29.661 32.325 -2.664 1 1 146 . 1 1 1 A 16 16 LYS N N 16 125.835 120.555 5.280 1 1 147 . 1 1 1 A 17 17 THR H H 17 9.024 8.099 0.925 1 1 148 . 1 1 1 A 17 17 THR HA H 17 3.930 3.837 0.093 1 1 153 . 1 1 1 A 17 17 THR C C 17 177.493 176.820 0.673 1 1 154 . 1 1 1 A 17 17 THR CA C 17 66.984 66.744 0.240 1 1 155 . 1 1 1 A 17 17 THR CB C 17 67.298 68.465 -1.167 1 1 157 . 1 1 1 A 17 17 THR N N 17 118.089 117.007 1.082 1 1 158 . 1 1 1 A 18 18 CYS H H 18 9.773 8.229 1.544 1 1 159 . 1 1 1 A 18 18 CYS HA H 18 3.580 4.123 -0.543 1 1 162 . 1 1 1 A 18 18 CYS C C 18 176.716 177.076 -0.360 1 1 163 . 1 1 1 A 18 18 CYS CA C 18 65.816 63.295 2.521 1 1 164 . 1 1 1 A 18 18 CYS CB C 18 27.655 27.327 0.328 1 1 165 . 1 1 1 A 18 18 CYS N N 18 119.747 118.351 1.396 1 1 166 . 1 1 1 A 19 19 LEU H H 19 8.195 8.010 0.185 1 1 167 . 1 1 1 A 19 19 LEU HA H 19 3.940 4.160 -0.220 1 1 174 . 1 1 1 A 19 19 LEU C C 19 177.177 178.416 -1.239 1 1 175 . 1 1 1 A 19 19 LEU CA C 19 59.366 57.895 1.471 1 1 176 . 1 1 1 A 19 19 LEU CB C 19 41.377 41.672 -0.295 1 1 178 . 1 1 1 A 19 19 LEU N N 19 121.557 123.304 -1.747 1 1 179 . 1 1 1 A 20 20 LEU H H 20 7.270 7.563 -0.293 1 1 180 . 1 1 1 A 20 20 LEU HA H 20 3.840 4.128 -0.288 1 1 189 . 1 1 1 A 20 20 LEU C C 20 180.155 178.443 1.712 1 1 190 . 1 1 1 A 20 20 LEU CA C 20 57.629 57.999 -0.370 1 1 191 . 1 1 1 A 20 20 LEU CB C 20 41.498 41.769 -0.271 1 1 194 . 1 1 1 A 20 20 LEU N N 20 117.986 119.777 -1.791 1 1 195 . 1 1 1 A 21 21 ILE H H 21 8.619 8.196 0.423 1 1 196 . 1 1 1 A 21 21 ILE HA H 21 3.090 3.596 -0.506 1 1 202 . 1 1 1 A 21 21 ILE C C 21 179.125 177.887 1.238 1 1 203 . 1 1 1 A 21 21 ILE CA C 21 66.129 65.574 0.555 1 1 204 . 1 1 1 A 21 21 ILE CB C 21 38.338 37.254 1.084 1 1 208 . 1 1 1 A 21 21 ILE N N 21 121.078 120.277 0.801 1 1 209 . 1 1 1 A 22 22 SER H H 22 8.899 8.510 0.389 1 1 210 . 1 1 1 A 22 22 SER HA H 22 4.517 4.240 0.277 1 1 213 . 1 1 1 A 22 22 SER C C 22 176.876 176.590 0.286 1 1 214 . 1 1 1 A 22 22 SER CA C 22 61.380 61.600 -0.220 1 1 215 . 1 1 1 A 22 22 SER CB C 22 63.882 62.660 1.222 1 1 216 . 1 1 1 A 22 22 SER N N 22 118.286 115.331 2.955 1 1 217 . 1 1 1 A 23 23 TYR H H 23 7.951 7.692 0.259 1 1 218 . 1 1 1 A 23 23 TYR HA H 23 4.264 4.283 -0.019 1 1 223 . 1 1 1 A 23 23 TYR C C 23 176.820 177.777 -0.957 1 1 224 . 1 1 1 A 23 23 TYR CA C 23 60.474 61.384 -0.910 1 1 225 . 1 1 1 A 23 23 TYR CB C 23 39.531 38.736 0.795 1 1 226 . 1 1 1 A 23 23 TYR N N 23 117.292 124.150 -6.858 1 1 227 . 1 1 1 A 24 24 THR H H 24 7.702 7.804 -0.102 1 1 228 . 1 1 1 A 24 24 THR HA H 24 3.614 4.079 -0.465 1 1 233 . 1 1 1 A 24 24 THR C C 24 176.500 175.260 1.240 1 1 234 . 1 1 1 A 24 24 THR CA C 24 64.095 64.774 -0.679 1 1 235 . 1 1 1 A 24 24 THR CB C 24 70.437 68.950 1.487 1 1 237 . 1 1 1 A 24 24 THR N N 24 105.659 112.637 -6.978 1 1 238 . 1 1 1 A 25 25 THR H H 25 8.080 7.441 0.639 1 1 239 . 1 1 1 A 25 25 THR HA H 25 4.556 4.394 0.162 1 1 244 . 1 1 1 A 25 25 THR C C 25 175.025 173.688 1.337 1 1 245 . 1 1 1 A 25 25 THR CA C 25 61.975 61.748 0.227 1 1 246 . 1 1 1 A 25 25 THR CB C 25 72.012 70.709 1.303 1 1 248 . 1 1 1 A 25 25 THR N N 25 109.689 113.568 -3.879 1 1 249 . 1 1 1 A 26 26 ASN H H 26 7.603 8.268 -0.665 1 1 250 . 1 1 1 A 26 26 ASN HA H 26 4.501 4.601 -0.100 1 1 253 . 1 1 1 A 26 26 ASN C C 26 173.259 173.282 -0.023 1 1 254 . 1 1 1 A 26 26 ASN CA C 26 55.218 53.952 1.266 1 1 255 . 1 1 1 A 26 26 ASN CB C 26 38.009 37.139 0.870 1 1 256 . 1 1 1 A 26 26 ASN N N 26 115.569 119.668 -4.099 1 1 257 . 1 1 1 A 27 27 LYS H H 27 7.698 7.898 -0.200 1 1 258 . 1 1 1 A 27 27 LYS HA H 27 4.431 4.243 0.188 1 1 261 . 1 1 1 A 27 27 LYS C C 27 173.500 175.512 -2.012 1 1 262 . 1 1 1 A 27 27 LYS CA C 27 55.163 55.480 -0.317 1 1 263 . 1 1 1 A 27 27 LYS CB C 27 35.034 32.466 2.568 1 1 267 . 1 1 1 A 27 27 LYS N N 27 118.253 125.474 -7.221 1 1 268 . 1 1 1 A 28 28 PHE H H 28 8.554 6.922 1.632 1 1 269 . 1 1 1 A 28 28 PHE CA C 28 55.575 60.797 -5.222 1 1 270 . 1 1 1 A 28 28 PHE CB C 28 39.322 37.830 1.492 1 1 271 . 1 1 1 A 28 28 PHE N N 28 125.682 123.111 2.571 1 1 272 . 1 1 1 A 29 29 PRO HA H 29 4.373 4.346 0.027 1 1 274 . 1 1 1 A 29 29 PRO C C 29 173.611 177.379 -3.768 1 1 275 . 1 1 1 A 29 29 PRO CA C 29 61.978 65.841 -3.863 1 1 276 . 1 1 1 A 29 29 PRO CB C 29 30.039 30.490 -0.451 1 1 279 . 1 1 1 A 30 30 SER H H 30 7.993 8.160 -0.167 1 1 280 . 1 1 1 A 30 30 SER HA H 30 4.285 4.205 0.080 1 1 283 . 1 1 1 A 30 30 SER C C 30 174.665 174.365 0.300 1 1 284 . 1 1 1 A 30 30 SER CA C 30 58.948 59.032 -0.084 1 1 285 . 1 1 1 A 30 30 SER CB C 30 64.019 61.071 2.948 1 1 286 . 1 1 1 A 30 30 SER N N 30 116.682 112.520 4.162 1 1 287 . 1 1 1 A 31 31 GLU H H 31 8.198 8.011 0.187 1 1 288 . 1 1 1 A 31 31 GLU HA H 31 4.308 4.117 0.191 1 1 292 . 1 1 1 A 31 31 GLU C C 31 175.157 176.144 -0.987 1 1 293 . 1 1 1 A 31 31 GLU CA C 31 56.846 59.139 -2.293 1 1 294 . 1 1 1 A 31 31 GLU CB C 31 30.113 29.602 0.511 1 1 296 . 1 1 1 A 31 31 GLU N N 31 120.151 120.970 -0.819 1 1 297 . 1 1 1 A 32 32 TYR H H 32 7.714 7.900 -0.186 1 1 298 . 1 1 1 A 32 32 TYR HA H 32 4.407 4.843 -0.436 1 1 302 . 1 1 1 A 32 32 TYR C C 32 173.544 173.737 -0.193 1 1 303 . 1 1 1 A 32 32 TYR CA C 32 58.368 56.581 1.787 1 1 304 . 1 1 1 A 32 32 TYR CB C 32 38.614 41.616 -3.002 1 1 305 . 1 1 1 A 32 32 TYR N N 32 118.548 119.061 -0.513 1 1 306 . 1 1 1 A 33 33 VAL H H 33 7.764 8.374 -0.610 1 1 307 . 1 1 1 A 33 33 VAL HA H 33 4.048 4.660 -0.612 1 1 315 . 1 1 1 A 33 33 VAL CA C 33 58.575 59.450 -0.875 1 1 316 . 1 1 1 A 33 33 VAL CB C 33 33.600 32.896 0.704 1 1 317 . 1 1 1 A 33 33 VAL N N 33 125.992 122.993 2.999 1 1 318 . 1 1 1 A 34 34 PRO HA H 34 4.215 4.498 -0.283 1 1 320 . 1 1 1 A 34 34 PRO C C 34 175.627 177.019 -1.392 1 1 321 . 1 1 1 A 34 34 PRO CA C 34 61.655 62.567 -0.912 1 1 322 . 1 1 1 A 34 34 PRO CB C 34 31.965 32.643 -0.678 1 1 325 . 1 1 1 A 35 35 ALA H H 35 8.503 8.496 0.007 1 1 326 . 1 1 1 A 35 35 ALA HA H 35 4.190 3.948 0.242 1 1 330 . 1 1 1 A 35 35 ALA C C 35 178.295 177.152 1.143 1 1 331 . 1 1 1 A 35 35 ALA CA C 35 54.499 54.442 0.057 1 1 332 . 1 1 1 A 35 35 ALA CB C 35 18.235 18.812 -0.577 1 1 333 . 1 1 1 A 35 35 ALA N N 35 123.063 123.551 -0.488 1 1 334 . 1 1 1 A 36 36 VAL H H 36 8.032 7.592 0.440 1 1 335 . 1 1 1 A 36 36 VAL HA H 36 4.258 3.960 0.298 1 1 340 . 1 1 1 A 36 36 VAL CA C 36 60.200 62.033 -1.833 1 1 341 . 1 1 1 A 36 36 VAL CB C 36 29.879 32.586 -2.707 1 1 342 . 1 1 1 A 36 36 VAL N N 36 116.770 114.844 1.926 1 1 344 . 1 1 1 A 37 37 PHE C C 37 174.502 174.667 -0.165 1 1 345 . 1 1 1 A 37 37 PHE CA C 37 56.175 57.031 -0.856 1 1 346 . 1 1 1 A 37 37 PHE CB C 37 40.231 40.645 -0.414 1 1 347 . 1 1 1 A 38 38 ASP H H 38 7.602 8.912 -1.310 1 1 348 . 1 1 1 A 38 38 ASP HA H 38 4.343 5.053 -0.710 1 1 351 . 1 1 1 A 38 38 ASP C C 38 174.386 175.106 -0.720 1 1 352 . 1 1 1 A 38 38 ASP CA C 38 54.323 52.911 1.412 1 1 353 . 1 1 1 A 38 38 ASP CB C 38 40.815 43.735 -2.920 1 1 354 . 1 1 1 A 38 38 ASP N N 38 125.774 122.759 3.015 1 1 355 . 1 1 1 A 39 39 ASN H H 39 7.917 8.427 -0.510 1 1 356 . 1 1 1 A 39 39 ASN HA H 39 4.303 5.055 -0.752 1 1 360 . 1 1 1 A 39 39 ASN C C 39 173.897 174.052 -0.155 1 1 361 . 1 1 1 A 39 39 ASN CA C 39 54.317 51.975 2.342 1 1 362 . 1 1 1 A 39 39 ASN CB C 39 38.180 40.648 -2.468 1 1 363 . 1 1 1 A 39 39 ASN N N 39 117.429 118.072 -0.643 1 1 365 . 1 1 1 A 40 40 TYR H H 40 7.726 9.027 -1.301 1 1 366 . 1 1 1 A 40 40 TYR HA H 40 4.513 5.339 -0.826 1 1 370 . 1 1 1 A 40 40 TYR C C 40 172.772 174.693 -1.921 1 1 371 . 1 1 1 A 40 40 TYR CA C 40 57.335 56.866 0.469 1 1 372 . 1 1 1 A 40 40 TYR CB C 40 42.956 42.579 0.377 1 1 373 . 1 1 1 A 40 40 TYR N N 40 122.998 119.388 3.610 1 1 374 . 1 1 1 A 41 41 ALA H H 41 7.651 8.955 -1.304 1 1 375 . 1 1 1 A 41 41 ALA HA H 41 5.636 5.494 0.142 1 1 379 . 1 1 1 A 41 41 ALA C C 41 175.778 176.695 -0.917 1 1 380 . 1 1 1 A 41 41 ALA CA C 41 50.456 50.103 0.353 1 1 381 . 1 1 1 A 41 41 ALA CB C 41 20.492 21.685 -1.193 1 1 382 . 1 1 1 A 41 41 ALA N N 41 127.028 126.413 0.615 1 1 383 . 1 1 1 A 42 42 VAL H H 42 8.781 8.868 -0.087 1 1 384 . 1 1 1 A 42 42 VAL HA H 42 4.564 5.187 -0.623 1 1 389 . 1 1 1 A 42 42 VAL C C 42 173.852 174.560 -0.708 1 1 390 . 1 1 1 A 42 42 VAL CA C 42 59.278 59.416 -0.138 1 1 391 . 1 1 1 A 42 42 VAL CB C 42 35.342 35.976 -0.634 1 1 393 . 1 1 1 A 42 42 VAL N N 42 117.471 116.471 1.000 1 1 394 . 1 1 1 A 43 43 THR H H 43 8.566 9.012 -0.446 1 1 395 . 1 1 1 A 43 43 THR HA H 43 5.124 5.462 -0.338 1 1 400 . 1 1 1 A 43 43 THR C C 43 174.210 173.595 0.615 1 1 401 . 1 1 1 A 43 43 THR CA C 43 62.434 59.653 2.781 1 1 402 . 1 1 1 A 43 43 THR CB C 43 69.296 71.885 -2.589 1 1 404 . 1 1 1 A 43 43 THR N N 43 120.850 115.450 5.400 1 1 405 . 1 1 1 A 44 44 VAL H H 44 9.442 8.810 0.632 1 1 406 . 1 1 1 A 44 44 VAL HA H 44 4.367 4.766 -0.399 1 1 411 . 1 1 1 A 44 44 VAL C C 44 174.061 174.857 -0.796 1 1 412 . 1 1 1 A 44 44 VAL CA C 44 60.639 60.718 -0.079 1 1 413 . 1 1 1 A 44 44 VAL CB C 44 35.053 34.904 0.149 1 1 415 . 1 1 1 A 44 44 VAL N N 44 127.764 122.057 5.707 1 1 416 . 1 1 1 A 45 45 MET H H 45 8.513 8.554 -0.041 1 1 417 . 1 1 1 A 45 45 MET HA H 45 5.272 4.990 0.282 1 1 421 . 1 1 1 A 45 45 MET C C 45 176.395 175.844 0.551 1 1 422 . 1 1 1 A 45 45 MET CA C 45 53.264 54.214 -0.950 1 1 423 . 1 1 1 A 45 45 MET CB C 45 31.692 32.393 -0.701 1 1 424 . 1 1 1 A 45 45 MET N N 45 123.063 124.568 -1.505 1 1 425 . 1 1 1 A 46 46 ILE H H 46 9.103 8.766 0.337 1 1 426 . 1 1 1 A 46 46 ILE HA H 46 4.382 4.559 -0.177 1 1 434 . 1 1 1 A 46 46 ILE C C 46 177.661 176.422 1.239 1 1 435 . 1 1 1 A 46 46 ILE CA C 46 59.755 60.133 -0.378 1 1 436 . 1 1 1 A 46 46 ILE CB C 46 38.913 40.662 -1.749 1 1 440 . 1 1 1 A 46 46 ILE N N 46 125.267 125.097 0.170 1 1 441 . 1 1 1 A 47 47 GLY H H 47 9.385 9.754 -0.369 1 1 442 . 1 1 1 A 47 47 GLY HA2 H 47 4.755 3.880 0.875 1 1 443 . 1 1 1 A 47 47 GLY HA3 H 47 3.851 3.890 -0.039 1 1 444 . 1 1 1 A 47 47 GLY C C 47 175.195 175.338 -0.143 1 1 445 . 1 1 1 A 47 47 GLY CA C 47 47.015 46.797 0.218 1 1 446 . 1 1 1 A 47 47 GLY N N 47 119.278 117.760 1.518 1 1 447 . 1 1 1 A 48 48 GLY H H 48 8.606 8.662 -0.056 1 1 448 . 1 1 1 A 48 48 GLY HA2 H 48 4.140 3.887 0.253 1 1 449 . 1 1 1 A 48 48 GLY HA3 H 48 3.623 3.891 -0.268 1 1 450 . 1 1 1 A 48 48 GLY C C 48 172.844 174.062 -1.218 1 1 451 . 1 1 1 A 48 48 GLY CA C 48 44.889 45.375 -0.486 1 1 452 . 1 1 1 A 48 48 GLY N N 48 104.656 107.914 -3.258 1 1 453 . 1 1 1 A 49 49 GLU H H 49 7.722 9.657 -1.935 1 1 454 . 1 1 1 A 49 49 GLU HA H 49 4.182 4.606 -0.424 1 1 457 . 1 1 1 A 49 49 GLU CA C 49 52.336 53.655 -1.319 1 1 458 . 1 1 1 A 49 49 GLU CB C 49 31.160 30.391 0.769 1 1 459 . 1 1 1 A 49 49 GLU N N 49 120.543 121.287 -0.744 1 1 460 . 1 1 1 A 50 50 PRO HA H 50 4.977 4.516 0.461 1 1 462 . 1 1 1 A 50 50 PRO C C 50 177.922 175.232 2.690 1 1 463 . 1 1 1 A 50 50 PRO CA C 50 62.080 62.955 -0.875 1 1 464 . 1 1 1 A 50 50 PRO CB C 50 32.147 32.042 0.105 1 1 465 . 1 1 1 A 51 51 TYR H H 51 9.148 8.445 0.703 1 1 466 . 1 1 1 A 51 51 TYR HA H 51 4.683 5.006 -0.323 1 1 470 . 1 1 1 A 51 51 TYR C C 51 176.400 175.975 0.425 1 1 471 . 1 1 1 A 51 51 TYR CA C 51 57.344 56.545 0.799 1 1 472 . 1 1 1 A 51 51 TYR CB C 51 41.669 41.731 -0.062 1 1 473 . 1 1 1 A 51 51 TYR N N 51 121.300 124.204 -2.904 1 1 474 . 1 1 1 A 52 52 THR H H 52 8.889 8.862 0.027 1 1 475 . 1 1 1 A 52 52 THR HA H 52 4.113 4.860 -0.747 1 1 477 . 1 1 1 A 52 52 THR C C 52 172.149 173.823 -1.674 1 1 478 . 1 1 1 A 52 52 THR CA C 52 62.400 61.225 1.175 1 1 479 . 1 1 1 A 52 52 THR CB C 52 69.447 69.950 -0.503 1 1 481 . 1 1 1 A 52 52 THR N N 52 119.482 115.697 3.785 1 1 482 . 1 1 1 A 53 53 LEU H H 53 9.480 9.084 0.396 1 1 483 . 1 1 1 A 53 53 LEU HA H 53 5.030 5.149 -0.119 1 1 491 . 1 1 1 A 53 53 LEU C C 53 174.307 174.946 -0.639 1 1 492 . 1 1 1 A 53 53 LEU CA C 53 53.375 53.670 -0.295 1 1 493 . 1 1 1 A 53 53 LEU CB C 53 44.216 45.180 -0.964 1 1 496 . 1 1 1 A 53 53 LEU N N 53 131.364 124.744 6.620 1 1 497 . 1 1 1 A 54 54 GLY H H 54 9.749 8.777 0.972 1 1 498 . 1 1 1 A 54 54 GLY HA2 H 54 4.571 4.261 0.310 1 1 499 . 1 1 1 A 54 54 GLY HA3 H 54 3.577 4.273 -0.696 1 1 500 . 1 1 1 A 54 54 GLY C C 54 171.929 172.301 -0.372 1 1 501 . 1 1 1 A 54 54 GLY CA C 54 45.195 44.742 0.453 1 1 502 . 1 1 1 A 54 54 GLY N N 54 115.640 114.841 0.799 1 1 503 . 1 1 1 A 55 55 LEU H H 55 8.623 9.213 -0.590 1 1 504 . 1 1 1 A 55 55 LEU HA H 55 5.104 5.085 0.019 1 1 510 . 1 1 1 A 55 55 LEU C C 55 176.000 175.173 0.827 1 1 511 . 1 1 1 A 55 55 LEU CA C 55 54.202 53.259 0.943 1 1 512 . 1 1 1 A 55 55 LEU CB C 55 44.057 43.224 0.833 1 1 515 . 1 1 1 A 55 55 LEU N N 55 125.141 126.637 -1.496 1 1 516 . 1 1 1 A 56 56 PHE H H 56 8.735 8.356 0.379 1 1 517 . 1 1 1 A 56 56 PHE HA H 56 4.821 5.353 -0.532 1 1 521 . 1 1 1 A 56 56 PHE C C 56 173.130 173.846 -0.716 1 1 522 . 1 1 1 A 56 56 PHE CA C 56 56.833 56.175 0.658 1 1 523 . 1 1 1 A 56 56 PHE CB C 56 40.776 42.277 -1.501 1 1 524 . 1 1 1 A 56 56 PHE N N 56 122.065 125.896 -3.831 1 1 525 . 1 1 1 A 57 57 ASP H H 57 9.093 8.090 1.003 1 1 526 . 1 1 1 A 57 57 ASP HA H 57 4.877 5.102 -0.225 1 1 529 . 1 1 1 A 57 57 ASP C C 57 175.941 174.826 1.115 1 1 530 . 1 1 1 A 57 57 ASP CA C 57 51.755 52.925 -1.170 1 1 531 . 1 1 1 A 57 57 ASP CB C 57 43.082 44.640 -1.558 1 1 532 . 1 1 1 A 57 57 ASP N N 57 124.050 128.045 -3.995 1 1 533 . 1 1 1 A 58 58 THR H H 58 8.621 8.802 -0.181 1 1 534 . 1 1 1 A 58 58 THR HA H 58 3.905 4.400 -0.495 1 1 535 . 1 1 1 A 58 58 THR C C 58 172.124 174.232 -2.108 1 1 536 . 1 1 1 A 58 58 THR CA C 58 60.335 63.119 -2.784 1 1 537 . 1 1 1 A 58 58 THR CB C 58 74.469 69.573 4.896 1 1 538 . 1 1 1 A 58 58 THR N N 58 109.327 119.723 -10.396 1 1 539 . 1 1 1 A 59 59 ALA H H 59 8.695 8.446 0.249 1 1 540 . 1 1 1 A 59 59 ALA HA H 59 4.565 4.359 0.206 1 1 544 . 1 1 1 A 59 59 ALA CA C 59 50.475 50.784 -0.309 1 1 545 . 1 1 1 A 59 59 ALA CB C 59 18.224 19.711 -1.487 1 1 546 . 1 1 1 A 59 59 ALA N N 59 123.129 127.576 -4.447 1 1 547 . 1 1 1 A 60 60 GLY H H 60 8.630 8.501 0.129 1 1 548 . 1 1 1 A 60 60 GLY HA2 H 60 4.420 3.855 0.565 1 1 549 . 1 1 1 A 60 60 GLY HA3 H 60 3.902 3.868 0.034 1 1 550 . 1 1 1 A 60 60 GLY C C 60 173.122 174.429 -1.307 1 1 551 . 1 1 1 A 60 60 GLY CA C 60 46.178 47.075 -0.897 1 1 552 . 1 1 1 A 60 60 GLY N N 60 109.449 111.926 -2.477 1 1 553 . 1 1 1 A 61 61 GLN H H 61 8.553 8.798 -0.245 1 1 554 . 1 1 1 A 61 61 GLN HA H 61 4.492 4.186 0.306 1 1 560 . 1 1 1 A 61 61 GLN C C 61 177.014 175.852 1.162 1 1 561 . 1 1 1 A 61 61 GLN CA C 61 56.895 58.210 -1.315 1 1 562 . 1 1 1 A 61 61 GLN CB C 61 28.863 27.536 1.327 1 1 564 . 1 1 1 A 61 61 GLN N N 61 118.471 122.490 -4.019 1 1 566 . 1 1 1 A 62 62 GLU H H 62 9.082 8.696 0.386 1 1 567 . 1 1 1 A 62 62 GLU HA H 62 4.292 4.262 0.030 1 1 570 . 1 1 1 A 62 62 GLU C C 62 178.273 177.232 1.041 1 1 571 . 1 1 1 A 62 62 GLU CA C 62 58.361 58.870 -0.509 1 1 572 . 1 1 1 A 62 62 GLU CB C 62 28.579 29.438 -0.859 1 1 574 . 1 1 1 A 62 62 GLU N N 62 122.087 121.121 0.966 1 1 575 . 1 1 1 A 63 63 ASP H H 63 8.636 9.558 -0.922 1 1 576 . 1 1 1 A 63 63 ASP HA H 63 4.348 4.296 0.052 1 1 579 . 1 1 1 A 63 63 ASP C C 63 176.712 177.320 -0.608 1 1 580 . 1 1 1 A 63 63 ASP CA C 63 55.587 56.759 -1.172 1 1 581 . 1 1 1 A 63 63 ASP CB C 63 39.571 40.173 -0.602 1 1 582 . 1 1 1 A 63 63 ASP N N 63 117.009 119.063 -2.054 1 1 583 . 1 1 1 A 64 64 TYR H H 64 8.061 7.832 0.229 1 1 584 . 1 1 1 A 64 64 TYR HA H 64 4.609 4.635 -0.026 1 1 587 . 1 1 1 A 64 64 TYR C C 64 176.254 174.675 1.579 1 1 588 . 1 1 1 A 64 64 TYR CA C 64 58.231 57.705 0.526 1 1 589 . 1 1 1 A 64 64 TYR CB C 64 38.650 38.565 0.085 1 1 590 . 1 1 1 A 64 64 TYR N N 64 117.063 116.609 0.454 1 1 591 . 1 1 1 A 65 65 ASP H H 65 8.064 8.506 -0.442 1 1 592 . 1 1 1 A 65 65 ASP HA H 65 4.439 4.342 0.097 1 1 594 . 1 1 1 A 65 65 ASP C C 65 175.163 176.622 -1.459 1 1 595 . 1 1 1 A 65 65 ASP CA C 65 57.971 54.800 3.171 1 1 596 . 1 1 1 A 65 65 ASP N N 65 122.196 119.152 3.044 1 1 597 . 1 1 1 A 66 66 ARG H H 66 8.537 8.044 0.493 1 1 598 . 1 1 1 A 66 66 ARG HA H 66 4.345 4.003 0.342 1 1 599 . 1 1 1 A 66 66 ARG C C 66 175.009 176.063 -1.054 1 1 600 . 1 1 1 A 66 66 ARG CA C 66 56.217 58.666 -2.449 1 1 601 . 1 1 1 A 66 66 ARG N N 66 122.224 121.060 1.164 1 1 602 . 1 1 1 A 67 67 LEU H H 67 8.336 7.864 0.472 1 1 603 . 1 1 1 A 67 67 LEU HA H 67 4.037 4.017 0.020 1 1 604 . 1 1 1 A 67 67 LEU CA C 67 61.694 55.637 6.057 1 1 605 . 1 1 1 A 67 67 LEU N N 67 117.734 120.003 -2.269 1 1 607 . 1 1 1 A 69 69 PRO C C 69 178.122 176.878 1.244 1 1 608 . 1 1 1 A 69 69 PRO CA C 69 63.575 65.540 -1.965 1 1 611 . 1 1 1 A 70 70 LEU H H 70 7.470 7.836 -0.366 1 1 612 . 1 1 1 A 70 70 LEU HA H 70 4.031 3.966 0.065 1 1 621 . 1 1 1 A 70 70 LEU C C 70 178.756 176.635 2.121 1 1 622 . 1 1 1 A 70 70 LEU CA C 70 56.944 56.469 0.475 1 1 623 . 1 1 1 A 70 70 LEU CB C 70 40.002 40.540 -0.538 1 1 626 . 1 1 1 A 70 70 LEU N N 70 118.335 118.183 0.152 1 1 627 . 1 1 1 A 71 71 SER H H 71 7.882 8.546 -0.664 1 1 628 . 1 1 1 A 71 71 SER HA H 71 4.461 4.050 0.411 1 1 630 . 1 1 1 A 71 71 SER C C 71 179.200 173.111 6.089 1 1 631 . 1 1 1 A 71 71 SER CA C 71 59.710 59.489 0.221 1 1 632 . 1 1 1 A 71 71 SER CB C 71 63.841 62.647 1.194 1 1 633 . 1 1 1 A 71 71 SER N N 71 111.784 113.269 -1.485 1 1 634 . 1 1 1 A 72 72 TYR H H 72 7.362 8.544 -1.182 1 1 635 . 1 1 1 A 72 72 TYR CA C 72 56.002 55.341 0.661 1 1 636 . 1 1 1 A 72 72 TYR CB C 72 35.144 38.785 -3.641 1 1 637 . 1 1 1 A 72 72 TYR N N 72 119.959 119.849 0.110 1 1 638 . 1 1 1 A 73 73 PRO HA H 73 4.231 4.544 -0.313 1 1 639 . 1 1 1 A 73 73 PRO C C 73 176.096 177.244 -1.148 1 1 640 . 1 1 1 A 73 73 PRO CA C 73 66.055 63.364 2.691 1 1 641 . 1 1 1 A 73 73 PRO CB C 73 35.726 32.475 3.251 1 1 642 . 1 1 1 A 74 74 GLN H H 74 8.995 8.871 0.124 1 1 643 . 1 1 1 A 74 74 GLN HA H 74 3.790 4.418 -0.628 1 1 647 . 1 1 1 A 74 74 GLN C C 74 174.686 175.819 -1.133 1 1 648 . 1 1 1 A 74 74 GLN CA C 74 57.416 55.862 1.554 1 1 649 . 1 1 1 A 74 74 GLN CB C 74 25.352 29.379 -4.027 1 1 651 . 1 1 1 A 74 74 GLN N N 74 114.768 119.371 -4.603 1 1 653 . 1 1 1 A 75 75 THR H H 75 7.504 7.523 -0.019 1 1 654 . 1 1 1 A 75 75 THR HA H 75 3.172 4.113 -0.941 1 1 659 . 1 1 1 A 75 75 THR C C 75 173.589 174.068 -0.479 1 1 660 . 1 1 1 A 75 75 THR CA C 75 67.162 64.003 3.159 1 1 661 . 1 1 1 A 75 75 THR CB C 75 61.122 68.803 -7.681 1 1 663 . 1 1 1 A 75 75 THR N N 75 116.725 115.844 0.881 1 1 664 . 1 1 1 A 76 76 ASP H H 76 8.865 8.529 0.336 1 1 665 . 1 1 1 A 76 76 ASP HA H 76 4.873 4.646 0.227 1 1 668 . 1 1 1 A 76 76 ASP C C 76 177.600 174.959 2.641 1 1 669 . 1 1 1 A 76 76 ASP CA C 76 56.105 54.555 1.550 1 1 670 . 1 1 1 A 76 76 ASP CB C 76 44.016 41.998 2.018 1 1 671 . 1 1 1 A 76 76 ASP N N 76 124.192 126.045 -1.853 1 1 672 . 1 1 1 A 77 77 VAL H H 77 7.578 7.402 0.176 1 1 673 . 1 1 1 A 77 77 VAL HA H 77 4.706 4.584 0.122 1 1 681 . 1 1 1 A 77 77 VAL C C 77 171.266 174.190 -2.924 1 1 682 . 1 1 1 A 77 77 VAL CA C 77 60.346 60.853 -0.507 1 1 683 . 1 1 1 A 77 77 VAL CB C 77 32.362 35.146 -2.784 1 1 685 . 1 1 1 A 77 77 VAL N N 77 116.060 118.050 -1.990 1 1 686 . 1 1 1 A 78 78 PHE H H 78 8.287 8.821 -0.534 1 1 687 . 1 1 1 A 78 78 PHE HA H 78 5.646 5.229 0.417 1 1 690 . 1 1 1 A 78 78 PHE C C 78 175.799 174.678 1.121 1 1 691 . 1 1 1 A 78 78 PHE CA C 78 56.686 55.185 1.501 1 1 692 . 1 1 1 A 78 78 PHE CB C 78 43.413 41.115 2.298 1 1 693 . 1 1 1 A 78 78 PHE N N 78 121.935 125.611 -3.676 1 1 694 . 1 1 1 A 79 79 LEU H H 79 8.937 8.742 0.195 1 1 695 . 1 1 1 A 79 79 LEU HA H 79 4.691 5.294 -0.603 1 1 701 . 1 1 1 A 79 79 LEU C C 79 174.059 175.963 -1.904 1 1 702 . 1 1 1 A 79 79 LEU CA C 79 53.575 53.464 0.111 1 1 703 . 1 1 1 A 79 79 LEU CB C 79 41.184 44.848 -3.664 1 1 706 . 1 1 1 A 79 79 LEU N N 79 119.060 122.933 -3.873 1 1 707 . 1 1 1 A 80 80 VAL H H 80 8.828 8.934 -0.106 1 1 708 . 1 1 1 A 80 80 VAL HA H 80 4.138 5.005 -0.867 1 1 716 . 1 1 1 A 80 80 VAL C C 80 174.535 173.675 0.860 1 1 717 . 1 1 1 A 80 80 VAL CA C 80 61.395 59.243 2.152 1 1 718 . 1 1 1 A 80 80 VAL CB C 80 30.602 35.163 -4.561 1 1 721 . 1 1 1 A 80 80 VAL N N 80 124.677 117.660 7.017 1 1 722 . 1 1 1 A 81 81 CYS H H 81 8.795 8.400 0.395 1 1 723 . 1 1 1 A 81 81 CYS HA H 81 5.758 5.157 0.601 1 1 726 . 1 1 1 A 81 81 CYS C C 81 173.980 173.035 0.945 1 1 727 . 1 1 1 A 81 81 CYS CA C 81 57.821 57.286 0.535 1 1 728 . 1 1 1 A 81 81 CYS CB C 81 30.043 30.363 -0.320 1 1 729 . 1 1 1 A 81 81 CYS N N 81 123.745 122.626 1.119 1 1 730 . 1 1 1 A 82 82 PHE H H 82 8.873 8.597 0.276 1 1 731 . 1 1 1 A 82 82 PHE HA H 82 4.532 5.355 -0.823 1 1 735 . 1 1 1 A 82 82 PHE C C 82 171.090 172.235 -1.145 1 1 736 . 1 1 1 A 82 82 PHE CA C 82 56.367 55.580 0.787 1 1 737 . 1 1 1 A 82 82 PHE CB C 82 40.091 42.023 -1.932 1 1 738 . 1 1 1 A 82 82 PHE N N 82 117.718 121.638 -3.920 1 1 739 . 1 1 1 A 83 83 SER H H 83 8.038 8.786 -0.748 1 1 740 . 1 1 1 A 83 83 SER HA H 83 5.204 4.927 0.277 1 1 743 . 1 1 1 A 83 83 SER C C 83 178.547 174.713 3.834 1 1 744 . 1 1 1 A 83 83 SER CA C 83 55.000 57.405 -2.405 1 1 745 . 1 1 1 A 83 83 SER CB C 83 63.051 64.987 -1.936 1 1 746 . 1 1 1 A 83 83 SER N N 83 113.246 116.315 -3.069 1 1 747 . 1 1 1 A 84 84 VAL H H 84 8.609 8.504 0.105 1 1 748 . 1 1 1 A 84 84 VAL HA H 84 4.261 4.518 -0.257 1 1 756 . 1 1 1 A 84 84 VAL C C 84 175.783 176.916 -1.133 1 1 757 . 1 1 1 A 84 84 VAL CA C 84 63.745 61.915 1.830 1 1 758 . 1 1 1 A 84 84 VAL CB C 84 29.811 32.644 -2.833 1 1 760 . 1 1 1 A 84 84 VAL N N 84 120.609 124.852 -4.243 1 1 761 . 1 1 1 A 85 85 VAL H H 85 7.653 7.723 -0.070 1 1 762 . 1 1 1 A 85 85 VAL HA H 85 4.508 4.129 0.379 1 1 767 . 1 1 1 A 85 85 VAL C C 85 173.401 176.008 -2.607 1 1 768 . 1 1 1 A 85 85 VAL CA C 85 59.998 63.826 -3.828 1 1 769 . 1 1 1 A 85 85 VAL CB C 85 29.718 32.750 -3.032 1 1 772 . 1 1 1 A 85 85 VAL N N 85 107.920 121.024 -13.104 1 1 773 . 1 1 1 A 86 86 SER H H 86 7.792 7.856 -0.064 1 1 774 . 1 1 1 A 86 86 SER HA H 86 5.200 4.805 0.395 1 1 777 . 1 1 1 A 86 86 SER CA C 86 53.848 54.524 -0.676 1 1 778 . 1 1 1 A 86 86 SER CB C 86 62.720 64.587 -1.867 1 1 779 . 1 1 1 A 86 86 SER N N 86 112.608 117.447 -4.839 1 1 780 . 1 1 1 A 87 87 PRO C C 87 178.275 177.941 0.334 1 1 781 . 1 1 1 A 87 87 PRO CA C 87 65.655 65.206 0.449 1 1 782 . 1 1 1 A 87 87 PRO CB C 87 31.961 31.984 -0.023 1 1 783 . 1 1 1 A 88 88 SER H H 88 8.928 8.324 0.604 1 1 784 . 1 1 1 A 88 88 SER HA H 88 4.783 4.258 0.525 1 1 787 . 1 1 1 A 88 88 SER C C 88 176.192 176.993 -0.801 1 1 788 . 1 1 1 A 88 88 SER CA C 88 61.630 61.234 0.396 1 1 789 . 1 1 1 A 88 88 SER CB C 88 71.811 63.057 8.754 1 1 790 . 1 1 1 A 88 88 SER N N 88 113.475 112.590 0.885 1 1 791 . 1 1 1 A 89 89 SER H H 89 8.022 8.594 -0.572 1 1 792 . 1 1 1 A 89 89 SER HA H 89 5.047 4.396 0.651 1 1 795 . 1 1 1 A 89 89 SER C C 89 176.417 176.839 -0.422 1 1 796 . 1 1 1 A 89 89 SER CA C 89 61.352 60.869 0.483 1 1 797 . 1 1 1 A 89 89 SER CB C 89 63.930 62.951 0.979 1 1 798 . 1 1 1 A 89 89 SER N N 89 120.789 116.463 4.326 1 1 799 . 1 1 1 A 90 90 PHE H H 90 7.454 8.283 -0.829 1 1 800 . 1 1 1 A 90 90 PHE HA H 90 3.967 4.099 -0.132 1 1 804 . 1 1 1 A 90 90 PHE C C 90 177.387 177.999 -0.612 1 1 805 . 1 1 1 A 90 90 PHE CA C 90 59.945 60.888 -0.943 1 1 806 . 1 1 1 A 90 90 PHE CB C 90 39.365 39.174 0.191 1 1 807 . 1 1 1 A 90 90 PHE N N 90 124.950 124.286 0.664 1 1 808 . 1 1 1 A 91 91 GLU H H 91 8.245 8.230 0.015 1 1 809 . 1 1 1 A 91 91 GLU HA H 91 3.921 4.055 -0.134 1 1 811 . 1 1 1 A 91 91 GLU C C 91 179.695 179.381 0.314 1 1 812 . 1 1 1 A 91 91 GLU CA C 91 59.102 59.739 -0.637 1 1 813 . 1 1 1 A 91 91 GLU CB C 91 28.437 29.330 -0.893 1 1 815 . 1 1 1 A 91 91 GLU N N 91 119.953 118.170 1.783 1 1 816 . 1 1 1 A 92 92 ASN H H 92 8.106 8.342 -0.236 1 1 817 . 1 1 1 A 92 92 ASN HA H 92 4.760 4.453 0.307 1 1 821 . 1 1 1 A 92 92 ASN C C 92 178.593 177.830 0.763 1 1 822 . 1 1 1 A 92 92 ASN CA C 92 54.635 56.605 -1.970 1 1 823 . 1 1 1 A 92 92 ASN CB C 92 37.879 38.458 -0.579 1 1 824 . 1 1 1 A 92 92 ASN N N 92 114.315 117.947 -3.632 1 1 826 . 1 1 1 A 93 93 VAL H H 93 7.883 7.678 0.205 1 1 827 . 1 1 1 A 93 93 VAL HA H 93 3.738 3.635 0.103 1 1 835 . 1 1 1 A 93 93 VAL C C 93 174.932 178.470 -3.538 1 1 836 . 1 1 1 A 93 93 VAL CA C 93 68.395 66.889 1.506 1 1 837 . 1 1 1 A 93 93 VAL CB C 93 30.596 31.205 -0.609 1 1 839 . 1 1 1 A 93 93 VAL N N 93 124.067 120.862 3.205 1 1 840 . 1 1 1 A 94 94 LYS H H 94 6.590 7.763 -1.173 1 1 841 . 1 1 1 A 94 94 LYS HA H 94 3.902 4.065 -0.163 1 1 846 . 1 1 1 A 94 94 LYS C C 94 176.885 179.158 -2.273 1 1 847 . 1 1 1 A 94 94 LYS CA C 94 58.135 58.955 -0.820 1 1 848 . 1 1 1 A 94 94 LYS CB C 94 33.163 32.441 0.722 1 1 851 . 1 1 1 A 94 94 LYS N N 94 115.269 119.759 -4.490 1 1 852 . 1 1 1 A 95 95 GLU H H 95 7.719 8.700 -0.981 1 1 853 . 1 1 1 A 95 95 GLU HA H 95 4.089 4.094 -0.005 1 1 857 . 1 1 1 A 95 95 GLU C C 95 176.252 178.093 -1.841 1 1 858 . 1 1 1 A 95 95 GLU CA C 95 57.564 58.937 -1.373 1 1 859 . 1 1 1 A 95 95 GLU CB C 95 30.353 29.855 0.498 1 1 861 . 1 1 1 A 95 95 GLU N N 95 112.466 119.452 -6.986 1 1 862 . 1 1 1 A 96 96 LYS H H 96 8.063 7.882 0.181 1 1 863 . 1 1 1 A 96 96 LYS HA H 96 4.250 4.333 -0.083 1 1 867 . 1 1 1 A 96 96 LYS C C 96 177.781 178.124 -0.343 1 1 868 . 1 1 1 A 96 96 LYS CA C 96 57.343 57.242 0.101 1 1 869 . 1 1 1 A 96 96 LYS CB C 96 35.190 34.014 1.176 1 1 873 . 1 1 1 A 96 96 LYS N N 96 115.613 115.432 0.181 1 1 874 . 1 1 1 A 97 97 TRP H H 97 7.786 8.103 -0.317 1 1 875 . 1 1 1 A 97 97 TRP HA H 97 4.390 4.410 -0.020 1 1 879 . 1 1 1 A 97 97 TRP C C 97 178.500 178.964 -0.464 1 1 880 . 1 1 1 A 97 97 TRP CA C 97 60.831 60.054 0.777 1 1 881 . 1 1 1 A 97 97 TRP CB C 97 30.818 29.431 1.387 1 1 882 . 1 1 1 A 97 97 TRP N N 97 119.643 120.269 -0.626 1 1 884 . 1 1 1 A 98 98 VAL H H 98 8.604 8.155 0.449 1 1 885 . 1 1 1 A 98 98 VAL HA H 98 3.542 3.643 -0.101 1 1 890 . 1 1 1 A 98 98 VAL CA C 98 68.434 67.713 0.721 1 1 891 . 1 1 1 A 98 98 VAL CB C 98 28.357 29.595 -1.238 1 1 892 . 1 1 1 A 98 98 VAL N N 98 116.894 119.964 -3.070 1 1 893 . 1 1 1 A 99 99 PRO HA H 99 3.932 4.212 -0.280 1 1 895 . 1 1 1 A 99 99 PRO C C 99 177.438 178.690 -1.252 1 1 896 . 1 1 1 A 99 99 PRO CA C 99 66.615 66.124 0.491 1 1 897 . 1 1 1 A 99 99 PRO CB C 99 30.600 30.525 0.075 1 1 899 . 1 1 1 A 100 100 GLU H H 100 7.538 8.144 -0.606 1 1 900 . 1 1 1 A 100 100 GLU HA H 100 4.219 4.185 0.034 1 1 902 . 1 1 1 A 100 100 GLU C C 100 178.891 178.995 -0.104 1 1 903 . 1 1 1 A 100 100 GLU CA C 100 60.795 59.468 1.327 1 1 904 . 1 1 1 A 100 100 GLU CB C 100 29.919 29.186 0.733 1 1 906 . 1 1 1 A 100 100 GLU N N 100 116.622 117.765 -1.143 1 1 907 . 1 1 1 A 101 101 ILE H H 101 8.331 7.788 0.543 1 1 908 . 1 1 1 A 101 101 ILE HA H 101 3.598 4.157 -0.559 1 1 909 . 1 1 1 A 101 101 ILE C C 101 177.812 177.660 0.152 1 1 910 . 1 1 1 A 101 101 ILE CA C 101 66.106 63.016 3.090 1 1 911 . 1 1 1 A 101 101 ILE CB C 101 35.806 37.732 -1.926 1 1 913 . 1 1 1 A 101 101 ILE N N 101 113.806 120.325 -6.519 1 1 914 . 1 1 1 A 102 102 THR H H 102 7.881 8.113 -0.232 1 1 915 . 1 1 1 A 102 102 THR HA H 102 3.849 3.956 -0.107 1 1 917 . 1 1 1 A 102 102 THR C C 102 175.953 177.283 -1.330 1 1 918 . 1 1 1 A 102 102 THR CA C 102 64.979 65.805 -0.826 1 1 919 . 1 1 1 A 102 102 THR CB C 102 69.609 68.038 1.571 1 1 920 . 1 1 1 A 102 102 THR N N 102 112.542 116.023 -3.481 1 1 921 . 1 1 1 A 103 103 HIS H H 103 7.598 7.764 -0.166 1 1 922 . 1 1 1 A 103 103 HIS HA H 103 4.217 4.311 -0.094 1 1 924 . 1 1 1 A 103 103 HIS C C 103 176.414 177.326 -0.912 1 1 925 . 1 1 1 A 103 103 HIS CA C 103 58.531 59.362 -0.831 1 1 926 . 1 1 1 A 103 103 HIS CB C 103 28.397 29.414 -1.017 1 1 927 . 1 1 1 A 103 103 HIS N N 103 118.843 119.813 -0.970 1 1 928 . 1 1 1 A 104 104 HIS H H 104 7.405 7.611 -0.206 1 1 929 . 1 1 1 A 104 104 HIS HA H 104 4.164 4.538 -0.374 1 1 932 . 1 1 1 A 104 104 HIS C C 104 176.660 174.536 2.124 1 1 933 . 1 1 1 A 104 104 HIS CA C 104 59.641 55.928 3.713 1 1 934 . 1 1 1 A 104 104 HIS CB C 104 33.363 29.845 3.518 1 1 935 . 1 1 1 A 104 104 HIS N N 104 113.791 115.826 -2.035 1 1 936 . 1 1 1 A 105 105 CYS H H 105 8.530 8.199 0.331 1 1 937 . 1 1 1 A 105 105 CYS HA H 105 5.015 4.028 0.987 1 1 940 . 1 1 1 A 105 105 CYS CA C 105 56.219 59.740 -3.521 1 1 941 . 1 1 1 A 105 105 CYS N N 105 117.178 118.101 -0.923 1 1 942 . 1 1 1 A 106 106 PRO HA H 106 4.477 4.597 -0.120 1 1 945 . 1 1 1 A 106 106 PRO C C 106 177.961 176.753 1.208 1 1 946 . 1 1 1 A 106 106 PRO CA C 106 64.735 63.194 1.541 1 1 947 . 1 1 1 A 106 106 PRO CB C 106 31.961 30.704 1.257 1 1 949 . 1 1 1 A 107 107 LYS H H 107 8.769 8.544 0.225 1 1 950 . 1 1 1 A 107 107 LYS HA H 107 4.771 4.609 0.162 1 1 955 . 1 1 1 A 107 107 LYS CA C 107 55.895 56.094 -0.199 1 1 956 . 1 1 1 A 107 107 LYS CB C 107 31.160 34.064 -2.904 1 1 957 . 1 1 1 A 107 107 LYS N N 107 116.131 121.305 -5.174 1 1 958 . 1 1 1 A 108 108 THR H H 108 7.586 7.532 0.054 1 1 959 . 1 1 1 A 108 108 THR N N 108 121.415 111.339 10.076 1 1 960 . 1 1 1 A 109 109 PRO HA H 109 4.529 4.598 -0.069 1 1 963 . 1 1 1 A 109 109 PRO C C 109 174.846 175.524 -0.678 1 1 964 . 1 1 1 A 109 109 PRO CA C 109 62.495 62.907 -0.412 1 1 965 . 1 1 1 A 109 109 PRO CB C 109 33.563 32.548 1.015 1 1 968 . 1 1 1 A 110 110 PHE H H 110 8.165 8.781 -0.616 1 1 969 . 1 1 1 A 110 110 PHE HA H 110 5.929 5.087 0.842 1 1 971 . 1 1 1 A 110 110 PHE C C 110 172.666 175.081 -2.415 1 1 972 . 1 1 1 A 110 110 PHE CA C 110 54.448 56.605 -2.157 1 1 973 . 1 1 1 A 110 110 PHE CB C 110 43.554 42.783 0.771 1 1 974 . 1 1 1 A 110 110 PHE N N 110 112.128 122.077 -9.949 1 1 975 . 1 1 1 A 111 111 LEU H H 111 8.633 9.106 -0.473 1 1 976 . 1 1 1 A 111 111 LEU HA H 111 4.694 4.968 -0.274 1 1 979 . 1 1 1 A 111 111 LEU C C 111 175.472 175.016 0.456 1 1 980 . 1 1 1 A 111 111 LEU CA C 111 54.212 53.316 0.896 1 1 981 . 1 1 1 A 111 111 LEU CB C 111 43.831 44.931 -1.100 1 1 984 . 1 1 1 A 111 111 LEU N N 111 119.654 122.218 -2.564 1 1 985 . 1 1 1 A 112 112 LEU H H 112 8.061 8.863 -0.802 1 1 986 . 1 1 1 A 112 112 LEU HA H 112 5.363 5.169 0.194 1 1 992 . 1 1 1 A 112 112 LEU C C 112 173.631 174.957 -1.326 1 1 993 . 1 1 1 A 112 112 LEU CA C 112 53.826 53.585 0.241 1 1 994 . 1 1 1 A 112 112 LEU CB C 112 44.182 44.278 -0.096 1 1 996 . 1 1 1 A 112 112 LEU N N 112 121.946 127.515 -5.569 1 1 997 . 1 1 1 A 113 113 VAL H H 113 9.178 9.149 0.029 1 1 998 . 1 1 1 A 113 113 VAL HA H 113 4.878 4.978 -0.100 1 1 1006 . 1 1 1 A 113 113 VAL C C 113 174.300 175.187 -0.887 1 1 1007 . 1 1 1 A 113 113 VAL CA C 113 59.695 60.630 -0.935 1 1 1008 . 1 1 1 A 113 113 VAL CB C 113 33.323 34.804 -1.481 1 1 1011 . 1 1 1 A 113 113 VAL N N 113 125.807 128.365 -2.558 1 1 1012 . 1 1 1 A 114 114 GLY H H 114 8.731 9.401 -0.670 1 1 1013 . 1 1 1 A 114 114 GLY HA2 H 114 3.688 3.611 0.077 1 1 1014 . 1 1 1 A 114 114 GLY HA3 H 114 3.270 4.187 -0.917 1 1 1015 . 1 1 1 A 114 114 GLY C C 114 173.360 172.436 0.924 1 1 1016 . 1 1 1 A 114 114 GLY CA C 114 44.195 44.376 -0.181 1 1 1017 . 1 1 1 A 114 114 GLY N N 114 115.079 115.457 -0.378 1 1 1018 . 1 1 1 A 115 115 THR H H 115 9.181 7.743 1.438 1 1 1019 . 1 1 1 A 115 115 THR HA H 115 4.969 4.901 0.068 1 1 1024 . 1 1 1 A 115 115 THR C C 115 175.355 173.877 1.478 1 1 1025 . 1 1 1 A 115 115 THR CA C 115 59.375 59.870 -0.495 1 1 1026 . 1 1 1 A 115 115 THR CB C 115 70.530 71.466 -0.936 1 1 1028 . 1 1 1 A 115 115 THR N N 115 115.613 114.186 1.427 1 1 1029 . 1 1 1 A 116 116 GLN H H 116 9.380 8.776 0.604 1 1 1030 . 1 1 1 A 116 116 GLN HA H 116 3.983 3.982 0.001 1 1 1033 . 1 1 1 A 116 116 GLN C C 116 179.110 175.630 3.480 1 1 1034 . 1 1 1 A 116 116 GLN CA C 116 56.195 57.118 -0.923 1 1 1035 . 1 1 1 A 116 116 GLN CB C 116 23.911 28.176 -4.265 1 1 1037 . 1 1 1 A 116 116 GLN N N 116 108.468 120.289 -11.821 1 1 1038 . 1 1 1 A 117 117 ILE H H 117 7.635 7.767 -0.132 1 1 1039 . 1 1 1 A 117 117 ILE HA H 117 3.814 3.904 -0.090 1 1 1042 . 1 1 1 A 117 117 ILE C C 117 178.002 176.251 1.751 1 1 1043 . 1 1 1 A 117 117 ILE CA C 117 64.828 61.124 3.704 1 1 1044 . 1 1 1 A 117 117 ILE CB C 117 36.327 39.746 -3.419 1 1 1047 . 1 1 1 A 118 118 ASP H H 118 8.732 8.889 -0.157 1 1 1048 . 1 1 1 A 118 118 ASP HA H 118 4.468 4.151 0.317 1 1 1051 . 1 1 1 A 118 118 ASP C C 118 176.888 177.233 -0.345 1 1 1052 . 1 1 1 A 118 118 ASP CA C 118 55.527 56.764 -1.237 1 1 1053 . 1 1 1 A 118 118 ASP CB C 118 40.482 38.873 1.609 1 1 1054 . 1 1 1 A 118 118 ASP N N 118 119.049 122.385 -3.336 1 1 1055 . 1 1 1 A 119 119 LEU H H 119 7.914 9.416 -1.502 1 1 1056 . 1 1 1 A 119 119 LEU HA H 119 4.332 4.023 0.309 1 1 1066 . 1 1 1 A 119 119 LEU C C 119 178.015 176.492 1.523 1 1 1067 . 1 1 1 A 119 119 LEU CA C 119 55.388 57.522 -2.134 1 1 1068 . 1 1 1 A 119 119 LEU CB C 119 41.573 41.281 0.292 1 1 1071 . 1 1 1 A 119 119 LEU N N 119 117.783 119.372 -1.589 1 1 1072 . 1 1 1 A 120 120 ARG H H 120 7.256 8.024 -0.768 1 1 1073 . 1 1 1 A 120 120 ARG HA H 120 3.561 3.947 -0.386 1 1 1076 . 1 1 1 A 120 120 ARG C C 120 174.671 175.626 -0.955 1 1 1077 . 1 1 1 A 120 120 ARG CA C 120 60.041 57.452 2.589 1 1 1078 . 1 1 1 A 120 120 ARG CB C 120 30.079 28.290 1.789 1 1 1081 . 1 1 1 A 120 120 ARG N N 120 116.747 116.305 0.442 1 1 1082 . 1 1 1 A 121 121 ASP H H 121 7.078 8.439 -1.361 1 1 1083 . 1 1 1 A 121 121 ASP HA H 121 4.802 4.332 0.470 1 1 1086 . 1 1 1 A 121 121 ASP C C 121 175.364 175.166 0.198 1 1 1087 . 1 1 1 A 121 121 ASP CA C 121 52.775 54.832 -2.057 1 1 1088 . 1 1 1 A 121 121 ASP CB C 121 41.372 39.246 2.126 1 1 1089 . 1 1 1 A 121 121 ASP N N 121 111.544 117.047 -5.503 1 1 1090 . 1 1 1 A 122 122 ASP H H 122 7.246 7.967 -0.721 1 1 1091 . 1 1 1 A 122 122 ASP HA H 122 4.983 4.613 0.370 1 1 1094 . 1 1 1 A 122 122 ASP CA C 122 51.575 53.062 -1.487 1 1 1095 . 1 1 1 A 122 122 ASP CB C 122 43.576 41.107 2.469 1 1 1096 . 1 1 1 A 122 122 ASP N N 122 122.169 120.307 1.862 1 1 1097 . 1 1 1 A 123 123 PRO HA H 123 4.132 4.322 -0.190 1 1 1100 . 1 1 1 A 123 123 PRO C C 123 178.982 178.443 0.539 1 1 1101 . 1 1 1 A 123 123 PRO CA C 123 65.824 65.933 -0.109 1 1 1102 . 1 1 1 A 123 123 PRO CB C 123 32.041 31.515 0.526 1 1 1104 . 1 1 1 A 124 124 SER H H 124 8.333 8.291 0.042 1 1 1105 . 1 1 1 A 124 124 SER HA H 124 4.762 4.186 0.576 1 1 1108 . 1 1 1 A 124 124 SER C C 124 176.716 177.076 -0.360 1 1 1109 . 1 1 1 A 124 124 SER CA C 124 62.073 61.127 0.946 1 1 1110 . 1 1 1 A 124 124 SER CB C 124 62.373 62.548 -0.175 1 1 1111 . 1 1 1 A 124 124 SER N N 124 112.482 111.906 0.576 1 1 1112 . 1 1 1 A 125 125 THR H H 125 7.921 7.732 0.189 1 1 1113 . 1 1 1 A 125 125 THR HA H 125 4.658 3.995 0.663 1 1 1118 . 1 1 1 A 125 125 THR C C 125 175.789 176.202 -0.413 1 1 1119 . 1 1 1 A 125 125 THR CA C 125 67.686 66.522 1.164 1 1 1121 . 1 1 1 A 125 125 THR N N 125 121.820 116.190 5.630 1 1 1122 . 1 1 1 A 126 126 ILE H H 126 8.234 8.359 -0.125 1 1 1123 . 1 1 1 A 126 126 ILE HA H 126 3.550 4.043 -0.493 1 1 1126 . 1 1 1 A 126 126 ILE C C 126 179.057 177.768 1.289 1 1 1127 . 1 1 1 A 126 126 ILE CA C 126 65.032 63.590 1.442 1 1 1128 . 1 1 1 A 126 126 ILE CB C 126 37.064 37.542 -0.478 1 1 1132 . 1 1 1 A 126 126 ILE N N 126 121.486 119.988 1.498 1 1 1133 . 1 1 1 A 127 127 GLU H H 127 8.240 8.066 0.174 1 1 1134 . 1 1 1 A 127 127 GLU HA H 127 4.165 3.997 0.168 1 1 1136 . 1 1 1 A 127 127 GLU C C 127 177.025 179.557 -2.532 1 1 1137 . 1 1 1 A 127 127 GLU CA C 127 59.326 59.678 -0.352 1 1 1138 . 1 1 1 A 127 127 GLU CB C 127 29.330 29.460 -0.130 1 1 1140 . 1 1 1 A 127 127 GLU N N 127 120.249 122.143 -1.894 1 1 1141 . 1 1 1 A 128 128 LYS H H 128 7.919 7.630 0.289 1 1 1142 . 1 1 1 A 128 128 LYS HA H 128 3.978 4.161 -0.183 1 1 1146 . 1 1 1 A 128 128 LYS C C 128 179.838 179.073 0.765 1 1 1147 . 1 1 1 A 128 128 LYS CA C 128 59.938 58.935 1.003 1 1 1148 . 1 1 1 A 128 128 LYS CB C 128 31.691 32.179 -0.488 1 1 1152 . 1 1 1 A 128 128 LYS N N 128 120.679 121.348 -0.669 1 1 1153 . 1 1 1 A 129 129 LEU H H 129 8.142 7.989 0.153 1 1 1154 . 1 1 1 A 129 129 LEU HA H 129 4.128 4.160 -0.032 1 1 1160 . 1 1 1 A 129 129 LEU C C 129 179.701 178.766 0.935 1 1 1161 . 1 1 1 A 129 129 LEU CA C 129 57.904 57.567 0.337 1 1 1162 . 1 1 1 A 129 129 LEU CB C 129 41.674 40.876 0.798 1 1 1165 . 1 1 1 A 129 129 LEU N N 129 118.553 119.568 -1.015 1 1 1166 . 1 1 1 A 130 130 ALA H H 130 8.493 8.929 -0.436 1 1 1167 . 1 1 1 A 130 130 ALA HA H 130 4.286 3.922 0.364 1 1 1171 . 1 1 1 A 130 130 ALA C C 130 182.027 179.396 2.631 1 1 1172 . 1 1 1 A 130 130 ALA CA C 130 55.358 55.414 -0.056 1 1 1173 . 1 1 1 A 130 130 ALA CB C 130 17.069 18.269 -1.200 1 1 1174 . 1 1 1 A 130 130 ALA N N 130 122.578 121.492 1.086 1 1 1175 . 1 1 1 A 131 131 LYS H H 131 8.065 7.681 0.384 1 1 1176 . 1 1 1 A 131 131 LYS HA H 131 4.124 3.969 0.155 1 1 1180 . 1 1 1 A 131 131 LYS C C 131 177.085 178.443 -1.358 1 1 1181 . 1 1 1 A 131 131 LYS CA C 131 59.093 59.678 -0.585 1 1 1182 . 1 1 1 A 131 131 LYS CB C 131 31.782 32.388 -0.606 1 1 1186 . 1 1 1 A 131 131 LYS N N 131 120.347 118.462 1.885 1 1 1187 . 1 1 1 A 132 132 ASN H H 132 7.414 7.877 -0.463 1 1 1188 . 1 1 1 A 132 132 ASN HA H 132 4.983 4.821 0.162 1 1 1193 . 1 1 1 A 132 132 ASN C C 132 173.584 174.332 -0.748 1 1 1194 . 1 1 1 A 132 132 ASN CA C 132 52.195 52.769 -0.574 1 1 1195 . 1 1 1 A 132 132 ASN CB C 132 39.210 38.635 0.575 1 1 1196 . 1 1 1 A 132 132 ASN N N 132 115.667 114.488 1.179 1 1 1198 . 1 1 1 A 133 133 LYS H H 133 8.105 7.837 0.268 1 1 1199 . 1 1 1 A 133 133 LYS HA H 133 3.956 3.920 0.036 1 1 1204 . 1 1 1 A 133 133 LYS C C 133 175.311 176.120 -0.809 1 1 1205 . 1 1 1 A 133 133 LYS CA C 133 57.317 57.166 0.151 1 1 1206 . 1 1 1 A 133 133 LYS CB C 133 28.397 29.225 -0.828 1 1 1210 . 1 1 1 A 133 133 LYS N N 133 113.900 115.068 -1.168 1 1 1211 . 1 1 1 A 134 134 GLN H H 134 8.107 8.239 -0.132 1 1 1212 . 1 1 1 A 134 134 GLN HA H 134 4.777 4.332 0.445 1 1 1218 . 1 1 1 A 134 134 GLN C C 134 174.870 176.435 -1.565 1 1 1219 . 1 1 1 A 134 134 GLN CA C 134 53.890 57.522 -3.632 1 1 1220 . 1 1 1 A 134 134 GLN CB C 134 33.095 29.902 3.193 1 1 1222 . 1 1 1 A 134 134 GLN N N 134 116.006 117.834 -1.828 1 1 1224 . 1 1 1 A 135 135 LYS H H 135 7.974 7.955 0.019 1 1 1225 . 1 1 1 A 135 135 LYS CA C 135 54.077 57.464 -3.387 1 1 1226 . 1 1 1 A 135 135 LYS CB C 135 33.433 31.613 1.820 1 1 1227 . 1 1 1 A 135 135 LYS N N 135 118.646 117.418 1.228 1 1 1228 . 1 1 1 A 136 136 PRO HA H 136 4.378 4.522 -0.144 1 1 1232 . 1 1 1 A 136 136 PRO C C 136 174.976 175.989 -1.013 1 1 1233 . 1 1 1 A 136 136 PRO CA C 136 62.255 62.640 -0.385 1 1 1234 . 1 1 1 A 136 136 PRO CB C 136 32.147 32.097 0.050 1 1 1237 . 1 1 1 A 137 137 ILE H H 137 9.147 8.454 0.693 1 1 1238 . 1 1 1 A 137 137 ILE HA H 137 3.918 4.307 -0.389 1 1 1245 . 1 1 1 A 137 137 ILE C C 137 176.126 176.660 -0.534 1 1 1246 . 1 1 1 A 137 137 ILE CA C 137 59.969 60.599 -0.630 1 1 1247 . 1 1 1 A 137 137 ILE CB C 137 36.848 39.406 -2.558 1 1 1248 . 1 1 1 A 137 137 ILE N N 137 122.234 122.301 -0.067 1 1 1249 . 1 1 1 A 138 138 THR H H 138 7.993 8.918 -0.925 1 1 1250 . 1 1 1 A 138 138 THR HA H 138 4.765 4.860 -0.095 1 1 1255 . 1 1 1 A 138 138 THR CA C 138 59.171 60.087 -0.916 1 1 1256 . 1 1 1 A 138 138 THR CB C 138 68.488 68.864 -0.376 1 1 1257 . 1 1 1 A 138 138 THR N N 138 118.389 118.707 -0.318 1 1 1258 . 1 1 1 A 139 139 PRO HA H 139 4.071 4.407 -0.336 1 1 1261 . 1 1 1 A 139 139 PRO C C 139 177.838 178.200 -0.362 1 1 1262 . 1 1 1 A 139 139 PRO CA C 139 65.575 65.463 0.112 1 1 1263 . 1 1 1 A 139 139 PRO CB C 139 31.401 31.950 -0.549 1 1 1265 . 1 1 1 A 140 140 GLU H H 140 8.569 8.216 0.353 1 1 1266 . 1 1 1 A 140 140 GLU HA H 140 3.000 4.051 -1.051 1 1 1270 . 1 1 1 A 140 140 GLU C C 140 179.357 179.121 0.236 1 1 1271 . 1 1 1 A 140 140 GLU CA C 140 60.137 59.600 0.537 1 1 1272 . 1 1 1 A 140 140 GLU CB C 140 28.357 29.184 -0.827 1 1 1273 . 1 1 1 A 140 140 GLU N N 140 114.648 118.064 -3.416 1 1 1274 . 1 1 1 A 141 141 THR H H 141 7.579 7.735 -0.156 1 1 1275 . 1 1 1 A 141 141 THR HA H 141 3.811 3.882 -0.071 1 1 1280 . 1 1 1 A 141 141 THR C C 141 176.395 176.476 -0.081 1 1 1281 . 1 1 1 A 141 141 THR CA C 141 66.113 66.462 -0.349 1 1 1282 . 1 1 1 A 141 141 THR CB C 141 68.569 68.303 0.266 1 1 1284 . 1 1 1 A 141 141 THR N N 141 118.215 116.827 1.388 1 1 1285 . 1 1 1 A 142 142 ALA H H 142 7.562 7.750 -0.188 1 1 1286 . 1 1 1 A 142 142 ALA HA H 142 3.866 4.261 -0.395 1 1 1290 . 1 1 1 A 142 142 ALA C C 142 178.302 179.880 -1.578 1 1 1291 . 1 1 1 A 142 142 ALA CA C 142 55.332 55.192 0.140 1 1 1292 . 1 1 1 A 142 142 ALA CB C 142 16.606 18.414 -1.808 1 1 1293 . 1 1 1 A 142 142 ALA N N 142 125.491 123.917 1.574 1 1 1294 . 1 1 1 A 143 143 GLU H H 143 8.787 8.331 0.456 1 1 1295 . 1 1 1 A 143 143 GLU HA H 143 3.742 3.908 -0.166 1 1 1298 . 1 1 1 A 143 143 GLU C C 143 179.077 178.811 0.266 1 1 1299 . 1 1 1 A 143 143 GLU CA C 143 59.590 59.101 0.489 1 1 1300 . 1 1 1 A 143 143 GLU CB C 143 28.998 29.012 -0.014 1 1 1302 . 1 1 1 A 143 143 GLU N N 143 117.991 119.122 -1.131 1 1 1303 . 1 1 1 A 144 144 LYS H H 144 7.313 7.325 -0.012 1 1 1304 . 1 1 1 A 144 144 LYS HA H 144 3.950 3.940 0.010 1 1 1307 . 1 1 1 A 144 144 LYS C C 144 177.781 179.265 -1.484 1 1 1308 . 1 1 1 A 144 144 LYS CA C 144 59.370 59.680 -0.310 1 1 1309 . 1 1 1 A 144 144 LYS CB C 144 31.718 32.460 -0.742 1 1 1313 . 1 1 1 A 144 144 LYS N N 144 118.815 119.567 -0.752 1 1 1314 . 1 1 1 A 145 145 LEU H H 145 7.326 7.659 -0.333 1 1 1315 . 1 1 1 A 145 145 LEU HA H 145 4.153 4.003 0.150 1 1 1324 . 1 1 1 A 145 145 LEU C C 145 178.162 178.459 -0.297 1 1 1325 . 1 1 1 A 145 145 LEU CA C 145 57.834 57.584 0.250 1 1 1326 . 1 1 1 A 145 145 LEU CB C 145 40.432 41.232 -0.800 1 1 1329 . 1 1 1 A 145 145 LEU N N 145 119.589 121.374 -1.785 1 1 1330 . 1 1 1 A 146 146 ALA H H 146 8.482 7.582 0.900 1 1 1331 . 1 1 1 A 146 146 ALA HA H 146 3.705 3.968 -0.263 1 1 1335 . 1 1 1 A 146 146 ALA C C 146 178.574 180.241 -1.667 1 1 1336 . 1 1 1 A 146 146 ALA CA C 146 55.543 55.203 0.340 1 1 1337 . 1 1 1 A 146 146 ALA CB C 146 17.663 17.948 -0.285 1 1 1338 . 1 1 1 A 146 146 ALA N N 146 118.809 120.540 -1.731 1 1 1339 . 1 1 1 A 147 147 ARG H H 147 7.714 7.754 -0.040 1 1 1340 . 1 1 1 A 147 147 ARG HA H 147 4.175 4.124 0.051 1 1 1344 . 1 1 1 A 147 147 ARG C C 147 180.165 177.409 2.756 1 1 1345 . 1 1 1 A 147 147 ARG CA C 147 58.995 57.559 1.436 1 1 1346 . 1 1 1 A 147 147 ARG CB C 147 29.657 29.971 -0.314 1 1 1349 . 1 1 1 A 147 147 ARG N N 147 116.011 119.333 -3.322 1 1 1350 . 1 1 1 A 148 148 ASP H H 148 8.461 7.915 0.546 1 1 1351 . 1 1 1 A 148 148 ASP HA H 148 4.324 4.393 -0.069 1 1 1354 . 1 1 1 A 148 148 ASP C C 148 178.284 177.377 0.907 1 1 1355 . 1 1 1 A 148 148 ASP CA C 148 57.501 56.740 0.761 1 1 1356 . 1 1 1 A 148 148 ASP CB C 148 40.172 41.199 -1.027 1 1 1357 . 1 1 1 A 148 148 ASP N N 148 121.913 119.530 2.383 1 1 1358 . 1 1 1 A 149 149 LEU H H 149 8.364 7.094 1.270 1 1 1359 . 1 1 1 A 149 149 LEU HA H 149 4.365 4.335 0.030 1 1 1368 . 1 1 1 A 149 149 LEU C C 149 174.985 177.372 -2.387 1 1 1369 . 1 1 1 A 149 149 LEU CA C 149 54.315 56.256 -1.941 1 1 1370 . 1 1 1 A 149 149 LEU CB C 149 41.373 42.413 -1.040 1 1 1373 . 1 1 1 A 149 149 LEU N N 149 115.324 117.677 -2.353 1 1 1374 . 1 1 1 A 150 150 LYS H H 150 7.624 7.732 -0.108 1 1 1375 . 1 1 1 A 150 150 LYS HA H 150 3.783 4.571 -0.788 1 1 1379 . 1 1 1 A 150 150 LYS C C 150 177.003 174.911 2.092 1 1 1380 . 1 1 1 A 150 150 LYS CA C 150 57.457 55.276 2.181 1 1 1381 . 1 1 1 A 150 150 LYS CB C 150 27.730 33.032 -5.302 1 1 1385 . 1 1 1 A 150 150 LYS N N 150 111.768 117.491 -5.723 1 1 1386 . 1 1 1 A 151 151 ALA H H 151 8.248 7.299 0.949 1 1 1387 . 1 1 1 A 151 151 ALA HA H 151 2.979 4.303 -1.324 1 1 1391 . 1 1 1 A 151 151 ALA C C 151 177.944 177.980 -0.036 1 1 1392 . 1 1 1 A 151 151 ALA CA C 151 51.231 52.749 -1.518 1 1 1393 . 1 1 1 A 151 151 ALA CB C 151 19.707 19.095 0.612 1 1 1394 . 1 1 1 A 151 151 ALA N N 151 119.649 123.322 -3.673 1 1 1395 . 1 1 1 A 152 152 VAL H H 152 8.684 8.448 0.236 1 1 1396 . 1 1 1 A 152 152 VAL HA H 152 3.478 3.921 -0.443 1 1 1404 . 1 1 1 A 152 152 VAL C C 152 176.367 175.884 0.483 1 1 1405 . 1 1 1 A 152 152 VAL CA C 152 66.127 64.591 1.536 1 1 1406 . 1 1 1 A 152 152 VAL CB C 152 32.285 32.118 0.167 1 1 1409 . 1 1 1 A 152 152 VAL N N 152 120.805 123.863 -3.058 1 1 1410 . 1 1 1 A 153 153 LYS H H 153 6.865 7.587 -0.722 1 1 1411 . 1 1 1 A 153 153 LYS HA H 153 4.344 4.839 -0.495 1 1 1416 . 1 1 1 A 153 153 LYS C C 153 172.951 174.141 -1.190 1 1 1417 . 1 1 1 A 153 153 LYS CA C 153 55.049 55.623 -0.574 1 1 1418 . 1 1 1 A 153 153 LYS CB C 153 34.332 36.398 -2.066 1 1 1422 . 1 1 1 A 153 153 LYS N N 153 108.179 117.857 -9.678 1 1 1423 . 1 1 1 A 154 154 TYR H H 154 8.606 8.550 0.056 1 1 1424 . 1 1 1 A 154 154 TYR HA H 154 5.761 6.160 -0.399 1 1 1426 . 1 1 1 A 154 154 TYR C C 154 174.216 173.529 0.687 1 1 1427 . 1 1 1 A 154 154 TYR CA C 154 55.910 55.154 0.756 1 1 1428 . 1 1 1 A 154 154 TYR CB C 154 40.457 42.296 -1.839 1 1 1429 . 1 1 1 A 154 154 TYR N N 154 120.249 120.228 0.021 1 1 1430 . 1 1 1 A 155 155 VAL H H 155 8.271 9.009 -0.738 1 1 1431 . 1 1 1 A 155 155 VAL HA H 155 4.138 4.786 -0.648 1 1 1439 . 1 1 1 A 155 155 VAL C C 155 171.653 174.123 -2.470 1 1 1440 . 1 1 1 A 155 155 VAL CA C 155 58.344 59.580 -1.236 1 1 1441 . 1 1 1 A 155 155 VAL CB C 155 34.645 36.110 -1.465 1 1 1444 . 1 1 1 A 155 155 VAL N N 155 121.448 117.278 4.170 1 1 1445 . 1 1 1 A 156 156 GLU H H 156 8.030 8.700 -0.670 1 1 1446 . 1 1 1 A 156 156 GLU HA H 156 5.393 5.210 0.183 1 1 1449 . 1 1 1 A 156 156 GLU C C 156 175.890 175.645 0.245 1 1 1450 . 1 1 1 A 156 156 GLU CA C 156 53.775 54.795 -1.020 1 1 1451 . 1 1 1 A 156 156 GLU CB C 156 31.521 33.277 -1.756 1 1 1453 . 1 1 1 A 156 156 GLU N N 156 113.147 121.234 -8.087 1 1 1454 . 1 1 1 A 157 157 CYS H H 157 8.838 9.334 -0.496 1 1 1455 . 1 1 1 A 157 157 CYS HA H 157 5.324 5.233 0.091 1 1 1458 . 1 1 1 A 157 157 CYS C C 157 171.554 172.286 -0.732 1 1 1459 . 1 1 1 A 157 157 CYS CA C 157 55.749 57.037 -1.288 1 1 1460 . 1 1 1 A 157 157 CYS CB C 157 32.041 31.559 0.482 1 1 1461 . 1 1 1 A 157 157 CYS N N 157 111.910 119.422 -7.512 1 1 1462 . 1 1 1 A 158 158 SER H H 158 8.277 8.806 -0.529 1 1 1463 . 1 1 1 A 158 158 SER HA H 158 5.211 4.859 0.352 1 1 1466 . 1 1 1 A 158 158 SER C C 158 176.246 175.057 1.189 1 1 1467 . 1 1 1 A 158 158 SER CA C 158 55.892 56.408 -0.516 1 1 1468 . 1 1 1 A 158 158 SER CB C 158 65.035 64.472 0.563 1 1 1469 . 1 1 1 A 158 158 SER N N 158 110.284 117.755 -7.471 1 1 1470 . 1 1 1 A 159 159 ALA H H 159 9.297 8.889 0.408 1 1 1471 . 1 1 1 A 159 159 ALA HA H 159 4.210 3.888 0.322 1 1 1475 . 1 1 1 A 159 159 ALA C C 159 177.030 179.149 -2.119 1 1 1476 . 1 1 1 A 159 159 ALA CA C 159 54.522 54.677 -0.155 1 1 1477 . 1 1 1 A 159 159 ALA CB C 159 18.828 18.219 0.609 1 1 1478 . 1 1 1 A 159 159 ALA N N 159 132.318 130.630 1.688 1 1 1479 . 1 1 1 A 160 160 LEU H H 160 7.361 7.776 -0.415 1 1 1480 . 1 1 1 A 160 160 LEU HA H 160 3.307 3.742 -0.435 1 1 1485 . 1 1 1 A 160 160 LEU C C 160 177.619 175.754 1.865 1 1 1486 . 1 1 1 A 160 160 LEU CA C 160 57.497 57.162 0.335 1 1 1487 . 1 1 1 A 160 160 LEU CB C 160 43.255 41.797 1.458 1 1 1490 . 1 1 1 A 160 160 LEU N N 160 118.308 119.854 -1.546 1 1 1491 . 1 1 1 A 161 161 THR H H 161 8.109 7.396 0.713 1 1 1492 . 1 1 1 A 161 161 THR HA H 161 4.218 4.621 -0.403 1 1 1497 . 1 1 1 A 161 161 THR C C 161 176.064 174.399 1.665 1 1 1498 . 1 1 1 A 161 161 THR CA C 161 61.435 59.186 2.249 1 1 1499 . 1 1 1 A 161 161 THR CB C 161 69.809 72.180 -2.371 1 1 1501 . 1 1 1 A 161 161 THR N N 161 106.273 107.483 -1.210 1 1 1502 . 1 1 1 A 162 162 GLN H H 162 7.457 8.775 -1.318 1 1 1503 . 1 1 1 A 162 162 GLN HA H 162 3.923 4.285 -0.362 1 1 1509 . 1 1 1 A 162 162 GLN C C 162 174.988 176.599 -1.611 1 1 1510 . 1 1 1 A 162 162 GLN CA C 162 59.015 57.453 1.562 1 1 1511 . 1 1 1 A 162 162 GLN CB C 162 25.425 28.345 -2.920 1 1 1513 . 1 1 1 A 162 162 GLN N N 162 112.744 119.314 -6.570 1 1 1515 . 1 1 1 A 163 163 LYS H H 163 7.831 7.839 -0.008 1 1 1516 . 1 1 1 A 163 163 LYS HA H 163 4.163 4.134 0.029 1 1 1519 . 1 1 1 A 163 163 LYS C C 163 177.322 178.844 -1.522 1 1 1520 . 1 1 1 A 163 163 LYS CA C 163 58.055 58.461 -0.406 1 1 1521 . 1 1 1 A 163 163 LYS CB C 163 32.041 32.455 -0.414 1 1 1525 . 1 1 1 A 163 163 LYS N N 163 124.132 121.027 3.105 1 1 1526 . 1 1 1 A 164 164 GLY H H 164 9.133 7.820 1.313 1 1 1527 . 1 1 1 A 164 164 GLY HA2 H 164 4.293 3.708 0.585 1 1 1528 . 1 1 1 A 164 164 GLY HA3 H 164 3.860 3.719 0.141 1 1 1529 . 1 1 1 A 164 164 GLY C C 164 174.825 175.279 -0.454 1 1 1530 . 1 1 1 A 164 164 GLY CA C 164 46.375 46.960 -0.585 1 1 1531 . 1 1 1 A 164 164 GLY N N 164 114.473 107.818 6.655 1 1 1532 . 1 1 1 A 165 165 LEU H H 165 7.400 8.321 -0.921 1 1 1533 . 1 1 1 A 165 165 LEU HA H 165 3.792 4.144 -0.352 1 1 1538 . 1 1 1 A 165 165 LEU C C 165 176.722 179.366 -2.644 1 1 1539 . 1 1 1 A 165 165 LEU CA C 165 58.737 57.858 0.879 1 1 1540 . 1 1 1 A 165 165 LEU CB C 165 43.498 41.727 1.771 1 1 1543 . 1 1 1 A 165 165 LEU N N 165 121.187 122.014 -0.827 1 1 1544 . 1 1 1 A 166 166 LYS H H 166 8.580 7.643 0.937 1 1 1545 . 1 1 1 A 166 166 LYS HA H 166 4.151 4.030 0.121 1 1 1548 . 1 1 1 A 166 166 LYS C C 166 179.204 178.695 0.509 1 1 1549 . 1 1 1 A 166 166 LYS CA C 166 60.208 59.822 0.386 1 1 1550 . 1 1 1 A 166 166 LYS CB C 166 31.801 32.026 -0.225 1 1 1554 . 1 1 1 A 166 166 LYS N N 166 116.769 118.109 -1.340 1 1 1555 . 1 1 1 A 167 167 ASN H H 167 8.125 8.141 -0.016 1 1 1556 . 1 1 1 A 167 167 ASN HA H 167 4.349 4.535 -0.186 1 1 1559 . 1 1 1 A 167 167 ASN C C 167 175.612 177.588 -1.976 1 1 1560 . 1 1 1 A 167 167 ASN CA C 167 56.686 56.489 0.197 1 1 1561 . 1 1 1 A 167 167 ASN CB C 167 38.650 38.910 -0.260 1 1 1562 . 1 1 1 A 167 167 ASN N N 167 114.773 118.191 -3.418 1 1 1563 . 1 1 1 A 168 168 VAL H H 168 7.365 7.535 -0.170 1 1 1564 . 1 1 1 A 168 168 VAL HA H 168 2.910 4.079 -1.169 1 1 1569 . 1 1 1 A 168 168 VAL C C 168 175.770 177.906 -2.136 1 1 1570 . 1 1 1 A 168 168 VAL CA C 168 67.103 64.223 2.880 1 1 1571 . 1 1 1 A 168 168 VAL CB C 168 30.845 31.695 -0.850 1 1 1574 . 1 1 1 A 168 168 VAL N N 168 117.042 116.521 0.521 1 1 1575 . 1 1 1 A 169 169 PHE H H 169 6.368 8.278 -1.910 1 1 1576 . 1 1 1 A 169 169 PHE HA H 169 3.751 4.219 -0.468 1 1 1579 . 1 1 1 A 169 169 PHE C C 169 178.202 177.334 0.868 1 1 1580 . 1 1 1 A 169 169 PHE CA C 169 61.975 61.431 0.544 1 1 1581 . 1 1 1 A 169 169 PHE CB C 169 38.990 39.196 -0.206 1 1 1582 . 1 1 1 A 169 169 PHE N N 169 113.983 123.989 -10.006 1 1 1583 . 1 1 1 A 170 170 ASP H H 170 7.906 8.394 -0.488 1 1 1584 . 1 1 1 A 170 170 ASP HA H 170 4.338 4.129 0.209 1 1 1586 . 1 1 1 A 170 170 ASP C C 170 178.596 179.415 -0.819 1 1 1587 . 1 1 1 A 170 170 ASP CA C 170 57.540 57.461 0.079 1 1 1588 . 1 1 1 A 170 170 ASP CB C 170 39.481 40.143 -0.662 1 1 1589 . 1 1 1 A 170 170 ASP N N 170 120.793 119.587 1.206 1 1 1590 . 1 1 1 A 171 171 GLU H H 171 8.048 7.991 0.057 1 1 1591 . 1 1 1 A 171 171 GLU HA H 171 3.989 3.941 0.048 1 1 1594 . 1 1 1 A 171 171 GLU C C 171 179.405 179.129 0.276 1 1 1595 . 1 1 1 A 171 171 GLU CA C 171 58.130 59.035 -0.905 1 1 1596 . 1 1 1 A 171 171 GLU CB C 171 27.546 29.315 -1.769 1 1 1598 . 1 1 1 A 171 171 GLU N N 171 115.893 119.719 -3.826 1 1 1599 . 1 1 1 A 172 172 ALA H H 172 7.937 7.945 -0.008 1 1 1600 . 1 1 1 A 172 172 ALA HA H 172 3.759 3.971 -0.212 1 1 1604 . 1 1 1 A 172 172 ALA C C 172 177.968 180.065 -2.097 1 1 1605 . 1 1 1 A 172 172 ALA CA C 172 55.395 55.014 0.381 1 1 1606 . 1 1 1 A 172 172 ALA CB C 172 17.084 18.247 -1.163 1 1 1607 . 1 1 1 A 172 172 ALA N N 172 123.733 122.108 1.625 1 1 1608 . 1 1 1 A 173 173 ILE H H 173 7.645 7.308 0.337 1 1 1609 . 1 1 1 A 173 173 ILE HA H 173 3.314 3.583 -0.269 1 1 1615 . 1 1 1 A 173 173 ILE C C 173 177.082 177.710 -0.628 1 1 1616 . 1 1 1 A 173 173 ILE CA C 173 65.755 64.828 0.927 1 1 1617 . 1 1 1 A 173 173 ILE CB C 173 37.448 37.556 -0.108 1 1 1621 . 1 1 1 A 173 173 ILE N N 173 116.213 119.564 -3.351 1 1 1622 . 1 1 1 A 174 174 LEU H H 174 7.703 7.406 0.297 1 1 1623 . 1 1 1 A 174 174 LEU HA H 174 3.760 3.897 -0.137 1 1 1629 . 1 1 1 A 174 174 LEU C C 174 179.847 178.217 1.630 1 1 1630 . 1 1 1 A 174 174 LEU CA C 174 58.049 58.039 0.010 1 1 1631 . 1 1 1 A 174 174 LEU CB C 174 40.973 41.218 -0.245 1 1 1634 . 1 1 1 A 174 174 LEU N N 174 116.496 121.181 -4.685 1 1 1635 . 1 1 1 A 175 175 ALA H H 175 7.927 7.838 0.089 1 1 1636 . 1 1 1 A 175 175 ALA HA H 175 4.057 3.900 0.157 1 1 1640 . 1 1 1 A 175 175 ALA C C 175 178.605 179.508 -0.903 1 1 1641 . 1 1 1 A 175 175 ALA CA C 175 54.004 55.188 -1.184 1 1 1642 . 1 1 1 A 175 175 ALA CB C 175 18.464 18.263 0.201 1 1 1643 . 1 1 1 A 175 175 ALA N N 175 118.760 120.394 -1.634 1 1 1644 . 1 1 1 A 176 176 ALA H H 176 7.647 7.785 -0.138 1 1 1645 . 1 1 1 A 176 176 ALA HA H 176 4.035 3.901 0.134 1 1 1649 . 1 1 1 A 176 176 ALA C C 176 178.284 179.760 -1.476 1 1 1650 . 1 1 1 A 176 176 ALA CA C 176 53.335 54.762 -1.427 1 1 1651 . 1 1 1 A 176 176 ALA CB C 176 18.985 18.303 0.682 1 1 1652 . 1 1 1 A 176 176 ALA N N 176 117.532 120.226 -2.694 1 1 1653 . 1 1 1 A 177 177 LEU H H 177 7.419 7.606 -0.187 1 1 1654 . 1 1 1 A 177 177 LEU HA H 177 4.210 3.828 0.382 1 1 1658 . 1 1 1 A 177 177 LEU C C 177 174.091 179.501 -5.410 1 1 1659 . 1 1 1 A 177 177 LEU CA C 177 55.035 57.684 -2.649 1 1 1660 . 1 1 1 A 177 177 LEU CB C 177 42.340 41.007 1.333 1 1 1663 . 1 1 1 A 177 177 LEU N N 177 115.220 118.412 -3.192 1 1 9 . 2 1 1 A 2 2 GLN H H 2 8.458 8.071 0.387 1 1 10 . 2 1 1 A 2 2 GLN HA H 2 4.330 4.884 -0.554 1 1 17 . 2 1 1 A 2 2 GLN C C 2 176.274 174.752 1.522 1 1 18 . 2 1 1 A 2 2 GLN CA C 2 55.806 54.744 1.062 1 1 19 . 2 1 1 A 2 2 GLN CB C 2 32.011 30.257 1.754 1 1 21 . 2 1 1 A 2 2 GLN N N 2 121.530 119.486 2.044 1 1 23 . 2 1 1 A 3 3 THR H H 3 7.618 8.786 -1.168 1 1 24 . 2 1 1 A 3 3 THR HA H 3 4.683 5.140 -0.457 1 1 29 . 2 1 1 A 3 3 THR C C 3 173.331 172.829 0.502 1 1 30 . 2 1 1 A 3 3 THR CA C 3 61.640 59.640 2.000 1 1 31 . 2 1 1 A 3 3 THR CB C 3 70.160 72.083 -1.923 1 1 33 . 2 1 1 A 3 3 THR N N 3 120.510 118.931 1.579 1 1 34 . 2 1 1 A 4 4 ILE H H 4 9.077 8.525 0.552 1 1 35 . 2 1 1 A 4 4 ILE HA H 4 4.418 4.610 -0.192 1 1 38 . 2 1 1 A 4 4 ILE C C 4 173.824 174.626 -0.802 1 1 39 . 2 1 1 A 4 4 ILE CA C 4 59.775 60.222 -0.447 1 1 40 . 2 1 1 A 4 4 ILE CB C 4 40.441 39.883 0.558 1 1 44 . 2 1 1 A 4 4 ILE N N 4 127.486 124.650 2.836 1 1 45 . 2 1 1 A 5 5 LYS H H 5 10.666 8.997 1.669 1 1 46 . 2 1 1 A 5 5 LYS HA H 5 4.773 5.142 -0.369 1 1 47 . 2 1 1 A 5 5 LYS C C 5 174.398 175.835 -1.437 1 1 48 . 2 1 1 A 5 5 LYS CA C 5 56.175 55.490 0.685 1 1 49 . 2 1 1 A 5 5 LYS CB C 5 31.965 34.375 -2.410 1 1 52 . 2 1 1 A 5 5 LYS N N 5 131.626 126.945 4.681 1 1 53 . 2 1 1 A 6 6 CYS H H 6 9.473 8.551 0.922 1 1 54 . 2 1 1 A 6 6 CYS HA H 6 5.580 5.174 0.406 1 1 57 . 2 1 1 A 6 6 CYS C C 6 172.210 173.333 -1.123 1 1 58 . 2 1 1 A 6 6 CYS CA C 6 56.195 57.440 -1.245 1 1 59 . 2 1 1 A 6 6 CYS CB C 6 28.604 30.910 -2.306 1 1 60 . 2 1 1 A 6 6 CYS N N 6 131.522 121.384 10.138 1 1 61 . 2 1 1 A 7 7 VAL H H 7 7.607 8.215 -0.608 1 1 62 . 2 1 1 A 7 7 VAL HA H 7 5.014 4.828 0.186 1 1 70 . 2 1 1 A 7 7 VAL C C 7 174.077 174.191 -0.114 1 1 71 . 2 1 1 A 7 7 VAL CA C 7 60.575 61.294 -0.719 1 1 72 . 2 1 1 A 7 7 VAL CB C 7 33.100 34.312 -1.212 1 1 74 . 2 1 1 A 7 7 VAL N N 7 128.326 125.037 3.289 1 1 75 . 2 1 1 A 8 8 VAL H H 8 8.566 8.907 -0.341 1 1 76 . 2 1 1 A 8 8 VAL HA H 8 4.784 5.069 -0.285 1 1 84 . 2 1 1 A 8 8 VAL C C 8 174.443 173.285 1.158 1 1 85 . 2 1 1 A 8 8 VAL CA C 8 61.573 59.414 2.159 1 1 86 . 2 1 1 A 8 8 VAL CB C 8 32.367 35.082 -2.715 1 1 88 . 2 1 1 A 8 8 VAL N N 8 127.481 127.126 0.355 1 1 89 . 2 1 1 A 9 9 VAL H H 9 8.923 8.484 0.439 1 1 90 . 2 1 1 A 9 9 VAL HA H 9 4.419 4.793 -0.374 1 1 98 . 2 1 1 A 9 9 VAL C C 9 173.171 173.382 -0.211 1 1 99 . 2 1 1 A 9 9 VAL CA C 9 58.397 59.609 -1.212 1 1 100 . 2 1 1 A 9 9 VAL CB C 9 35.085 35.843 -0.758 1 1 102 . 2 1 1 A 9 9 VAL N N 9 116.900 125.507 -8.607 1 1 103 . 2 1 1 A 10 10 GLY H H 10 6.267 8.724 -2.457 1 1 104 . 2 1 1 A 10 10 GLY HA2 H 10 4.159 4.488 -0.329 1 1 105 . 2 1 1 A 10 10 GLY HA3 H 10 1.722 4.608 -2.886 1 1 106 . 2 1 1 A 10 10 GLY C C 10 172.378 171.907 0.471 1 1 107 . 2 1 1 A 10 10 GLY CA C 10 42.935 44.496 -1.561 1 1 108 . 2 1 1 A 10 10 GLY N N 10 106.077 113.671 -7.594 1 1 109 . 2 1 1 A 11 11 ASP H H 11 8.399 8.977 -0.578 1 1 110 . 2 1 1 A 11 11 ASP HA H 11 4.737 4.957 -0.220 1 1 112 . 2 1 1 A 11 11 ASP C C 11 177.486 176.619 0.867 1 1 113 . 2 1 1 A 11 11 ASP CA C 11 55.635 54.570 1.065 1 1 114 . 2 1 1 A 11 11 ASP CB C 11 41.076 41.703 -0.627 1 1 115 . 2 1 1 A 11 11 ASP N N 11 119.142 120.820 -1.678 1 1 116 . 2 1 1 A 12 12 GLY H H 12 8.902 9.033 -0.131 1 1 117 . 2 1 1 A 12 12 GLY HA2 H 12 3.954 3.900 0.054 1 1 118 . 2 1 1 A 12 12 GLY HA3 H 12 3.718 3.902 -0.184 1 1 119 . 2 1 1 A 12 12 GLY C C 12 173.624 174.769 -1.145 1 1 120 . 2 1 1 A 12 12 GLY CA C 12 46.955 47.379 -0.424 1 1 121 . 2 1 1 A 12 12 GLY N N 12 104.688 115.528 -10.840 1 1 122 . 2 1 1 A 13 13 ALA H H 13 10.666 8.259 2.407 1 1 123 . 2 1 1 A 13 13 ALA HA H 13 4.067 4.465 -0.398 1 1 127 . 2 1 1 A 13 13 ALA CA C 13 53.455 53.006 0.449 1 1 128 . 2 1 1 A 13 13 ALA CB C 13 15.706 20.002 -4.296 1 1 129 . 2 1 1 A 13 13 ALA N N 13 123.135 127.644 -4.509 1 1 130 . 2 1 1 A 14 14 VAL H H 14 7.663 8.105 -0.442 1 1 131 . 2 1 1 A 14 14 VAL HA H 14 4.146 3.851 0.295 1 1 132 . 2 1 1 A 14 14 VAL C C 14 175.007 176.028 -1.021 1 1 133 . 2 1 1 A 14 14 VAL CA C 14 62.015 64.476 -2.461 1 1 134 . 2 1 1 A 14 14 VAL N N 14 118.803 116.391 2.412 1 1 135 . 2 1 1 A 15 15 GLY H H 15 8.686 8.763 -0.077 1 1 136 . 2 1 1 A 15 15 GLY HA2 H 15 4.838 3.962 0.876 1 1 137 . 2 1 1 A 15 15 GLY HA3 H 15 4.312 3.971 0.341 1 1 138 . 2 1 1 A 15 15 GLY C C 15 175.934 175.204 0.730 1 1 139 . 2 1 1 A 15 15 GLY CA C 15 44.835 45.361 -0.526 1 1 140 . 2 1 1 A 15 15 GLY N N 15 110.360 113.801 -3.441 1 1 141 . 2 1 1 A 16 16 LYS H H 16 10.352 8.071 2.281 1 1 142 . 2 1 1 A 16 16 LYS HA H 16 3.575 4.075 -0.500 1 1 143 . 2 1 1 A 16 16 LYS C C 16 176.582 178.815 -2.233 1 1 144 . 2 1 1 A 16 16 LYS CA C 16 60.695 58.866 1.829 1 1 145 . 2 1 1 A 16 16 LYS CB C 16 29.661 32.114 -2.453 1 1 146 . 2 1 1 A 16 16 LYS N N 16 125.835 120.771 5.064 1 1 147 . 2 1 1 A 17 17 THR H H 17 9.024 8.115 0.909 1 1 148 . 2 1 1 A 17 17 THR HA H 17 3.930 4.015 -0.085 1 1 153 . 2 1 1 A 17 17 THR C C 17 177.493 177.461 0.032 1 1 154 . 2 1 1 A 17 17 THR CA C 17 66.984 65.415 1.569 1 1 155 . 2 1 1 A 17 17 THR CB C 17 67.298 68.200 -0.902 1 1 157 . 2 1 1 A 17 17 THR N N 17 118.089 113.647 4.442 1 1 158 . 2 1 1 A 18 18 CYS H H 18 9.773 8.074 1.699 1 1 159 . 2 1 1 A 18 18 CYS HA H 18 3.580 4.221 -0.641 1 1 162 . 2 1 1 A 18 18 CYS C C 18 176.716 177.087 -0.371 1 1 163 . 2 1 1 A 18 18 CYS CA C 18 65.816 63.346 2.470 1 1 164 . 2 1 1 A 18 18 CYS CB C 18 27.655 27.244 0.411 1 1 165 . 2 1 1 A 18 18 CYS N N 18 119.747 120.505 -0.758 1 1 166 . 2 1 1 A 19 19 LEU H H 19 8.195 7.824 0.371 1 1 167 . 2 1 1 A 19 19 LEU HA H 19 3.940 4.118 -0.178 1 1 174 . 2 1 1 A 19 19 LEU C C 19 177.177 178.899 -1.722 1 1 175 . 2 1 1 A 19 19 LEU CA C 19 59.366 57.818 1.548 1 1 176 . 2 1 1 A 19 19 LEU CB C 19 41.377 41.608 -0.231 1 1 178 . 2 1 1 A 19 19 LEU N N 19 121.557 123.423 -1.866 1 1 179 . 2 1 1 A 20 20 LEU H H 20 7.270 7.716 -0.446 1 1 180 . 2 1 1 A 20 20 LEU HA H 20 3.840 4.091 -0.251 1 1 189 . 2 1 1 A 20 20 LEU C C 20 180.155 179.182 0.973 1 1 190 . 2 1 1 A 20 20 LEU CA C 20 57.629 57.693 -0.064 1 1 191 . 2 1 1 A 20 20 LEU CB C 20 41.498 41.428 0.070 1 1 194 . 2 1 1 A 20 20 LEU N N 20 117.986 117.782 0.204 1 1 195 . 2 1 1 A 21 21 ILE H H 21 8.619 8.319 0.300 1 1 196 . 2 1 1 A 21 21 ILE HA H 21 3.090 3.963 -0.873 1 1 202 . 2 1 1 A 21 21 ILE C C 21 179.125 177.916 1.209 1 1 203 . 2 1 1 A 21 21 ILE CA C 21 66.129 63.051 3.078 1 1 204 . 2 1 1 A 21 21 ILE CB C 21 38.338 37.504 0.834 1 1 208 . 2 1 1 A 21 21 ILE N N 21 121.078 120.424 0.654 1 1 209 . 2 1 1 A 22 22 SER H H 22 8.899 8.084 0.815 1 1 210 . 2 1 1 A 22 22 SER HA H 22 4.517 4.338 0.179 1 1 213 . 2 1 1 A 22 22 SER C C 22 176.876 176.549 0.327 1 1 214 . 2 1 1 A 22 22 SER CA C 22 61.380 61.508 -0.128 1 1 215 . 2 1 1 A 22 22 SER CB C 22 63.882 62.710 1.172 1 1 216 . 2 1 1 A 22 22 SER N N 22 118.286 117.576 0.710 1 1 217 . 2 1 1 A 23 23 TYR H H 23 7.951 7.454 0.497 1 1 218 . 2 1 1 A 23 23 TYR HA H 23 4.264 4.241 0.023 1 1 223 . 2 1 1 A 23 23 TYR C C 23 176.820 177.824 -1.004 1 1 224 . 2 1 1 A 23 23 TYR CA C 23 60.474 61.490 -1.016 1 1 225 . 2 1 1 A 23 23 TYR CB C 23 39.531 38.850 0.681 1 1 226 . 2 1 1 A 23 23 TYR N N 23 117.292 123.960 -6.668 1 1 227 . 2 1 1 A 24 24 THR H H 24 7.702 8.103 -0.401 1 1 228 . 2 1 1 A 24 24 THR HA H 24 3.614 4.099 -0.485 1 1 233 . 2 1 1 A 24 24 THR C C 24 176.500 176.286 0.214 1 1 234 . 2 1 1 A 24 24 THR CA C 24 64.095 65.641 -1.546 1 1 235 . 2 1 1 A 24 24 THR CB C 24 70.437 68.434 2.003 1 1 237 . 2 1 1 A 24 24 THR N N 24 105.659 112.975 -7.316 1 1 238 . 2 1 1 A 25 25 THR H H 25 8.080 8.000 0.080 1 1 239 . 2 1 1 A 25 25 THR HA H 25 4.556 4.270 0.286 1 1 244 . 2 1 1 A 25 25 THR C C 25 175.025 174.826 0.199 1 1 245 . 2 1 1 A 25 25 THR CA C 25 61.975 62.519 -0.544 1 1 246 . 2 1 1 A 25 25 THR CB C 25 72.012 70.193 1.819 1 1 248 . 2 1 1 A 25 25 THR N N 25 109.689 111.896 -2.207 1 1 249 . 2 1 1 A 26 26 ASN H H 26 7.603 7.718 -0.115 1 1 250 . 2 1 1 A 26 26 ASN HA H 26 4.501 4.682 -0.181 1 1 253 . 2 1 1 A 26 26 ASN C C 26 173.259 174.254 -0.995 1 1 254 . 2 1 1 A 26 26 ASN CA C 26 55.218 54.471 0.747 1 1 255 . 2 1 1 A 26 26 ASN CB C 26 38.009 36.470 1.539 1 1 256 . 2 1 1 A 26 26 ASN N N 26 115.569 115.633 -0.064 1 1 257 . 2 1 1 A 27 27 LYS H H 27 7.698 7.501 0.197 1 1 258 . 2 1 1 A 27 27 LYS HA H 27 4.431 4.634 -0.203 1 1 261 . 2 1 1 A 27 27 LYS C C 27 173.500 176.561 -3.061 1 1 262 . 2 1 1 A 27 27 LYS CA C 27 55.163 55.029 0.134 1 1 263 . 2 1 1 A 27 27 LYS CB C 27 35.034 33.011 2.023 1 1 267 . 2 1 1 A 27 27 LYS N N 27 118.253 117.758 0.495 1 1 268 . 2 1 1 A 28 28 PHE H H 28 8.554 8.723 -0.169 1 1 269 . 2 1 1 A 28 28 PHE CA C 28 55.575 62.825 -7.250 1 1 270 . 2 1 1 A 28 28 PHE CB C 28 39.322 37.779 1.543 1 1 271 . 2 1 1 A 28 28 PHE N N 28 125.682 123.492 2.190 1 1 272 . 2 1 1 A 29 29 PRO HA H 29 4.373 3.482 0.891 1 1 274 . 2 1 1 A 29 29 PRO C C 29 173.611 177.857 -4.246 1 1 275 . 2 1 1 A 29 29 PRO CA C 29 61.978 64.659 -2.681 1 1 276 . 2 1 1 A 29 29 PRO CB C 29 30.039 31.179 -1.140 1 1 279 . 2 1 1 A 30 30 SER H H 30 7.993 8.240 -0.247 1 1 280 . 2 1 1 A 30 30 SER HA H 30 4.285 4.203 0.082 1 1 283 . 2 1 1 A 30 30 SER C C 30 174.665 174.329 0.336 1 1 284 . 2 1 1 A 30 30 SER CA C 30 58.948 61.400 -2.452 1 1 285 . 2 1 1 A 30 30 SER CB C 30 64.019 63.180 0.839 1 1 286 . 2 1 1 A 30 30 SER N N 30 116.682 112.987 3.695 1 1 287 . 2 1 1 A 31 31 GLU H H 31 8.198 7.606 0.592 1 1 288 . 2 1 1 A 31 31 GLU HA H 31 4.308 4.111 0.197 1 1 292 . 2 1 1 A 31 31 GLU C C 31 175.157 176.608 -1.451 1 1 293 . 2 1 1 A 31 31 GLU CA C 31 56.846 57.996 -1.150 1 1 294 . 2 1 1 A 31 31 GLU CB C 31 30.113 29.361 0.752 1 1 296 . 2 1 1 A 31 31 GLU N N 31 120.151 119.856 0.295 1 1 297 . 2 1 1 A 32 32 TYR H H 32 7.714 8.934 -1.220 1 1 298 . 2 1 1 A 32 32 TYR HA H 32 4.407 4.292 0.115 1 1 302 . 2 1 1 A 32 32 TYR C C 32 173.544 176.111 -2.567 1 1 303 . 2 1 1 A 32 32 TYR CA C 32 58.368 60.452 -2.084 1 1 304 . 2 1 1 A 32 32 TYR CB C 32 38.614 38.743 -0.129 1 1 305 . 2 1 1 A 32 32 TYR N N 32 118.548 119.763 -1.215 1 1 306 . 2 1 1 A 33 33 VAL H H 33 7.764 8.018 -0.254 1 1 307 . 2 1 1 A 33 33 VAL HA H 33 4.048 3.711 0.337 1 1 315 . 2 1 1 A 33 33 VAL CA C 33 58.575 62.851 -4.276 1 1 316 . 2 1 1 A 33 33 VAL CB C 33 33.600 29.713 3.887 1 1 317 . 2 1 1 A 33 33 VAL N N 33 125.992 116.091 9.901 1 1 318 . 2 1 1 A 34 34 PRO HA H 34 4.215 4.466 -0.251 1 1 320 . 2 1 1 A 34 34 PRO C C 34 175.627 176.397 -0.770 1 1 321 . 2 1 1 A 34 34 PRO CA C 34 61.655 62.915 -1.260 1 1 322 . 2 1 1 A 34 34 PRO CB C 34 31.965 31.970 -0.005 1 1 325 . 2 1 1 A 35 35 ALA H H 35 8.503 8.245 0.258 1 1 326 . 2 1 1 A 35 35 ALA HA H 35 4.190 4.551 -0.361 1 1 330 . 2 1 1 A 35 35 ALA C C 35 178.295 176.036 2.259 1 1 331 . 2 1 1 A 35 35 ALA CA C 35 54.499 51.730 2.769 1 1 332 . 2 1 1 A 35 35 ALA CB C 35 18.235 17.492 0.743 1 1 333 . 2 1 1 A 35 35 ALA N N 35 123.063 124.391 -1.328 1 1 334 . 2 1 1 A 36 36 VAL H H 36 8.032 6.846 1.186 1 1 335 . 2 1 1 A 36 36 VAL HA H 36 4.258 4.764 -0.506 1 1 340 . 2 1 1 A 36 36 VAL CA C 36 60.200 61.109 -0.909 1 1 341 . 2 1 1 A 36 36 VAL CB C 36 29.879 33.862 -3.983 1 1 342 . 2 1 1 A 36 36 VAL N N 36 116.770 118.854 -2.084 1 1 344 . 2 1 1 A 37 37 PHE C C 37 174.502 174.633 -0.131 1 1 345 . 2 1 1 A 37 37 PHE CA C 37 56.175 58.655 -2.480 1 1 346 . 2 1 1 A 37 37 PHE CB C 37 40.231 40.371 -0.140 1 1 347 . 2 1 1 A 38 38 ASP H H 38 7.602 8.774 -1.172 1 1 348 . 2 1 1 A 38 38 ASP HA H 38 4.343 4.344 -0.001 1 1 351 . 2 1 1 A 38 38 ASP C C 38 174.386 176.116 -1.730 1 1 352 . 2 1 1 A 38 38 ASP CA C 38 54.323 55.743 -1.420 1 1 353 . 2 1 1 A 38 38 ASP CB C 38 40.815 39.257 1.558 1 1 354 . 2 1 1 A 38 38 ASP N N 38 125.774 118.494 7.280 1 1 355 . 2 1 1 A 39 39 ASN H H 39 7.917 8.578 -0.661 1 1 356 . 2 1 1 A 39 39 ASN HA H 39 4.303 4.407 -0.104 1 1 360 . 2 1 1 A 39 39 ASN C C 39 173.897 174.478 -0.581 1 1 361 . 2 1 1 A 39 39 ASN CA C 39 54.317 54.053 0.264 1 1 362 . 2 1 1 A 39 39 ASN CB C 39 38.180 36.999 1.181 1 1 363 . 2 1 1 A 39 39 ASN N N 39 117.429 113.931 3.498 1 1 365 . 2 1 1 A 40 40 TYR H H 40 7.726 8.109 -0.383 1 1 366 . 2 1 1 A 40 40 TYR HA H 40 4.513 5.161 -0.648 1 1 370 . 2 1 1 A 40 40 TYR C C 40 172.772 174.070 -1.298 1 1 371 . 2 1 1 A 40 40 TYR CA C 40 57.335 56.690 0.645 1 1 372 . 2 1 1 A 40 40 TYR CB C 40 42.956 42.338 0.618 1 1 373 . 2 1 1 A 40 40 TYR N N 40 122.998 123.735 -0.737 1 1 374 . 2 1 1 A 41 41 ALA H H 41 7.651 8.165 -0.514 1 1 375 . 2 1 1 A 41 41 ALA HA H 41 5.636 5.382 0.254 1 1 379 . 2 1 1 A 41 41 ALA C C 41 175.778 175.552 0.226 1 1 380 . 2 1 1 A 41 41 ALA CA C 41 50.456 49.788 0.668 1 1 381 . 2 1 1 A 41 41 ALA CB C 41 20.492 22.895 -2.403 1 1 382 . 2 1 1 A 41 41 ALA N N 41 127.028 129.431 -2.403 1 1 383 . 2 1 1 A 42 42 VAL H H 42 8.781 8.625 0.156 1 1 384 . 2 1 1 A 42 42 VAL HA H 42 4.564 4.899 -0.335 1 1 389 . 2 1 1 A 42 42 VAL C C 42 173.852 174.882 -1.030 1 1 390 . 2 1 1 A 42 42 VAL CA C 42 59.278 60.689 -1.411 1 1 391 . 2 1 1 A 42 42 VAL CB C 42 35.342 35.140 0.202 1 1 393 . 2 1 1 A 42 42 VAL N N 42 117.471 120.091 -2.620 1 1 394 . 2 1 1 A 43 43 THR H H 43 8.566 8.939 -0.373 1 1 395 . 2 1 1 A 43 43 THR HA H 43 5.124 4.849 0.275 1 1 400 . 2 1 1 A 43 43 THR C C 43 174.210 174.657 -0.447 1 1 401 . 2 1 1 A 43 43 THR CA C 43 62.434 62.197 0.237 1 1 402 . 2 1 1 A 43 43 THR CB C 43 69.296 69.781 -0.485 1 1 404 . 2 1 1 A 43 43 THR N N 43 120.850 123.239 -2.389 1 1 405 . 2 1 1 A 44 44 VAL H H 44 9.442 9.557 -0.115 1 1 406 . 2 1 1 A 44 44 VAL HA H 44 4.367 5.192 -0.825 1 1 411 . 2 1 1 A 44 44 VAL C C 44 174.061 174.312 -0.251 1 1 412 . 2 1 1 A 44 44 VAL CA C 44 60.639 58.549 2.090 1 1 413 . 2 1 1 A 44 44 VAL CB C 44 35.053 35.557 -0.504 1 1 415 . 2 1 1 A 44 44 VAL N N 44 127.764 121.355 6.409 1 1 416 . 2 1 1 A 45 45 MET H H 45 8.513 8.804 -0.291 1 1 417 . 2 1 1 A 45 45 MET HA H 45 5.272 5.813 -0.541 1 1 421 . 2 1 1 A 45 45 MET C C 45 176.395 175.200 1.195 1 1 422 . 2 1 1 A 45 45 MET CA C 45 53.264 53.830 -0.566 1 1 423 . 2 1 1 A 45 45 MET CB C 45 31.692 35.085 -3.393 1 1 424 . 2 1 1 A 45 45 MET N N 45 123.063 121.279 1.784 1 1 425 . 2 1 1 A 46 46 ILE H H 46 9.103 9.230 -0.127 1 1 426 . 2 1 1 A 46 46 ILE HA H 46 4.382 4.601 -0.219 1 1 434 . 2 1 1 A 46 46 ILE C C 46 177.661 176.409 1.252 1 1 435 . 2 1 1 A 46 46 ILE CA C 46 59.755 60.271 -0.516 1 1 436 . 2 1 1 A 46 46 ILE CB C 46 38.913 40.426 -1.513 1 1 440 . 2 1 1 A 46 46 ILE N N 46 125.267 125.185 0.082 1 1 441 . 2 1 1 A 47 47 GLY H H 47 9.385 9.818 -0.433 1 1 442 . 2 1 1 A 47 47 GLY HA2 H 47 4.755 3.866 0.889 1 1 443 . 2 1 1 A 47 47 GLY HA3 H 47 3.851 3.886 -0.035 1 1 444 . 2 1 1 A 47 47 GLY C C 47 175.195 175.529 -0.334 1 1 445 . 2 1 1 A 47 47 GLY CA C 47 47.015 46.388 0.627 1 1 446 . 2 1 1 A 47 47 GLY N N 47 119.278 117.760 1.518 1 1 447 . 2 1 1 A 48 48 GLY H H 48 8.606 8.760 -0.154 1 1 448 . 2 1 1 A 48 48 GLY HA2 H 48 4.140 3.928 0.212 1 1 449 . 2 1 1 A 48 48 GLY HA3 H 48 3.623 3.931 -0.308 1 1 450 . 2 1 1 A 48 48 GLY C C 48 172.844 173.915 -1.071 1 1 451 . 2 1 1 A 48 48 GLY CA C 48 44.889 45.458 -0.569 1 1 452 . 2 1 1 A 48 48 GLY N N 48 104.656 107.878 -3.222 1 1 453 . 2 1 1 A 49 49 GLU H H 49 7.722 7.972 -0.250 1 1 454 . 2 1 1 A 49 49 GLU HA H 49 4.182 4.867 -0.685 1 1 457 . 2 1 1 A 49 49 GLU CA C 49 52.336 53.228 -0.892 1 1 458 . 2 1 1 A 49 49 GLU CB C 49 31.160 31.081 0.079 1 1 459 . 2 1 1 A 49 49 GLU N N 49 120.543 120.999 -0.456 1 1 460 . 2 1 1 A 50 50 PRO HA H 50 4.977 4.862 0.115 1 1 462 . 2 1 1 A 50 50 PRO C C 50 177.922 175.338 2.584 1 1 463 . 2 1 1 A 50 50 PRO CA C 50 62.080 62.571 -0.491 1 1 464 . 2 1 1 A 50 50 PRO CB C 50 32.147 32.249 -0.102 1 1 465 . 2 1 1 A 51 51 TYR H H 51 9.148 9.043 0.105 1 1 466 . 2 1 1 A 51 51 TYR HA H 51 4.683 5.128 -0.445 1 1 470 . 2 1 1 A 51 51 TYR C C 51 176.400 174.553 1.847 1 1 471 . 2 1 1 A 51 51 TYR CA C 51 57.344 56.544 0.800 1 1 472 . 2 1 1 A 51 51 TYR CB C 51 41.669 43.367 -1.698 1 1 473 . 2 1 1 A 51 51 TYR N N 51 121.300 124.120 -2.820 1 1 474 . 2 1 1 A 52 52 THR H H 52 8.889 8.831 0.058 1 1 475 . 2 1 1 A 52 52 THR HA H 52 4.113 5.263 -1.150 1 1 477 . 2 1 1 A 52 52 THR C C 52 172.149 173.462 -1.313 1 1 478 . 2 1 1 A 52 52 THR CA C 52 62.400 61.127 1.273 1 1 479 . 2 1 1 A 52 52 THR CB C 52 69.447 71.652 -2.205 1 1 481 . 2 1 1 A 52 52 THR N N 52 119.482 115.807 3.675 1 1 482 . 2 1 1 A 53 53 LEU H H 53 9.480 8.899 0.581 1 1 483 . 2 1 1 A 53 53 LEU HA H 53 5.030 5.122 -0.092 1 1 491 . 2 1 1 A 53 53 LEU C C 53 174.307 175.722 -1.415 1 1 492 . 2 1 1 A 53 53 LEU CA C 53 53.375 53.018 0.357 1 1 493 . 2 1 1 A 53 53 LEU CB C 53 44.216 44.578 -0.362 1 1 496 . 2 1 1 A 53 53 LEU N N 53 131.364 125.682 5.682 1 1 497 . 2 1 1 A 54 54 GLY H H 54 9.749 8.753 0.996 1 1 498 . 2 1 1 A 54 54 GLY HA2 H 54 4.571 4.076 0.495 1 1 499 . 2 1 1 A 54 54 GLY HA3 H 54 3.577 4.077 -0.500 1 1 500 . 2 1 1 A 54 54 GLY C C 54 171.929 171.999 -0.070 1 1 501 . 2 1 1 A 54 54 GLY CA C 54 45.195 44.494 0.701 1 1 502 . 2 1 1 A 54 54 GLY N N 54 115.640 112.215 3.425 1 1 503 . 2 1 1 A 55 55 LEU H H 55 8.623 8.927 -0.304 1 1 504 . 2 1 1 A 55 55 LEU HA H 55 5.104 4.939 0.165 1 1 510 . 2 1 1 A 55 55 LEU C C 55 176.000 175.522 0.478 1 1 511 . 2 1 1 A 55 55 LEU CA C 55 54.202 53.086 1.116 1 1 512 . 2 1 1 A 55 55 LEU CB C 55 44.057 43.140 0.917 1 1 515 . 2 1 1 A 55 55 LEU N N 55 125.141 126.638 -1.497 1 1 516 . 2 1 1 A 56 56 PHE H H 56 8.735 8.765 -0.030 1 1 517 . 2 1 1 A 56 56 PHE HA H 56 4.821 5.128 -0.307 1 1 521 . 2 1 1 A 56 56 PHE C C 56 173.130 175.147 -2.017 1 1 522 . 2 1 1 A 56 56 PHE CA C 56 56.833 56.547 0.286 1 1 523 . 2 1 1 A 56 56 PHE CB C 56 40.776 41.068 -0.292 1 1 524 . 2 1 1 A 56 56 PHE N N 56 122.065 123.845 -1.780 1 1 525 . 2 1 1 A 57 57 ASP H H 57 9.093 9.250 -0.157 1 1 526 . 2 1 1 A 57 57 ASP HA H 57 4.877 5.268 -0.391 1 1 529 . 2 1 1 A 57 57 ASP C C 57 175.941 176.065 -0.124 1 1 530 . 2 1 1 A 57 57 ASP CA C 57 51.755 52.449 -0.694 1 1 531 . 2 1 1 A 57 57 ASP CB C 57 43.082 42.472 0.610 1 1 532 . 2 1 1 A 57 57 ASP N N 57 124.050 122.232 1.818 1 1 533 . 2 1 1 A 58 58 THR H H 58 8.621 8.559 0.062 1 1 534 . 2 1 1 A 58 58 THR HA H 58 3.905 4.731 -0.826 1 1 535 . 2 1 1 A 58 58 THR C C 58 172.124 174.650 -2.526 1 1 536 . 2 1 1 A 58 58 THR CA C 58 60.335 60.740 -0.405 1 1 537 . 2 1 1 A 58 58 THR CB C 58 74.469 70.608 3.861 1 1 538 . 2 1 1 A 58 58 THR N N 58 109.327 113.019 -3.692 1 1 539 . 2 1 1 A 59 59 ALA H H 59 8.695 8.680 0.015 1 1 540 . 2 1 1 A 59 59 ALA HA H 59 4.565 4.612 -0.047 1 1 544 . 2 1 1 A 59 59 ALA CA C 59 50.475 52.528 -2.053 1 1 545 . 2 1 1 A 59 59 ALA CB C 59 18.224 21.417 -3.193 1 1 546 . 2 1 1 A 59 59 ALA N N 59 123.129 123.324 -0.195 1 1 547 . 2 1 1 A 60 60 GLY H H 60 8.630 8.333 0.297 1 1 548 . 2 1 1 A 60 60 GLY HA2 H 60 4.420 3.993 0.427 1 1 549 . 2 1 1 A 60 60 GLY HA3 H 60 3.902 4.052 -0.150 1 1 550 . 2 1 1 A 60 60 GLY C C 60 173.122 175.566 -2.444 1 1 551 . 2 1 1 A 60 60 GLY CA C 60 46.178 45.894 0.284 1 1 552 . 2 1 1 A 60 60 GLY N N 60 109.449 106.938 2.511 1 1 553 . 2 1 1 A 61 61 GLN H H 61 8.553 7.867 0.686 1 1 554 . 2 1 1 A 61 61 GLN HA H 61 4.492 4.104 0.388 1 1 560 . 2 1 1 A 61 61 GLN C C 61 177.014 176.986 0.028 1 1 561 . 2 1 1 A 61 61 GLN CA C 61 56.895 58.660 -1.765 1 1 562 . 2 1 1 A 61 61 GLN CB C 61 28.863 28.541 0.322 1 1 564 . 2 1 1 A 61 61 GLN N N 61 118.471 119.492 -1.021 1 1 566 . 2 1 1 A 62 62 GLU H H 62 9.082 7.891 1.191 1 1 567 . 2 1 1 A 62 62 GLU HA H 62 4.292 4.529 -0.237 1 1 570 . 2 1 1 A 62 62 GLU C C 62 178.273 177.524 0.749 1 1 571 . 2 1 1 A 62 62 GLU CA C 62 58.361 55.657 2.704 1 1 572 . 2 1 1 A 62 62 GLU CB C 62 28.579 31.090 -2.511 1 1 574 . 2 1 1 A 62 62 GLU N N 62 122.087 118.298 3.789 1 1 575 . 2 1 1 A 63 63 ASP H H 63 8.636 8.739 -0.103 1 1 576 . 2 1 1 A 63 63 ASP HA H 63 4.348 4.317 0.031 1 1 579 . 2 1 1 A 63 63 ASP C C 63 176.712 175.894 0.818 1 1 580 . 2 1 1 A 63 63 ASP CA C 63 55.587 55.170 0.417 1 1 581 . 2 1 1 A 63 63 ASP CB C 63 39.571 39.261 0.310 1 1 582 . 2 1 1 A 63 63 ASP N N 63 117.009 121.320 -4.311 1 1 583 . 2 1 1 A 64 64 TYR H H 64 8.061 7.913 0.148 1 1 584 . 2 1 1 A 64 64 TYR HA H 64 4.609 4.765 -0.156 1 1 587 . 2 1 1 A 64 64 TYR C C 64 176.254 175.996 0.258 1 1 588 . 2 1 1 A 64 64 TYR CA C 64 58.231 57.630 0.601 1 1 589 . 2 1 1 A 64 64 TYR CB C 64 38.650 38.275 0.375 1 1 590 . 2 1 1 A 64 64 TYR N N 64 117.063 119.448 -2.385 1 1 591 . 2 1 1 A 65 65 ASP H H 65 8.064 8.004 0.060 1 1 592 . 2 1 1 A 65 65 ASP HA H 65 4.439 4.617 -0.178 1 1 594 . 2 1 1 A 65 65 ASP C C 65 175.163 178.682 -3.519 1 1 595 . 2 1 1 A 65 65 ASP CA C 65 57.971 57.252 0.719 1 1 596 . 2 1 1 A 65 65 ASP N N 65 122.196 121.450 0.746 1 1 597 . 2 1 1 A 66 66 ARG H H 66 8.537 8.080 0.457 1 1 598 . 2 1 1 A 66 66 ARG HA H 66 4.345 4.063 0.282 1 1 599 . 2 1 1 A 66 66 ARG C C 66 175.009 178.474 -3.465 1 1 600 . 2 1 1 A 66 66 ARG CA C 66 56.217 58.860 -2.643 1 1 601 . 2 1 1 A 66 66 ARG N N 66 122.224 121.220 1.004 1 1 602 . 2 1 1 A 67 67 LEU H H 67 8.336 8.128 0.208 1 1 603 . 2 1 1 A 67 67 LEU HA H 67 4.037 4.123 -0.086 1 1 604 . 2 1 1 A 67 67 LEU CA C 67 61.694 57.579 4.115 1 1 605 . 2 1 1 A 67 67 LEU N N 67 117.734 121.093 -3.359 1 1 607 . 2 1 1 A 69 69 PRO C C 69 178.122 178.899 -0.777 1 1 608 . 2 1 1 A 69 69 PRO CA C 69 63.575 65.420 -1.845 1 1 611 . 2 1 1 A 70 70 LEU H H 70 7.470 7.362 0.108 1 1 612 . 2 1 1 A 70 70 LEU HA H 70 4.031 4.096 -0.065 1 1 621 . 2 1 1 A 70 70 LEU C C 70 178.756 176.817 1.939 1 1 622 . 2 1 1 A 70 70 LEU CA C 70 56.944 57.524 -0.580 1 1 623 . 2 1 1 A 70 70 LEU CB C 70 40.002 41.374 -1.372 1 1 626 . 2 1 1 A 70 70 LEU N N 70 118.335 118.166 0.169 1 1 627 . 2 1 1 A 71 71 SER H H 71 7.882 8.073 -0.191 1 1 628 . 2 1 1 A 71 71 SER HA H 71 4.461 4.268 0.193 1 1 630 . 2 1 1 A 71 71 SER C C 71 179.200 173.899 5.301 1 1 631 . 2 1 1 A 71 71 SER CA C 71 59.710 59.041 0.669 1 1 632 . 2 1 1 A 71 71 SER CB C 71 63.841 60.946 2.895 1 1 633 . 2 1 1 A 71 71 SER N N 71 111.784 113.102 -1.318 1 1 634 . 2 1 1 A 72 72 TYR H H 72 7.362 8.256 -0.894 1 1 635 . 2 1 1 A 72 72 TYR CA C 72 56.002 60.006 -4.004 1 1 636 . 2 1 1 A 72 72 TYR CB C 72 35.144 40.113 -4.969 1 1 637 . 2 1 1 A 72 72 TYR N N 72 119.959 122.216 -2.257 1 1 638 . 2 1 1 A 73 73 PRO HA H 73 4.231 4.430 -0.199 1 1 639 . 2 1 1 A 73 73 PRO C C 73 176.096 175.724 0.372 1 1 640 . 2 1 1 A 73 73 PRO CA C 73 66.055 62.851 3.204 1 1 641 . 2 1 1 A 73 73 PRO CB C 73 35.726 32.166 3.560 1 1 642 . 2 1 1 A 74 74 GLN H H 74 8.995 8.224 0.771 1 1 643 . 2 1 1 A 74 74 GLN HA H 74 3.790 4.873 -1.083 1 1 647 . 2 1 1 A 74 74 GLN C C 74 174.686 174.562 0.124 1 1 648 . 2 1 1 A 74 74 GLN CA C 74 57.416 54.022 3.394 1 1 649 . 2 1 1 A 74 74 GLN CB C 74 25.352 32.485 -7.133 1 1 651 . 2 1 1 A 74 74 GLN N N 74 114.768 121.379 -6.611 1 1 653 . 2 1 1 A 75 75 THR H H 75 7.504 8.694 -1.190 1 1 654 . 2 1 1 A 75 75 THR HA H 75 3.172 5.056 -1.884 1 1 659 . 2 1 1 A 75 75 THR C C 75 173.589 173.036 0.553 1 1 660 . 2 1 1 A 75 75 THR CA C 75 67.162 59.983 7.179 1 1 661 . 2 1 1 A 75 75 THR CB C 75 61.122 71.325 -10.203 1 1 663 . 2 1 1 A 75 75 THR N N 75 116.725 115.211 1.514 1 1 664 . 2 1 1 A 76 76 ASP H H 76 8.865 8.774 0.091 1 1 665 . 2 1 1 A 76 76 ASP HA H 76 4.873 4.934 -0.061 1 1 668 . 2 1 1 A 76 76 ASP C C 76 177.600 175.601 1.999 1 1 669 . 2 1 1 A 76 76 ASP CA C 76 56.105 54.785 1.320 1 1 670 . 2 1 1 A 76 76 ASP CB C 76 44.016 42.202 1.814 1 1 671 . 2 1 1 A 76 76 ASP N N 76 124.192 123.555 0.637 1 1 672 . 2 1 1 A 77 77 VAL H H 77 7.578 7.239 0.339 1 1 673 . 2 1 1 A 77 77 VAL HA H 77 4.706 4.746 -0.040 1 1 681 . 2 1 1 A 77 77 VAL C C 77 171.266 173.446 -2.180 1 1 682 . 2 1 1 A 77 77 VAL CA C 77 60.346 60.970 -0.624 1 1 683 . 2 1 1 A 77 77 VAL CB C 77 32.362 35.462 -3.100 1 1 685 . 2 1 1 A 77 77 VAL N N 77 116.060 119.438 -3.378 1 1 686 . 2 1 1 A 78 78 PHE H H 78 8.287 8.985 -0.698 1 1 687 . 2 1 1 A 78 78 PHE HA H 78 5.646 5.391 0.255 1 1 690 . 2 1 1 A 78 78 PHE C C 78 175.799 173.736 2.063 1 1 691 . 2 1 1 A 78 78 PHE CA C 78 56.686 55.648 1.038 1 1 692 . 2 1 1 A 78 78 PHE CB C 78 43.413 41.805 1.608 1 1 693 . 2 1 1 A 78 78 PHE N N 78 121.935 128.331 -6.396 1 1 694 . 2 1 1 A 79 79 LEU H H 79 8.937 8.592 0.345 1 1 695 . 2 1 1 A 79 79 LEU HA H 79 4.691 5.102 -0.411 1 1 701 . 2 1 1 A 79 79 LEU C C 79 174.059 175.589 -1.530 1 1 702 . 2 1 1 A 79 79 LEU CA C 79 53.575 53.235 0.340 1 1 703 . 2 1 1 A 79 79 LEU CB C 79 41.184 44.518 -3.334 1 1 706 . 2 1 1 A 79 79 LEU N N 79 119.060 128.289 -9.229 1 1 707 . 2 1 1 A 80 80 VAL H H 80 8.828 8.909 -0.081 1 1 708 . 2 1 1 A 80 80 VAL HA H 80 4.138 4.699 -0.561 1 1 716 . 2 1 1 A 80 80 VAL C C 80 174.535 173.988 0.547 1 1 717 . 2 1 1 A 80 80 VAL CA C 80 61.395 58.936 2.459 1 1 718 . 2 1 1 A 80 80 VAL CB C 80 30.602 35.514 -4.912 1 1 721 . 2 1 1 A 80 80 VAL N N 80 124.677 116.932 7.745 1 1 722 . 2 1 1 A 81 81 CYS H H 81 8.795 8.258 0.537 1 1 723 . 2 1 1 A 81 81 CYS HA H 81 5.758 5.240 0.518 1 1 726 . 2 1 1 A 81 81 CYS C C 81 173.980 173.318 0.662 1 1 727 . 2 1 1 A 81 81 CYS CA C 81 57.821 57.462 0.359 1 1 728 . 2 1 1 A 81 81 CYS CB C 81 30.043 30.253 -0.210 1 1 729 . 2 1 1 A 81 81 CYS N N 81 123.745 122.326 1.419 1 1 730 . 2 1 1 A 82 82 PHE H H 82 8.873 8.628 0.245 1 1 731 . 2 1 1 A 82 82 PHE HA H 82 4.532 5.629 -1.097 1 1 735 . 2 1 1 A 82 82 PHE C C 82 171.090 173.168 -2.078 1 1 736 . 2 1 1 A 82 82 PHE CA C 82 56.367 55.695 0.672 1 1 737 . 2 1 1 A 82 82 PHE CB C 82 40.091 42.237 -2.146 1 1 738 . 2 1 1 A 82 82 PHE N N 82 117.718 120.467 -2.749 1 1 739 . 2 1 1 A 83 83 SER H H 83 8.038 8.900 -0.862 1 1 740 . 2 1 1 A 83 83 SER HA H 83 5.204 5.131 0.073 1 1 743 . 2 1 1 A 83 83 SER C C 83 178.547 174.860 3.687 1 1 744 . 2 1 1 A 83 83 SER CA C 83 55.000 56.178 -1.178 1 1 745 . 2 1 1 A 83 83 SER CB C 83 63.051 65.506 -2.455 1 1 746 . 2 1 1 A 83 83 SER N N 83 113.246 114.840 -1.594 1 1 747 . 2 1 1 A 84 84 VAL H H 84 8.609 8.607 0.002 1 1 748 . 2 1 1 A 84 84 VAL HA H 84 4.261 4.510 -0.249 1 1 756 . 2 1 1 A 84 84 VAL C C 84 175.783 176.401 -0.618 1 1 757 . 2 1 1 A 84 84 VAL CA C 84 63.745 62.554 1.191 1 1 758 . 2 1 1 A 84 84 VAL CB C 84 29.811 32.728 -2.917 1 1 760 . 2 1 1 A 84 84 VAL N N 84 120.609 123.680 -3.071 1 1 761 . 2 1 1 A 85 85 VAL H H 85 7.653 7.516 0.137 1 1 762 . 2 1 1 A 85 85 VAL HA H 85 4.508 4.511 -0.003 1 1 767 . 2 1 1 A 85 85 VAL C C 85 173.401 174.911 -1.510 1 1 768 . 2 1 1 A 85 85 VAL CA C 85 59.998 61.363 -1.365 1 1 769 . 2 1 1 A 85 85 VAL CB C 85 29.718 32.015 -2.297 1 1 772 . 2 1 1 A 85 85 VAL N N 85 107.920 116.761 -8.841 1 1 773 . 2 1 1 A 86 86 SER H H 86 7.792 7.917 -0.125 1 1 774 . 2 1 1 A 86 86 SER HA H 86 5.200 4.945 0.255 1 1 777 . 2 1 1 A 86 86 SER CA C 86 53.848 55.491 -1.643 1 1 778 . 2 1 1 A 86 86 SER CB C 86 62.720 63.706 -0.986 1 1 779 . 2 1 1 A 86 86 SER N N 86 112.608 117.942 -5.334 1 1 780 . 2 1 1 A 87 87 PRO C C 87 178.275 177.948 0.327 1 1 781 . 2 1 1 A 87 87 PRO CA C 87 65.655 65.709 -0.054 1 1 782 . 2 1 1 A 87 87 PRO CB C 87 31.961 31.557 0.404 1 1 783 . 2 1 1 A 88 88 SER H H 88 8.928 8.338 0.590 1 1 784 . 2 1 1 A 88 88 SER HA H 88 4.783 4.196 0.587 1 1 787 . 2 1 1 A 88 88 SER C C 88 176.192 177.180 -0.988 1 1 788 . 2 1 1 A 88 88 SER CA C 88 61.630 61.302 0.328 1 1 789 . 2 1 1 A 88 88 SER CB C 88 71.811 62.926 8.885 1 1 790 . 2 1 1 A 88 88 SER N N 88 113.475 112.317 1.158 1 1 791 . 2 1 1 A 89 89 SER H H 89 8.022 8.461 -0.439 1 1 792 . 2 1 1 A 89 89 SER HA H 89 5.047 4.261 0.786 1 1 795 . 2 1 1 A 89 89 SER C C 89 176.417 176.679 -0.262 1 1 796 . 2 1 1 A 89 89 SER CA C 89 61.352 60.778 0.574 1 1 797 . 2 1 1 A 89 89 SER CB C 89 63.930 62.965 0.965 1 1 798 . 2 1 1 A 89 89 SER N N 89 120.789 116.405 4.384 1 1 799 . 2 1 1 A 90 90 PHE H H 90 7.454 8.736 -1.282 1 1 800 . 2 1 1 A 90 90 PHE HA H 90 3.967 3.939 0.028 1 1 804 . 2 1 1 A 90 90 PHE C C 90 177.387 177.240 0.147 1 1 805 . 2 1 1 A 90 90 PHE CA C 90 59.945 61.113 -1.168 1 1 806 . 2 1 1 A 90 90 PHE CB C 90 39.365 39.120 0.245 1 1 807 . 2 1 1 A 90 90 PHE N N 90 124.950 123.642 1.308 1 1 808 . 2 1 1 A 91 91 GLU H H 91 8.245 7.934 0.311 1 1 809 . 2 1 1 A 91 91 GLU HA H 91 3.921 3.806 0.115 1 1 811 . 2 1 1 A 91 91 GLU C C 91 179.695 178.247 1.448 1 1 812 . 2 1 1 A 91 91 GLU CA C 91 59.102 59.843 -0.741 1 1 813 . 2 1 1 A 91 91 GLU CB C 91 28.437 29.627 -1.190 1 1 815 . 2 1 1 A 91 91 GLU N N 91 119.953 119.533 0.420 1 1 816 . 2 1 1 A 92 92 ASN H H 92 8.106 8.074 0.032 1 1 817 . 2 1 1 A 92 92 ASN HA H 92 4.760 4.297 0.463 1 1 821 . 2 1 1 A 92 92 ASN C C 92 178.593 177.531 1.062 1 1 822 . 2 1 1 A 92 92 ASN CA C 92 54.635 56.265 -1.630 1 1 823 . 2 1 1 A 92 92 ASN CB C 92 37.879 38.182 -0.303 1 1 824 . 2 1 1 A 92 92 ASN N N 92 114.315 118.588 -4.273 1 1 826 . 2 1 1 A 93 93 VAL H H 93 7.883 7.828 0.055 1 1 827 . 2 1 1 A 93 93 VAL HA H 93 3.738 2.549 1.189 1 1 835 . 2 1 1 A 93 93 VAL C C 93 174.932 177.674 -2.742 1 1 836 . 2 1 1 A 93 93 VAL CA C 93 68.395 66.603 1.792 1 1 837 . 2 1 1 A 93 93 VAL CB C 93 30.596 30.821 -0.225 1 1 839 . 2 1 1 A 93 93 VAL N N 93 124.067 120.183 3.884 1 1 840 . 2 1 1 A 94 94 LYS H H 94 6.590 7.536 -0.946 1 1 841 . 2 1 1 A 94 94 LYS HA H 94 3.902 4.037 -0.135 1 1 846 . 2 1 1 A 94 94 LYS C C 94 176.885 178.904 -2.019 1 1 847 . 2 1 1 A 94 94 LYS CA C 94 58.135 58.719 -0.584 1 1 848 . 2 1 1 A 94 94 LYS CB C 94 33.163 32.242 0.921 1 1 851 . 2 1 1 A 94 94 LYS N N 94 115.269 118.949 -3.680 1 1 852 . 2 1 1 A 95 95 GLU H H 95 7.719 7.733 -0.014 1 1 853 . 2 1 1 A 95 95 GLU HA H 95 4.089 4.061 0.028 1 1 857 . 2 1 1 A 95 95 GLU C C 95 176.252 177.878 -1.626 1 1 858 . 2 1 1 A 95 95 GLU CA C 95 57.564 58.643 -1.079 1 1 859 . 2 1 1 A 95 95 GLU CB C 95 30.353 29.669 0.684 1 1 861 . 2 1 1 A 95 95 GLU N N 95 112.466 119.685 -7.219 1 1 862 . 2 1 1 A 96 96 LYS H H 96 8.063 7.821 0.242 1 1 863 . 2 1 1 A 96 96 LYS HA H 96 4.250 4.440 -0.190 1 1 867 . 2 1 1 A 96 96 LYS C C 96 177.781 178.337 -0.556 1 1 868 . 2 1 1 A 96 96 LYS CA C 96 57.343 57.493 -0.150 1 1 869 . 2 1 1 A 96 96 LYS CB C 96 35.190 34.183 1.007 1 1 873 . 2 1 1 A 96 96 LYS N N 96 115.613 115.762 -0.149 1 1 874 . 2 1 1 A 97 97 TRP H H 97 7.786 8.381 -0.595 1 1 875 . 2 1 1 A 97 97 TRP HA H 97 4.390 4.417 -0.027 1 1 879 . 2 1 1 A 97 97 TRP C C 97 178.500 179.002 -0.502 1 1 880 . 2 1 1 A 97 97 TRP CA C 97 60.831 60.366 0.465 1 1 881 . 2 1 1 A 97 97 TRP CB C 97 30.818 29.314 1.504 1 1 882 . 2 1 1 A 97 97 TRP N N 97 119.643 120.490 -0.847 1 1 884 . 2 1 1 A 98 98 VAL H H 98 8.604 7.741 0.863 1 1 885 . 2 1 1 A 98 98 VAL HA H 98 3.542 3.650 -0.108 1 1 890 . 2 1 1 A 98 98 VAL CA C 98 68.434 67.464 0.970 1 1 891 . 2 1 1 A 98 98 VAL CB C 98 28.357 29.715 -1.358 1 1 892 . 2 1 1 A 98 98 VAL N N 98 116.894 120.042 -3.148 1 1 893 . 2 1 1 A 99 99 PRO HA H 99 3.932 4.024 -0.092 1 1 895 . 2 1 1 A 99 99 PRO C C 99 177.438 178.492 -1.054 1 1 896 . 2 1 1 A 99 99 PRO CA C 99 66.615 65.972 0.643 1 1 897 . 2 1 1 A 99 99 PRO CB C 99 30.600 30.425 0.175 1 1 899 . 2 1 1 A 100 100 GLU H H 100 7.538 8.064 -0.526 1 1 900 . 2 1 1 A 100 100 GLU HA H 100 4.219 4.174 0.045 1 1 902 . 2 1 1 A 100 100 GLU C C 100 178.891 179.186 -0.295 1 1 903 . 2 1 1 A 100 100 GLU CA C 100 60.795 59.676 1.119 1 1 904 . 2 1 1 A 100 100 GLU CB C 100 29.919 29.549 0.370 1 1 906 . 2 1 1 A 100 100 GLU N N 100 116.622 117.790 -1.168 1 1 907 . 2 1 1 A 101 101 ILE H H 101 8.331 7.466 0.865 1 1 908 . 2 1 1 A 101 101 ILE HA H 101 3.598 3.577 0.021 1 1 909 . 2 1 1 A 101 101 ILE C C 101 177.812 178.001 -0.189 1 1 910 . 2 1 1 A 101 101 ILE CA C 101 66.106 64.698 1.408 1 1 911 . 2 1 1 A 101 101 ILE CB C 101 35.806 37.465 -1.659 1 1 913 . 2 1 1 A 101 101 ILE N N 101 113.806 120.424 -6.618 1 1 914 . 2 1 1 A 102 102 THR H H 102 7.881 7.475 0.406 1 1 915 . 2 1 1 A 102 102 THR HA H 102 3.849 4.070 -0.221 1 1 917 . 2 1 1 A 102 102 THR C C 102 175.953 177.020 -1.067 1 1 918 . 2 1 1 A 102 102 THR CA C 102 64.979 66.791 -1.812 1 1 919 . 2 1 1 A 102 102 THR CB C 102 69.609 68.244 1.365 1 1 920 . 2 1 1 A 102 102 THR N N 102 112.542 117.974 -5.432 1 1 921 . 2 1 1 A 103 103 HIS H H 103 7.598 8.021 -0.423 1 1 922 . 2 1 1 A 103 103 HIS HA H 103 4.217 4.133 0.084 1 1 924 . 2 1 1 A 103 103 HIS C C 103 176.414 177.134 -0.720 1 1 925 . 2 1 1 A 103 103 HIS CA C 103 58.531 59.515 -0.984 1 1 926 . 2 1 1 A 103 103 HIS CB C 103 28.397 29.981 -1.584 1 1 927 . 2 1 1 A 103 103 HIS N N 103 118.843 119.356 -0.513 1 1 928 . 2 1 1 A 104 104 HIS H H 104 7.405 7.337 0.068 1 1 929 . 2 1 1 A 104 104 HIS HA H 104 4.164 4.473 -0.309 1 1 932 . 2 1 1 A 104 104 HIS C C 104 176.660 175.434 1.226 1 1 933 . 2 1 1 A 104 104 HIS CA C 104 59.641 57.428 2.213 1 1 934 . 2 1 1 A 104 104 HIS CB C 104 33.363 30.954 2.409 1 1 935 . 2 1 1 A 104 104 HIS N N 104 113.791 114.058 -0.267 1 1 936 . 2 1 1 A 105 105 CYS H H 105 8.530 8.471 0.059 1 1 937 . 2 1 1 A 105 105 CYS HA H 105 5.015 4.888 0.127 1 1 940 . 2 1 1 A 105 105 CYS CA C 105 56.219 56.343 -0.124 1 1 941 . 2 1 1 A 105 105 CYS N N 105 117.178 116.481 0.697 1 1 942 . 2 1 1 A 106 106 PRO HA H 106 4.477 4.462 0.015 1 1 945 . 2 1 1 A 106 106 PRO C C 106 177.961 176.731 1.230 1 1 946 . 2 1 1 A 106 106 PRO CA C 106 64.735 64.974 -0.239 1 1 947 . 2 1 1 A 106 106 PRO CB C 106 31.961 31.840 0.121 1 1 949 . 2 1 1 A 107 107 LYS H H 107 8.769 7.749 1.020 1 1 950 . 2 1 1 A 107 107 LYS HA H 107 4.771 4.875 -0.104 1 1 955 . 2 1 1 A 107 107 LYS CA C 107 55.895 55.183 0.712 1 1 956 . 2 1 1 A 107 107 LYS CB C 107 31.160 35.013 -3.853 1 1 957 . 2 1 1 A 107 107 LYS N N 107 116.131 117.799 -1.668 1 1 958 . 2 1 1 A 108 108 THR H H 108 7.586 8.709 -1.123 1 1 959 . 2 1 1 A 108 108 THR N N 108 121.415 114.258 7.157 1 1 960 . 2 1 1 A 109 109 PRO HA H 109 4.529 4.256 0.273 1 1 963 . 2 1 1 A 109 109 PRO C C 109 174.846 175.407 -0.561 1 1 964 . 2 1 1 A 109 109 PRO CA C 109 62.495 63.124 -0.629 1 1 965 . 2 1 1 A 109 109 PRO CB C 109 33.563 31.875 1.688 1 1 968 . 2 1 1 A 110 110 PHE H H 110 8.165 8.702 -0.537 1 1 969 . 2 1 1 A 110 110 PHE HA H 110 5.929 5.186 0.743 1 1 971 . 2 1 1 A 110 110 PHE C C 110 172.666 174.263 -1.597 1 1 972 . 2 1 1 A 110 110 PHE CA C 110 54.448 56.298 -1.850 1 1 973 . 2 1 1 A 110 110 PHE CB C 110 43.554 41.198 2.356 1 1 974 . 2 1 1 A 110 110 PHE N N 110 112.128 124.816 -12.688 1 1 975 . 2 1 1 A 111 111 LEU H H 111 8.633 8.580 0.053 1 1 976 . 2 1 1 A 111 111 LEU HA H 111 4.694 5.242 -0.548 1 1 979 . 2 1 1 A 111 111 LEU C C 111 175.472 174.253 1.219 1 1 980 . 2 1 1 A 111 111 LEU CA C 111 54.212 53.607 0.605 1 1 981 . 2 1 1 A 111 111 LEU CB C 111 43.831 45.534 -1.703 1 1 984 . 2 1 1 A 111 111 LEU N N 111 119.654 125.053 -5.399 1 1 985 . 2 1 1 A 112 112 LEU H H 112 8.061 8.667 -0.606 1 1 986 . 2 1 1 A 112 112 LEU HA H 112 5.363 5.274 0.089 1 1 992 . 2 1 1 A 112 112 LEU C C 112 173.631 174.981 -1.350 1 1 993 . 2 1 1 A 112 112 LEU CA C 112 53.826 53.668 0.158 1 1 994 . 2 1 1 A 112 112 LEU CB C 112 44.182 44.458 -0.276 1 1 996 . 2 1 1 A 112 112 LEU N N 112 121.946 129.587 -7.641 1 1 997 . 2 1 1 A 113 113 VAL H H 113 9.178 8.634 0.544 1 1 998 . 2 1 1 A 113 113 VAL HA H 113 4.878 4.490 0.388 1 1 1006 . 2 1 1 A 113 113 VAL C C 113 174.300 175.010 -0.710 1 1 1007 . 2 1 1 A 113 113 VAL CA C 113 59.695 60.479 -0.784 1 1 1008 . 2 1 1 A 113 113 VAL CB C 113 33.323 34.631 -1.308 1 1 1011 . 2 1 1 A 113 113 VAL N N 113 125.807 128.270 -2.463 1 1 1012 . 2 1 1 A 114 114 GLY H H 114 8.731 8.866 -0.135 1 1 1013 . 2 1 1 A 114 114 GLY HA2 H 114 3.688 3.617 0.071 1 1 1014 . 2 1 1 A 114 114 GLY HA3 H 114 3.270 4.123 -0.853 1 1 1015 . 2 1 1 A 114 114 GLY C C 114 173.360 171.690 1.670 1 1 1016 . 2 1 1 A 114 114 GLY CA C 114 44.195 44.360 -0.165 1 1 1017 . 2 1 1 A 114 114 GLY N N 114 115.079 115.077 0.002 1 1 1018 . 2 1 1 A 115 115 THR H H 115 9.181 7.813 1.368 1 1 1019 . 2 1 1 A 115 115 THR HA H 115 4.969 5.095 -0.126 1 1 1024 . 2 1 1 A 115 115 THR C C 115 175.355 173.758 1.597 1 1 1025 . 2 1 1 A 115 115 THR CA C 115 59.375 59.335 0.040 1 1 1026 . 2 1 1 A 115 115 THR CB C 115 70.530 71.751 -1.221 1 1 1028 . 2 1 1 A 115 115 THR N N 115 115.613 117.798 -2.185 1 1 1029 . 2 1 1 A 116 116 GLN H H 116 9.380 8.783 0.597 1 1 1030 . 2 1 1 A 116 116 GLN HA H 116 3.983 4.004 -0.021 1 1 1033 . 2 1 1 A 116 116 GLN C C 116 179.110 175.346 3.764 1 1 1034 . 2 1 1 A 116 116 GLN CA C 116 56.195 57.152 -0.957 1 1 1035 . 2 1 1 A 116 116 GLN CB C 116 23.911 28.359 -4.448 1 1 1037 . 2 1 1 A 116 116 GLN N N 116 108.468 125.707 -17.239 1 1 1038 . 2 1 1 A 117 117 ILE H H 117 7.635 7.661 -0.026 1 1 1039 . 2 1 1 A 117 117 ILE HA H 117 3.814 4.242 -0.428 1 1 1042 . 2 1 1 A 117 117 ILE C C 117 178.002 175.290 2.712 1 1 1043 . 2 1 1 A 117 117 ILE CA C 117 64.828 60.117 4.711 1 1 1044 . 2 1 1 A 117 117 ILE CB C 117 36.327 38.655 -2.328 1 1 1047 . 2 1 1 A 118 118 ASP H H 118 8.732 8.911 -0.179 1 1 1048 . 2 1 1 A 118 118 ASP HA H 118 4.468 4.147 0.321 1 1 1051 . 2 1 1 A 118 118 ASP C C 118 176.888 176.431 0.457 1 1 1052 . 2 1 1 A 118 118 ASP CA C 118 55.527 56.804 -1.277 1 1 1053 . 2 1 1 A 118 118 ASP CB C 118 40.482 38.612 1.870 1 1 1054 . 2 1 1 A 118 118 ASP N N 118 119.049 119.999 -0.950 1 1 1055 . 2 1 1 A 119 119 LEU H H 119 7.914 10.232 -2.318 1 1 1056 . 2 1 1 A 119 119 LEU HA H 119 4.332 4.075 0.257 1 1 1066 . 2 1 1 A 119 119 LEU C C 119 178.015 178.413 -0.398 1 1 1067 . 2 1 1 A 119 119 LEU CA C 119 55.388 57.474 -2.086 1 1 1068 . 2 1 1 A 119 119 LEU CB C 119 41.573 42.129 -0.556 1 1 1071 . 2 1 1 A 119 119 LEU N N 119 117.783 121.160 -3.377 1 1 1072 . 2 1 1 A 120 120 ARG H H 120 7.256 8.129 -0.873 1 1 1073 . 2 1 1 A 120 120 ARG HA H 120 3.561 4.110 -0.549 1 1 1076 . 2 1 1 A 120 120 ARG C C 120 174.671 177.345 -2.674 1 1 1077 . 2 1 1 A 120 120 ARG CA C 120 60.041 58.586 1.455 1 1 1078 . 2 1 1 A 120 120 ARG CB C 120 30.079 29.880 0.199 1 1 1081 . 2 1 1 A 120 120 ARG N N 120 116.747 119.437 -2.690 1 1 1082 . 2 1 1 A 121 121 ASP H H 121 7.078 9.341 -2.263 1 1 1083 . 2 1 1 A 121 121 ASP HA H 121 4.802 4.673 0.129 1 1 1086 . 2 1 1 A 121 121 ASP C C 121 175.364 175.883 -0.519 1 1 1087 . 2 1 1 A 121 121 ASP CA C 121 52.775 53.346 -0.571 1 1 1088 . 2 1 1 A 121 121 ASP CB C 121 41.372 40.244 1.128 1 1 1089 . 2 1 1 A 121 121 ASP N N 121 111.544 115.717 -4.173 1 1 1090 . 2 1 1 A 122 122 ASP H H 122 7.246 7.960 -0.714 1 1 1091 . 2 1 1 A 122 122 ASP HA H 122 4.983 4.782 0.201 1 1 1094 . 2 1 1 A 122 122 ASP CA C 122 51.575 52.739 -1.164 1 1 1095 . 2 1 1 A 122 122 ASP CB C 122 43.576 40.088 3.488 1 1 1096 . 2 1 1 A 122 122 ASP N N 122 122.169 122.328 -0.159 1 1 1097 . 2 1 1 A 123 123 PRO HA H 123 4.132 4.327 -0.195 1 1 1100 . 2 1 1 A 123 123 PRO C C 123 178.982 178.692 0.290 1 1 1101 . 2 1 1 A 123 123 PRO CA C 123 65.824 65.507 0.317 1 1 1102 . 2 1 1 A 123 123 PRO CB C 123 32.041 31.669 0.372 1 1 1104 . 2 1 1 A 124 124 SER H H 124 8.333 8.309 0.024 1 1 1105 . 2 1 1 A 124 124 SER HA H 124 4.762 4.179 0.583 1 1 1108 . 2 1 1 A 124 124 SER C C 124 176.716 176.933 -0.217 1 1 1109 . 2 1 1 A 124 124 SER CA C 124 62.073 61.355 0.718 1 1 1110 . 2 1 1 A 124 124 SER CB C 124 62.373 63.076 -0.703 1 1 1111 . 2 1 1 A 124 124 SER N N 124 112.482 112.837 -0.355 1 1 1112 . 2 1 1 A 125 125 THR H H 125 7.921 7.951 -0.030 1 1 1113 . 2 1 1 A 125 125 THR HA H 125 4.658 3.971 0.687 1 1 1118 . 2 1 1 A 125 125 THR C C 125 175.789 176.906 -1.117 1 1 1119 . 2 1 1 A 125 125 THR CA C 125 67.686 67.011 0.675 1 1 1121 . 2 1 1 A 125 125 THR N N 125 121.820 117.925 3.895 1 1 1122 . 2 1 1 A 126 126 ILE H H 126 8.234 7.595 0.639 1 1 1123 . 2 1 1 A 126 126 ILE HA H 126 3.550 3.781 -0.231 1 1 1126 . 2 1 1 A 126 126 ILE C C 126 179.057 178.126 0.931 1 1 1127 . 2 1 1 A 126 126 ILE CA C 126 65.032 64.556 0.476 1 1 1128 . 2 1 1 A 126 126 ILE CB C 126 37.064 37.484 -0.420 1 1 1132 . 2 1 1 A 126 126 ILE N N 126 121.486 117.158 4.328 1 1 1133 . 2 1 1 A 127 127 GLU H H 127 8.240 8.473 -0.233 1 1 1134 . 2 1 1 A 127 127 GLU HA H 127 4.165 3.983 0.182 1 1 1136 . 2 1 1 A 127 127 GLU C C 127 177.025 179.594 -2.569 1 1 1137 . 2 1 1 A 127 127 GLU CA C 127 59.326 59.679 -0.353 1 1 1138 . 2 1 1 A 127 127 GLU CB C 127 29.330 29.668 -0.338 1 1 1140 . 2 1 1 A 127 127 GLU N N 127 120.249 123.050 -2.801 1 1 1141 . 2 1 1 A 128 128 LYS H H 128 7.919 8.300 -0.381 1 1 1142 . 2 1 1 A 128 128 LYS HA H 128 3.978 4.132 -0.154 1 1 1146 . 2 1 1 A 128 128 LYS C C 128 179.838 179.144 0.694 1 1 1147 . 2 1 1 A 128 128 LYS CA C 128 59.938 59.098 0.840 1 1 1148 . 2 1 1 A 128 128 LYS CB C 128 31.691 32.195 -0.504 1 1 1152 . 2 1 1 A 128 128 LYS N N 128 120.679 121.561 -0.882 1 1 1153 . 2 1 1 A 129 129 LEU H H 129 8.142 8.257 -0.115 1 1 1154 . 2 1 1 A 129 129 LEU HA H 129 4.128 4.158 -0.030 1 1 1160 . 2 1 1 A 129 129 LEU C C 129 179.701 178.851 0.850 1 1 1161 . 2 1 1 A 129 129 LEU CA C 129 57.904 57.509 0.395 1 1 1162 . 2 1 1 A 129 129 LEU CB C 129 41.674 40.728 0.946 1 1 1165 . 2 1 1 A 129 129 LEU N N 129 118.553 119.487 -0.934 1 1 1166 . 2 1 1 A 130 130 ALA H H 130 8.493 8.542 -0.049 1 1 1167 . 2 1 1 A 130 130 ALA HA H 130 4.286 4.318 -0.032 1 1 1171 . 2 1 1 A 130 130 ALA C C 130 182.027 179.842 2.185 1 1 1172 . 2 1 1 A 130 130 ALA CA C 130 55.358 55.781 -0.423 1 1 1173 . 2 1 1 A 130 130 ALA CB C 130 17.069 18.342 -1.273 1 1 1174 . 2 1 1 A 130 130 ALA N N 130 122.578 121.711 0.867 1 1 1175 . 2 1 1 A 131 131 LYS H H 131 8.065 8.006 0.059 1 1 1176 . 2 1 1 A 131 131 LYS HA H 131 4.124 3.997 0.127 1 1 1180 . 2 1 1 A 131 131 LYS C C 131 177.085 179.257 -2.172 1 1 1181 . 2 1 1 A 131 131 LYS CA C 131 59.093 59.444 -0.351 1 1 1182 . 2 1 1 A 131 131 LYS CB C 131 31.782 32.180 -0.398 1 1 1186 . 2 1 1 A 131 131 LYS N N 131 120.347 117.243 3.104 1 1 1187 . 2 1 1 A 132 132 ASN H H 132 7.414 7.494 -0.080 1 1 1188 . 2 1 1 A 132 132 ASN HA H 132 4.983 4.479 0.504 1 1 1193 . 2 1 1 A 132 132 ASN C C 132 173.584 176.357 -2.773 1 1 1194 . 2 1 1 A 132 132 ASN CA C 132 52.195 56.575 -4.380 1 1 1195 . 2 1 1 A 132 132 ASN CB C 132 39.210 39.029 0.181 1 1 1196 . 2 1 1 A 132 132 ASN N N 132 115.667 117.845 -2.178 1 1 1198 . 2 1 1 A 133 133 LYS H H 133 8.105 7.298 0.807 1 1 1199 . 2 1 1 A 133 133 LYS HA H 133 3.956 4.445 -0.489 1 1 1204 . 2 1 1 A 133 133 LYS C C 133 175.311 176.192 -0.881 1 1 1205 . 2 1 1 A 133 133 LYS CA C 133 57.317 57.055 0.262 1 1 1206 . 2 1 1 A 133 133 LYS CB C 133 28.397 34.323 -5.926 1 1 1210 . 2 1 1 A 133 133 LYS N N 133 113.900 113.572 0.328 1 1 1211 . 2 1 1 A 134 134 GLN H H 134 8.107 7.902 0.205 1 1 1212 . 2 1 1 A 134 134 GLN HA H 134 4.777 4.702 0.075 1 1 1218 . 2 1 1 A 134 134 GLN C C 134 174.870 174.279 0.591 1 1 1219 . 2 1 1 A 134 134 GLN CA C 134 53.890 55.314 -1.424 1 1 1220 . 2 1 1 A 134 134 GLN CB C 134 33.095 30.239 2.856 1 1 1222 . 2 1 1 A 134 134 GLN N N 134 116.006 118.304 -2.298 1 1 1224 . 2 1 1 A 135 135 LYS H H 135 7.974 8.523 -0.549 1 1 1225 . 2 1 1 A 135 135 LYS CA C 135 54.077 53.176 0.901 1 1 1226 . 2 1 1 A 135 135 LYS CB C 135 33.433 35.179 -1.746 1 1 1227 . 2 1 1 A 135 135 LYS N N 135 118.646 119.929 -1.283 1 1 1228 . 2 1 1 A 136 136 PRO HA H 136 4.378 4.563 -0.185 1 1 1232 . 2 1 1 A 136 136 PRO C C 136 174.976 175.806 -0.830 1 1 1233 . 2 1 1 A 136 136 PRO CA C 136 62.255 62.417 -0.162 1 1 1234 . 2 1 1 A 136 136 PRO CB C 136 32.147 32.734 -0.587 1 1 1237 . 2 1 1 A 137 137 ILE H H 137 9.147 7.901 1.246 1 1 1238 . 2 1 1 A 137 137 ILE HA H 137 3.918 4.311 -0.393 1 1 1245 . 2 1 1 A 137 137 ILE C C 137 176.126 175.430 0.696 1 1 1246 . 2 1 1 A 137 137 ILE CA C 137 59.969 60.403 -0.434 1 1 1247 . 2 1 1 A 137 137 ILE CB C 137 36.848 39.688 -2.840 1 1 1248 . 2 1 1 A 137 137 ILE N N 137 122.234 121.203 1.031 1 1 1249 . 2 1 1 A 138 138 THR H H 138 7.993 8.808 -0.815 1 1 1250 . 2 1 1 A 138 138 THR HA H 138 4.765 4.953 -0.188 1 1 1255 . 2 1 1 A 138 138 THR CA C 138 59.171 59.352 -0.181 1 1 1256 . 2 1 1 A 138 138 THR CB C 138 68.488 69.343 -0.855 1 1 1257 . 2 1 1 A 138 138 THR N N 138 118.389 121.082 -2.693 1 1 1258 . 2 1 1 A 139 139 PRO HA H 139 4.071 4.418 -0.347 1 1 1261 . 2 1 1 A 139 139 PRO C C 139 177.838 177.935 -0.097 1 1 1262 . 2 1 1 A 139 139 PRO CA C 139 65.575 65.361 0.214 1 1 1263 . 2 1 1 A 139 139 PRO CB C 139 31.401 32.062 -0.661 1 1 1265 . 2 1 1 A 140 140 GLU H H 140 8.569 8.146 0.423 1 1 1266 . 2 1 1 A 140 140 GLU HA H 140 3.000 4.088 -1.088 1 1 1270 . 2 1 1 A 140 140 GLU C C 140 179.357 179.037 0.320 1 1 1271 . 2 1 1 A 140 140 GLU CA C 140 60.137 59.590 0.547 1 1 1272 . 2 1 1 A 140 140 GLU CB C 140 28.357 29.305 -0.948 1 1 1273 . 2 1 1 A 140 140 GLU N N 140 114.648 118.057 -3.409 1 1 1274 . 2 1 1 A 141 141 THR H H 141 7.579 7.701 -0.122 1 1 1275 . 2 1 1 A 141 141 THR HA H 141 3.811 3.886 -0.075 1 1 1280 . 2 1 1 A 141 141 THR C C 141 176.395 176.458 -0.063 1 1 1281 . 2 1 1 A 141 141 THR CA C 141 66.113 66.507 -0.394 1 1 1282 . 2 1 1 A 141 141 THR CB C 141 68.569 68.533 0.036 1 1 1284 . 2 1 1 A 141 141 THR N N 141 118.215 116.990 1.225 1 1 1285 . 2 1 1 A 142 142 ALA H H 142 7.562 7.710 -0.148 1 1 1286 . 2 1 1 A 142 142 ALA HA H 142 3.866 4.210 -0.344 1 1 1290 . 2 1 1 A 142 142 ALA C C 142 178.302 179.717 -1.415 1 1 1291 . 2 1 1 A 142 142 ALA CA C 142 55.332 55.183 0.149 1 1 1292 . 2 1 1 A 142 142 ALA CB C 142 16.606 18.287 -1.681 1 1 1293 . 2 1 1 A 142 142 ALA N N 142 125.491 123.935 1.556 1 1 1294 . 2 1 1 A 143 143 GLU H H 143 8.787 8.360 0.427 1 1 1295 . 2 1 1 A 143 143 GLU HA H 143 3.742 3.593 0.149 1 1 1298 . 2 1 1 A 143 143 GLU C C 143 179.077 178.613 0.464 1 1 1299 . 2 1 1 A 143 143 GLU CA C 143 59.590 58.951 0.639 1 1 1300 . 2 1 1 A 143 143 GLU CB C 143 28.998 29.126 -0.128 1 1 1302 . 2 1 1 A 143 143 GLU N N 143 117.991 118.812 -0.821 1 1 1303 . 2 1 1 A 144 144 LYS H H 144 7.313 7.459 -0.146 1 1 1304 . 2 1 1 A 144 144 LYS HA H 144 3.950 4.133 -0.183 1 1 1307 . 2 1 1 A 144 144 LYS C C 144 177.781 179.070 -1.289 1 1 1308 . 2 1 1 A 144 144 LYS CA C 144 59.370 58.934 0.436 1 1 1309 . 2 1 1 A 144 144 LYS CB C 144 31.718 32.158 -0.440 1 1 1313 . 2 1 1 A 144 144 LYS N N 144 118.815 119.497 -0.682 1 1 1314 . 2 1 1 A 145 145 LEU H H 145 7.326 8.035 -0.709 1 1 1315 . 2 1 1 A 145 145 LEU HA H 145 4.153 4.039 0.114 1 1 1324 . 2 1 1 A 145 145 LEU C C 145 178.162 179.498 -1.336 1 1 1325 . 2 1 1 A 145 145 LEU CA C 145 57.834 57.461 0.373 1 1 1326 . 2 1 1 A 145 145 LEU CB C 145 40.432 40.367 0.065 1 1 1329 . 2 1 1 A 145 145 LEU N N 145 119.589 119.528 0.061 1 1 1330 . 2 1 1 A 146 146 ALA H H 146 8.482 7.571 0.911 1 1 1331 . 2 1 1 A 146 146 ALA HA H 146 3.705 4.048 -0.343 1 1 1335 . 2 1 1 A 146 146 ALA C C 146 178.574 179.384 -0.810 1 1 1336 . 2 1 1 A 146 146 ALA CA C 146 55.543 55.290 0.253 1 1 1337 . 2 1 1 A 146 146 ALA CB C 146 17.663 17.974 -0.311 1 1 1338 . 2 1 1 A 146 146 ALA N N 146 118.809 121.923 -3.114 1 1 1339 . 2 1 1 A 147 147 ARG H H 147 7.714 7.893 -0.179 1 1 1340 . 2 1 1 A 147 147 ARG HA H 147 4.175 4.291 -0.116 1 1 1344 . 2 1 1 A 147 147 ARG C C 147 180.165 176.626 3.539 1 1 1345 . 2 1 1 A 147 147 ARG CA C 147 58.995 57.418 1.577 1 1 1346 . 2 1 1 A 147 147 ARG CB C 147 29.657 29.755 -0.098 1 1 1349 . 2 1 1 A 147 147 ARG N N 147 116.011 117.216 -1.205 1 1 1350 . 2 1 1 A 148 148 ASP H H 148 8.461 7.631 0.830 1 1 1351 . 2 1 1 A 148 148 ASP HA H 148 4.324 4.720 -0.396 1 1 1354 . 2 1 1 A 148 148 ASP C C 148 178.284 177.421 0.863 1 1 1355 . 2 1 1 A 148 148 ASP CA C 148 57.501 55.188 2.313 1 1 1356 . 2 1 1 A 148 148 ASP CB C 148 40.172 42.537 -2.365 1 1 1357 . 2 1 1 A 148 148 ASP N N 148 121.913 117.057 4.856 1 1 1358 . 2 1 1 A 149 149 LEU H H 149 8.364 7.599 0.765 1 1 1359 . 2 1 1 A 149 149 LEU HA H 149 4.365 4.309 0.056 1 1 1368 . 2 1 1 A 149 149 LEU C C 149 174.985 175.817 -0.832 1 1 1369 . 2 1 1 A 149 149 LEU CA C 149 54.315 54.549 -0.234 1 1 1370 . 2 1 1 A 149 149 LEU CB C 149 41.373 41.839 -0.466 1 1 1373 . 2 1 1 A 149 149 LEU N N 149 115.324 116.559 -1.235 1 1 1374 . 2 1 1 A 150 150 LYS H H 150 7.624 7.960 -0.336 1 1 1375 . 2 1 1 A 150 150 LYS HA H 150 3.783 3.948 -0.165 1 1 1379 . 2 1 1 A 150 150 LYS C C 150 177.003 175.766 1.237 1 1 1380 . 2 1 1 A 150 150 LYS CA C 150 57.457 57.383 0.074 1 1 1381 . 2 1 1 A 150 150 LYS CB C 150 27.730 29.241 -1.511 1 1 1385 . 2 1 1 A 150 150 LYS N N 150 111.768 116.214 -4.446 1 1 1386 . 2 1 1 A 151 151 ALA H H 151 8.248 7.761 0.487 1 1 1387 . 2 1 1 A 151 151 ALA HA H 151 2.979 4.408 -1.429 1 1 1391 . 2 1 1 A 151 151 ALA C C 151 177.944 177.855 0.089 1 1 1392 . 2 1 1 A 151 151 ALA CA C 151 51.231 52.583 -1.352 1 1 1393 . 2 1 1 A 151 151 ALA CB C 151 19.707 19.530 0.177 1 1 1394 . 2 1 1 A 151 151 ALA N N 151 119.649 120.372 -0.723 1 1 1395 . 2 1 1 A 152 152 VAL H H 152 8.684 9.232 -0.548 1 1 1396 . 2 1 1 A 152 152 VAL HA H 152 3.478 3.926 -0.448 1 1 1404 . 2 1 1 A 152 152 VAL C C 152 176.367 175.958 0.409 1 1 1405 . 2 1 1 A 152 152 VAL CA C 152 66.127 65.358 0.769 1 1 1406 . 2 1 1 A 152 152 VAL CB C 152 32.285 32.113 0.172 1 1 1409 . 2 1 1 A 152 152 VAL N N 152 120.805 122.832 -2.027 1 1 1410 . 2 1 1 A 153 153 LYS H H 153 6.865 7.696 -0.831 1 1 1411 . 2 1 1 A 153 153 LYS HA H 153 4.344 4.820 -0.476 1 1 1416 . 2 1 1 A 153 153 LYS C C 153 172.951 173.491 -0.540 1 1 1417 . 2 1 1 A 153 153 LYS CA C 153 55.049 55.045 0.004 1 1 1418 . 2 1 1 A 153 153 LYS CB C 153 34.332 36.573 -2.241 1 1 1422 . 2 1 1 A 153 153 LYS N N 153 108.179 118.345 -10.166 1 1 1423 . 2 1 1 A 154 154 TYR H H 154 8.606 8.753 -0.147 1 1 1424 . 2 1 1 A 154 154 TYR HA H 154 5.761 5.774 -0.013 1 1 1426 . 2 1 1 A 154 154 TYR C C 154 174.216 174.136 0.080 1 1 1427 . 2 1 1 A 154 154 TYR CA C 154 55.910 56.247 -0.337 1 1 1428 . 2 1 1 A 154 154 TYR CB C 154 40.457 41.952 -1.495 1 1 1429 . 2 1 1 A 154 154 TYR N N 154 120.249 126.049 -5.800 1 1 1430 . 2 1 1 A 155 155 VAL H H 155 8.271 7.609 0.662 1 1 1431 . 2 1 1 A 155 155 VAL HA H 155 4.138 4.806 -0.668 1 1 1439 . 2 1 1 A 155 155 VAL C C 155 171.653 173.362 -1.709 1 1 1440 . 2 1 1 A 155 155 VAL CA C 155 58.344 59.272 -0.928 1 1 1441 . 2 1 1 A 155 155 VAL CB C 155 34.645 35.898 -1.253 1 1 1444 . 2 1 1 A 155 155 VAL N N 155 121.448 121.396 0.052 1 1 1445 . 2 1 1 A 156 156 GLU H H 156 8.030 8.575 -0.545 1 1 1446 . 2 1 1 A 156 156 GLU HA H 156 5.393 4.936 0.457 1 1 1449 . 2 1 1 A 156 156 GLU C C 156 175.890 175.598 0.292 1 1 1450 . 2 1 1 A 156 156 GLU CA C 156 53.775 54.842 -1.067 1 1 1451 . 2 1 1 A 156 156 GLU CB C 156 31.521 32.206 -0.685 1 1 1453 . 2 1 1 A 156 156 GLU N N 156 113.147 121.182 -8.035 1 1 1454 . 2 1 1 A 157 157 CYS H H 157 8.838 9.260 -0.422 1 1 1455 . 2 1 1 A 157 157 CYS HA H 157 5.324 5.273 0.051 1 1 1458 . 2 1 1 A 157 157 CYS C C 157 171.554 172.401 -0.847 1 1 1459 . 2 1 1 A 157 157 CYS CA C 157 55.749 56.794 -1.045 1 1 1460 . 2 1 1 A 157 157 CYS CB C 157 32.041 31.164 0.877 1 1 1461 . 2 1 1 A 157 157 CYS N N 157 111.910 120.632 -8.722 1 1 1462 . 2 1 1 A 158 158 SER H H 158 8.277 8.824 -0.547 1 1 1463 . 2 1 1 A 158 158 SER HA H 158 5.211 4.800 0.411 1 1 1466 . 2 1 1 A 158 158 SER C C 158 176.246 174.895 1.351 1 1 1467 . 2 1 1 A 158 158 SER CA C 158 55.892 56.267 -0.375 1 1 1468 . 2 1 1 A 158 158 SER CB C 158 65.035 64.662 0.373 1 1 1469 . 2 1 1 A 158 158 SER N N 158 110.284 117.828 -7.544 1 1 1470 . 2 1 1 A 159 159 ALA H H 159 9.297 8.918 0.379 1 1 1471 . 2 1 1 A 159 159 ALA HA H 159 4.210 4.022 0.188 1 1 1475 . 2 1 1 A 159 159 ALA C C 159 177.030 179.731 -2.701 1 1 1476 . 2 1 1 A 159 159 ALA CA C 159 54.522 54.743 -0.221 1 1 1477 . 2 1 1 A 159 159 ALA CB C 159 18.828 18.352 0.476 1 1 1478 . 2 1 1 A 159 159 ALA N N 159 132.318 130.773 1.545 1 1 1479 . 2 1 1 A 160 160 LEU H H 160 7.361 7.524 -0.163 1 1 1480 . 2 1 1 A 160 160 LEU HA H 160 3.307 3.375 -0.068 1 1 1485 . 2 1 1 A 160 160 LEU C C 160 177.619 176.445 1.174 1 1 1486 . 2 1 1 A 160 160 LEU CA C 160 57.497 56.493 1.004 1 1 1487 . 2 1 1 A 160 160 LEU CB C 160 43.255 42.070 1.185 1 1 1490 . 2 1 1 A 160 160 LEU N N 160 118.308 117.520 0.788 1 1 1491 . 2 1 1 A 161 161 THR H H 161 8.109 7.459 0.650 1 1 1492 . 2 1 1 A 161 161 THR HA H 161 4.218 4.745 -0.527 1 1 1497 . 2 1 1 A 161 161 THR C C 161 176.064 174.466 1.598 1 1 1498 . 2 1 1 A 161 161 THR CA C 161 61.435 59.266 2.169 1 1 1499 . 2 1 1 A 161 161 THR CB C 161 69.809 72.146 -2.337 1 1 1501 . 2 1 1 A 161 161 THR N N 161 106.273 110.411 -4.138 1 1 1502 . 2 1 1 A 162 162 GLN H H 162 7.457 8.768 -1.311 1 1 1503 . 2 1 1 A 162 162 GLN HA H 162 3.923 4.347 -0.424 1 1 1509 . 2 1 1 A 162 162 GLN C C 162 174.988 176.773 -1.785 1 1 1510 . 2 1 1 A 162 162 GLN CA C 162 59.015 57.499 1.516 1 1 1511 . 2 1 1 A 162 162 GLN CB C 162 25.425 28.372 -2.947 1 1 1513 . 2 1 1 A 162 162 GLN N N 162 112.744 119.154 -6.410 1 1 1515 . 2 1 1 A 163 163 LYS H H 163 7.831 7.604 0.227 1 1 1516 . 2 1 1 A 163 163 LYS HA H 163 4.163 4.265 -0.102 1 1 1519 . 2 1 1 A 163 163 LYS C C 163 177.322 177.852 -0.530 1 1 1520 . 2 1 1 A 163 163 LYS CA C 163 58.055 57.036 1.019 1 1 1521 . 2 1 1 A 163 163 LYS CB C 163 32.041 32.217 -0.176 1 1 1525 . 2 1 1 A 163 163 LYS N N 163 124.132 118.392 5.740 1 1 1526 . 2 1 1 A 164 164 GLY H H 164 9.133 7.757 1.376 1 1 1527 . 2 1 1 A 164 164 GLY HA2 H 164 4.293 3.757 0.536 1 1 1528 . 2 1 1 A 164 164 GLY HA3 H 164 3.860 3.765 0.095 1 1 1529 . 2 1 1 A 164 164 GLY C C 164 174.825 175.334 -0.509 1 1 1530 . 2 1 1 A 164 164 GLY CA C 164 46.375 46.811 -0.436 1 1 1531 . 2 1 1 A 164 164 GLY N N 164 114.473 108.743 5.730 1 1 1532 . 2 1 1 A 165 165 LEU H H 165 7.400 8.396 -0.996 1 1 1533 . 2 1 1 A 165 165 LEU HA H 165 3.792 4.218 -0.426 1 1 1538 . 2 1 1 A 165 165 LEU C C 165 176.722 179.379 -2.657 1 1 1539 . 2 1 1 A 165 165 LEU CA C 165 58.737 57.816 0.921 1 1 1540 . 2 1 1 A 165 165 LEU CB C 165 43.498 41.710 1.788 1 1 1543 . 2 1 1 A 165 165 LEU N N 165 121.187 122.250 -1.063 1 1 1544 . 2 1 1 A 166 166 LYS H H 166 8.580 8.122 0.458 1 1 1545 . 2 1 1 A 166 166 LYS HA H 166 4.151 3.986 0.165 1 1 1548 . 2 1 1 A 166 166 LYS C C 166 179.204 178.926 0.278 1 1 1549 . 2 1 1 A 166 166 LYS CA C 166 60.208 59.773 0.435 1 1 1550 . 2 1 1 A 166 166 LYS CB C 166 31.801 32.130 -0.329 1 1 1554 . 2 1 1 A 166 166 LYS N N 166 116.769 118.190 -1.421 1 1 1555 . 2 1 1 A 167 167 ASN H H 167 8.125 7.676 0.449 1 1 1556 . 2 1 1 A 167 167 ASN HA H 167 4.349 4.724 -0.375 1 1 1559 . 2 1 1 A 167 167 ASN C C 167 175.612 177.753 -2.141 1 1 1560 . 2 1 1 A 167 167 ASN CA C 167 56.686 55.548 1.138 1 1 1561 . 2 1 1 A 167 167 ASN CB C 167 38.650 38.829 -0.179 1 1 1562 . 2 1 1 A 167 167 ASN N N 167 114.773 117.624 -2.851 1 1 1563 . 2 1 1 A 168 168 VAL H H 168 7.365 7.842 -0.477 1 1 1564 . 2 1 1 A 168 168 VAL HA H 168 2.910 3.656 -0.746 1 1 1569 . 2 1 1 A 168 168 VAL C C 168 175.770 178.082 -2.312 1 1 1570 . 2 1 1 A 168 168 VAL CA C 168 67.103 65.810 1.293 1 1 1571 . 2 1 1 A 168 168 VAL CB C 168 30.845 31.162 -0.317 1 1 1574 . 2 1 1 A 168 168 VAL N N 168 117.042 120.142 -3.100 1 1 1575 . 2 1 1 A 169 169 PHE H H 169 6.368 9.217 -2.849 1 1 1576 . 2 1 1 A 169 169 PHE HA H 169 3.751 4.237 -0.486 1 1 1579 . 2 1 1 A 169 169 PHE C C 169 178.202 177.181 1.021 1 1 1580 . 2 1 1 A 169 169 PHE CA C 169 61.975 61.811 0.164 1 1 1581 . 2 1 1 A 169 169 PHE CB C 169 38.990 39.236 -0.246 1 1 1582 . 2 1 1 A 169 169 PHE N N 169 113.983 121.279 -7.296 1 1 1583 . 2 1 1 A 170 170 ASP H H 170 7.906 8.458 -0.552 1 1 1584 . 2 1 1 A 170 170 ASP HA H 170 4.338 4.220 0.118 1 1 1586 . 2 1 1 A 170 170 ASP C C 170 178.596 179.187 -0.591 1 1 1587 . 2 1 1 A 170 170 ASP CA C 170 57.540 57.290 0.250 1 1 1588 . 2 1 1 A 170 170 ASP CB C 170 39.481 39.980 -0.499 1 1 1589 . 2 1 1 A 170 170 ASP N N 170 120.793 119.196 1.597 1 1 1590 . 2 1 1 A 171 171 GLU H H 171 8.048 8.004 0.044 1 1 1591 . 2 1 1 A 171 171 GLU HA H 171 3.989 3.951 0.038 1 1 1594 . 2 1 1 A 171 171 GLU C C 171 179.405 179.220 0.185 1 1 1595 . 2 1 1 A 171 171 GLU CA C 171 58.130 58.865 -0.735 1 1 1596 . 2 1 1 A 171 171 GLU CB C 171 27.546 29.146 -1.600 1 1 1598 . 2 1 1 A 171 171 GLU N N 171 115.893 119.337 -3.444 1 1 1599 . 2 1 1 A 172 172 ALA H H 172 7.937 8.083 -0.146 1 1 1600 . 2 1 1 A 172 172 ALA HA H 172 3.759 3.921 -0.162 1 1 1604 . 2 1 1 A 172 172 ALA C C 172 177.968 179.382 -1.414 1 1 1605 . 2 1 1 A 172 172 ALA CA C 172 55.395 55.202 0.193 1 1 1606 . 2 1 1 A 172 172 ALA CB C 172 17.084 17.691 -0.607 1 1 1607 . 2 1 1 A 172 172 ALA N N 172 123.733 122.177 1.556 1 1 1608 . 2 1 1 A 173 173 ILE H H 173 7.645 7.083 0.562 1 1 1609 . 2 1 1 A 173 173 ILE HA H 173 3.314 3.548 -0.234 1 1 1615 . 2 1 1 A 173 173 ILE C C 173 177.082 178.171 -1.089 1 1 1616 . 2 1 1 A 173 173 ILE CA C 173 65.755 64.417 1.338 1 1 1617 . 2 1 1 A 173 173 ILE CB C 173 37.448 37.698 -0.250 1 1 1621 . 2 1 1 A 173 173 ILE N N 173 116.213 118.530 -2.317 1 1 1622 . 2 1 1 A 174 174 LEU H H 174 7.703 7.632 0.071 1 1 1623 . 2 1 1 A 174 174 LEU HA H 174 3.760 3.916 -0.156 1 1 1629 . 2 1 1 A 174 174 LEU C C 174 179.847 178.210 1.637 1 1 1630 . 2 1 1 A 174 174 LEU CA C 174 58.049 57.943 0.106 1 1 1631 . 2 1 1 A 174 174 LEU CB C 174 40.973 41.181 -0.208 1 1 1634 . 2 1 1 A 174 174 LEU N N 174 116.496 121.040 -4.544 1 1 1635 . 2 1 1 A 175 175 ALA H H 175 7.927 8.425 -0.498 1 1 1636 . 2 1 1 A 175 175 ALA HA H 175 4.057 3.926 0.131 1 1 1640 . 2 1 1 A 175 175 ALA C C 175 178.605 179.543 -0.938 1 1 1641 . 2 1 1 A 175 175 ALA CA C 175 54.004 55.065 -1.061 1 1 1642 . 2 1 1 A 175 175 ALA CB C 175 18.464 18.077 0.387 1 1 1643 . 2 1 1 A 175 175 ALA N N 175 118.760 120.600 -1.840 1 1 1644 . 2 1 1 A 176 176 ALA H H 176 7.647 7.795 -0.148 1 1 1645 . 2 1 1 A 176 176 ALA HA H 176 4.035 4.042 -0.007 1 1 1649 . 2 1 1 A 176 176 ALA C C 176 178.284 179.734 -1.450 1 1 1650 . 2 1 1 A 176 176 ALA CA C 176 53.335 54.901 -1.566 1 1 1651 . 2 1 1 A 176 176 ALA CB C 176 18.985 17.994 0.991 1 1 1652 . 2 1 1 A 176 176 ALA N N 176 117.532 120.693 -3.161 1 1 1653 . 2 1 1 A 177 177 LEU H H 177 7.419 7.954 -0.535 1 1 1654 . 2 1 1 A 177 177 LEU HA H 177 4.210 3.914 0.296 1 1 1658 . 2 1 1 A 177 177 LEU C C 177 174.091 179.445 -5.354 1 1 1659 . 2 1 1 A 177 177 LEU CA C 177 55.035 57.760 -2.725 1 1 1660 . 2 1 1 A 177 177 LEU CB C 177 42.340 41.356 0.984 1 1 1663 . 2 1 1 A 177 177 LEU N N 177 115.220 118.726 -3.506 1 1 9 . 3 1 1 A 2 2 GLN H H 2 8.458 8.409 0.049 1 1 10 . 3 1 1 A 2 2 GLN HA H 2 4.330 4.190 0.140 1 1 17 . 3 1 1 A 2 2 GLN C C 2 176.274 176.124 0.150 1 1 18 . 3 1 1 A 2 2 GLN CA C 2 55.806 58.710 -2.904 1 1 19 . 3 1 1 A 2 2 GLN CB C 2 32.011 29.370 2.641 1 1 21 . 3 1 1 A 2 2 GLN N N 2 121.530 121.357 0.173 1 1 23 . 3 1 1 A 3 3 THR H H 3 7.618 7.984 -0.366 1 1 24 . 3 1 1 A 3 3 THR HA H 3 4.683 4.847 -0.164 1 1 29 . 3 1 1 A 3 3 THR C C 3 173.331 173.583 -0.252 1 1 30 . 3 1 1 A 3 3 THR CA C 3 61.640 61.927 -0.287 1 1 31 . 3 1 1 A 3 3 THR CB C 3 70.160 71.071 -0.911 1 1 33 . 3 1 1 A 3 3 THR N N 3 120.510 112.502 8.008 1 1 34 . 3 1 1 A 4 4 ILE H H 4 9.077 9.246 -0.169 1 1 35 . 3 1 1 A 4 4 ILE HA H 4 4.418 4.665 -0.247 1 1 38 . 3 1 1 A 4 4 ILE C C 4 173.824 174.708 -0.884 1 1 39 . 3 1 1 A 4 4 ILE CA C 4 59.775 60.333 -0.558 1 1 40 . 3 1 1 A 4 4 ILE CB C 4 40.441 39.789 0.652 1 1 44 . 3 1 1 A 4 4 ILE N N 4 127.486 126.211 1.275 1 1 45 . 3 1 1 A 5 5 LYS H H 5 10.666 8.853 1.813 1 1 46 . 3 1 1 A 5 5 LYS HA H 5 4.773 4.721 0.052 1 1 47 . 3 1 1 A 5 5 LYS C C 5 174.398 175.815 -1.417 1 1 48 . 3 1 1 A 5 5 LYS CA C 5 56.175 55.769 0.406 1 1 49 . 3 1 1 A 5 5 LYS CB C 5 31.965 33.311 -1.346 1 1 52 . 3 1 1 A 5 5 LYS N N 5 131.626 127.153 4.473 1 1 53 . 3 1 1 A 6 6 CYS H H 6 9.473 8.654 0.819 1 1 54 . 3 1 1 A 6 6 CYS HA H 6 5.580 5.145 0.435 1 1 57 . 3 1 1 A 6 6 CYS C C 6 172.210 173.300 -1.090 1 1 58 . 3 1 1 A 6 6 CYS CA C 6 56.195 57.820 -1.625 1 1 59 . 3 1 1 A 6 6 CYS CB C 6 28.604 31.242 -2.638 1 1 60 . 3 1 1 A 6 6 CYS N N 6 131.522 121.406 10.116 1 1 61 . 3 1 1 A 7 7 VAL H H 7 7.607 8.646 -1.039 1 1 62 . 3 1 1 A 7 7 VAL HA H 7 5.014 4.669 0.345 1 1 70 . 3 1 1 A 7 7 VAL C C 7 174.077 174.879 -0.802 1 1 71 . 3 1 1 A 7 7 VAL CA C 7 60.575 61.223 -0.648 1 1 72 . 3 1 1 A 7 7 VAL CB C 7 33.100 33.840 -0.740 1 1 74 . 3 1 1 A 7 7 VAL N N 7 128.326 124.938 3.388 1 1 75 . 3 1 1 A 8 8 VAL H H 8 8.566 8.240 0.326 1 1 76 . 3 1 1 A 8 8 VAL HA H 8 4.784 4.903 -0.119 1 1 84 . 3 1 1 A 8 8 VAL C C 8 174.443 174.686 -0.243 1 1 85 . 3 1 1 A 8 8 VAL CA C 8 61.573 60.852 0.721 1 1 86 . 3 1 1 A 8 8 VAL CB C 8 32.367 34.033 -1.666 1 1 88 . 3 1 1 A 8 8 VAL N N 8 127.481 127.032 0.449 1 1 89 . 3 1 1 A 9 9 VAL H H 9 8.923 8.045 0.878 1 1 90 . 3 1 1 A 9 9 VAL HA H 9 4.419 4.828 -0.409 1 1 98 . 3 1 1 A 9 9 VAL C C 9 173.171 173.122 0.049 1 1 99 . 3 1 1 A 9 9 VAL CA C 9 58.397 59.910 -1.513 1 1 100 . 3 1 1 A 9 9 VAL CB C 9 35.085 35.591 -0.506 1 1 102 . 3 1 1 A 9 9 VAL N N 9 116.900 124.652 -7.752 1 1 103 . 3 1 1 A 10 10 GLY H H 10 6.267 8.798 -2.531 1 1 104 . 3 1 1 A 10 10 GLY HA2 H 10 4.159 4.383 -0.224 1 1 105 . 3 1 1 A 10 10 GLY HA3 H 10 1.722 4.441 -2.719 1 1 106 . 3 1 1 A 10 10 GLY C C 10 172.378 171.775 0.603 1 1 107 . 3 1 1 A 10 10 GLY CA C 10 42.935 44.086 -1.151 1 1 108 . 3 1 1 A 10 10 GLY N N 10 106.077 113.728 -7.651 1 1 109 . 3 1 1 A 11 11 ASP H H 11 8.399 8.223 0.176 1 1 110 . 3 1 1 A 11 11 ASP HA H 11 4.737 5.032 -0.295 1 1 112 . 3 1 1 A 11 11 ASP C C 11 177.486 176.238 1.248 1 1 113 . 3 1 1 A 11 11 ASP CA C 11 55.635 53.708 1.927 1 1 114 . 3 1 1 A 11 11 ASP CB C 11 41.076 41.747 -0.671 1 1 115 . 3 1 1 A 11 11 ASP N N 11 119.142 121.607 -2.465 1 1 116 . 3 1 1 A 12 12 GLY H H 12 8.902 9.072 -0.170 1 1 117 . 3 1 1 A 12 12 GLY HA2 H 12 3.954 3.949 0.005 1 1 118 . 3 1 1 A 12 12 GLY HA3 H 12 3.718 3.951 -0.233 1 1 119 . 3 1 1 A 12 12 GLY C C 12 173.624 174.781 -1.157 1 1 120 . 3 1 1 A 12 12 GLY CA C 12 46.955 47.166 -0.211 1 1 121 . 3 1 1 A 12 12 GLY N N 12 104.688 113.492 -8.804 1 1 122 . 3 1 1 A 13 13 ALA H H 13 10.666 8.052 2.614 1 1 123 . 3 1 1 A 13 13 ALA HA H 13 4.067 4.518 -0.451 1 1 127 . 3 1 1 A 13 13 ALA CA C 13 53.455 51.536 1.919 1 1 128 . 3 1 1 A 13 13 ALA CB C 13 15.706 19.969 -4.263 1 1 129 . 3 1 1 A 13 13 ALA N N 13 123.135 121.538 1.597 1 1 130 . 3 1 1 A 14 14 VAL H H 14 7.663 8.665 -1.002 1 1 131 . 3 1 1 A 14 14 VAL HA H 14 4.146 3.713 0.433 1 1 132 . 3 1 1 A 14 14 VAL C C 14 175.007 177.563 -2.556 1 1 133 . 3 1 1 A 14 14 VAL CA C 14 62.015 66.329 -4.314 1 1 134 . 3 1 1 A 14 14 VAL N N 14 118.803 123.952 -5.149 1 1 135 . 3 1 1 A 15 15 GLY H H 15 8.686 8.097 0.589 1 1 136 . 3 1 1 A 15 15 GLY HA2 H 15 4.838 4.105 0.733 1 1 137 . 3 1 1 A 15 15 GLY HA3 H 15 4.312 4.112 0.200 1 1 138 . 3 1 1 A 15 15 GLY C C 15 175.934 175.386 0.548 1 1 139 . 3 1 1 A 15 15 GLY CA C 15 44.835 46.115 -1.280 1 1 140 . 3 1 1 A 15 15 GLY N N 15 110.360 108.766 1.594 1 1 141 . 3 1 1 A 16 16 LYS H H 16 10.352 7.839 2.513 1 1 142 . 3 1 1 A 16 16 LYS HA H 16 3.575 3.903 -0.328 1 1 143 . 3 1 1 A 16 16 LYS C C 16 176.582 178.635 -2.053 1 1 144 . 3 1 1 A 16 16 LYS CA C 16 60.695 58.742 1.953 1 1 145 . 3 1 1 A 16 16 LYS CB C 16 29.661 32.137 -2.476 1 1 146 . 3 1 1 A 16 16 LYS N N 16 125.835 121.348 4.487 1 1 147 . 3 1 1 A 17 17 THR H H 17 9.024 8.037 0.987 1 1 148 . 3 1 1 A 17 17 THR HA H 17 3.930 4.056 -0.126 1 1 153 . 3 1 1 A 17 17 THR C C 17 177.493 177.482 0.011 1 1 154 . 3 1 1 A 17 17 THR CA C 17 66.984 65.281 1.703 1 1 155 . 3 1 1 A 17 17 THR CB C 17 67.298 68.034 -0.736 1 1 157 . 3 1 1 A 17 17 THR N N 17 118.089 114.123 3.966 1 1 158 . 3 1 1 A 18 18 CYS H H 18 9.773 8.187 1.586 1 1 159 . 3 1 1 A 18 18 CYS HA H 18 3.580 4.138 -0.558 1 1 162 . 3 1 1 A 18 18 CYS C C 18 176.716 177.116 -0.400 1 1 163 . 3 1 1 A 18 18 CYS CA C 18 65.816 63.116 2.700 1 1 164 . 3 1 1 A 18 18 CYS CB C 18 27.655 27.177 0.478 1 1 165 . 3 1 1 A 18 18 CYS N N 18 119.747 120.253 -0.506 1 1 166 . 3 1 1 A 19 19 LEU H H 19 8.195 7.777 0.418 1 1 167 . 3 1 1 A 19 19 LEU HA H 19 3.940 4.119 -0.179 1 1 174 . 3 1 1 A 19 19 LEU C C 19 177.177 179.051 -1.874 1 1 175 . 3 1 1 A 19 19 LEU CA C 19 59.366 57.688 1.678 1 1 176 . 3 1 1 A 19 19 LEU CB C 19 41.377 41.692 -0.315 1 1 178 . 3 1 1 A 19 19 LEU N N 19 121.557 123.142 -1.585 1 1 179 . 3 1 1 A 20 20 LEU H H 20 7.270 7.650 -0.380 1 1 180 . 3 1 1 A 20 20 LEU HA H 20 3.840 4.061 -0.221 1 1 189 . 3 1 1 A 20 20 LEU C C 20 180.155 179.723 0.432 1 1 190 . 3 1 1 A 20 20 LEU CA C 20 57.629 58.018 -0.389 1 1 191 . 3 1 1 A 20 20 LEU CB C 20 41.498 41.551 -0.053 1 1 194 . 3 1 1 A 20 20 LEU N N 20 117.986 118.030 -0.044 1 1 195 . 3 1 1 A 21 21 ILE H H 21 8.619 7.455 1.164 1 1 196 . 3 1 1 A 21 21 ILE HA H 21 3.090 4.222 -1.132 1 1 202 . 3 1 1 A 21 21 ILE C C 21 179.125 178.247 0.878 1 1 203 . 3 1 1 A 21 21 ILE CA C 21 66.129 63.939 2.190 1 1 204 . 3 1 1 A 21 21 ILE CB C 21 38.338 37.425 0.913 1 1 208 . 3 1 1 A 21 21 ILE N N 21 121.078 115.713 5.365 1 1 209 . 3 1 1 A 22 22 SER H H 22 8.899 7.683 1.216 1 1 210 . 3 1 1 A 22 22 SER HA H 22 4.517 4.108 0.409 1 1 213 . 3 1 1 A 22 22 SER C C 22 176.876 176.138 0.738 1 1 214 . 3 1 1 A 22 22 SER CA C 22 61.380 63.018 -1.638 1 1 215 . 3 1 1 A 22 22 SER CB C 22 63.882 63.743 0.139 1 1 216 . 3 1 1 A 22 22 SER N N 22 118.286 118.365 -0.079 1 1 217 . 3 1 1 A 23 23 TYR H H 23 7.951 7.170 0.781 1 1 218 . 3 1 1 A 23 23 TYR HA H 23 4.264 4.196 0.068 1 1 223 . 3 1 1 A 23 23 TYR C C 23 176.820 177.671 -0.851 1 1 224 . 3 1 1 A 23 23 TYR CA C 23 60.474 61.584 -1.110 1 1 225 . 3 1 1 A 23 23 TYR CB C 23 39.531 38.900 0.631 1 1 226 . 3 1 1 A 23 23 TYR N N 23 117.292 123.188 -5.896 1 1 227 . 3 1 1 A 24 24 THR H H 24 7.702 8.176 -0.474 1 1 228 . 3 1 1 A 24 24 THR HA H 24 3.614 4.138 -0.524 1 1 233 . 3 1 1 A 24 24 THR C C 24 176.500 175.775 0.725 1 1 234 . 3 1 1 A 24 24 THR CA C 24 64.095 65.295 -1.200 1 1 235 . 3 1 1 A 24 24 THR CB C 24 70.437 68.453 1.984 1 1 237 . 3 1 1 A 24 24 THR N N 24 105.659 113.132 -7.473 1 1 238 . 3 1 1 A 25 25 THR H H 25 8.080 8.360 -0.280 1 1 239 . 3 1 1 A 25 25 THR HA H 25 4.556 4.539 0.017 1 1 244 . 3 1 1 A 25 25 THR C C 25 175.025 173.951 1.074 1 1 245 . 3 1 1 A 25 25 THR CA C 25 61.975 61.014 0.961 1 1 246 . 3 1 1 A 25 25 THR CB C 25 72.012 69.067 2.945 1 1 248 . 3 1 1 A 25 25 THR N N 25 109.689 112.515 -2.826 1 1 249 . 3 1 1 A 26 26 ASN H H 26 7.603 7.825 -0.222 1 1 250 . 3 1 1 A 26 26 ASN HA H 26 4.501 4.982 -0.481 1 1 253 . 3 1 1 A 26 26 ASN C C 26 173.259 174.769 -1.510 1 1 254 . 3 1 1 A 26 26 ASN CA C 26 55.218 52.367 2.851 1 1 255 . 3 1 1 A 26 26 ASN CB C 26 38.009 38.634 -0.625 1 1 256 . 3 1 1 A 26 26 ASN N N 26 115.569 118.772 -3.203 1 1 257 . 3 1 1 A 27 27 LYS H H 27 7.698 7.198 0.500 1 1 258 . 3 1 1 A 27 27 LYS HA H 27 4.431 4.719 -0.288 1 1 261 . 3 1 1 A 27 27 LYS C C 27 173.500 175.987 -2.487 1 1 262 . 3 1 1 A 27 27 LYS CA C 27 55.163 54.889 0.274 1 1 263 . 3 1 1 A 27 27 LYS CB C 27 35.034 34.608 0.426 1 1 267 . 3 1 1 A 27 27 LYS N N 27 118.253 119.270 -1.017 1 1 268 . 3 1 1 A 28 28 PHE H H 28 8.554 8.862 -0.308 1 1 269 . 3 1 1 A 28 28 PHE CA C 28 55.575 61.950 -6.375 1 1 270 . 3 1 1 A 28 28 PHE CB C 28 39.322 39.322 0.000 1 1 271 . 3 1 1 A 28 28 PHE N N 28 125.682 123.641 2.041 1 1 272 . 3 1 1 A 29 29 PRO HA H 29 4.373 3.530 0.843 1 1 274 . 3 1 1 A 29 29 PRO C C 29 173.611 178.284 -4.673 1 1 275 . 3 1 1 A 29 29 PRO CA C 29 61.978 64.368 -2.390 1 1 276 . 3 1 1 A 29 29 PRO CB C 29 30.039 31.188 -1.149 1 1 279 . 3 1 1 A 30 30 SER H H 30 7.993 8.088 -0.095 1 1 280 . 3 1 1 A 30 30 SER HA H 30 4.285 4.124 0.161 1 1 283 . 3 1 1 A 30 30 SER C C 30 174.665 174.505 0.160 1 1 284 . 3 1 1 A 30 30 SER CA C 30 58.948 61.500 -2.552 1 1 285 . 3 1 1 A 30 30 SER CB C 30 64.019 63.067 0.952 1 1 286 . 3 1 1 A 30 30 SER N N 30 116.682 113.710 2.972 1 1 287 . 3 1 1 A 31 31 GLU H H 31 8.198 7.407 0.791 1 1 288 . 3 1 1 A 31 31 GLU HA H 31 4.308 3.910 0.398 1 1 292 . 3 1 1 A 31 31 GLU C C 31 175.157 174.401 0.756 1 1 293 . 3 1 1 A 31 31 GLU CA C 31 56.846 57.940 -1.094 1 1 294 . 3 1 1 A 31 31 GLU CB C 31 30.113 27.672 2.441 1 1 296 . 3 1 1 A 31 31 GLU N N 31 120.151 116.989 3.162 1 1 297 . 3 1 1 A 32 32 TYR H H 32 7.714 7.690 0.024 1 1 298 . 3 1 1 A 32 32 TYR HA H 32 4.407 4.830 -0.423 1 1 302 . 3 1 1 A 32 32 TYR C C 32 173.544 173.508 0.036 1 1 303 . 3 1 1 A 32 32 TYR CA C 32 58.368 57.300 1.068 1 1 304 . 3 1 1 A 32 32 TYR CB C 32 38.614 41.541 -2.927 1 1 305 . 3 1 1 A 32 32 TYR N N 32 118.548 120.138 -1.590 1 1 306 . 3 1 1 A 33 33 VAL H H 33 7.764 8.419 -0.655 1 1 307 . 3 1 1 A 33 33 VAL HA H 33 4.048 4.661 -0.613 1 1 315 . 3 1 1 A 33 33 VAL CA C 33 58.575 58.554 0.021 1 1 316 . 3 1 1 A 33 33 VAL CB C 33 33.600 33.013 0.587 1 1 317 . 3 1 1 A 33 33 VAL N N 33 125.992 123.934 2.058 1 1 318 . 3 1 1 A 34 34 PRO HA H 34 4.215 4.532 -0.317 1 1 320 . 3 1 1 A 34 34 PRO C C 34 175.627 176.332 -0.705 1 1 321 . 3 1 1 A 34 34 PRO CA C 34 61.655 62.574 -0.919 1 1 322 . 3 1 1 A 34 34 PRO CB C 34 31.965 32.032 -0.067 1 1 325 . 3 1 1 A 35 35 ALA H H 35 8.503 8.243 0.260 1 1 326 . 3 1 1 A 35 35 ALA HA H 35 4.190 4.164 0.026 1 1 330 . 3 1 1 A 35 35 ALA C C 35 178.295 175.759 2.536 1 1 331 . 3 1 1 A 35 35 ALA CA C 35 54.499 51.508 2.991 1 1 332 . 3 1 1 A 35 35 ALA CB C 35 18.235 17.394 0.841 1 1 333 . 3 1 1 A 35 35 ALA N N 35 123.063 123.267 -0.204 1 1 334 . 3 1 1 A 36 36 VAL H H 36 8.032 7.681 0.351 1 1 335 . 3 1 1 A 36 36 VAL HA H 36 4.258 4.842 -0.584 1 1 340 . 3 1 1 A 36 36 VAL CA C 36 60.200 59.361 0.839 1 1 341 . 3 1 1 A 36 36 VAL CB C 36 29.879 35.343 -5.464 1 1 342 . 3 1 1 A 36 36 VAL N N 36 116.770 115.377 1.393 1 1 344 . 3 1 1 A 37 37 PHE C C 37 174.502 175.177 -0.675 1 1 345 . 3 1 1 A 37 37 PHE CA C 37 56.175 57.333 -1.158 1 1 346 . 3 1 1 A 37 37 PHE CB C 37 40.231 39.904 0.327 1 1 347 . 3 1 1 A 38 38 ASP H H 38 7.602 7.702 -0.100 1 1 348 . 3 1 1 A 38 38 ASP HA H 38 4.343 4.696 -0.353 1 1 351 . 3 1 1 A 38 38 ASP C C 38 174.386 176.037 -1.651 1 1 352 . 3 1 1 A 38 38 ASP CA C 38 54.323 53.057 1.266 1 1 353 . 3 1 1 A 38 38 ASP CB C 38 40.815 42.545 -1.730 1 1 354 . 3 1 1 A 38 38 ASP N N 38 125.774 119.430 6.344 1 1 355 . 3 1 1 A 39 39 ASN H H 39 7.917 8.545 -0.628 1 1 356 . 3 1 1 A 39 39 ASN HA H 39 4.303 5.318 -1.015 1 1 360 . 3 1 1 A 39 39 ASN C C 39 173.897 173.855 0.042 1 1 361 . 3 1 1 A 39 39 ASN CA C 39 54.317 52.214 2.103 1 1 362 . 3 1 1 A 39 39 ASN CB C 39 38.180 40.089 -1.909 1 1 363 . 3 1 1 A 39 39 ASN N N 39 117.429 117.201 0.228 1 1 365 . 3 1 1 A 40 40 TYR H H 40 7.726 8.850 -1.124 1 1 366 . 3 1 1 A 40 40 TYR HA H 40 4.513 5.320 -0.807 1 1 370 . 3 1 1 A 40 40 TYR C C 40 172.772 173.348 -0.576 1 1 371 . 3 1 1 A 40 40 TYR CA C 40 57.335 56.754 0.581 1 1 372 . 3 1 1 A 40 40 TYR CB C 40 42.956 42.547 0.409 1 1 373 . 3 1 1 A 40 40 TYR N N 40 122.998 122.555 0.443 1 1 374 . 3 1 1 A 41 41 ALA H H 41 7.651 7.858 -0.207 1 1 375 . 3 1 1 A 41 41 ALA HA H 41 5.636 5.234 0.402 1 1 379 . 3 1 1 A 41 41 ALA C C 41 175.778 175.854 -0.076 1 1 380 . 3 1 1 A 41 41 ALA CA C 41 50.456 49.972 0.484 1 1 381 . 3 1 1 A 41 41 ALA CB C 41 20.492 21.135 -0.643 1 1 382 . 3 1 1 A 41 41 ALA N N 41 127.028 128.149 -1.121 1 1 383 . 3 1 1 A 42 42 VAL H H 42 8.781 8.813 -0.032 1 1 384 . 3 1 1 A 42 42 VAL HA H 42 4.564 4.816 -0.252 1 1 389 . 3 1 1 A 42 42 VAL C C 42 173.852 174.925 -1.073 1 1 390 . 3 1 1 A 42 42 VAL CA C 42 59.278 61.333 -2.055 1 1 391 . 3 1 1 A 42 42 VAL CB C 42 35.342 34.168 1.174 1 1 393 . 3 1 1 A 42 42 VAL N N 42 117.471 121.706 -4.235 1 1 394 . 3 1 1 A 43 43 THR H H 43 8.566 8.875 -0.309 1 1 395 . 3 1 1 A 43 43 THR HA H 43 5.124 4.949 0.175 1 1 400 . 3 1 1 A 43 43 THR C C 43 174.210 174.058 0.152 1 1 401 . 3 1 1 A 43 43 THR CA C 43 62.434 61.914 0.520 1 1 402 . 3 1 1 A 43 43 THR CB C 43 69.296 70.762 -1.466 1 1 404 . 3 1 1 A 43 43 THR N N 43 120.850 123.935 -3.085 1 1 405 . 3 1 1 A 44 44 VAL H H 44 9.442 9.137 0.305 1 1 406 . 3 1 1 A 44 44 VAL HA H 44 4.367 4.768 -0.401 1 1 411 . 3 1 1 A 44 44 VAL C C 44 174.061 174.694 -0.633 1 1 412 . 3 1 1 A 44 44 VAL CA C 44 60.639 61.170 -0.531 1 1 413 . 3 1 1 A 44 44 VAL CB C 44 35.053 34.218 0.835 1 1 415 . 3 1 1 A 44 44 VAL N N 44 127.764 126.900 0.864 1 1 416 . 3 1 1 A 45 45 MET H H 45 8.513 8.921 -0.408 1 1 417 . 3 1 1 A 45 45 MET HA H 45 5.272 5.354 -0.082 1 1 421 . 3 1 1 A 45 45 MET C C 45 176.395 175.057 1.338 1 1 422 . 3 1 1 A 45 45 MET CA C 45 53.264 53.652 -0.388 1 1 423 . 3 1 1 A 45 45 MET CB C 45 31.692 34.211 -2.519 1 1 424 . 3 1 1 A 45 45 MET N N 45 123.063 124.784 -1.721 1 1 425 . 3 1 1 A 46 46 ILE H H 46 9.103 8.787 0.316 1 1 426 . 3 1 1 A 46 46 ILE HA H 46 4.382 4.770 -0.388 1 1 434 . 3 1 1 A 46 46 ILE C C 46 177.661 177.108 0.553 1 1 435 . 3 1 1 A 46 46 ILE CA C 46 59.755 59.827 -0.072 1 1 436 . 3 1 1 A 46 46 ILE CB C 46 38.913 41.724 -2.811 1 1 440 . 3 1 1 A 46 46 ILE N N 46 125.267 124.534 0.733 1 1 441 . 3 1 1 A 47 47 GLY H H 47 9.385 8.989 0.396 1 1 442 . 3 1 1 A 47 47 GLY HA2 H 47 4.755 3.868 0.887 1 1 443 . 3 1 1 A 47 47 GLY HA3 H 47 3.851 3.873 -0.022 1 1 444 . 3 1 1 A 47 47 GLY C C 47 175.195 175.069 0.126 1 1 445 . 3 1 1 A 47 47 GLY CA C 47 47.015 47.089 -0.074 1 1 446 . 3 1 1 A 47 47 GLY N N 47 119.278 114.776 4.502 1 1 447 . 3 1 1 A 48 48 GLY H H 48 8.606 8.102 0.504 1 1 448 . 3 1 1 A 48 48 GLY HA2 H 48 4.140 3.984 0.156 1 1 449 . 3 1 1 A 48 48 GLY HA3 H 48 3.623 4.011 -0.388 1 1 450 . 3 1 1 A 48 48 GLY C C 48 172.844 173.895 -1.051 1 1 451 . 3 1 1 A 48 48 GLY CA C 48 44.889 45.554 -0.665 1 1 452 . 3 1 1 A 48 48 GLY N N 48 104.656 108.381 -3.725 1 1 453 . 3 1 1 A 49 49 GLU H H 49 7.722 8.203 -0.481 1 1 454 . 3 1 1 A 49 49 GLU HA H 49 4.182 4.522 -0.340 1 1 457 . 3 1 1 A 49 49 GLU CA C 49 52.336 54.210 -1.874 1 1 458 . 3 1 1 A 49 49 GLU CB C 49 31.160 33.348 -2.188 1 1 459 . 3 1 1 A 49 49 GLU N N 49 120.543 116.776 3.767 1 1 460 . 3 1 1 A 50 50 PRO HA H 50 4.977 4.847 0.130 1 1 462 . 3 1 1 A 50 50 PRO C C 50 177.922 175.263 2.659 1 1 463 . 3 1 1 A 50 50 PRO CA C 50 62.080 62.499 -0.419 1 1 464 . 3 1 1 A 50 50 PRO CB C 50 32.147 32.223 -0.076 1 1 465 . 3 1 1 A 51 51 TYR H H 51 9.148 8.863 0.285 1 1 466 . 3 1 1 A 51 51 TYR HA H 51 4.683 5.323 -0.640 1 1 470 . 3 1 1 A 51 51 TYR C C 51 176.400 174.780 1.620 1 1 471 . 3 1 1 A 51 51 TYR CA C 51 57.344 56.629 0.715 1 1 472 . 3 1 1 A 51 51 TYR CB C 51 41.669 43.559 -1.890 1 1 473 . 3 1 1 A 51 51 TYR N N 51 121.300 123.956 -2.656 1 1 474 . 3 1 1 A 52 52 THR H H 52 8.889 8.869 0.020 1 1 475 . 3 1 1 A 52 52 THR HA H 52 4.113 5.233 -1.120 1 1 477 . 3 1 1 A 52 52 THR C C 52 172.149 173.428 -1.279 1 1 478 . 3 1 1 A 52 52 THR CA C 52 62.400 61.247 1.153 1 1 479 . 3 1 1 A 52 52 THR CB C 52 69.447 71.341 -1.894 1 1 481 . 3 1 1 A 52 52 THR N N 52 119.482 116.216 3.266 1 1 482 . 3 1 1 A 53 53 LEU H H 53 9.480 8.913 0.567 1 1 483 . 3 1 1 A 53 53 LEU HA H 53 5.030 4.981 0.049 1 1 491 . 3 1 1 A 53 53 LEU C C 53 174.307 175.744 -1.437 1 1 492 . 3 1 1 A 53 53 LEU CA C 53 53.375 53.031 0.344 1 1 493 . 3 1 1 A 53 53 LEU CB C 53 44.216 45.127 -0.911 1 1 496 . 3 1 1 A 53 53 LEU N N 53 131.364 125.517 5.847 1 1 497 . 3 1 1 A 54 54 GLY H H 54 9.749 8.776 0.973 1 1 498 . 3 1 1 A 54 54 GLY HA2 H 54 4.571 4.202 0.369 1 1 499 . 3 1 1 A 54 54 GLY HA3 H 54 3.577 4.209 -0.632 1 1 500 . 3 1 1 A 54 54 GLY C C 54 171.929 172.221 -0.292 1 1 501 . 3 1 1 A 54 54 GLY CA C 54 45.195 44.743 0.452 1 1 502 . 3 1 1 A 54 54 GLY N N 54 115.640 112.767 2.873 1 1 503 . 3 1 1 A 55 55 LEU H H 55 8.623 9.118 -0.495 1 1 504 . 3 1 1 A 55 55 LEU HA H 55 5.104 4.956 0.148 1 1 510 . 3 1 1 A 55 55 LEU C C 55 176.000 175.223 0.777 1 1 511 . 3 1 1 A 55 55 LEU CA C 55 54.202 53.141 1.061 1 1 512 . 3 1 1 A 55 55 LEU CB C 55 44.057 42.957 1.100 1 1 515 . 3 1 1 A 55 55 LEU N N 55 125.141 125.869 -0.728 1 1 516 . 3 1 1 A 56 56 PHE H H 56 8.735 8.869 -0.134 1 1 517 . 3 1 1 A 56 56 PHE HA H 56 4.821 5.164 -0.343 1 1 521 . 3 1 1 A 56 56 PHE C C 56 173.130 173.317 -0.187 1 1 522 . 3 1 1 A 56 56 PHE CA C 56 56.833 56.034 0.799 1 1 523 . 3 1 1 A 56 56 PHE CB C 56 40.776 41.950 -1.174 1 1 524 . 3 1 1 A 56 56 PHE N N 56 122.065 125.874 -3.809 1 1 525 . 3 1 1 A 57 57 ASP H H 57 9.093 8.069 1.024 1 1 526 . 3 1 1 A 57 57 ASP HA H 57 4.877 4.861 0.016 1 1 529 . 3 1 1 A 57 57 ASP C C 57 175.941 175.873 0.068 1 1 530 . 3 1 1 A 57 57 ASP CA C 57 51.755 52.923 -1.168 1 1 531 . 3 1 1 A 57 57 ASP CB C 57 43.082 42.031 1.051 1 1 532 . 3 1 1 A 57 57 ASP N N 57 124.050 128.547 -4.497 1 1 533 . 3 1 1 A 58 58 THR H H 58 8.621 8.490 0.131 1 1 534 . 3 1 1 A 58 58 THR HA H 58 3.905 4.529 -0.624 1 1 535 . 3 1 1 A 58 58 THR C C 58 172.124 174.900 -2.776 1 1 536 . 3 1 1 A 58 58 THR CA C 58 60.335 63.835 -3.500 1 1 537 . 3 1 1 A 58 58 THR CB C 58 74.469 69.223 5.246 1 1 538 . 3 1 1 A 58 58 THR N N 58 109.327 118.797 -9.470 1 1 539 . 3 1 1 A 59 59 ALA H H 59 8.695 8.696 -0.001 1 1 540 . 3 1 1 A 59 59 ALA HA H 59 4.565 4.847 -0.282 1 1 544 . 3 1 1 A 59 59 ALA CA C 59 50.475 51.558 -1.083 1 1 545 . 3 1 1 A 59 59 ALA CB C 59 18.224 22.818 -4.594 1 1 546 . 3 1 1 A 59 59 ALA N N 59 123.129 127.624 -4.495 1 1 547 . 3 1 1 A 60 60 GLY H H 60 8.630 8.732 -0.102 1 1 548 . 3 1 1 A 60 60 GLY HA2 H 60 4.420 4.146 0.274 1 1 549 . 3 1 1 A 60 60 GLY HA3 H 60 3.902 4.162 -0.260 1 1 550 . 3 1 1 A 60 60 GLY C C 60 173.122 175.240 -2.118 1 1 551 . 3 1 1 A 60 60 GLY CA C 60 46.178 45.320 0.858 1 1 552 . 3 1 1 A 60 60 GLY N N 60 109.449 109.946 -0.497 1 1 553 . 3 1 1 A 61 61 GLN H H 61 8.553 8.010 0.543 1 1 554 . 3 1 1 A 61 61 GLN HA H 61 4.492 4.086 0.406 1 1 560 . 3 1 1 A 61 61 GLN C C 61 177.014 176.458 0.556 1 1 561 . 3 1 1 A 61 61 GLN CA C 61 56.895 58.212 -1.317 1 1 562 . 3 1 1 A 61 61 GLN CB C 61 28.863 28.939 -0.076 1 1 564 . 3 1 1 A 61 61 GLN N N 61 118.471 121.465 -2.994 1 1 566 . 3 1 1 A 62 62 GLU H H 62 9.082 7.863 1.219 1 1 567 . 3 1 1 A 62 62 GLU HA H 62 4.292 4.482 -0.190 1 1 570 . 3 1 1 A 62 62 GLU C C 62 178.273 177.440 0.833 1 1 571 . 3 1 1 A 62 62 GLU CA C 62 58.361 55.580 2.781 1 1 572 . 3 1 1 A 62 62 GLU CB C 62 28.579 31.126 -2.547 1 1 574 . 3 1 1 A 62 62 GLU N N 62 122.087 118.913 3.174 1 1 575 . 3 1 1 A 63 63 ASP H H 63 8.636 8.765 -0.129 1 1 576 . 3 1 1 A 63 63 ASP HA H 63 4.348 4.346 0.002 1 1 579 . 3 1 1 A 63 63 ASP C C 63 176.712 175.718 0.994 1 1 580 . 3 1 1 A 63 63 ASP CA C 63 55.587 55.065 0.522 1 1 581 . 3 1 1 A 63 63 ASP CB C 63 39.571 39.056 0.515 1 1 582 . 3 1 1 A 63 63 ASP N N 63 117.009 121.235 -4.226 1 1 583 . 3 1 1 A 64 64 TYR H H 64 8.061 8.538 -0.477 1 1 584 . 3 1 1 A 64 64 TYR HA H 64 4.609 4.874 -0.265 1 1 587 . 3 1 1 A 64 64 TYR C C 64 176.254 175.782 0.472 1 1 588 . 3 1 1 A 64 64 TYR CA C 64 58.231 57.139 1.092 1 1 589 . 3 1 1 A 64 64 TYR CB C 64 38.650 38.572 0.078 1 1 590 . 3 1 1 A 64 64 TYR N N 64 117.063 119.504 -2.441 1 1 591 . 3 1 1 A 65 65 ASP H H 65 8.064 8.094 -0.030 1 1 592 . 3 1 1 A 65 65 ASP HA H 65 4.439 4.450 -0.011 1 1 594 . 3 1 1 A 65 65 ASP C C 65 175.163 177.119 -1.956 1 1 595 . 3 1 1 A 65 65 ASP CA C 65 57.971 55.209 2.762 1 1 596 . 3 1 1 A 65 65 ASP N N 65 122.196 119.558 2.638 1 1 597 . 3 1 1 A 66 66 ARG H H 66 8.537 8.096 0.441 1 1 598 . 3 1 1 A 66 66 ARG HA H 66 4.345 4.039 0.306 1 1 599 . 3 1 1 A 66 66 ARG C C 66 175.009 178.843 -3.834 1 1 600 . 3 1 1 A 66 66 ARG CA C 66 56.217 59.094 -2.877 1 1 601 . 3 1 1 A 66 66 ARG N N 66 122.224 119.783 2.441 1 1 602 . 3 1 1 A 67 67 LEU H H 67 8.336 7.348 0.988 1 1 603 . 3 1 1 A 67 67 LEU HA H 67 4.037 4.095 -0.058 1 1 604 . 3 1 1 A 67 67 LEU CA C 67 61.694 57.389 4.305 1 1 605 . 3 1 1 A 67 67 LEU N N 67 117.734 119.300 -1.566 1 1 607 . 3 1 1 A 69 69 PRO C C 69 178.122 178.264 -0.142 1 1 608 . 3 1 1 A 69 69 PRO CA C 69 63.575 64.708 -1.133 1 1 611 . 3 1 1 A 70 70 LEU H H 70 7.470 7.847 -0.377 1 1 612 . 3 1 1 A 70 70 LEU HA H 70 4.031 4.043 -0.012 1 1 621 . 3 1 1 A 70 70 LEU C C 70 178.756 179.080 -0.324 1 1 622 . 3 1 1 A 70 70 LEU CA C 70 56.944 57.536 -0.592 1 1 623 . 3 1 1 A 70 70 LEU CB C 70 40.002 41.063 -1.061 1 1 626 . 3 1 1 A 70 70 LEU N N 70 118.335 118.547 -0.212 1 1 627 . 3 1 1 A 71 71 SER H H 71 7.882 7.882 0.000 1 1 628 . 3 1 1 A 71 71 SER HA H 71 4.461 4.118 0.343 1 1 630 . 3 1 1 A 71 71 SER C C 71 179.200 174.066 5.134 1 1 631 . 3 1 1 A 71 71 SER CA C 71 59.710 62.114 -2.404 1 1 632 . 3 1 1 A 71 71 SER CB C 71 63.841 63.195 0.646 1 1 633 . 3 1 1 A 71 71 SER N N 71 111.784 114.108 -2.324 1 1 634 . 3 1 1 A 72 72 TYR H H 72 7.362 7.743 -0.381 1 1 635 . 3 1 1 A 72 72 TYR CA C 72 56.002 54.925 1.077 1 1 636 . 3 1 1 A 72 72 TYR CB C 72 35.144 38.339 -3.195 1 1 637 . 3 1 1 A 72 72 TYR N N 72 119.959 117.304 2.655 1 1 638 . 3 1 1 A 73 73 PRO HA H 73 4.231 4.721 -0.490 1 1 639 . 3 1 1 A 73 73 PRO C C 73 176.096 177.364 -1.268 1 1 640 . 3 1 1 A 73 73 PRO CA C 73 66.055 62.679 3.376 1 1 641 . 3 1 1 A 73 73 PRO CB C 73 35.726 32.781 2.945 1 1 642 . 3 1 1 A 74 74 GLN H H 74 8.995 9.110 -0.115 1 1 643 . 3 1 1 A 74 74 GLN HA H 74 3.790 4.131 -0.341 1 1 647 . 3 1 1 A 74 74 GLN C C 74 174.686 174.728 -0.042 1 1 648 . 3 1 1 A 74 74 GLN CA C 74 57.416 56.676 0.740 1 1 649 . 3 1 1 A 74 74 GLN CB C 74 25.352 27.429 -2.077 1 1 651 . 3 1 1 A 74 74 GLN N N 74 114.768 121.249 -6.481 1 1 653 . 3 1 1 A 75 75 THR H H 75 7.504 8.716 -1.212 1 1 654 . 3 1 1 A 75 75 THR HA H 75 3.172 4.360 -1.188 1 1 659 . 3 1 1 A 75 75 THR C C 75 173.589 174.640 -1.051 1 1 660 . 3 1 1 A 75 75 THR CA C 75 67.162 61.612 5.550 1 1 661 . 3 1 1 A 75 75 THR CB C 75 61.122 70.000 -8.878 1 1 663 . 3 1 1 A 75 75 THR N N 75 116.725 121.641 -4.916 1 1 664 . 3 1 1 A 76 76 ASP H H 76 8.865 8.893 -0.028 1 1 665 . 3 1 1 A 76 76 ASP HA H 76 4.873 4.388 0.485 1 1 668 . 3 1 1 A 76 76 ASP C C 76 177.600 175.550 2.050 1 1 669 . 3 1 1 A 76 76 ASP CA C 76 56.105 56.478 -0.373 1 1 670 . 3 1 1 A 76 76 ASP CB C 76 44.016 41.188 2.828 1 1 671 . 3 1 1 A 76 76 ASP N N 76 124.192 125.798 -1.606 1 1 672 . 3 1 1 A 77 77 VAL H H 77 7.578 7.278 0.300 1 1 673 . 3 1 1 A 77 77 VAL HA H 77 4.706 4.451 0.255 1 1 681 . 3 1 1 A 77 77 VAL C C 77 171.266 172.471 -1.205 1 1 682 . 3 1 1 A 77 77 VAL CA C 77 60.346 60.078 0.268 1 1 683 . 3 1 1 A 77 77 VAL CB C 77 32.362 34.731 -2.369 1 1 685 . 3 1 1 A 77 77 VAL N N 77 116.060 115.977 0.083 1 1 686 . 3 1 1 A 78 78 PHE H H 78 8.287 8.355 -0.068 1 1 687 . 3 1 1 A 78 78 PHE HA H 78 5.646 5.070 0.576 1 1 690 . 3 1 1 A 78 78 PHE C C 78 175.799 174.303 1.496 1 1 691 . 3 1 1 A 78 78 PHE CA C 78 56.686 56.385 0.301 1 1 692 . 3 1 1 A 78 78 PHE CB C 78 43.413 40.748 2.665 1 1 693 . 3 1 1 A 78 78 PHE N N 78 121.935 125.964 -4.029 1 1 694 . 3 1 1 A 79 79 LEU H H 79 8.937 8.304 0.633 1 1 695 . 3 1 1 A 79 79 LEU HA H 79 4.691 5.000 -0.309 1 1 701 . 3 1 1 A 79 79 LEU C C 79 174.059 174.501 -0.442 1 1 702 . 3 1 1 A 79 79 LEU CA C 79 53.575 53.490 0.085 1 1 703 . 3 1 1 A 79 79 LEU CB C 79 41.184 45.132 -3.948 1 1 706 . 3 1 1 A 79 79 LEU N N 79 119.060 125.283 -6.223 1 1 707 . 3 1 1 A 80 80 VAL H H 80 8.828 8.416 0.412 1 1 708 . 3 1 1 A 80 80 VAL HA H 80 4.138 4.643 -0.505 1 1 716 . 3 1 1 A 80 80 VAL C C 80 174.535 175.001 -0.466 1 1 717 . 3 1 1 A 80 80 VAL CA C 80 61.395 60.620 0.775 1 1 718 . 3 1 1 A 80 80 VAL CB C 80 30.602 34.347 -3.745 1 1 721 . 3 1 1 A 80 80 VAL N N 80 124.677 126.310 -1.633 1 1 722 . 3 1 1 A 81 81 CYS H H 81 8.795 8.665 0.130 1 1 723 . 3 1 1 A 81 81 CYS HA H 81 5.758 5.346 0.412 1 1 726 . 3 1 1 A 81 81 CYS C C 81 173.980 174.043 -0.063 1 1 727 . 3 1 1 A 81 81 CYS CA C 81 57.821 57.144 0.677 1 1 728 . 3 1 1 A 81 81 CYS CB C 81 30.043 30.439 -0.396 1 1 729 . 3 1 1 A 81 81 CYS N N 81 123.745 124.587 -0.842 1 1 730 . 3 1 1 A 82 82 PHE H H 82 8.873 8.579 0.294 1 1 731 . 3 1 1 A 82 82 PHE HA H 82 4.532 5.372 -0.840 1 1 735 . 3 1 1 A 82 82 PHE C C 82 171.090 172.282 -1.192 1 1 736 . 3 1 1 A 82 82 PHE CA C 82 56.367 55.577 0.790 1 1 737 . 3 1 1 A 82 82 PHE CB C 82 40.091 41.922 -1.831 1 1 738 . 3 1 1 A 82 82 PHE N N 82 117.718 120.623 -2.905 1 1 739 . 3 1 1 A 83 83 SER H H 83 8.038 8.799 -0.761 1 1 740 . 3 1 1 A 83 83 SER HA H 83 5.204 4.512 0.692 1 1 743 . 3 1 1 A 83 83 SER C C 83 178.547 175.816 2.731 1 1 744 . 3 1 1 A 83 83 SER CA C 83 55.000 57.218 -2.218 1 1 745 . 3 1 1 A 83 83 SER CB C 83 63.051 64.001 -0.950 1 1 746 . 3 1 1 A 83 83 SER N N 83 113.246 116.152 -2.906 1 1 747 . 3 1 1 A 84 84 VAL H H 84 8.609 8.574 0.035 1 1 748 . 3 1 1 A 84 84 VAL HA H 84 4.261 3.895 0.366 1 1 756 . 3 1 1 A 84 84 VAL C C 84 175.783 177.524 -1.741 1 1 757 . 3 1 1 A 84 84 VAL CA C 84 63.745 65.954 -2.209 1 1 758 . 3 1 1 A 84 84 VAL CB C 84 29.811 31.610 -1.799 1 1 760 . 3 1 1 A 84 84 VAL N N 84 120.609 128.017 -7.408 1 1 761 . 3 1 1 A 85 85 VAL H H 85 7.653 6.820 0.833 1 1 762 . 3 1 1 A 85 85 VAL HA H 85 4.508 4.391 0.117 1 1 767 . 3 1 1 A 85 85 VAL C C 85 173.401 175.318 -1.917 1 1 768 . 3 1 1 A 85 85 VAL CA C 85 59.998 61.144 -1.146 1 1 769 . 3 1 1 A 85 85 VAL CB C 85 29.718 31.946 -2.228 1 1 772 . 3 1 1 A 85 85 VAL N N 85 107.920 111.962 -4.042 1 1 773 . 3 1 1 A 86 86 SER H H 86 7.792 7.636 0.156 1 1 774 . 3 1 1 A 86 86 SER HA H 86 5.200 4.823 0.377 1 1 777 . 3 1 1 A 86 86 SER CA C 86 53.848 54.854 -1.006 1 1 778 . 3 1 1 A 86 86 SER CB C 86 62.720 64.692 -1.972 1 1 779 . 3 1 1 A 86 86 SER N N 86 112.608 119.695 -7.087 1 1 780 . 3 1 1 A 87 87 PRO C C 87 178.275 178.653 -0.378 1 1 781 . 3 1 1 A 87 87 PRO CA C 87 65.655 65.343 0.312 1 1 782 . 3 1 1 A 87 87 PRO CB C 87 31.961 31.864 0.097 1 1 783 . 3 1 1 A 88 88 SER H H 88 8.928 8.340 0.588 1 1 784 . 3 1 1 A 88 88 SER HA H 88 4.783 4.496 0.287 1 1 787 . 3 1 1 A 88 88 SER C C 88 176.192 176.915 -0.723 1 1 788 . 3 1 1 A 88 88 SER CA C 88 61.630 61.407 0.223 1 1 789 . 3 1 1 A 88 88 SER CB C 88 71.811 62.444 9.367 1 1 790 . 3 1 1 A 88 88 SER N N 88 113.475 112.706 0.769 1 1 791 . 3 1 1 A 89 89 SER H H 89 8.022 7.835 0.187 1 1 792 . 3 1 1 A 89 89 SER HA H 89 5.047 4.277 0.770 1 1 795 . 3 1 1 A 89 89 SER C C 89 176.417 176.452 -0.035 1 1 796 . 3 1 1 A 89 89 SER CA C 89 61.352 61.285 0.067 1 1 797 . 3 1 1 A 89 89 SER CB C 89 63.930 63.253 0.677 1 1 798 . 3 1 1 A 89 89 SER N N 89 120.789 116.897 3.892 1 1 799 . 3 1 1 A 90 90 PHE H H 90 7.454 8.395 -0.941 1 1 800 . 3 1 1 A 90 90 PHE HA H 90 3.967 3.945 0.022 1 1 804 . 3 1 1 A 90 90 PHE C C 90 177.387 177.953 -0.566 1 1 805 . 3 1 1 A 90 90 PHE CA C 90 59.945 60.321 -0.376 1 1 806 . 3 1 1 A 90 90 PHE CB C 90 39.365 39.170 0.195 1 1 807 . 3 1 1 A 90 90 PHE N N 90 124.950 122.918 2.032 1 1 808 . 3 1 1 A 91 91 GLU H H 91 8.245 8.109 0.136 1 1 809 . 3 1 1 A 91 91 GLU HA H 91 3.921 4.079 -0.158 1 1 811 . 3 1 1 A 91 91 GLU C C 91 179.695 179.436 0.259 1 1 812 . 3 1 1 A 91 91 GLU CA C 91 59.102 59.584 -0.482 1 1 813 . 3 1 1 A 91 91 GLU CB C 91 28.437 29.501 -1.064 1 1 815 . 3 1 1 A 91 91 GLU N N 91 119.953 118.040 1.913 1 1 816 . 3 1 1 A 92 92 ASN H H 92 8.106 8.320 -0.214 1 1 817 . 3 1 1 A 92 92 ASN HA H 92 4.760 4.473 0.287 1 1 821 . 3 1 1 A 92 92 ASN C C 92 178.593 178.018 0.575 1 1 822 . 3 1 1 A 92 92 ASN CA C 92 54.635 56.549 -1.914 1 1 823 . 3 1 1 A 92 92 ASN CB C 92 37.879 38.562 -0.683 1 1 824 . 3 1 1 A 92 92 ASN N N 92 114.315 117.883 -3.568 1 1 826 . 3 1 1 A 93 93 VAL H H 93 7.883 7.718 0.165 1 1 827 . 3 1 1 A 93 93 VAL HA H 93 3.738 3.637 0.101 1 1 835 . 3 1 1 A 93 93 VAL C C 93 174.932 178.198 -3.266 1 1 836 . 3 1 1 A 93 93 VAL CA C 93 68.395 67.017 1.378 1 1 837 . 3 1 1 A 93 93 VAL CB C 93 30.596 31.331 -0.735 1 1 839 . 3 1 1 A 93 93 VAL N N 93 124.067 120.741 3.326 1 1 840 . 3 1 1 A 94 94 LYS H H 94 6.590 7.669 -1.079 1 1 841 . 3 1 1 A 94 94 LYS HA H 94 3.902 4.122 -0.220 1 1 846 . 3 1 1 A 94 94 LYS C C 94 176.885 179.266 -2.381 1 1 847 . 3 1 1 A 94 94 LYS CA C 94 58.135 58.863 -0.728 1 1 848 . 3 1 1 A 94 94 LYS CB C 94 33.163 32.504 0.659 1 1 851 . 3 1 1 A 94 94 LYS N N 94 115.269 119.733 -4.464 1 1 852 . 3 1 1 A 95 95 GLU H H 95 7.719 8.663 -0.944 1 1 853 . 3 1 1 A 95 95 GLU HA H 95 4.089 4.098 -0.009 1 1 857 . 3 1 1 A 95 95 GLU C C 95 176.252 177.998 -1.746 1 1 858 . 3 1 1 A 95 95 GLU CA C 95 57.564 58.755 -1.191 1 1 859 . 3 1 1 A 95 95 GLU CB C 95 30.353 29.913 0.440 1 1 861 . 3 1 1 A 95 95 GLU N N 95 112.466 119.443 -6.977 1 1 862 . 3 1 1 A 96 96 LYS H H 96 8.063 7.886 0.177 1 1 863 . 3 1 1 A 96 96 LYS HA H 96 4.250 4.328 -0.078 1 1 867 . 3 1 1 A 96 96 LYS C C 96 177.781 178.131 -0.350 1 1 868 . 3 1 1 A 96 96 LYS CA C 96 57.343 57.240 0.103 1 1 869 . 3 1 1 A 96 96 LYS CB C 96 35.190 33.991 1.199 1 1 873 . 3 1 1 A 96 96 LYS N N 96 115.613 115.441 0.172 1 1 874 . 3 1 1 A 97 97 TRP H H 97 7.786 8.156 -0.370 1 1 875 . 3 1 1 A 97 97 TRP HA H 97 4.390 4.485 -0.095 1 1 879 . 3 1 1 A 97 97 TRP C C 97 178.500 179.023 -0.523 1 1 880 . 3 1 1 A 97 97 TRP CA C 97 60.831 60.181 0.650 1 1 881 . 3 1 1 A 97 97 TRP CB C 97 30.818 29.378 1.440 1 1 882 . 3 1 1 A 97 97 TRP N N 97 119.643 120.257 -0.614 1 1 884 . 3 1 1 A 98 98 VAL H H 98 8.604 7.599 1.005 1 1 885 . 3 1 1 A 98 98 VAL HA H 98 3.542 3.482 0.060 1 1 890 . 3 1 1 A 98 98 VAL CA C 98 68.434 67.414 1.020 1 1 891 . 3 1 1 A 98 98 VAL CB C 98 28.357 29.834 -1.477 1 1 892 . 3 1 1 A 98 98 VAL N N 98 116.894 120.172 -3.278 1 1 893 . 3 1 1 A 99 99 PRO HA H 99 3.932 4.221 -0.289 1 1 895 . 3 1 1 A 99 99 PRO C C 99 177.438 179.089 -1.651 1 1 896 . 3 1 1 A 99 99 PRO CA C 99 66.615 66.335 0.280 1 1 897 . 3 1 1 A 99 99 PRO CB C 99 30.600 30.591 0.009 1 1 899 . 3 1 1 A 100 100 GLU H H 100 7.538 8.289 -0.751 1 1 900 . 3 1 1 A 100 100 GLU HA H 100 4.219 4.222 -0.003 1 1 902 . 3 1 1 A 100 100 GLU C C 100 178.891 179.321 -0.430 1 1 903 . 3 1 1 A 100 100 GLU CA C 100 60.795 59.447 1.348 1 1 904 . 3 1 1 A 100 100 GLU CB C 100 29.919 29.123 0.796 1 1 906 . 3 1 1 A 100 100 GLU N N 100 116.622 117.548 -0.926 1 1 907 . 3 1 1 A 101 101 ILE H H 101 8.331 7.264 1.067 1 1 908 . 3 1 1 A 101 101 ILE HA H 101 3.598 4.012 -0.414 1 1 909 . 3 1 1 A 101 101 ILE C C 101 177.812 177.708 0.104 1 1 910 . 3 1 1 A 101 101 ILE CA C 101 66.106 62.801 3.305 1 1 911 . 3 1 1 A 101 101 ILE CB C 101 35.806 37.673 -1.867 1 1 913 . 3 1 1 A 101 101 ILE N N 101 113.806 120.373 -6.567 1 1 914 . 3 1 1 A 102 102 THR H H 102 7.881 8.167 -0.286 1 1 915 . 3 1 1 A 102 102 THR HA H 102 3.849 3.815 0.034 1 1 917 . 3 1 1 A 102 102 THR C C 102 175.953 176.826 -0.873 1 1 918 . 3 1 1 A 102 102 THR CA C 102 64.979 66.756 -1.777 1 1 919 . 3 1 1 A 102 102 THR CB C 102 69.609 68.172 1.437 1 1 920 . 3 1 1 A 102 102 THR N N 102 112.542 117.929 -5.387 1 1 921 . 3 1 1 A 103 103 HIS H H 103 7.598 7.659 -0.061 1 1 922 . 3 1 1 A 103 103 HIS HA H 103 4.217 4.265 -0.048 1 1 924 . 3 1 1 A 103 103 HIS C C 103 176.414 177.865 -1.451 1 1 925 . 3 1 1 A 103 103 HIS CA C 103 58.531 59.591 -1.060 1 1 926 . 3 1 1 A 103 103 HIS CB C 103 28.397 29.675 -1.278 1 1 927 . 3 1 1 A 103 103 HIS N N 103 118.843 119.445 -0.602 1 1 928 . 3 1 1 A 104 104 HIS H H 104 7.405 7.659 -0.254 1 1 929 . 3 1 1 A 104 104 HIS HA H 104 4.164 4.249 -0.085 1 1 932 . 3 1 1 A 104 104 HIS C C 104 176.660 174.717 1.943 1 1 933 . 3 1 1 A 104 104 HIS CA C 104 59.641 59.404 0.237 1 1 934 . 3 1 1 A 104 104 HIS CB C 104 33.363 30.724 2.639 1 1 935 . 3 1 1 A 104 104 HIS N N 104 113.791 118.734 -4.943 1 1 936 . 3 1 1 A 105 105 CYS H H 105 8.530 7.356 1.174 1 1 937 . 3 1 1 A 105 105 CYS HA H 105 5.015 4.659 0.356 1 1 940 . 3 1 1 A 105 105 CYS CA C 105 56.219 58.366 -2.147 1 1 941 . 3 1 1 A 105 105 CYS N N 105 117.178 115.235 1.943 1 1 942 . 3 1 1 A 106 106 PRO HA H 106 4.477 4.454 0.023 1 1 945 . 3 1 1 A 106 106 PRO C C 106 177.961 176.549 1.412 1 1 946 . 3 1 1 A 106 106 PRO CA C 106 64.735 62.630 2.105 1 1 947 . 3 1 1 A 106 106 PRO CB C 106 31.961 32.664 -0.703 1 1 949 . 3 1 1 A 107 107 LYS H H 107 8.769 8.840 -0.071 1 1 950 . 3 1 1 A 107 107 LYS HA H 107 4.771 3.968 0.803 1 1 955 . 3 1 1 A 107 107 LYS CA C 107 55.895 58.273 -2.378 1 1 956 . 3 1 1 A 107 107 LYS CB C 107 31.160 31.386 -0.226 1 1 957 . 3 1 1 A 107 107 LYS N N 107 116.131 116.696 -0.565 1 1 958 . 3 1 1 A 108 108 THR H H 108 7.586 8.372 -0.786 1 1 959 . 3 1 1 A 108 108 THR N N 108 121.415 114.434 6.981 1 1 960 . 3 1 1 A 109 109 PRO HA H 109 4.529 4.512 0.017 1 1 963 . 3 1 1 A 109 109 PRO C C 109 174.846 175.740 -0.894 1 1 964 . 3 1 1 A 109 109 PRO CA C 109 62.495 63.579 -1.084 1 1 965 . 3 1 1 A 109 109 PRO CB C 109 33.563 32.117 1.446 1 1 968 . 3 1 1 A 110 110 PHE H H 110 8.165 8.793 -0.628 1 1 969 . 3 1 1 A 110 110 PHE HA H 110 5.929 5.168 0.761 1 1 971 . 3 1 1 A 110 110 PHE C C 110 172.666 173.599 -0.933 1 1 972 . 3 1 1 A 110 110 PHE CA C 110 54.448 56.832 -2.384 1 1 973 . 3 1 1 A 110 110 PHE CB C 110 43.554 41.951 1.603 1 1 974 . 3 1 1 A 110 110 PHE N N 110 112.128 124.358 -12.230 1 1 975 . 3 1 1 A 111 111 LEU H H 111 8.633 8.197 0.436 1 1 976 . 3 1 1 A 111 111 LEU HA H 111 4.694 5.153 -0.459 1 1 979 . 3 1 1 A 111 111 LEU C C 111 175.472 174.576 0.896 1 1 980 . 3 1 1 A 111 111 LEU CA C 111 54.212 53.428 0.784 1 1 981 . 3 1 1 A 111 111 LEU CB C 111 43.831 45.335 -1.504 1 1 984 . 3 1 1 A 111 111 LEU N N 111 119.654 127.311 -7.657 1 1 985 . 3 1 1 A 112 112 LEU H H 112 8.061 8.913 -0.852 1 1 986 . 3 1 1 A 112 112 LEU HA H 112 5.363 5.199 0.164 1 1 992 . 3 1 1 A 112 112 LEU C C 112 173.631 176.014 -2.383 1 1 993 . 3 1 1 A 112 112 LEU CA C 112 53.826 52.980 0.846 1 1 994 . 3 1 1 A 112 112 LEU CB C 112 44.182 42.737 1.445 1 1 996 . 3 1 1 A 112 112 LEU N N 112 121.946 128.776 -6.830 1 1 997 . 3 1 1 A 113 113 VAL H H 113 9.178 8.830 0.348 1 1 998 . 3 1 1 A 113 113 VAL HA H 113 4.878 5.015 -0.137 1 1 1006 . 3 1 1 A 113 113 VAL C C 113 174.300 175.063 -0.763 1 1 1007 . 3 1 1 A 113 113 VAL CA C 113 59.695 60.616 -0.921 1 1 1008 . 3 1 1 A 113 113 VAL CB C 113 33.323 34.606 -1.283 1 1 1011 . 3 1 1 A 113 113 VAL N N 113 125.807 126.047 -0.240 1 1 1012 . 3 1 1 A 114 114 GLY H H 114 8.731 9.448 -0.717 1 1 1013 . 3 1 1 A 114 114 GLY HA2 H 114 3.688 3.717 -0.029 1 1 1014 . 3 1 1 A 114 114 GLY HA3 H 114 3.270 4.080 -0.810 1 1 1015 . 3 1 1 A 114 114 GLY C C 114 173.360 172.749 0.611 1 1 1016 . 3 1 1 A 114 114 GLY CA C 114 44.195 44.421 -0.226 1 1 1017 . 3 1 1 A 114 114 GLY N N 114 115.079 115.291 -0.212 1 1 1018 . 3 1 1 A 115 115 THR H H 115 9.181 8.523 0.658 1 1 1019 . 3 1 1 A 115 115 THR HA H 115 4.969 5.041 -0.072 1 1 1024 . 3 1 1 A 115 115 THR C C 115 175.355 174.112 1.243 1 1 1025 . 3 1 1 A 115 115 THR CA C 115 59.375 59.943 -0.568 1 1 1026 . 3 1 1 A 115 115 THR CB C 115 70.530 70.949 -0.419 1 1 1028 . 3 1 1 A 115 115 THR N N 115 115.613 115.738 -0.125 1 1 1029 . 3 1 1 A 116 116 GLN H H 116 9.380 8.733 0.647 1 1 1030 . 3 1 1 A 116 116 GLN HA H 116 3.983 3.817 0.166 1 1 1033 . 3 1 1 A 116 116 GLN C C 116 179.110 176.711 2.399 1 1 1034 . 3 1 1 A 116 116 GLN CA C 116 56.195 56.615 -0.420 1 1 1035 . 3 1 1 A 116 116 GLN CB C 116 23.911 26.148 -2.237 1 1 1037 . 3 1 1 A 116 116 GLN N N 116 108.468 116.044 -7.576 1 1 1038 . 3 1 1 A 117 117 ILE H H 117 7.635 7.776 -0.141 1 1 1039 . 3 1 1 A 117 117 ILE HA H 117 3.814 3.913 -0.099 1 1 1042 . 3 1 1 A 117 117 ILE C C 117 178.002 176.808 1.194 1 1 1043 . 3 1 1 A 117 117 ILE CA C 117 64.828 63.190 1.638 1 1 1044 . 3 1 1 A 117 117 ILE CB C 117 36.327 37.487 -1.160 1 1 1047 . 3 1 1 A 118 118 ASP H H 118 8.732 8.104 0.628 1 1 1048 . 3 1 1 A 118 118 ASP HA H 118 4.468 4.501 -0.033 1 1 1051 . 3 1 1 A 118 118 ASP C C 118 176.888 178.550 -1.662 1 1 1052 . 3 1 1 A 118 118 ASP CA C 118 55.527 56.632 -1.105 1 1 1053 . 3 1 1 A 118 118 ASP CB C 118 40.482 40.340 0.142 1 1 1054 . 3 1 1 A 118 118 ASP N N 118 119.049 121.300 -2.251 1 1 1055 . 3 1 1 A 119 119 LEU H H 119 7.914 7.904 0.010 1 1 1056 . 3 1 1 A 119 119 LEU HA H 119 4.332 4.074 0.258 1 1 1066 . 3 1 1 A 119 119 LEU C C 119 178.015 178.554 -0.539 1 1 1067 . 3 1 1 A 119 119 LEU CA C 119 55.388 57.665 -2.277 1 1 1068 . 3 1 1 A 119 119 LEU CB C 119 41.573 41.642 -0.069 1 1 1071 . 3 1 1 A 119 119 LEU N N 119 117.783 121.629 -3.846 1 1 1072 . 3 1 1 A 120 120 ARG H H 120 7.256 8.123 -0.867 1 1 1073 . 3 1 1 A 120 120 ARG HA H 120 3.561 4.027 -0.466 1 1 1076 . 3 1 1 A 120 120 ARG C C 120 174.671 177.282 -2.611 1 1 1077 . 3 1 1 A 120 120 ARG CA C 120 60.041 59.004 1.037 1 1 1078 . 3 1 1 A 120 120 ARG CB C 120 30.079 29.811 0.268 1 1 1081 . 3 1 1 A 120 120 ARG N N 120 116.747 119.633 -2.886 1 1 1082 . 3 1 1 A 121 121 ASP H H 121 7.078 7.628 -0.550 1 1 1083 . 3 1 1 A 121 121 ASP HA H 121 4.802 4.715 0.087 1 1 1086 . 3 1 1 A 121 121 ASP C C 121 175.364 175.791 -0.427 1 1 1087 . 3 1 1 A 121 121 ASP CA C 121 52.775 54.342 -1.567 1 1 1088 . 3 1 1 A 121 121 ASP CB C 121 41.372 41.505 -0.133 1 1 1089 . 3 1 1 A 121 121 ASP N N 121 111.544 116.772 -5.228 1 1 1090 . 3 1 1 A 122 122 ASP H H 122 7.246 7.832 -0.586 1 1 1091 . 3 1 1 A 122 122 ASP HA H 122 4.983 4.783 0.200 1 1 1094 . 3 1 1 A 122 122 ASP CA C 122 51.575 52.492 -0.917 1 1 1095 . 3 1 1 A 122 122 ASP CB C 122 43.576 41.953 1.623 1 1 1096 . 3 1 1 A 122 122 ASP N N 122 122.169 122.772 -0.603 1 1 1097 . 3 1 1 A 123 123 PRO HA H 123 4.132 4.317 -0.185 1 1 1100 . 3 1 1 A 123 123 PRO C C 123 178.982 178.551 0.431 1 1 1101 . 3 1 1 A 123 123 PRO CA C 123 65.824 65.256 0.568 1 1 1102 . 3 1 1 A 123 123 PRO CB C 123 32.041 31.901 0.140 1 1 1104 . 3 1 1 A 124 124 SER H H 124 8.333 8.235 0.098 1 1 1105 . 3 1 1 A 124 124 SER HA H 124 4.762 4.216 0.546 1 1 1108 . 3 1 1 A 124 124 SER C C 124 176.716 177.246 -0.530 1 1 1109 . 3 1 1 A 124 124 SER CA C 124 62.073 61.096 0.977 1 1 1110 . 3 1 1 A 124 124 SER CB C 124 62.373 62.610 -0.237 1 1 1111 . 3 1 1 A 124 124 SER N N 124 112.482 112.603 -0.121 1 1 1112 . 3 1 1 A 125 125 THR H H 125 7.921 8.014 -0.093 1 1 1113 . 3 1 1 A 125 125 THR HA H 125 4.658 3.975 0.683 1 1 1118 . 3 1 1 A 125 125 THR C C 125 175.789 176.533 -0.744 1 1 1119 . 3 1 1 A 125 125 THR CA C 125 67.686 66.942 0.744 1 1 1121 . 3 1 1 A 125 125 THR N N 125 121.820 116.316 5.504 1 1 1122 . 3 1 1 A 126 126 ILE H H 126 8.234 7.761 0.473 1 1 1123 . 3 1 1 A 126 126 ILE HA H 126 3.550 3.633 -0.083 1 1 1126 . 3 1 1 A 126 126 ILE C C 126 179.057 178.385 0.672 1 1 1127 . 3 1 1 A 126 126 ILE CA C 126 65.032 65.475 -0.443 1 1 1128 . 3 1 1 A 126 126 ILE CB C 126 37.064 37.673 -0.609 1 1 1132 . 3 1 1 A 126 126 ILE N N 126 121.486 121.063 0.423 1 1 1133 . 3 1 1 A 127 127 GLU H H 127 8.240 8.194 0.046 1 1 1134 . 3 1 1 A 127 127 GLU HA H 127 4.165 4.003 0.162 1 1 1136 . 3 1 1 A 127 127 GLU C C 127 177.025 178.625 -1.600 1 1 1137 . 3 1 1 A 127 127 GLU CA C 127 59.326 59.272 0.054 1 1 1138 . 3 1 1 A 127 127 GLU CB C 127 29.330 29.295 0.035 1 1 1140 . 3 1 1 A 127 127 GLU N N 127 120.249 121.415 -1.166 1 1 1141 . 3 1 1 A 128 128 LYS H H 128 7.919 8.388 -0.469 1 1 1142 . 3 1 1 A 128 128 LYS HA H 128 3.978 4.109 -0.131 1 1 1146 . 3 1 1 A 128 128 LYS C C 128 179.838 179.185 0.653 1 1 1147 . 3 1 1 A 128 128 LYS CA C 128 59.938 59.201 0.737 1 1 1148 . 3 1 1 A 128 128 LYS CB C 128 31.691 32.127 -0.436 1 1 1152 . 3 1 1 A 128 128 LYS N N 128 120.679 120.251 0.428 1 1 1153 . 3 1 1 A 129 129 LEU H H 129 8.142 8.197 -0.055 1 1 1154 . 3 1 1 A 129 129 LEU HA H 129 4.128 4.164 -0.036 1 1 1160 . 3 1 1 A 129 129 LEU C C 129 179.701 178.823 0.878 1 1 1161 . 3 1 1 A 129 129 LEU CA C 129 57.904 57.599 0.305 1 1 1162 . 3 1 1 A 129 129 LEU CB C 129 41.674 40.747 0.927 1 1 1165 . 3 1 1 A 129 129 LEU N N 129 118.553 119.592 -1.039 1 1 1166 . 3 1 1 A 130 130 ALA H H 130 8.493 8.550 -0.057 1 1 1167 . 3 1 1 A 130 130 ALA HA H 130 4.286 4.355 -0.069 1 1 1171 . 3 1 1 A 130 130 ALA C C 130 182.027 178.975 3.052 1 1 1172 . 3 1 1 A 130 130 ALA CA C 130 55.358 55.806 -0.448 1 1 1173 . 3 1 1 A 130 130 ALA CB C 130 17.069 18.469 -1.400 1 1 1174 . 3 1 1 A 130 130 ALA N N 130 122.578 121.865 0.713 1 1 1175 . 3 1 1 A 131 131 LYS H H 131 8.065 7.923 0.142 1 1 1176 . 3 1 1 A 131 131 LYS HA H 131 4.124 3.948 0.176 1 1 1180 . 3 1 1 A 131 131 LYS C C 131 177.085 179.080 -1.995 1 1 1181 . 3 1 1 A 131 131 LYS CA C 131 59.093 59.803 -0.710 1 1 1182 . 3 1 1 A 131 131 LYS CB C 131 31.782 32.609 -0.827 1 1 1186 . 3 1 1 A 131 131 LYS N N 131 120.347 118.412 1.935 1 1 1187 . 3 1 1 A 132 132 ASN H H 132 7.414 7.818 -0.404 1 1 1188 . 3 1 1 A 132 132 ASN HA H 132 4.983 4.537 0.446 1 1 1193 . 3 1 1 A 132 132 ASN C C 132 173.584 175.979 -2.395 1 1 1194 . 3 1 1 A 132 132 ASN CA C 132 52.195 55.543 -3.348 1 1 1195 . 3 1 1 A 132 132 ASN CB C 132 39.210 38.913 0.297 1 1 1196 . 3 1 1 A 132 132 ASN N N 132 115.667 117.987 -2.320 1 1 1198 . 3 1 1 A 133 133 LYS H H 133 8.105 8.962 -0.857 1 1 1199 . 3 1 1 A 133 133 LYS HA H 133 3.956 4.510 -0.554 1 1 1204 . 3 1 1 A 133 133 LYS C C 133 175.311 176.348 -1.037 1 1 1205 . 3 1 1 A 133 133 LYS CA C 133 57.317 57.241 0.076 1 1 1206 . 3 1 1 A 133 133 LYS CB C 133 28.397 34.403 -6.006 1 1 1210 . 3 1 1 A 133 133 LYS N N 133 113.900 114.749 -0.849 1 1 1211 . 3 1 1 A 134 134 GLN H H 134 8.107 8.144 -0.037 1 1 1212 . 3 1 1 A 134 134 GLN HA H 134 4.777 4.588 0.189 1 1 1218 . 3 1 1 A 134 134 GLN C C 134 174.870 173.647 1.223 1 1 1219 . 3 1 1 A 134 134 GLN CA C 134 53.890 54.658 -0.768 1 1 1220 . 3 1 1 A 134 134 GLN CB C 134 33.095 29.250 3.845 1 1 1222 . 3 1 1 A 134 134 GLN N N 134 116.006 114.416 1.590 1 1 1224 . 3 1 1 A 135 135 LYS H H 135 7.974 8.503 -0.529 1 1 1225 . 3 1 1 A 135 135 LYS CA C 135 54.077 53.149 0.928 1 1 1226 . 3 1 1 A 135 135 LYS CB C 135 33.433 34.576 -1.143 1 1 1227 . 3 1 1 A 135 135 LYS N N 135 118.646 119.338 -0.692 1 1 1228 . 3 1 1 A 136 136 PRO HA H 136 4.378 4.462 -0.084 1 1 1232 . 3 1 1 A 136 136 PRO C C 136 174.976 176.472 -1.496 1 1 1233 . 3 1 1 A 136 136 PRO CA C 136 62.255 62.794 -0.539 1 1 1234 . 3 1 1 A 136 136 PRO CB C 136 32.147 32.614 -0.467 1 1 1237 . 3 1 1 A 137 137 ILE H H 137 9.147 8.406 0.741 1 1 1238 . 3 1 1 A 137 137 ILE HA H 137 3.918 4.347 -0.429 1 1 1245 . 3 1 1 A 137 137 ILE C C 137 176.126 176.581 -0.455 1 1 1246 . 3 1 1 A 137 137 ILE CA C 137 59.969 60.600 -0.631 1 1 1247 . 3 1 1 A 137 137 ILE CB C 137 36.848 39.158 -2.310 1 1 1248 . 3 1 1 A 137 137 ILE N N 137 122.234 122.124 0.110 1 1 1249 . 3 1 1 A 138 138 THR H H 138 7.993 8.915 -0.922 1 1 1250 . 3 1 1 A 138 138 THR HA H 138 4.765 4.968 -0.203 1 1 1255 . 3 1 1 A 138 138 THR CA C 138 59.171 59.597 -0.426 1 1 1256 . 3 1 1 A 138 138 THR CB C 138 68.488 68.854 -0.366 1 1 1257 . 3 1 1 A 138 138 THR N N 138 118.389 118.371 0.018 1 1 1258 . 3 1 1 A 139 139 PRO HA H 139 4.071 4.355 -0.284 1 1 1261 . 3 1 1 A 139 139 PRO C C 139 177.838 177.698 0.140 1 1 1262 . 3 1 1 A 139 139 PRO CA C 139 65.575 65.075 0.500 1 1 1263 . 3 1 1 A 139 139 PRO CB C 139 31.401 31.950 -0.549 1 1 1265 . 3 1 1 A 140 140 GLU H H 140 8.569 8.216 0.353 1 1 1266 . 3 1 1 A 140 140 GLU HA H 140 3.000 4.063 -1.063 1 1 1270 . 3 1 1 A 140 140 GLU C C 140 179.357 179.087 0.270 1 1 1271 . 3 1 1 A 140 140 GLU CA C 140 60.137 59.755 0.382 1 1 1272 . 3 1 1 A 140 140 GLU CB C 140 28.357 29.410 -1.053 1 1 1273 . 3 1 1 A 140 140 GLU N N 140 114.648 118.150 -3.502 1 1 1274 . 3 1 1 A 141 141 THR H H 141 7.579 7.766 -0.187 1 1 1275 . 3 1 1 A 141 141 THR HA H 141 3.811 3.874 -0.063 1 1 1280 . 3 1 1 A 141 141 THR C C 141 176.395 176.419 -0.024 1 1 1281 . 3 1 1 A 141 141 THR CA C 141 66.113 66.132 -0.019 1 1 1282 . 3 1 1 A 141 141 THR CB C 141 68.569 68.343 0.226 1 1 1284 . 3 1 1 A 141 141 THR N N 141 118.215 117.134 1.081 1 1 1285 . 3 1 1 A 142 142 ALA H H 142 7.562 8.190 -0.628 1 1 1286 . 3 1 1 A 142 142 ALA HA H 142 3.866 4.277 -0.411 1 1 1290 . 3 1 1 A 142 142 ALA C C 142 178.302 179.953 -1.651 1 1 1291 . 3 1 1 A 142 142 ALA CA C 142 55.332 55.162 0.170 1 1 1292 . 3 1 1 A 142 142 ALA CB C 142 16.606 18.333 -1.727 1 1 1293 . 3 1 1 A 142 142 ALA N N 142 125.491 123.402 2.089 1 1 1294 . 3 1 1 A 143 143 GLU H H 143 8.787 8.252 0.535 1 1 1295 . 3 1 1 A 143 143 GLU HA H 143 3.742 3.852 -0.110 1 1 1298 . 3 1 1 A 143 143 GLU C C 143 179.077 178.949 0.128 1 1 1299 . 3 1 1 A 143 143 GLU CA C 143 59.590 58.919 0.671 1 1 1300 . 3 1 1 A 143 143 GLU CB C 143 28.998 29.038 -0.040 1 1 1302 . 3 1 1 A 143 143 GLU N N 143 117.991 118.982 -0.991 1 1 1303 . 3 1 1 A 144 144 LYS H H 144 7.313 7.541 -0.228 1 1 1304 . 3 1 1 A 144 144 LYS HA H 144 3.950 4.008 -0.058 1 1 1307 . 3 1 1 A 144 144 LYS C C 144 177.781 179.436 -1.655 1 1 1308 . 3 1 1 A 144 144 LYS CA C 144 59.370 59.642 -0.272 1 1 1309 . 3 1 1 A 144 144 LYS CB C 144 31.718 32.394 -0.676 1 1 1313 . 3 1 1 A 144 144 LYS N N 144 118.815 119.637 -0.822 1 1 1314 . 3 1 1 A 145 145 LEU H H 145 7.326 7.539 -0.213 1 1 1315 . 3 1 1 A 145 145 LEU HA H 145 4.153 4.039 0.114 1 1 1324 . 3 1 1 A 145 145 LEU C C 145 178.162 178.422 -0.260 1 1 1325 . 3 1 1 A 145 145 LEU CA C 145 57.834 57.656 0.178 1 1 1326 . 3 1 1 A 145 145 LEU CB C 145 40.432 41.350 -0.918 1 1 1329 . 3 1 1 A 145 145 LEU N N 145 119.589 121.400 -1.811 1 1 1330 . 3 1 1 A 146 146 ALA H H 146 8.482 7.659 0.823 1 1 1331 . 3 1 1 A 146 146 ALA HA H 146 3.705 4.060 -0.355 1 1 1335 . 3 1 1 A 146 146 ALA C C 146 178.574 179.863 -1.289 1 1 1336 . 3 1 1 A 146 146 ALA CA C 146 55.543 55.184 0.359 1 1 1337 . 3 1 1 A 146 146 ALA CB C 146 17.663 18.170 -0.507 1 1 1338 . 3 1 1 A 146 146 ALA N N 146 118.809 121.139 -2.330 1 1 1339 . 3 1 1 A 147 147 ARG H H 147 7.714 8.188 -0.474 1 1 1340 . 3 1 1 A 147 147 ARG HA H 147 4.175 4.198 -0.023 1 1 1344 . 3 1 1 A 147 147 ARG C C 147 180.165 177.014 3.151 1 1 1345 . 3 1 1 A 147 147 ARG CA C 147 58.995 57.998 0.997 1 1 1346 . 3 1 1 A 147 147 ARG CB C 147 29.657 30.128 -0.471 1 1 1349 . 3 1 1 A 147 147 ARG N N 147 116.011 118.982 -2.971 1 1 1350 . 3 1 1 A 148 148 ASP H H 148 8.461 7.928 0.533 1 1 1351 . 3 1 1 A 148 148 ASP HA H 148 4.324 4.691 -0.367 1 1 1354 . 3 1 1 A 148 148 ASP C C 148 178.284 177.067 1.217 1 1 1355 . 3 1 1 A 148 148 ASP CA C 148 57.501 54.734 2.767 1 1 1356 . 3 1 1 A 148 148 ASP CB C 148 40.172 42.030 -1.858 1 1 1357 . 3 1 1 A 148 148 ASP N N 148 121.913 118.856 3.057 1 1 1358 . 3 1 1 A 149 149 LEU H H 149 8.364 7.132 1.232 1 1 1359 . 3 1 1 A 149 149 LEU HA H 149 4.365 4.402 -0.037 1 1 1368 . 3 1 1 A 149 149 LEU C C 149 174.985 175.865 -0.880 1 1 1369 . 3 1 1 A 149 149 LEU CA C 149 54.315 54.446 -0.131 1 1 1370 . 3 1 1 A 149 149 LEU CB C 149 41.373 41.753 -0.380 1 1 1373 . 3 1 1 A 149 149 LEU N N 149 115.324 116.496 -1.172 1 1 1374 . 3 1 1 A 150 150 LYS H H 150 7.624 7.971 -0.347 1 1 1375 . 3 1 1 A 150 150 LYS HA H 150 3.783 3.876 -0.093 1 1 1379 . 3 1 1 A 150 150 LYS C C 150 177.003 175.675 1.328 1 1 1380 . 3 1 1 A 150 150 LYS CA C 150 57.457 57.430 0.027 1 1 1381 . 3 1 1 A 150 150 LYS CB C 150 27.730 29.320 -1.590 1 1 1385 . 3 1 1 A 150 150 LYS N N 150 111.768 115.041 -3.273 1 1 1386 . 3 1 1 A 151 151 ALA H H 151 8.248 7.758 0.490 1 1 1387 . 3 1 1 A 151 151 ALA HA H 151 2.979 4.301 -1.322 1 1 1391 . 3 1 1 A 151 151 ALA C C 151 177.944 177.673 0.271 1 1 1392 . 3 1 1 A 151 151 ALA CA C 151 51.231 52.538 -1.307 1 1 1393 . 3 1 1 A 151 151 ALA CB C 151 19.707 19.581 0.126 1 1 1394 . 3 1 1 A 151 151 ALA N N 151 119.649 120.283 -0.634 1 1 1395 . 3 1 1 A 152 152 VAL H H 152 8.684 8.920 -0.236 1 1 1396 . 3 1 1 A 152 152 VAL HA H 152 3.478 3.912 -0.434 1 1 1404 . 3 1 1 A 152 152 VAL C C 152 176.367 175.751 0.616 1 1 1405 . 3 1 1 A 152 152 VAL CA C 152 66.127 64.889 1.238 1 1 1406 . 3 1 1 A 152 152 VAL CB C 152 32.285 32.274 0.011 1 1 1409 . 3 1 1 A 152 152 VAL N N 152 120.805 122.586 -1.781 1 1 1410 . 3 1 1 A 153 153 LYS H H 153 6.865 7.557 -0.692 1 1 1411 . 3 1 1 A 153 153 LYS HA H 153 4.344 4.806 -0.462 1 1 1416 . 3 1 1 A 153 153 LYS C C 153 172.951 173.816 -0.865 1 1 1417 . 3 1 1 A 153 153 LYS CA C 153 55.049 55.827 -0.778 1 1 1418 . 3 1 1 A 153 153 LYS CB C 153 34.332 36.094 -1.762 1 1 1422 . 3 1 1 A 153 153 LYS N N 153 108.179 116.762 -8.583 1 1 1423 . 3 1 1 A 154 154 TYR H H 154 8.606 8.657 -0.051 1 1 1424 . 3 1 1 A 154 154 TYR HA H 154 5.761 6.058 -0.297 1 1 1426 . 3 1 1 A 154 154 TYR C C 154 174.216 174.533 -0.317 1 1 1427 . 3 1 1 A 154 154 TYR CA C 154 55.910 55.111 0.799 1 1 1428 . 3 1 1 A 154 154 TYR CB C 154 40.457 42.061 -1.604 1 1 1429 . 3 1 1 A 154 154 TYR N N 154 120.249 118.921 1.328 1 1 1430 . 3 1 1 A 155 155 VAL H H 155 8.271 9.100 -0.829 1 1 1431 . 3 1 1 A 155 155 VAL HA H 155 4.138 4.724 -0.586 1 1 1439 . 3 1 1 A 155 155 VAL C C 155 171.653 174.630 -2.977 1 1 1440 . 3 1 1 A 155 155 VAL CA C 155 58.344 60.121 -1.777 1 1 1441 . 3 1 1 A 155 155 VAL CB C 155 34.645 35.353 -0.708 1 1 1444 . 3 1 1 A 155 155 VAL N N 155 121.448 120.598 0.850 1 1 1445 . 3 1 1 A 156 156 GLU H H 156 8.030 8.629 -0.599 1 1 1446 . 3 1 1 A 156 156 GLU HA H 156 5.393 4.943 0.450 1 1 1449 . 3 1 1 A 156 156 GLU C C 156 175.890 175.487 0.403 1 1 1450 . 3 1 1 A 156 156 GLU CA C 156 53.775 55.193 -1.418 1 1 1451 . 3 1 1 A 156 156 GLU CB C 156 31.521 31.271 0.250 1 1 1453 . 3 1 1 A 156 156 GLU N N 156 113.147 125.603 -12.456 1 1 1454 . 3 1 1 A 157 157 CYS H H 157 8.838 9.573 -0.735 1 1 1455 . 3 1 1 A 157 157 CYS HA H 157 5.324 5.236 0.088 1 1 1458 . 3 1 1 A 157 157 CYS C C 157 171.554 172.391 -0.837 1 1 1459 . 3 1 1 A 157 157 CYS CA C 157 55.749 57.091 -1.342 1 1 1460 . 3 1 1 A 157 157 CYS CB C 157 32.041 31.415 0.626 1 1 1461 . 3 1 1 A 157 157 CYS N N 157 111.910 122.733 -10.823 1 1 1462 . 3 1 1 A 158 158 SER H H 158 8.277 8.755 -0.478 1 1 1463 . 3 1 1 A 158 158 SER HA H 158 5.211 4.766 0.445 1 1 1466 . 3 1 1 A 158 158 SER C C 158 176.246 174.911 1.335 1 1 1467 . 3 1 1 A 158 158 SER CA C 158 55.892 56.492 -0.600 1 1 1468 . 3 1 1 A 158 158 SER CB C 158 65.035 63.745 1.290 1 1 1469 . 3 1 1 A 158 158 SER N N 158 110.284 119.674 -9.390 1 1 1470 . 3 1 1 A 159 159 ALA H H 159 9.297 8.791 0.506 1 1 1471 . 3 1 1 A 159 159 ALA HA H 159 4.210 3.975 0.235 1 1 1475 . 3 1 1 A 159 159 ALA C C 159 177.030 179.575 -2.545 1 1 1476 . 3 1 1 A 159 159 ALA CA C 159 54.522 54.977 -0.455 1 1 1477 . 3 1 1 A 159 159 ALA CB C 159 18.828 18.235 0.593 1 1 1478 . 3 1 1 A 159 159 ALA N N 159 132.318 130.240 2.078 1 1 1479 . 3 1 1 A 160 160 LEU H H 160 7.361 7.471 -0.110 1 1 1480 . 3 1 1 A 160 160 LEU HA H 160 3.307 2.903 0.404 1 1 1485 . 3 1 1 A 160 160 LEU C C 160 177.619 176.587 1.032 1 1 1486 . 3 1 1 A 160 160 LEU CA C 160 57.497 56.560 0.937 1 1 1487 . 3 1 1 A 160 160 LEU CB C 160 43.255 41.763 1.492 1 1 1490 . 3 1 1 A 160 160 LEU N N 160 118.308 117.254 1.054 1 1 1491 . 3 1 1 A 161 161 THR H H 161 8.109 7.112 0.997 1 1 1492 . 3 1 1 A 161 161 THR HA H 161 4.218 4.749 -0.531 1 1 1497 . 3 1 1 A 161 161 THR C C 161 176.064 174.570 1.494 1 1 1498 . 3 1 1 A 161 161 THR CA C 161 61.435 59.089 2.346 1 1 1499 . 3 1 1 A 161 161 THR CB C 161 69.809 72.082 -2.273 1 1 1501 . 3 1 1 A 161 161 THR N N 161 106.273 110.357 -4.084 1 1 1502 . 3 1 1 A 162 162 GLN H H 162 7.457 8.748 -1.291 1 1 1503 . 3 1 1 A 162 162 GLN HA H 162 3.923 4.299 -0.376 1 1 1509 . 3 1 1 A 162 162 GLN C C 162 174.988 176.707 -1.719 1 1 1510 . 3 1 1 A 162 162 GLN CA C 162 59.015 57.487 1.528 1 1 1511 . 3 1 1 A 162 162 GLN CB C 162 25.425 28.353 -2.928 1 1 1513 . 3 1 1 A 162 162 GLN N N 162 112.744 120.332 -7.588 1 1 1515 . 3 1 1 A 163 163 LYS H H 163 7.831 7.526 0.305 1 1 1516 . 3 1 1 A 163 163 LYS HA H 163 4.163 4.270 -0.107 1 1 1519 . 3 1 1 A 163 163 LYS C C 163 177.322 178.079 -0.757 1 1 1520 . 3 1 1 A 163 163 LYS CA C 163 58.055 56.914 1.141 1 1 1521 . 3 1 1 A 163 163 LYS CB C 163 32.041 32.242 -0.201 1 1 1525 . 3 1 1 A 163 163 LYS N N 163 124.132 118.380 5.752 1 1 1526 . 3 1 1 A 164 164 GLY H H 164 9.133 7.879 1.254 1 1 1527 . 3 1 1 A 164 164 GLY HA2 H 164 4.293 3.734 0.559 1 1 1528 . 3 1 1 A 164 164 GLY HA3 H 164 3.860 3.739 0.121 1 1 1529 . 3 1 1 A 164 164 GLY C C 164 174.825 175.276 -0.451 1 1 1530 . 3 1 1 A 164 164 GLY CA C 164 46.375 46.968 -0.593 1 1 1531 . 3 1 1 A 164 164 GLY N N 164 114.473 108.842 5.631 1 1 1532 . 3 1 1 A 165 165 LEU H H 165 7.400 8.306 -0.906 1 1 1533 . 3 1 1 A 165 165 LEU HA H 165 3.792 4.120 -0.328 1 1 1538 . 3 1 1 A 165 165 LEU C C 165 176.722 179.470 -2.748 1 1 1539 . 3 1 1 A 165 165 LEU CA C 165 58.737 57.829 0.908 1 1 1540 . 3 1 1 A 165 165 LEU CB C 165 43.498 41.627 1.871 1 1 1543 . 3 1 1 A 165 165 LEU N N 165 121.187 121.978 -0.791 1 1 1544 . 3 1 1 A 166 166 LYS H H 166 8.580 8.091 0.489 1 1 1545 . 3 1 1 A 166 166 LYS HA H 166 4.151 4.067 0.084 1 1 1548 . 3 1 1 A 166 166 LYS C C 166 179.204 178.583 0.621 1 1 1549 . 3 1 1 A 166 166 LYS CA C 166 60.208 59.399 0.809 1 1 1550 . 3 1 1 A 166 166 LYS CB C 166 31.801 32.084 -0.283 1 1 1554 . 3 1 1 A 166 166 LYS N N 166 116.769 118.149 -1.380 1 1 1555 . 3 1 1 A 167 167 ASN H H 167 8.125 8.088 0.037 1 1 1556 . 3 1 1 A 167 167 ASN HA H 167 4.349 4.503 -0.154 1 1 1559 . 3 1 1 A 167 167 ASN C C 167 175.612 177.637 -2.025 1 1 1560 . 3 1 1 A 167 167 ASN CA C 167 56.686 56.370 0.316 1 1 1561 . 3 1 1 A 167 167 ASN CB C 167 38.650 38.711 -0.061 1 1 1562 . 3 1 1 A 167 167 ASN N N 167 114.773 118.324 -3.551 1 1 1563 . 3 1 1 A 168 168 VAL H H 168 7.365 7.512 -0.147 1 1 1564 . 3 1 1 A 168 168 VAL HA H 168 2.910 3.989 -1.079 1 1 1569 . 3 1 1 A 168 168 VAL C C 168 175.770 178.121 -2.351 1 1 1570 . 3 1 1 A 168 168 VAL CA C 168 67.103 64.537 2.566 1 1 1571 . 3 1 1 A 168 168 VAL CB C 168 30.845 31.667 -0.822 1 1 1574 . 3 1 1 A 168 168 VAL N N 168 117.042 116.562 0.480 1 1 1575 . 3 1 1 A 169 169 PHE H H 169 6.368 8.450 -2.082 1 1 1576 . 3 1 1 A 169 169 PHE HA H 169 3.751 4.196 -0.445 1 1 1579 . 3 1 1 A 169 169 PHE C C 169 178.202 177.360 0.842 1 1 1580 . 3 1 1 A 169 169 PHE CA C 169 61.975 61.406 0.569 1 1 1581 . 3 1 1 A 169 169 PHE CB C 169 38.990 39.184 -0.194 1 1 1582 . 3 1 1 A 169 169 PHE N N 169 113.983 123.793 -9.810 1 1 1583 . 3 1 1 A 170 170 ASP H H 170 7.906 8.419 -0.513 1 1 1584 . 3 1 1 A 170 170 ASP HA H 170 4.338 4.105 0.233 1 1 1586 . 3 1 1 A 170 170 ASP C C 170 178.596 178.459 0.137 1 1 1587 . 3 1 1 A 170 170 ASP CA C 170 57.540 57.303 0.237 1 1 1588 . 3 1 1 A 170 170 ASP CB C 170 39.481 39.962 -0.481 1 1 1589 . 3 1 1 A 170 170 ASP N N 170 120.793 119.509 1.284 1 1 1590 . 3 1 1 A 171 171 GLU H H 171 8.048 8.256 -0.208 1 1 1591 . 3 1 1 A 171 171 GLU HA H 171 3.989 3.977 0.012 1 1 1594 . 3 1 1 A 171 171 GLU C C 171 179.405 178.387 1.018 1 1 1595 . 3 1 1 A 171 171 GLU CA C 171 58.130 59.349 -1.219 1 1 1596 . 3 1 1 A 171 171 GLU CB C 171 27.546 29.101 -1.555 1 1 1598 . 3 1 1 A 171 171 GLU N N 171 115.893 119.980 -4.087 1 1 1599 . 3 1 1 A 172 172 ALA H H 172 7.937 7.694 0.243 1 1 1600 . 3 1 1 A 172 172 ALA HA H 172 3.759 3.962 -0.203 1 1 1604 . 3 1 1 A 172 172 ALA C C 172 177.968 180.075 -2.107 1 1 1605 . 3 1 1 A 172 172 ALA CA C 172 55.395 54.955 0.440 1 1 1606 . 3 1 1 A 172 172 ALA CB C 172 17.084 18.187 -1.103 1 1 1607 . 3 1 1 A 172 172 ALA N N 172 123.733 121.406 2.327 1 1 1608 . 3 1 1 A 173 173 ILE H H 173 7.645 7.257 0.388 1 1 1609 . 3 1 1 A 173 173 ILE HA H 173 3.314 3.475 -0.161 1 1 1615 . 3 1 1 A 173 173 ILE C C 173 177.082 177.620 -0.538 1 1 1616 . 3 1 1 A 173 173 ILE CA C 173 65.755 64.747 1.008 1 1 1617 . 3 1 1 A 173 173 ILE CB C 173 37.448 37.410 0.038 1 1 1621 . 3 1 1 A 173 173 ILE N N 173 116.213 119.482 -3.269 1 1 1622 . 3 1 1 A 174 174 LEU H H 174 7.703 7.837 -0.134 1 1 1623 . 3 1 1 A 174 174 LEU HA H 174 3.760 3.865 -0.105 1 1 1629 . 3 1 1 A 174 174 LEU C C 174 179.847 178.194 1.653 1 1 1630 . 3 1 1 A 174 174 LEU CA C 174 58.049 57.870 0.179 1 1 1631 . 3 1 1 A 174 174 LEU CB C 174 40.973 41.061 -0.088 1 1 1634 . 3 1 1 A 174 174 LEU N N 174 116.496 121.023 -4.527 1 1 1635 . 3 1 1 A 175 175 ALA H H 175 7.927 7.652 0.275 1 1 1636 . 3 1 1 A 175 175 ALA HA H 175 4.057 3.902 0.155 1 1 1640 . 3 1 1 A 175 175 ALA C C 175 178.605 179.384 -0.779 1 1 1641 . 3 1 1 A 175 175 ALA CA C 175 54.004 55.212 -1.208 1 1 1642 . 3 1 1 A 175 175 ALA CB C 175 18.464 18.230 0.234 1 1 1643 . 3 1 1 A 175 175 ALA N N 175 118.760 120.228 -1.468 1 1 1644 . 3 1 1 A 176 176 ALA H H 176 7.647 7.735 -0.088 1 1 1645 . 3 1 1 A 176 176 ALA HA H 176 4.035 3.967 0.068 1 1 1649 . 3 1 1 A 176 176 ALA C C 176 178.284 179.856 -1.572 1 1 1650 . 3 1 1 A 176 176 ALA CA C 176 53.335 54.736 -1.401 1 1 1651 . 3 1 1 A 176 176 ALA CB C 176 18.985 17.764 1.221 1 1 1652 . 3 1 1 A 176 176 ALA N N 176 117.532 120.319 -2.787 1 1 1653 . 3 1 1 A 177 177 LEU H H 177 7.419 7.059 0.360 1 1 1654 . 3 1 1 A 177 177 LEU HA H 177 4.210 4.004 0.206 1 1 1658 . 3 1 1 A 177 177 LEU C C 177 174.091 176.523 -2.432 1 1 1659 . 3 1 1 A 177 177 LEU CA C 177 55.035 57.327 -2.292 1 1 1660 . 3 1 1 A 177 177 LEU CB C 177 42.340 41.934 0.406 1 1 1663 . 3 1 1 A 177 177 LEU N N 177 115.220 118.461 -3.241 1 1 9 . 4 1 1 A 2 2 GLN H H 2 8.458 8.037 0.421 1 1 10 . 4 1 1 A 2 2 GLN HA H 2 4.330 4.105 0.225 1 1 17 . 4 1 1 A 2 2 GLN C C 2 176.274 174.977 1.297 1 1 18 . 4 1 1 A 2 2 GLN CA C 2 55.806 58.276 -2.470 1 1 19 . 4 1 1 A 2 2 GLN CB C 2 32.011 29.109 2.902 1 1 21 . 4 1 1 A 2 2 GLN N N 2 121.530 119.054 2.476 1 1 23 . 4 1 1 A 3 3 THR H H 3 7.618 7.761 -0.143 1 1 24 . 4 1 1 A 3 3 THR HA H 3 4.683 4.882 -0.199 1 1 29 . 4 1 1 A 3 3 THR C C 3 173.331 172.057 1.274 1 1 30 . 4 1 1 A 3 3 THR CA C 3 61.640 59.907 1.733 1 1 31 . 4 1 1 A 3 3 THR CB C 3 70.160 72.024 -1.864 1 1 33 . 4 1 1 A 3 3 THR N N 3 120.510 111.805 8.705 1 1 34 . 4 1 1 A 4 4 ILE H H 4 9.077 8.999 0.078 1 1 35 . 4 1 1 A 4 4 ILE HA H 4 4.418 4.553 -0.135 1 1 38 . 4 1 1 A 4 4 ILE C C 4 173.824 174.629 -0.805 1 1 39 . 4 1 1 A 4 4 ILE CA C 4 59.775 60.130 -0.355 1 1 40 . 4 1 1 A 4 4 ILE CB C 4 40.441 39.787 0.654 1 1 44 . 4 1 1 A 4 4 ILE N N 4 127.486 124.883 2.603 1 1 45 . 4 1 1 A 5 5 LYS H H 5 10.666 8.905 1.761 1 1 46 . 4 1 1 A 5 5 LYS HA H 5 4.773 4.721 0.052 1 1 47 . 4 1 1 A 5 5 LYS C C 5 174.398 175.731 -1.333 1 1 48 . 4 1 1 A 5 5 LYS CA C 5 56.175 55.625 0.550 1 1 49 . 4 1 1 A 5 5 LYS CB C 5 31.965 33.495 -1.530 1 1 52 . 4 1 1 A 5 5 LYS N N 5 131.626 127.067 4.559 1 1 53 . 4 1 1 A 6 6 CYS H H 6 9.473 8.756 0.717 1 1 54 . 4 1 1 A 6 6 CYS HA H 6 5.580 5.282 0.298 1 1 57 . 4 1 1 A 6 6 CYS C C 6 172.210 173.299 -1.089 1 1 58 . 4 1 1 A 6 6 CYS CA C 6 56.195 57.559 -1.364 1 1 59 . 4 1 1 A 6 6 CYS CB C 6 28.604 31.160 -2.556 1 1 60 . 4 1 1 A 6 6 CYS N N 6 131.522 122.132 9.390 1 1 61 . 4 1 1 A 7 7 VAL H H 7 7.607 8.264 -0.657 1 1 62 . 4 1 1 A 7 7 VAL HA H 7 5.014 4.775 0.239 1 1 70 . 4 1 1 A 7 7 VAL C C 7 174.077 174.764 -0.687 1 1 71 . 4 1 1 A 7 7 VAL CA C 7 60.575 61.179 -0.604 1 1 72 . 4 1 1 A 7 7 VAL CB C 7 33.100 34.247 -1.147 1 1 74 . 4 1 1 A 7 7 VAL N N 7 128.326 124.641 3.685 1 1 75 . 4 1 1 A 8 8 VAL H H 8 8.566 8.209 0.357 1 1 76 . 4 1 1 A 8 8 VAL HA H 8 4.784 4.831 -0.047 1 1 84 . 4 1 1 A 8 8 VAL C C 8 174.443 174.716 -0.273 1 1 85 . 4 1 1 A 8 8 VAL CA C 8 61.573 60.652 0.921 1 1 86 . 4 1 1 A 8 8 VAL CB C 8 32.367 34.408 -2.041 1 1 88 . 4 1 1 A 8 8 VAL N N 8 127.481 126.962 0.519 1 1 89 . 4 1 1 A 9 9 VAL H H 9 8.923 8.383 0.540 1 1 90 . 4 1 1 A 9 9 VAL HA H 9 4.419 4.779 -0.360 1 1 98 . 4 1 1 A 9 9 VAL C C 9 173.171 173.013 0.158 1 1 99 . 4 1 1 A 9 9 VAL CA C 9 58.397 59.833 -1.436 1 1 100 . 4 1 1 A 9 9 VAL CB C 9 35.085 35.496 -0.411 1 1 102 . 4 1 1 A 9 9 VAL N N 9 116.900 124.335 -7.435 1 1 103 . 4 1 1 A 10 10 GLY H H 10 6.267 8.804 -2.537 1 1 104 . 4 1 1 A 10 10 GLY HA2 H 10 4.159 4.428 -0.269 1 1 105 . 4 1 1 A 10 10 GLY HA3 H 10 1.722 4.472 -2.750 1 1 106 . 4 1 1 A 10 10 GLY C C 10 172.378 171.843 0.535 1 1 107 . 4 1 1 A 10 10 GLY CA C 10 42.935 44.110 -1.175 1 1 108 . 4 1 1 A 10 10 GLY N N 10 106.077 113.720 -7.643 1 1 109 . 4 1 1 A 11 11 ASP H H 11 8.399 8.465 -0.066 1 1 110 . 4 1 1 A 11 11 ASP HA H 11 4.737 5.057 -0.320 1 1 112 . 4 1 1 A 11 11 ASP C C 11 177.486 176.434 1.052 1 1 113 . 4 1 1 A 11 11 ASP CA C 11 55.635 54.220 1.415 1 1 114 . 4 1 1 A 11 11 ASP CB C 11 41.076 41.795 -0.719 1 1 115 . 4 1 1 A 11 11 ASP N N 11 119.142 121.533 -2.391 1 1 116 . 4 1 1 A 12 12 GLY H H 12 8.902 9.111 -0.209 1 1 117 . 4 1 1 A 12 12 GLY HA2 H 12 3.954 3.949 0.005 1 1 118 . 4 1 1 A 12 12 GLY HA3 H 12 3.718 3.952 -0.234 1 1 119 . 4 1 1 A 12 12 GLY C C 12 173.624 174.838 -1.214 1 1 120 . 4 1 1 A 12 12 GLY CA C 12 46.955 47.209 -0.254 1 1 121 . 4 1 1 A 12 12 GLY N N 12 104.688 113.617 -8.929 1 1 122 . 4 1 1 A 13 13 ALA H H 13 10.666 8.056 2.610 1 1 123 . 4 1 1 A 13 13 ALA HA H 13 4.067 4.495 -0.428 1 1 127 . 4 1 1 A 13 13 ALA CA C 13 53.455 51.592 1.863 1 1 128 . 4 1 1 A 13 13 ALA CB C 13 15.706 19.428 -3.722 1 1 129 . 4 1 1 A 13 13 ALA N N 13 123.135 121.732 1.403 1 1 130 . 4 1 1 A 14 14 VAL H H 14 7.663 8.668 -1.005 1 1 131 . 4 1 1 A 14 14 VAL HA H 14 4.146 3.868 0.278 1 1 132 . 4 1 1 A 14 14 VAL C C 14 175.007 176.671 -1.664 1 1 133 . 4 1 1 A 14 14 VAL CA C 14 62.015 65.041 -3.026 1 1 134 . 4 1 1 A 14 14 VAL N N 14 118.803 121.460 -2.657 1 1 135 . 4 1 1 A 15 15 GLY H H 15 8.686 7.959 0.727 1 1 136 . 4 1 1 A 15 15 GLY HA2 H 15 4.838 4.046 0.792 1 1 137 . 4 1 1 A 15 15 GLY HA3 H 15 4.312 4.056 0.256 1 1 138 . 4 1 1 A 15 15 GLY C C 15 175.934 175.285 0.649 1 1 139 . 4 1 1 A 15 15 GLY CA C 15 44.835 45.575 -0.740 1 1 140 . 4 1 1 A 15 15 GLY N N 15 110.360 109.280 1.080 1 1 141 . 4 1 1 A 16 16 LYS H H 16 10.352 7.864 2.488 1 1 142 . 4 1 1 A 16 16 LYS HA H 16 3.575 4.103 -0.528 1 1 143 . 4 1 1 A 16 16 LYS C C 16 176.582 178.779 -2.197 1 1 144 . 4 1 1 A 16 16 LYS CA C 16 60.695 58.732 1.963 1 1 145 . 4 1 1 A 16 16 LYS CB C 16 29.661 32.225 -2.564 1 1 146 . 4 1 1 A 16 16 LYS N N 16 125.835 121.117 4.718 1 1 147 . 4 1 1 A 17 17 THR H H 17 9.024 8.172 0.852 1 1 148 . 4 1 1 A 17 17 THR HA H 17 3.930 4.081 -0.151 1 1 153 . 4 1 1 A 17 17 THR C C 17 177.493 176.686 0.807 1 1 154 . 4 1 1 A 17 17 THR CA C 17 66.984 65.602 1.382 1 1 155 . 4 1 1 A 17 17 THR CB C 17 67.298 68.145 -0.847 1 1 157 . 4 1 1 A 17 17 THR N N 17 118.089 113.510 4.579 1 1 158 . 4 1 1 A 18 18 CYS H H 18 9.773 8.214 1.559 1 1 159 . 4 1 1 A 18 18 CYS HA H 18 3.580 4.148 -0.568 1 1 162 . 4 1 1 A 18 18 CYS C C 18 176.716 177.298 -0.582 1 1 163 . 4 1 1 A 18 18 CYS CA C 18 65.816 61.647 4.169 1 1 164 . 4 1 1 A 18 18 CYS CB C 18 27.655 27.459 0.196 1 1 165 . 4 1 1 A 18 18 CYS N N 18 119.747 120.642 -0.895 1 1 166 . 4 1 1 A 19 19 LEU H H 19 8.195 7.768 0.427 1 1 167 . 4 1 1 A 19 19 LEU HA H 19 3.940 4.081 -0.141 1 1 174 . 4 1 1 A 19 19 LEU C C 19 177.177 178.658 -1.481 1 1 175 . 4 1 1 A 19 19 LEU CA C 19 59.366 58.051 1.315 1 1 176 . 4 1 1 A 19 19 LEU CB C 19 41.377 41.562 -0.185 1 1 178 . 4 1 1 A 19 19 LEU N N 19 121.557 124.224 -2.667 1 1 179 . 4 1 1 A 20 20 LEU H H 20 7.270 8.090 -0.820 1 1 180 . 4 1 1 A 20 20 LEU HA H 20 3.840 4.113 -0.273 1 1 189 . 4 1 1 A 20 20 LEU C C 20 180.155 178.780 1.375 1 1 190 . 4 1 1 A 20 20 LEU CA C 20 57.629 57.907 -0.278 1 1 191 . 4 1 1 A 20 20 LEU CB C 20 41.498 41.810 -0.312 1 1 194 . 4 1 1 A 20 20 LEU N N 20 117.986 117.757 0.229 1 1 195 . 4 1 1 A 21 21 ILE H H 21 8.619 7.650 0.969 1 1 196 . 4 1 1 A 21 21 ILE HA H 21 3.090 3.576 -0.486 1 1 202 . 4 1 1 A 21 21 ILE C C 21 179.125 177.965 1.160 1 1 203 . 4 1 1 A 21 21 ILE CA C 21 66.129 65.093 1.036 1 1 204 . 4 1 1 A 21 21 ILE CB C 21 38.338 37.256 1.082 1 1 208 . 4 1 1 A 21 21 ILE N N 21 121.078 120.600 0.478 1 1 209 . 4 1 1 A 22 22 SER H H 22 8.899 8.053 0.846 1 1 210 . 4 1 1 A 22 22 SER HA H 22 4.517 4.108 0.409 1 1 213 . 4 1 1 A 22 22 SER C C 22 176.876 176.432 0.444 1 1 214 . 4 1 1 A 22 22 SER CA C 22 61.380 60.694 0.686 1 1 215 . 4 1 1 A 22 22 SER CB C 22 63.882 63.216 0.666 1 1 216 . 4 1 1 A 22 22 SER N N 22 118.286 114.996 3.290 1 1 217 . 4 1 1 A 23 23 TYR H H 23 7.951 7.247 0.704 1 1 218 . 4 1 1 A 23 23 TYR HA H 23 4.264 4.165 0.099 1 1 223 . 4 1 1 A 23 23 TYR C C 23 176.820 177.523 -0.703 1 1 224 . 4 1 1 A 23 23 TYR CA C 23 60.474 61.446 -0.972 1 1 225 . 4 1 1 A 23 23 TYR CB C 23 39.531 38.902 0.629 1 1 226 . 4 1 1 A 23 23 TYR N N 23 117.292 122.610 -5.318 1 1 227 . 4 1 1 A 24 24 THR H H 24 7.702 8.364 -0.662 1 1 228 . 4 1 1 A 24 24 THR HA H 24 3.614 4.040 -0.426 1 1 233 . 4 1 1 A 24 24 THR C C 24 176.500 175.441 1.059 1 1 234 . 4 1 1 A 24 24 THR CA C 24 64.095 65.352 -1.257 1 1 235 . 4 1 1 A 24 24 THR CB C 24 70.437 67.922 2.515 1 1 237 . 4 1 1 A 24 24 THR N N 24 105.659 112.942 -7.283 1 1 238 . 4 1 1 A 25 25 THR H H 25 8.080 8.099 -0.019 1 1 239 . 4 1 1 A 25 25 THR HA H 25 4.556 4.498 0.058 1 1 244 . 4 1 1 A 25 25 THR C C 25 175.025 174.176 0.849 1 1 245 . 4 1 1 A 25 25 THR CA C 25 61.975 60.736 1.239 1 1 246 . 4 1 1 A 25 25 THR CB C 25 72.012 69.365 2.647 1 1 248 . 4 1 1 A 25 25 THR N N 25 109.689 112.419 -2.730 1 1 249 . 4 1 1 A 26 26 ASN H H 26 7.603 8.181 -0.578 1 1 250 . 4 1 1 A 26 26 ASN HA H 26 4.501 4.822 -0.321 1 1 253 . 4 1 1 A 26 26 ASN C C 26 173.259 174.290 -1.031 1 1 254 . 4 1 1 A 26 26 ASN CA C 26 55.218 52.816 2.402 1 1 255 . 4 1 1 A 26 26 ASN CB C 26 38.009 39.918 -1.909 1 1 256 . 4 1 1 A 26 26 ASN N N 26 115.569 119.706 -4.137 1 1 257 . 4 1 1 A 27 27 LYS H H 27 7.698 7.108 0.590 1 1 258 . 4 1 1 A 27 27 LYS HA H 27 4.431 4.520 -0.089 1 1 261 . 4 1 1 A 27 27 LYS C C 27 173.500 176.578 -3.078 1 1 262 . 4 1 1 A 27 27 LYS CA C 27 55.163 55.100 0.063 1 1 263 . 4 1 1 A 27 27 LYS CB C 27 35.034 32.708 2.326 1 1 267 . 4 1 1 A 27 27 LYS N N 27 118.253 119.527 -1.274 1 1 268 . 4 1 1 A 28 28 PHE H H 28 8.554 8.894 -0.340 1 1 269 . 4 1 1 A 28 28 PHE CA C 28 55.575 61.992 -6.417 1 1 270 . 4 1 1 A 28 28 PHE CB C 28 39.322 38.838 0.484 1 1 271 . 4 1 1 A 28 28 PHE N N 28 125.682 123.532 2.150 1 1 272 . 4 1 1 A 29 29 PRO HA H 29 4.373 3.326 1.047 1 1 274 . 4 1 1 A 29 29 PRO C C 29 173.611 176.366 -2.755 1 1 275 . 4 1 1 A 29 29 PRO CA C 29 61.978 64.916 -2.938 1 1 276 . 4 1 1 A 29 29 PRO CB C 29 30.039 30.286 -0.247 1 1 279 . 4 1 1 A 30 30 SER H H 30 7.993 7.781 0.212 1 1 280 . 4 1 1 A 30 30 SER HA H 30 4.285 3.787 0.498 1 1 283 . 4 1 1 A 30 30 SER C C 30 174.665 173.915 0.750 1 1 284 . 4 1 1 A 30 30 SER CA C 30 58.948 58.489 0.459 1 1 285 . 4 1 1 A 30 30 SER CB C 30 64.019 61.588 2.431 1 1 286 . 4 1 1 A 30 30 SER N N 30 116.682 113.205 3.477 1 1 287 . 4 1 1 A 31 31 GLU H H 31 8.198 7.795 0.403 1 1 288 . 4 1 1 A 31 31 GLU HA H 31 4.308 3.987 0.321 1 1 292 . 4 1 1 A 31 31 GLU C C 31 175.157 176.270 -1.113 1 1 293 . 4 1 1 A 31 31 GLU CA C 31 56.846 59.121 -2.275 1 1 294 . 4 1 1 A 31 31 GLU CB C 31 30.113 29.563 0.550 1 1 296 . 4 1 1 A 31 31 GLU N N 31 120.151 118.745 1.406 1 1 297 . 4 1 1 A 32 32 TYR H H 32 7.714 7.268 0.446 1 1 298 . 4 1 1 A 32 32 TYR HA H 32 4.407 5.099 -0.692 1 1 302 . 4 1 1 A 32 32 TYR C C 32 173.544 174.181 -0.637 1 1 303 . 4 1 1 A 32 32 TYR CA C 32 58.368 55.637 2.731 1 1 304 . 4 1 1 A 32 32 TYR CB C 32 38.614 41.217 -2.603 1 1 305 . 4 1 1 A 32 32 TYR N N 32 118.548 117.046 1.502 1 1 306 . 4 1 1 A 33 33 VAL H H 33 7.764 8.639 -0.875 1 1 307 . 4 1 1 A 33 33 VAL HA H 33 4.048 4.581 -0.533 1 1 315 . 4 1 1 A 33 33 VAL CA C 33 58.575 59.646 -1.071 1 1 316 . 4 1 1 A 33 33 VAL CB C 33 33.600 32.800 0.800 1 1 317 . 4 1 1 A 33 33 VAL N N 33 125.992 118.972 7.020 1 1 318 . 4 1 1 A 34 34 PRO HA H 34 4.215 4.580 -0.365 1 1 320 . 4 1 1 A 34 34 PRO C C 34 175.627 176.069 -0.442 1 1 321 . 4 1 1 A 34 34 PRO CA C 34 61.655 62.590 -0.935 1 1 322 . 4 1 1 A 34 34 PRO CB C 34 31.965 32.412 -0.447 1 1 325 . 4 1 1 A 35 35 ALA H H 35 8.503 8.250 0.253 1 1 326 . 4 1 1 A 35 35 ALA HA H 35 4.190 4.310 -0.120 1 1 330 . 4 1 1 A 35 35 ALA C C 35 178.295 176.066 2.229 1 1 331 . 4 1 1 A 35 35 ALA CA C 35 54.499 51.320 3.179 1 1 332 . 4 1 1 A 35 35 ALA CB C 35 18.235 17.507 0.728 1 1 333 . 4 1 1 A 35 35 ALA N N 35 123.063 123.613 -0.550 1 1 334 . 4 1 1 A 36 36 VAL H H 36 8.032 7.754 0.278 1 1 335 . 4 1 1 A 36 36 VAL HA H 36 4.258 4.647 -0.389 1 1 340 . 4 1 1 A 36 36 VAL CA C 36 60.200 59.811 0.389 1 1 341 . 4 1 1 A 36 36 VAL CB C 36 29.879 35.463 -5.584 1 1 342 . 4 1 1 A 36 36 VAL N N 36 116.770 120.493 -3.723 1 1 344 . 4 1 1 A 37 37 PHE C C 37 174.502 175.318 -0.816 1 1 345 . 4 1 1 A 37 37 PHE CA C 37 56.175 57.160 -0.985 1 1 346 . 4 1 1 A 37 37 PHE CB C 37 40.231 39.890 0.341 1 1 347 . 4 1 1 A 38 38 ASP H H 38 7.602 7.609 -0.007 1 1 348 . 4 1 1 A 38 38 ASP HA H 38 4.343 4.502 -0.159 1 1 351 . 4 1 1 A 38 38 ASP C C 38 174.386 175.937 -1.551 1 1 352 . 4 1 1 A 38 38 ASP CA C 38 54.323 54.299 0.024 1 1 353 . 4 1 1 A 38 38 ASP CB C 38 40.815 41.088 -0.273 1 1 354 . 4 1 1 A 38 38 ASP N N 38 125.774 120.244 5.530 1 1 355 . 4 1 1 A 39 39 ASN H H 39 7.917 8.386 -0.469 1 1 356 . 4 1 1 A 39 39 ASN HA H 39 4.303 4.470 -0.167 1 1 360 . 4 1 1 A 39 39 ASN C C 39 173.897 174.644 -0.747 1 1 361 . 4 1 1 A 39 39 ASN CA C 39 54.317 53.795 0.522 1 1 362 . 4 1 1 A 39 39 ASN CB C 39 38.180 38.834 -0.654 1 1 363 . 4 1 1 A 39 39 ASN N N 39 117.429 120.302 -2.873 1 1 365 . 4 1 1 A 40 40 TYR H H 40 7.726 8.949 -1.223 1 1 366 . 4 1 1 A 40 40 TYR HA H 40 4.513 5.185 -0.672 1 1 370 . 4 1 1 A 40 40 TYR C C 40 172.772 174.718 -1.946 1 1 371 . 4 1 1 A 40 40 TYR CA C 40 57.335 56.581 0.754 1 1 372 . 4 1 1 A 40 40 TYR CB C 40 42.956 41.453 1.503 1 1 373 . 4 1 1 A 40 40 TYR N N 40 122.998 120.697 2.301 1 1 374 . 4 1 1 A 41 41 ALA H H 41 7.651 9.024 -1.373 1 1 375 . 4 1 1 A 41 41 ALA HA H 41 5.636 5.342 0.294 1 1 379 . 4 1 1 A 41 41 ALA C C 41 175.778 176.172 -0.394 1 1 380 . 4 1 1 A 41 41 ALA CA C 41 50.456 50.325 0.131 1 1 381 . 4 1 1 A 41 41 ALA CB C 41 20.492 21.092 -0.600 1 1 382 . 4 1 1 A 41 41 ALA N N 41 127.028 126.305 0.723 1 1 383 . 4 1 1 A 42 42 VAL H H 42 8.781 8.617 0.164 1 1 384 . 4 1 1 A 42 42 VAL HA H 42 4.564 4.889 -0.325 1 1 389 . 4 1 1 A 42 42 VAL C C 42 173.852 175.248 -1.396 1 1 390 . 4 1 1 A 42 42 VAL CA C 42 59.278 60.441 -1.163 1 1 391 . 4 1 1 A 42 42 VAL CB C 42 35.342 35.772 -0.430 1 1 393 . 4 1 1 A 42 42 VAL N N 42 117.471 122.700 -5.229 1 1 394 . 4 1 1 A 43 43 THR H H 43 8.566 8.784 -0.218 1 1 395 . 4 1 1 A 43 43 THR HA H 43 5.124 5.083 0.041 1 1 400 . 4 1 1 A 43 43 THR C C 43 174.210 174.636 -0.426 1 1 401 . 4 1 1 A 43 43 THR CA C 43 62.434 60.575 1.859 1 1 402 . 4 1 1 A 43 43 THR CB C 43 69.296 70.514 -1.218 1 1 404 . 4 1 1 A 43 43 THR N N 43 120.850 119.025 1.825 1 1 405 . 4 1 1 A 44 44 VAL H H 44 9.442 9.244 0.198 1 1 406 . 4 1 1 A 44 44 VAL HA H 44 4.367 5.277 -0.910 1 1 411 . 4 1 1 A 44 44 VAL C C 44 174.061 174.501 -0.440 1 1 412 . 4 1 1 A 44 44 VAL CA C 44 60.639 58.722 1.917 1 1 413 . 4 1 1 A 44 44 VAL CB C 44 35.053 35.837 -0.784 1 1 415 . 4 1 1 A 44 44 VAL N N 44 127.764 117.587 10.177 1 1 416 . 4 1 1 A 45 45 MET H H 45 8.513 8.923 -0.410 1 1 417 . 4 1 1 A 45 45 MET HA H 45 5.272 5.720 -0.448 1 1 421 . 4 1 1 A 45 45 MET C C 45 176.395 175.058 1.337 1 1 422 . 4 1 1 A 45 45 MET CA C 45 53.264 54.164 -0.900 1 1 423 . 4 1 1 A 45 45 MET CB C 45 31.692 37.056 -5.364 1 1 424 . 4 1 1 A 45 45 MET N N 45 123.063 121.391 1.672 1 1 425 . 4 1 1 A 46 46 ILE H H 46 9.103 8.524 0.579 1 1 426 . 4 1 1 A 46 46 ILE HA H 46 4.382 4.768 -0.386 1 1 434 . 4 1 1 A 46 46 ILE C C 46 177.661 175.515 2.146 1 1 435 . 4 1 1 A 46 46 ILE CA C 46 59.755 58.907 0.848 1 1 436 . 4 1 1 A 46 46 ILE CB C 46 38.913 41.124 -2.211 1 1 440 . 4 1 1 A 46 46 ILE N N 46 125.267 119.333 5.934 1 1 441 . 4 1 1 A 47 47 GLY H H 47 9.385 9.282 0.103 1 1 442 . 4 1 1 A 47 47 GLY HA2 H 47 4.755 3.899 0.856 1 1 443 . 4 1 1 A 47 47 GLY HA3 H 47 3.851 3.905 -0.054 1 1 444 . 4 1 1 A 47 47 GLY C C 47 175.195 175.362 -0.167 1 1 445 . 4 1 1 A 47 47 GLY CA C 47 47.015 46.788 0.227 1 1 446 . 4 1 1 A 47 47 GLY N N 47 119.278 113.243 6.035 1 1 447 . 4 1 1 A 48 48 GLY H H 48 8.606 8.775 -0.169 1 1 448 . 4 1 1 A 48 48 GLY HA2 H 48 4.140 3.955 0.185 1 1 449 . 4 1 1 A 48 48 GLY HA3 H 48 3.623 3.962 -0.339 1 1 450 . 4 1 1 A 48 48 GLY C C 48 172.844 173.822 -0.978 1 1 451 . 4 1 1 A 48 48 GLY CA C 48 44.889 45.469 -0.580 1 1 452 . 4 1 1 A 48 48 GLY N N 48 104.656 108.074 -3.418 1 1 453 . 4 1 1 A 49 49 GLU H H 49 7.722 10.022 -2.300 1 1 454 . 4 1 1 A 49 49 GLU HA H 49 4.182 4.860 -0.678 1 1 457 . 4 1 1 A 49 49 GLU CA C 49 52.336 53.296 -0.960 1 1 458 . 4 1 1 A 49 49 GLU CB C 49 31.160 30.603 0.557 1 1 459 . 4 1 1 A 49 49 GLU N N 49 120.543 121.514 -0.971 1 1 460 . 4 1 1 A 50 50 PRO HA H 50 4.977 4.918 0.059 1 1 462 . 4 1 1 A 50 50 PRO C C 50 177.922 175.717 2.205 1 1 463 . 4 1 1 A 50 50 PRO CA C 50 62.080 63.035 -0.955 1 1 464 . 4 1 1 A 50 50 PRO CB C 50 32.147 32.261 -0.114 1 1 465 . 4 1 1 A 51 51 TYR H H 51 9.148 8.871 0.277 1 1 466 . 4 1 1 A 51 51 TYR HA H 51 4.683 5.201 -0.518 1 1 470 . 4 1 1 A 51 51 TYR C C 51 176.400 174.325 2.075 1 1 471 . 4 1 1 A 51 51 TYR CA C 51 57.344 56.500 0.844 1 1 472 . 4 1 1 A 51 51 TYR CB C 51 41.669 43.526 -1.857 1 1 473 . 4 1 1 A 51 51 TYR N N 51 121.300 125.519 -4.219 1 1 474 . 4 1 1 A 52 52 THR H H 52 8.889 8.865 0.024 1 1 475 . 4 1 1 A 52 52 THR HA H 52 4.113 5.151 -1.038 1 1 477 . 4 1 1 A 52 52 THR C C 52 172.149 172.733 -0.584 1 1 478 . 4 1 1 A 52 52 THR CA C 52 62.400 61.331 1.069 1 1 479 . 4 1 1 A 52 52 THR CB C 52 69.447 71.130 -1.683 1 1 481 . 4 1 1 A 52 52 THR N N 52 119.482 115.816 3.666 1 1 482 . 4 1 1 A 53 53 LEU H H 53 9.480 8.883 0.597 1 1 483 . 4 1 1 A 53 53 LEU HA H 53 5.030 5.233 -0.203 1 1 491 . 4 1 1 A 53 53 LEU C C 53 174.307 174.927 -0.620 1 1 492 . 4 1 1 A 53 53 LEU CA C 53 53.375 53.653 -0.278 1 1 493 . 4 1 1 A 53 53 LEU CB C 53 44.216 45.372 -1.156 1 1 496 . 4 1 1 A 53 53 LEU N N 53 131.364 129.026 2.338 1 1 497 . 4 1 1 A 54 54 GLY H H 54 9.749 8.771 0.978 1 1 498 . 4 1 1 A 54 54 GLY HA2 H 54 4.571 4.224 0.347 1 1 499 . 4 1 1 A 54 54 GLY HA3 H 54 3.577 4.252 -0.675 1 1 500 . 4 1 1 A 54 54 GLY C C 54 171.929 171.843 0.086 1 1 501 . 4 1 1 A 54 54 GLY CA C 54 45.195 44.650 0.545 1 1 502 . 4 1 1 A 54 54 GLY N N 54 115.640 114.765 0.875 1 1 503 . 4 1 1 A 55 55 LEU H H 55 8.623 8.795 -0.172 1 1 504 . 4 1 1 A 55 55 LEU HA H 55 5.104 5.017 0.087 1 1 510 . 4 1 1 A 55 55 LEU C C 55 176.000 174.619 1.381 1 1 511 . 4 1 1 A 55 55 LEU CA C 55 54.202 53.318 0.884 1 1 512 . 4 1 1 A 55 55 LEU CB C 55 44.057 44.227 -0.170 1 1 515 . 4 1 1 A 55 55 LEU N N 55 125.141 125.502 -0.361 1 1 516 . 4 1 1 A 56 56 PHE H H 56 8.735 8.750 -0.015 1 1 517 . 4 1 1 A 56 56 PHE HA H 56 4.821 5.229 -0.408 1 1 521 . 4 1 1 A 56 56 PHE C C 56 173.130 173.362 -0.232 1 1 522 . 4 1 1 A 56 56 PHE CA C 56 56.833 56.085 0.748 1 1 523 . 4 1 1 A 56 56 PHE CB C 56 40.776 41.891 -1.115 1 1 524 . 4 1 1 A 56 56 PHE N N 56 122.065 128.483 -6.418 1 1 525 . 4 1 1 A 57 57 ASP H H 57 9.093 8.321 0.772 1 1 526 . 4 1 1 A 57 57 ASP HA H 57 4.877 5.261 -0.384 1 1 529 . 4 1 1 A 57 57 ASP C C 57 175.941 175.480 0.461 1 1 530 . 4 1 1 A 57 57 ASP CA C 57 51.755 52.441 -0.686 1 1 531 . 4 1 1 A 57 57 ASP CB C 57 43.082 44.052 -0.970 1 1 532 . 4 1 1 A 57 57 ASP N N 57 124.050 128.626 -4.576 1 1 533 . 4 1 1 A 58 58 THR H H 58 8.621 8.701 -0.080 1 1 534 . 4 1 1 A 58 58 THR HA H 58 3.905 4.455 -0.550 1 1 535 . 4 1 1 A 58 58 THR C C 58 172.124 174.301 -2.177 1 1 536 . 4 1 1 A 58 58 THR CA C 58 60.335 61.947 -1.612 1 1 537 . 4 1 1 A 58 58 THR CB C 58 74.469 70.171 4.298 1 1 538 . 4 1 1 A 58 58 THR N N 58 109.327 115.802 -6.475 1 1 539 . 4 1 1 A 59 59 ALA H H 59 8.695 8.446 0.249 1 1 540 . 4 1 1 A 59 59 ALA HA H 59 4.565 4.696 -0.131 1 1 544 . 4 1 1 A 59 59 ALA CA C 59 50.475 50.508 -0.033 1 1 545 . 4 1 1 A 59 59 ALA CB C 59 18.224 22.703 -4.479 1 1 546 . 4 1 1 A 59 59 ALA N N 59 123.129 122.538 0.591 1 1 547 . 4 1 1 A 60 60 GLY H H 60 8.630 8.780 -0.150 1 1 548 . 4 1 1 A 60 60 GLY HA2 H 60 4.420 3.822 0.598 1 1 549 . 4 1 1 A 60 60 GLY HA3 H 60 3.902 3.832 0.070 1 1 550 . 4 1 1 A 60 60 GLY C C 60 173.122 174.542 -1.420 1 1 551 . 4 1 1 A 60 60 GLY CA C 60 46.178 47.356 -1.178 1 1 552 . 4 1 1 A 60 60 GLY N N 60 109.449 107.453 1.996 1 1 553 . 4 1 1 A 61 61 GLN H H 61 8.553 8.152 0.401 1 1 554 . 4 1 1 A 61 61 GLN HA H 61 4.492 4.245 0.247 1 1 560 . 4 1 1 A 61 61 GLN C C 61 177.014 174.715 2.299 1 1 561 . 4 1 1 A 61 61 GLN CA C 61 56.895 56.757 0.138 1 1 562 . 4 1 1 A 61 61 GLN CB C 61 28.863 27.996 0.867 1 1 564 . 4 1 1 A 61 61 GLN N N 61 118.471 118.196 0.275 1 1 566 . 4 1 1 A 62 62 GLU H H 62 9.082 8.627 0.455 1 1 567 . 4 1 1 A 62 62 GLU HA H 62 4.292 4.521 -0.229 1 1 570 . 4 1 1 A 62 62 GLU C C 62 178.273 175.880 2.393 1 1 571 . 4 1 1 A 62 62 GLU CA C 62 58.361 57.798 0.563 1 1 572 . 4 1 1 A 62 62 GLU CB C 62 28.579 30.711 -2.132 1 1 574 . 4 1 1 A 62 62 GLU N N 62 122.087 126.560 -4.473 1 1 575 . 4 1 1 A 63 63 ASP H H 63 8.636 8.617 0.019 1 1 576 . 4 1 1 A 63 63 ASP HA H 63 4.348 4.469 -0.121 1 1 579 . 4 1 1 A 63 63 ASP C C 63 176.712 175.924 0.788 1 1 580 . 4 1 1 A 63 63 ASP CA C 63 55.587 54.592 0.995 1 1 581 . 4 1 1 A 63 63 ASP CB C 63 39.571 39.249 0.322 1 1 582 . 4 1 1 A 63 63 ASP N N 63 117.009 119.692 -2.683 1 1 583 . 4 1 1 A 64 64 TYR H H 64 8.061 7.741 0.320 1 1 584 . 4 1 1 A 64 64 TYR HA H 64 4.609 4.637 -0.028 1 1 587 . 4 1 1 A 64 64 TYR C C 64 176.254 174.336 1.918 1 1 588 . 4 1 1 A 64 64 TYR CA C 64 58.231 57.808 0.423 1 1 589 . 4 1 1 A 64 64 TYR CB C 64 38.650 38.332 0.318 1 1 590 . 4 1 1 A 64 64 TYR N N 64 117.063 118.708 -1.645 1 1 591 . 4 1 1 A 65 65 ASP H H 65 8.064 8.221 -0.157 1 1 592 . 4 1 1 A 65 65 ASP HA H 65 4.439 4.212 0.227 1 1 594 . 4 1 1 A 65 65 ASP C C 65 175.163 175.473 -0.310 1 1 595 . 4 1 1 A 65 65 ASP CA C 65 57.971 55.594 2.377 1 1 596 . 4 1 1 A 65 65 ASP N N 65 122.196 116.497 5.699 1 1 597 . 4 1 1 A 66 66 ARG H H 66 8.537 8.494 0.043 1 1 598 . 4 1 1 A 66 66 ARG HA H 66 4.345 3.961 0.384 1 1 599 . 4 1 1 A 66 66 ARG C C 66 175.009 175.011 -0.002 1 1 600 . 4 1 1 A 66 66 ARG CA C 66 56.217 56.777 -0.560 1 1 601 . 4 1 1 A 66 66 ARG N N 66 122.224 110.251 11.973 1 1 602 . 4 1 1 A 67 67 LEU H H 67 8.336 8.068 0.268 1 1 603 . 4 1 1 A 67 67 LEU HA H 67 4.037 4.362 -0.325 1 1 604 . 4 1 1 A 67 67 LEU CA C 67 61.694 55.531 6.163 1 1 605 . 4 1 1 A 67 67 LEU N N 67 117.734 124.299 -6.565 1 1 607 . 4 1 1 A 69 69 PRO C C 69 178.122 176.872 1.250 1 1 608 . 4 1 1 A 69 69 PRO CA C 69 63.575 65.467 -1.892 1 1 611 . 4 1 1 A 70 70 LEU H H 70 7.470 8.018 -0.548 1 1 612 . 4 1 1 A 70 70 LEU HA H 70 4.031 4.275 -0.244 1 1 621 . 4 1 1 A 70 70 LEU C C 70 178.756 175.321 3.435 1 1 622 . 4 1 1 A 70 70 LEU CA C 70 56.944 53.689 3.255 1 1 623 . 4 1 1 A 70 70 LEU CB C 70 40.002 41.628 -1.626 1 1 626 . 4 1 1 A 70 70 LEU N N 70 118.335 117.949 0.386 1 1 627 . 4 1 1 A 71 71 SER H H 71 7.882 7.305 0.577 1 1 628 . 4 1 1 A 71 71 SER HA H 71 4.461 5.065 -0.604 1 1 630 . 4 1 1 A 71 71 SER C C 71 179.200 172.312 6.888 1 1 631 . 4 1 1 A 71 71 SER CA C 71 59.710 57.053 2.657 1 1 632 . 4 1 1 A 71 71 SER CB C 71 63.841 65.924 -2.083 1 1 633 . 4 1 1 A 71 71 SER N N 71 111.784 116.248 -4.464 1 1 634 . 4 1 1 A 72 72 TYR H H 72 7.362 8.593 -1.231 1 1 635 . 4 1 1 A 72 72 TYR CA C 72 56.002 55.167 0.835 1 1 636 . 4 1 1 A 72 72 TYR CB C 72 35.144 38.447 -3.303 1 1 637 . 4 1 1 A 72 72 TYR N N 72 119.959 123.104 -3.145 1 1 638 . 4 1 1 A 73 73 PRO HA H 73 4.231 4.562 -0.331 1 1 639 . 4 1 1 A 73 73 PRO C C 73 176.096 176.557 -0.461 1 1 640 . 4 1 1 A 73 73 PRO CA C 73 66.055 65.083 0.972 1 1 641 . 4 1 1 A 73 73 PRO CB C 73 35.726 31.891 3.835 1 1 642 . 4 1 1 A 74 74 GLN H H 74 8.995 7.737 1.258 1 1 643 . 4 1 1 A 74 74 GLN HA H 74 3.790 5.025 -1.235 1 1 647 . 4 1 1 A 74 74 GLN C C 74 174.686 174.172 0.514 1 1 648 . 4 1 1 A 74 74 GLN CA C 74 57.416 54.933 2.483 1 1 649 . 4 1 1 A 74 74 GLN CB C 74 25.352 31.980 -6.628 1 1 651 . 4 1 1 A 74 74 GLN N N 74 114.768 115.854 -1.086 1 1 653 . 4 1 1 A 75 75 THR H H 75 7.504 8.894 -1.390 1 1 654 . 4 1 1 A 75 75 THR HA H 75 3.172 4.969 -1.797 1 1 659 . 4 1 1 A 75 75 THR C C 75 173.589 174.923 -1.334 1 1 660 . 4 1 1 A 75 75 THR CA C 75 67.162 59.378 7.784 1 1 661 . 4 1 1 A 75 75 THR CB C 75 61.122 71.851 -10.729 1 1 663 . 4 1 1 A 75 75 THR N N 75 116.725 116.747 -0.022 1 1 664 . 4 1 1 A 76 76 ASP H H 76 8.865 8.453 0.412 1 1 665 . 4 1 1 A 76 76 ASP HA H 76 4.873 4.545 0.328 1 1 668 . 4 1 1 A 76 76 ASP C C 76 177.600 176.455 1.145 1 1 669 . 4 1 1 A 76 76 ASP CA C 76 56.105 56.989 -0.884 1 1 670 . 4 1 1 A 76 76 ASP CB C 76 44.016 42.486 1.530 1 1 671 . 4 1 1 A 76 76 ASP N N 76 124.192 123.081 1.111 1 1 672 . 4 1 1 A 77 77 VAL H H 77 7.578 7.926 -0.348 1 1 673 . 4 1 1 A 77 77 VAL HA H 77 4.706 4.723 -0.017 1 1 681 . 4 1 1 A 77 77 VAL C C 77 171.266 173.533 -2.267 1 1 682 . 4 1 1 A 77 77 VAL CA C 77 60.346 60.958 -0.612 1 1 683 . 4 1 1 A 77 77 VAL CB C 77 32.362 35.461 -3.099 1 1 685 . 4 1 1 A 77 77 VAL N N 77 116.060 118.146 -2.086 1 1 686 . 4 1 1 A 78 78 PHE H H 78 8.287 8.945 -0.658 1 1 687 . 4 1 1 A 78 78 PHE HA H 78 5.646 5.344 0.302 1 1 690 . 4 1 1 A 78 78 PHE C C 78 175.799 173.516 2.283 1 1 691 . 4 1 1 A 78 78 PHE CA C 78 56.686 55.511 1.175 1 1 692 . 4 1 1 A 78 78 PHE CB C 78 43.413 41.648 1.765 1 1 693 . 4 1 1 A 78 78 PHE N N 78 121.935 128.270 -6.335 1 1 694 . 4 1 1 A 79 79 LEU H H 79 8.937 8.180 0.757 1 1 695 . 4 1 1 A 79 79 LEU HA H 79 4.691 4.953 -0.262 1 1 701 . 4 1 1 A 79 79 LEU C C 79 174.059 175.339 -1.280 1 1 702 . 4 1 1 A 79 79 LEU CA C 79 53.575 53.057 0.518 1 1 703 . 4 1 1 A 79 79 LEU CB C 79 41.184 44.349 -3.165 1 1 706 . 4 1 1 A 79 79 LEU N N 79 119.060 128.095 -9.035 1 1 707 . 4 1 1 A 80 80 VAL H H 80 8.828 8.652 0.176 1 1 708 . 4 1 1 A 80 80 VAL HA H 80 4.138 4.566 -0.428 1 1 716 . 4 1 1 A 80 80 VAL C C 80 174.535 174.409 0.126 1 1 717 . 4 1 1 A 80 80 VAL CA C 80 61.395 60.619 0.776 1 1 718 . 4 1 1 A 80 80 VAL CB C 80 30.602 34.337 -3.735 1 1 721 . 4 1 1 A 80 80 VAL N N 80 124.677 122.992 1.685 1 1 722 . 4 1 1 A 81 81 CYS H H 81 8.795 8.882 -0.087 1 1 723 . 4 1 1 A 81 81 CYS HA H 81 5.758 5.104 0.654 1 1 726 . 4 1 1 A 81 81 CYS C C 81 173.980 173.742 0.238 1 1 727 . 4 1 1 A 81 81 CYS CA C 81 57.821 56.830 0.991 1 1 728 . 4 1 1 A 81 81 CYS CB C 81 30.043 30.262 -0.219 1 1 729 . 4 1 1 A 81 81 CYS N N 81 123.745 126.925 -3.180 1 1 730 . 4 1 1 A 82 82 PHE H H 82 8.873 8.425 0.448 1 1 731 . 4 1 1 A 82 82 PHE HA H 82 4.532 5.424 -0.892 1 1 735 . 4 1 1 A 82 82 PHE C C 82 171.090 171.948 -0.858 1 1 736 . 4 1 1 A 82 82 PHE CA C 82 56.367 55.544 0.823 1 1 737 . 4 1 1 A 82 82 PHE CB C 82 40.091 42.042 -1.951 1 1 738 . 4 1 1 A 82 82 PHE N N 82 117.718 121.972 -4.254 1 1 739 . 4 1 1 A 83 83 SER H H 83 8.038 8.777 -0.739 1 1 740 . 4 1 1 A 83 83 SER HA H 83 5.204 4.744 0.460 1 1 743 . 4 1 1 A 83 83 SER C C 83 178.547 175.221 3.326 1 1 744 . 4 1 1 A 83 83 SER CA C 83 55.000 56.942 -1.942 1 1 745 . 4 1 1 A 83 83 SER CB C 83 63.051 64.545 -1.494 1 1 746 . 4 1 1 A 83 83 SER N N 83 113.246 116.109 -2.863 1 1 747 . 4 1 1 A 84 84 VAL H H 84 8.609 8.609 0.000 1 1 748 . 4 1 1 A 84 84 VAL HA H 84 4.261 4.478 -0.217 1 1 756 . 4 1 1 A 84 84 VAL C C 84 175.783 176.848 -1.065 1 1 757 . 4 1 1 A 84 84 VAL CA C 84 63.745 63.330 0.415 1 1 758 . 4 1 1 A 84 84 VAL CB C 84 29.811 32.584 -2.773 1 1 760 . 4 1 1 A 84 84 VAL N N 84 120.609 126.505 -5.896 1 1 761 . 4 1 1 A 85 85 VAL H H 85 7.653 7.037 0.616 1 1 762 . 4 1 1 A 85 85 VAL HA H 85 4.508 4.291 0.217 1 1 767 . 4 1 1 A 85 85 VAL C C 85 173.401 175.893 -2.492 1 1 768 . 4 1 1 A 85 85 VAL CA C 85 59.998 63.154 -3.156 1 1 769 . 4 1 1 A 85 85 VAL CB C 85 29.718 32.286 -2.568 1 1 772 . 4 1 1 A 85 85 VAL N N 85 107.920 115.625 -7.705 1 1 773 . 4 1 1 A 86 86 SER H H 86 7.792 7.966 -0.174 1 1 774 . 4 1 1 A 86 86 SER HA H 86 5.200 4.714 0.486 1 1 777 . 4 1 1 A 86 86 SER CA C 86 53.848 56.304 -2.456 1 1 778 . 4 1 1 A 86 86 SER CB C 86 62.720 64.102 -1.382 1 1 779 . 4 1 1 A 86 86 SER N N 86 112.608 118.572 -5.964 1 1 780 . 4 1 1 A 87 87 PRO C C 87 178.275 179.048 -0.773 1 1 781 . 4 1 1 A 87 87 PRO CA C 87 65.655 65.414 0.241 1 1 782 . 4 1 1 A 87 87 PRO CB C 87 31.961 31.856 0.105 1 1 783 . 4 1 1 A 88 88 SER H H 88 8.928 8.366 0.562 1 1 784 . 4 1 1 A 88 88 SER HA H 88 4.783 4.244 0.539 1 1 787 . 4 1 1 A 88 88 SER C C 88 176.192 176.660 -0.468 1 1 788 . 4 1 1 A 88 88 SER CA C 88 61.630 61.480 0.150 1 1 789 . 4 1 1 A 88 88 SER CB C 88 71.811 62.845 8.966 1 1 790 . 4 1 1 A 88 88 SER N N 88 113.475 113.335 0.140 1 1 791 . 4 1 1 A 89 89 SER H H 89 8.022 8.207 -0.185 1 1 792 . 4 1 1 A 89 89 SER HA H 89 5.047 4.248 0.799 1 1 795 . 4 1 1 A 89 89 SER C C 89 176.417 176.373 0.044 1 1 796 . 4 1 1 A 89 89 SER CA C 89 61.352 61.538 -0.186 1 1 797 . 4 1 1 A 89 89 SER CB C 89 63.930 63.218 0.712 1 1 798 . 4 1 1 A 89 89 SER N N 89 120.789 117.965 2.824 1 1 799 . 4 1 1 A 90 90 PHE H H 90 7.454 8.358 -0.904 1 1 800 . 4 1 1 A 90 90 PHE HA H 90 3.967 4.061 -0.094 1 1 804 . 4 1 1 A 90 90 PHE C C 90 177.387 178.059 -0.672 1 1 805 . 4 1 1 A 90 90 PHE CA C 90 59.945 60.780 -0.835 1 1 806 . 4 1 1 A 90 90 PHE CB C 90 39.365 39.152 0.213 1 1 807 . 4 1 1 A 90 90 PHE N N 90 124.950 122.951 1.999 1 1 808 . 4 1 1 A 91 91 GLU H H 91 8.245 8.116 0.129 1 1 809 . 4 1 1 A 91 91 GLU HA H 91 3.921 4.029 -0.108 1 1 811 . 4 1 1 A 91 91 GLU C C 91 179.695 179.346 0.349 1 1 812 . 4 1 1 A 91 91 GLU CA C 91 59.102 59.676 -0.574 1 1 813 . 4 1 1 A 91 91 GLU CB C 91 28.437 29.542 -1.105 1 1 815 . 4 1 1 A 91 91 GLU N N 91 119.953 117.962 1.991 1 1 816 . 4 1 1 A 92 92 ASN H H 92 8.106 8.353 -0.247 1 1 817 . 4 1 1 A 92 92 ASN HA H 92 4.760 4.440 0.320 1 1 821 . 4 1 1 A 92 92 ASN C C 92 178.593 177.826 0.767 1 1 822 . 4 1 1 A 92 92 ASN CA C 92 54.635 56.554 -1.919 1 1 823 . 4 1 1 A 92 92 ASN CB C 92 37.879 38.465 -0.586 1 1 824 . 4 1 1 A 92 92 ASN N N 92 114.315 117.921 -3.606 1 1 826 . 4 1 1 A 93 93 VAL H H 93 7.883 8.039 -0.156 1 1 827 . 4 1 1 A 93 93 VAL HA H 93 3.738 3.712 0.026 1 1 835 . 4 1 1 A 93 93 VAL C C 93 174.932 178.462 -3.530 1 1 836 . 4 1 1 A 93 93 VAL CA C 93 68.395 67.020 1.375 1 1 837 . 4 1 1 A 93 93 VAL CB C 93 30.596 31.204 -0.608 1 1 839 . 4 1 1 A 93 93 VAL N N 93 124.067 120.655 3.412 1 1 840 . 4 1 1 A 94 94 LYS H H 94 6.590 7.755 -1.165 1 1 841 . 4 1 1 A 94 94 LYS HA H 94 3.902 4.053 -0.151 1 1 846 . 4 1 1 A 94 94 LYS C C 94 176.885 178.281 -1.396 1 1 847 . 4 1 1 A 94 94 LYS CA C 94 58.135 58.989 -0.854 1 1 848 . 4 1 1 A 94 94 LYS CB C 94 33.163 32.399 0.764 1 1 851 . 4 1 1 A 94 94 LYS N N 94 115.269 119.817 -4.548 1 1 852 . 4 1 1 A 95 95 GLU H H 95 7.719 8.434 -0.715 1 1 853 . 4 1 1 A 95 95 GLU HA H 95 4.089 4.091 -0.002 1 1 857 . 4 1 1 A 95 95 GLU C C 95 176.252 178.277 -2.025 1 1 858 . 4 1 1 A 95 95 GLU CA C 95 57.564 58.785 -1.221 1 1 859 . 4 1 1 A 95 95 GLU CB C 95 30.353 29.529 0.824 1 1 861 . 4 1 1 A 95 95 GLU N N 95 112.466 119.149 -6.683 1 1 862 . 4 1 1 A 96 96 LYS H H 96 8.063 7.830 0.233 1 1 863 . 4 1 1 A 96 96 LYS HA H 96 4.250 4.349 -0.099 1 1 867 . 4 1 1 A 96 96 LYS C C 96 177.781 178.558 -0.777 1 1 868 . 4 1 1 A 96 96 LYS CA C 96 57.343 57.743 -0.400 1 1 869 . 4 1 1 A 96 96 LYS CB C 96 35.190 34.068 1.122 1 1 873 . 4 1 1 A 96 96 LYS N N 96 115.613 118.759 -3.146 1 1 874 . 4 1 1 A 97 97 TRP H H 97 7.786 8.032 -0.246 1 1 875 . 4 1 1 A 97 97 TRP HA H 97 4.390 4.485 -0.095 1 1 879 . 4 1 1 A 97 97 TRP C C 97 178.500 179.052 -0.552 1 1 880 . 4 1 1 A 97 97 TRP CA C 97 60.831 60.214 0.617 1 1 881 . 4 1 1 A 97 97 TRP CB C 97 30.818 29.384 1.434 1 1 882 . 4 1 1 A 97 97 TRP N N 97 119.643 120.657 -1.014 1 1 884 . 4 1 1 A 98 98 VAL H H 98 8.604 7.965 0.639 1 1 885 . 4 1 1 A 98 98 VAL HA H 98 3.542 3.660 -0.118 1 1 890 . 4 1 1 A 98 98 VAL CA C 98 68.434 67.579 0.855 1 1 891 . 4 1 1 A 98 98 VAL CB C 98 28.357 29.581 -1.224 1 1 892 . 4 1 1 A 98 98 VAL N N 98 116.894 119.989 -3.095 1 1 893 . 4 1 1 A 99 99 PRO HA H 99 3.932 4.191 -0.259 1 1 895 . 4 1 1 A 99 99 PRO C C 99 177.438 178.722 -1.284 1 1 896 . 4 1 1 A 99 99 PRO CA C 99 66.615 66.094 0.521 1 1 897 . 4 1 1 A 99 99 PRO CB C 99 30.600 30.509 0.091 1 1 899 . 4 1 1 A 100 100 GLU H H 100 7.538 8.237 -0.699 1 1 900 . 4 1 1 A 100 100 GLU HA H 100 4.219 3.555 0.664 1 1 902 . 4 1 1 A 100 100 GLU C C 100 178.891 179.349 -0.458 1 1 903 . 4 1 1 A 100 100 GLU CA C 100 60.795 58.936 1.859 1 1 904 . 4 1 1 A 100 100 GLU CB C 100 29.919 28.918 1.001 1 1 906 . 4 1 1 A 100 100 GLU N N 100 116.622 117.437 -0.815 1 1 907 . 4 1 1 A 101 101 ILE H H 101 8.331 7.673 0.658 1 1 908 . 4 1 1 A 101 101 ILE HA H 101 3.598 4.073 -0.475 1 1 909 . 4 1 1 A 101 101 ILE C C 101 177.812 177.745 0.067 1 1 910 . 4 1 1 A 101 101 ILE CA C 101 66.106 62.769 3.337 1 1 911 . 4 1 1 A 101 101 ILE CB C 101 35.806 37.801 -1.995 1 1 913 . 4 1 1 A 101 101 ILE N N 101 113.806 120.941 -7.135 1 1 914 . 4 1 1 A 102 102 THR H H 102 7.881 7.783 0.098 1 1 915 . 4 1 1 A 102 102 THR HA H 102 3.849 3.920 -0.071 1 1 917 . 4 1 1 A 102 102 THR C C 102 175.953 176.600 -0.647 1 1 918 . 4 1 1 A 102 102 THR CA C 102 64.979 65.244 -0.265 1 1 919 . 4 1 1 A 102 102 THR CB C 102 69.609 68.653 0.956 1 1 920 . 4 1 1 A 102 102 THR N N 102 112.542 115.913 -3.371 1 1 921 . 4 1 1 A 103 103 HIS H H 103 7.598 7.616 -0.018 1 1 922 . 4 1 1 A 103 103 HIS HA H 103 4.217 4.234 -0.017 1 1 924 . 4 1 1 A 103 103 HIS C C 103 176.414 176.753 -0.339 1 1 925 . 4 1 1 A 103 103 HIS CA C 103 58.531 58.906 -0.375 1 1 926 . 4 1 1 A 103 103 HIS CB C 103 28.397 29.328 -0.931 1 1 927 . 4 1 1 A 103 103 HIS N N 103 118.843 119.558 -0.715 1 1 928 . 4 1 1 A 104 104 HIS H H 104 7.405 7.841 -0.436 1 1 929 . 4 1 1 A 104 104 HIS HA H 104 4.164 4.582 -0.418 1 1 932 . 4 1 1 A 104 104 HIS C C 104 176.660 175.270 1.390 1 1 933 . 4 1 1 A 104 104 HIS CA C 104 59.641 55.782 3.859 1 1 934 . 4 1 1 A 104 104 HIS CB C 104 33.363 30.069 3.294 1 1 935 . 4 1 1 A 104 104 HIS N N 104 113.791 114.480 -0.689 1 1 936 . 4 1 1 A 105 105 CYS H H 105 8.530 8.428 0.102 1 1 937 . 4 1 1 A 105 105 CYS HA H 105 5.015 4.343 0.672 1 1 940 . 4 1 1 A 105 105 CYS CA C 105 56.219 61.333 -5.114 1 1 941 . 4 1 1 A 105 105 CYS N N 105 117.178 117.309 -0.131 1 1 942 . 4 1 1 A 106 106 PRO HA H 106 4.477 4.598 -0.121 1 1 945 . 4 1 1 A 106 106 PRO C C 106 177.961 177.434 0.527 1 1 946 . 4 1 1 A 106 106 PRO CA C 106 64.735 63.888 0.847 1 1 947 . 4 1 1 A 106 106 PRO CB C 106 31.961 32.391 -0.430 1 1 949 . 4 1 1 A 107 107 LYS H H 107 8.769 8.706 0.063 1 1 950 . 4 1 1 A 107 107 LYS HA H 107 4.771 4.075 0.696 1 1 955 . 4 1 1 A 107 107 LYS CA C 107 55.895 59.062 -3.167 1 1 956 . 4 1 1 A 107 107 LYS CB C 107 31.160 32.542 -1.382 1 1 957 . 4 1 1 A 107 107 LYS N N 107 116.131 119.705 -3.574 1 1 958 . 4 1 1 A 108 108 THR H H 108 7.586 7.780 -0.194 1 1 959 . 4 1 1 A 108 108 THR N N 108 121.415 112.087 9.328 1 1 960 . 4 1 1 A 109 109 PRO HA H 109 4.529 4.752 -0.223 1 1 963 . 4 1 1 A 109 109 PRO C C 109 174.846 175.500 -0.654 1 1 964 . 4 1 1 A 109 109 PRO CA C 109 62.495 62.769 -0.274 1 1 965 . 4 1 1 A 109 109 PRO CB C 109 33.563 32.875 0.688 1 1 968 . 4 1 1 A 110 110 PHE H H 110 8.165 8.858 -0.693 1 1 969 . 4 1 1 A 110 110 PHE HA H 110 5.929 5.200 0.729 1 1 971 . 4 1 1 A 110 110 PHE C C 110 172.666 173.761 -1.095 1 1 972 . 4 1 1 A 110 110 PHE CA C 110 54.448 56.896 -2.448 1 1 973 . 4 1 1 A 110 110 PHE CB C 110 43.554 41.959 1.595 1 1 974 . 4 1 1 A 110 110 PHE N N 110 112.128 124.035 -11.907 1 1 975 . 4 1 1 A 111 111 LEU H H 111 8.633 8.192 0.441 1 1 976 . 4 1 1 A 111 111 LEU HA H 111 4.694 5.069 -0.375 1 1 979 . 4 1 1 A 111 111 LEU C C 111 175.472 174.543 0.929 1 1 980 . 4 1 1 A 111 111 LEU CA C 111 54.212 53.017 1.195 1 1 981 . 4 1 1 A 111 111 LEU CB C 111 43.831 43.854 -0.023 1 1 984 . 4 1 1 A 111 111 LEU N N 111 119.654 127.719 -8.065 1 1 985 . 4 1 1 A 112 112 LEU H H 112 8.061 8.543 -0.482 1 1 986 . 4 1 1 A 112 112 LEU HA H 112 5.363 5.128 0.235 1 1 992 . 4 1 1 A 112 112 LEU C C 112 173.631 175.055 -1.424 1 1 993 . 4 1 1 A 112 112 LEU CA C 112 53.826 53.585 0.241 1 1 994 . 4 1 1 A 112 112 LEU CB C 112 44.182 44.469 -0.287 1 1 996 . 4 1 1 A 112 112 LEU N N 112 121.946 127.443 -5.497 1 1 997 . 4 1 1 A 113 113 VAL H H 113 9.178 8.645 0.533 1 1 998 . 4 1 1 A 113 113 VAL HA H 113 4.878 4.851 0.027 1 1 1006 . 4 1 1 A 113 113 VAL C C 113 174.300 174.988 -0.688 1 1 1007 . 4 1 1 A 113 113 VAL CA C 113 59.695 60.599 -0.904 1 1 1008 . 4 1 1 A 113 113 VAL CB C 113 33.323 34.781 -1.458 1 1 1011 . 4 1 1 A 113 113 VAL N N 113 125.807 128.196 -2.389 1 1 1012 . 4 1 1 A 114 114 GLY H H 114 8.731 9.067 -0.336 1 1 1013 . 4 1 1 A 114 114 GLY HA2 H 114 3.688 3.475 0.213 1 1 1014 . 4 1 1 A 114 114 GLY HA3 H 114 3.270 4.045 -0.775 1 1 1015 . 4 1 1 A 114 114 GLY C C 114 173.360 172.326 1.034 1 1 1016 . 4 1 1 A 114 114 GLY CA C 114 44.195 44.569 -0.374 1 1 1017 . 4 1 1 A 114 114 GLY N N 114 115.079 115.224 -0.145 1 1 1018 . 4 1 1 A 115 115 THR H H 115 9.181 7.861 1.320 1 1 1019 . 4 1 1 A 115 115 THR HA H 115 4.969 4.804 0.165 1 1 1024 . 4 1 1 A 115 115 THR C C 115 175.355 174.720 0.635 1 1 1025 . 4 1 1 A 115 115 THR CA C 115 59.375 60.522 -1.147 1 1 1026 . 4 1 1 A 115 115 THR CB C 115 70.530 71.116 -0.586 1 1 1028 . 4 1 1 A 115 115 THR N N 115 115.613 119.487 -3.874 1 1 1029 . 4 1 1 A 116 116 GLN H H 116 9.380 8.796 0.584 1 1 1030 . 4 1 1 A 116 116 GLN HA H 116 3.983 3.927 0.056 1 1 1033 . 4 1 1 A 116 116 GLN C C 116 179.110 175.276 3.834 1 1 1034 . 4 1 1 A 116 116 GLN CA C 116 56.195 57.089 -0.894 1 1 1035 . 4 1 1 A 116 116 GLN CB C 116 23.911 28.245 -4.334 1 1 1037 . 4 1 1 A 116 116 GLN N N 116 108.468 123.585 -15.117 1 1 1038 . 4 1 1 A 117 117 ILE H H 117 7.635 7.638 -0.003 1 1 1039 . 4 1 1 A 117 117 ILE HA H 117 3.814 4.184 -0.370 1 1 1042 . 4 1 1 A 117 117 ILE C C 117 178.002 175.639 2.363 1 1 1043 . 4 1 1 A 117 117 ILE CA C 117 64.828 60.093 4.735 1 1 1044 . 4 1 1 A 117 117 ILE CB C 117 36.327 38.706 -2.379 1 1 1047 . 4 1 1 A 118 118 ASP H H 118 8.732 9.027 -0.295 1 1 1048 . 4 1 1 A 118 118 ASP HA H 118 4.468 4.453 0.015 1 1 1051 . 4 1 1 A 118 118 ASP C C 118 176.888 176.926 -0.038 1 1 1052 . 4 1 1 A 118 118 ASP CA C 118 55.527 56.444 -0.917 1 1 1053 . 4 1 1 A 118 118 ASP CB C 118 40.482 40.401 0.081 1 1 1054 . 4 1 1 A 118 118 ASP N N 118 119.049 121.812 -2.763 1 1 1055 . 4 1 1 A 119 119 LEU H H 119 7.914 9.765 -1.851 1 1 1056 . 4 1 1 A 119 119 LEU HA H 119 4.332 4.109 0.223 1 1 1066 . 4 1 1 A 119 119 LEU C C 119 178.015 178.485 -0.470 1 1 1067 . 4 1 1 A 119 119 LEU CA C 119 55.388 57.557 -2.169 1 1 1068 . 4 1 1 A 119 119 LEU CB C 119 41.573 41.962 -0.389 1 1 1071 . 4 1 1 A 119 119 LEU N N 119 117.783 120.413 -2.630 1 1 1072 . 4 1 1 A 120 120 ARG H H 120 7.256 8.751 -1.495 1 1 1073 . 4 1 1 A 120 120 ARG HA H 120 3.561 4.166 -0.605 1 1 1076 . 4 1 1 A 120 120 ARG C C 120 174.671 176.537 -1.866 1 1 1077 . 4 1 1 A 120 120 ARG CA C 120 60.041 58.009 2.032 1 1 1078 . 4 1 1 A 120 120 ARG CB C 120 30.079 29.453 0.626 1 1 1081 . 4 1 1 A 120 120 ARG N N 120 116.747 116.947 -0.200 1 1 1082 . 4 1 1 A 121 121 ASP H H 121 7.078 8.693 -1.615 1 1 1083 . 4 1 1 A 121 121 ASP HA H 121 4.802 4.771 0.031 1 1 1086 . 4 1 1 A 121 121 ASP C C 121 175.364 173.853 1.511 1 1 1087 . 4 1 1 A 121 121 ASP CA C 121 52.775 53.655 -0.880 1 1 1088 . 4 1 1 A 121 121 ASP CB C 121 41.372 40.013 1.359 1 1 1089 . 4 1 1 A 121 121 ASP N N 121 111.544 118.675 -7.131 1 1 1090 . 4 1 1 A 122 122 ASP H H 122 7.246 7.720 -0.474 1 1 1091 . 4 1 1 A 122 122 ASP HA H 122 4.983 5.179 -0.196 1 1 1094 . 4 1 1 A 122 122 ASP CA C 122 51.575 50.764 0.811 1 1 1095 . 4 1 1 A 122 122 ASP CB C 122 43.576 42.699 0.877 1 1 1096 . 4 1 1 A 122 122 ASP N N 122 122.169 120.523 1.646 1 1 1097 . 4 1 1 A 123 123 PRO HA H 123 4.132 4.389 -0.257 1 1 1100 . 4 1 1 A 123 123 PRO C C 123 178.982 178.254 0.728 1 1 1101 . 4 1 1 A 123 123 PRO CA C 123 65.824 65.312 0.512 1 1 1102 . 4 1 1 A 123 123 PRO CB C 123 32.041 31.878 0.163 1 1 1104 . 4 1 1 A 124 124 SER H H 124 8.333 8.371 -0.038 1 1 1105 . 4 1 1 A 124 124 SER HA H 124 4.762 4.211 0.551 1 1 1108 . 4 1 1 A 124 124 SER C C 124 176.716 176.526 0.190 1 1 1109 . 4 1 1 A 124 124 SER CA C 124 62.073 61.640 0.433 1 1 1110 . 4 1 1 A 124 124 SER CB C 124 62.373 63.069 -0.696 1 1 1111 . 4 1 1 A 124 124 SER N N 124 112.482 113.712 -1.230 1 1 1112 . 4 1 1 A 125 125 THR H H 125 7.921 7.833 0.088 1 1 1113 . 4 1 1 A 125 125 THR HA H 125 4.658 3.969 0.689 1 1 1118 . 4 1 1 A 125 125 THR C C 125 175.789 176.469 -0.680 1 1 1119 . 4 1 1 A 125 125 THR CA C 125 67.686 66.898 0.788 1 1 1121 . 4 1 1 A 125 125 THR N N 125 121.820 117.840 3.980 1 1 1122 . 4 1 1 A 126 126 ILE H H 126 8.234 8.127 0.107 1 1 1123 . 4 1 1 A 126 126 ILE HA H 126 3.550 3.732 -0.182 1 1 1126 . 4 1 1 A 126 126 ILE C C 126 179.057 178.503 0.554 1 1 1127 . 4 1 1 A 126 126 ILE CA C 126 65.032 65.275 -0.243 1 1 1128 . 4 1 1 A 126 126 ILE CB C 126 37.064 37.539 -0.475 1 1 1132 . 4 1 1 A 126 126 ILE N N 126 121.486 120.984 0.502 1 1 1133 . 4 1 1 A 127 127 GLU H H 127 8.240 8.569 -0.329 1 1 1134 . 4 1 1 A 127 127 GLU HA H 127 4.165 3.965 0.200 1 1 1136 . 4 1 1 A 127 127 GLU C C 127 177.025 179.035 -2.010 1 1 1137 . 4 1 1 A 127 127 GLU CA C 127 59.326 59.727 -0.401 1 1 1138 . 4 1 1 A 127 127 GLU CB C 127 29.330 29.089 0.241 1 1 1140 . 4 1 1 A 127 127 GLU N N 127 120.249 121.469 -1.220 1 1 1141 . 4 1 1 A 128 128 LYS H H 128 7.919 7.525 0.394 1 1 1142 . 4 1 1 A 128 128 LYS HA H 128 3.978 4.094 -0.116 1 1 1146 . 4 1 1 A 128 128 LYS C C 128 179.838 179.302 0.536 1 1 1147 . 4 1 1 A 128 128 LYS CA C 128 59.938 59.445 0.493 1 1 1148 . 4 1 1 A 128 128 LYS CB C 128 31.691 32.584 -0.893 1 1 1152 . 4 1 1 A 128 128 LYS N N 128 120.679 119.021 1.658 1 1 1153 . 4 1 1 A 129 129 LEU H H 129 8.142 8.130 0.012 1 1 1154 . 4 1 1 A 129 129 LEU HA H 129 4.128 4.168 -0.040 1 1 1160 . 4 1 1 A 129 129 LEU C C 129 179.701 178.911 0.790 1 1 1161 . 4 1 1 A 129 129 LEU CA C 129 57.904 57.509 0.395 1 1 1162 . 4 1 1 A 129 129 LEU CB C 129 41.674 40.719 0.955 1 1 1165 . 4 1 1 A 129 129 LEU N N 129 118.553 119.192 -0.639 1 1 1166 . 4 1 1 A 130 130 ALA H H 130 8.493 8.721 -0.228 1 1 1167 . 4 1 1 A 130 130 ALA HA H 130 4.286 3.957 0.329 1 1 1171 . 4 1 1 A 130 130 ALA C C 130 182.027 179.943 2.084 1 1 1172 . 4 1 1 A 130 130 ALA CA C 130 55.358 55.462 -0.104 1 1 1173 . 4 1 1 A 130 130 ALA CB C 130 17.069 18.293 -1.224 1 1 1174 . 4 1 1 A 130 130 ALA N N 130 122.578 121.792 0.786 1 1 1175 . 4 1 1 A 131 131 LYS H H 131 8.065 7.828 0.237 1 1 1176 . 4 1 1 A 131 131 LYS HA H 131 4.124 4.050 0.074 1 1 1180 . 4 1 1 A 131 131 LYS C C 131 177.085 178.359 -1.274 1 1 1181 . 4 1 1 A 131 131 LYS CA C 131 59.093 59.311 -0.218 1 1 1182 . 4 1 1 A 131 131 LYS CB C 131 31.782 32.362 -0.580 1 1 1186 . 4 1 1 A 131 131 LYS N N 131 120.347 117.851 2.496 1 1 1187 . 4 1 1 A 132 132 ASN H H 132 7.414 7.866 -0.452 1 1 1188 . 4 1 1 A 132 132 ASN HA H 132 4.983 4.826 0.157 1 1 1193 . 4 1 1 A 132 132 ASN C C 132 173.584 174.280 -0.696 1 1 1194 . 4 1 1 A 132 132 ASN CA C 132 52.195 52.812 -0.617 1 1 1195 . 4 1 1 A 132 132 ASN CB C 132 39.210 38.636 0.574 1 1 1196 . 4 1 1 A 132 132 ASN N N 132 115.667 115.017 0.650 1 1 1198 . 4 1 1 A 133 133 LYS H H 133 8.105 8.019 0.086 1 1 1199 . 4 1 1 A 133 133 LYS HA H 133 3.956 3.923 0.033 1 1 1204 . 4 1 1 A 133 133 LYS C C 133 175.311 176.105 -0.794 1 1 1205 . 4 1 1 A 133 133 LYS CA C 133 57.317 57.242 0.075 1 1 1206 . 4 1 1 A 133 133 LYS CB C 133 28.397 29.342 -0.945 1 1 1210 . 4 1 1 A 133 133 LYS N N 133 113.900 115.092 -1.192 1 1 1211 . 4 1 1 A 134 134 GLN H H 134 8.107 8.227 -0.120 1 1 1212 . 4 1 1 A 134 134 GLN HA H 134 4.777 4.386 0.391 1 1 1218 . 4 1 1 A 134 134 GLN C C 134 174.870 176.445 -1.575 1 1 1219 . 4 1 1 A 134 134 GLN CA C 134 53.890 57.219 -3.329 1 1 1220 . 4 1 1 A 134 134 GLN CB C 134 33.095 30.201 2.894 1 1 1222 . 4 1 1 A 134 134 GLN N N 134 116.006 116.902 -0.896 1 1 1224 . 4 1 1 A 135 135 LYS H H 135 7.974 7.957 0.017 1 1 1225 . 4 1 1 A 135 135 LYS CA C 135 54.077 57.494 -3.417 1 1 1226 . 4 1 1 A 135 135 LYS CB C 135 33.433 31.474 1.959 1 1 1227 . 4 1 1 A 135 135 LYS N N 135 118.646 116.485 2.161 1 1 1228 . 4 1 1 A 136 136 PRO HA H 136 4.378 4.532 -0.154 1 1 1232 . 4 1 1 A 136 136 PRO C C 136 174.976 176.002 -1.026 1 1 1233 . 4 1 1 A 136 136 PRO CA C 136 62.255 62.725 -0.470 1 1 1234 . 4 1 1 A 136 136 PRO CB C 136 32.147 31.909 0.238 1 1 1237 . 4 1 1 A 137 137 ILE H H 137 9.147 7.961 1.186 1 1 1238 . 4 1 1 A 137 137 ILE HA H 137 3.918 4.300 -0.382 1 1 1245 . 4 1 1 A 137 137 ILE C C 137 176.126 176.558 -0.432 1 1 1246 . 4 1 1 A 137 137 ILE CA C 137 59.969 60.613 -0.644 1 1 1247 . 4 1 1 A 137 137 ILE CB C 137 36.848 39.375 -2.527 1 1 1248 . 4 1 1 A 137 137 ILE N N 137 122.234 122.608 -0.374 1 1 1249 . 4 1 1 A 138 138 THR H H 138 7.993 8.966 -0.973 1 1 1250 . 4 1 1 A 138 138 THR HA H 138 4.765 4.940 -0.175 1 1 1255 . 4 1 1 A 138 138 THR CA C 138 59.171 59.700 -0.529 1 1 1256 . 4 1 1 A 138 138 THR CB C 138 68.488 68.847 -0.359 1 1 1257 . 4 1 1 A 138 138 THR N N 138 118.389 119.120 -0.731 1 1 1258 . 4 1 1 A 139 139 PRO HA H 139 4.071 4.439 -0.368 1 1 1261 . 4 1 1 A 139 139 PRO C C 139 177.838 179.017 -1.179 1 1 1262 . 4 1 1 A 139 139 PRO CA C 139 65.575 65.190 0.385 1 1 1263 . 4 1 1 A 139 139 PRO CB C 139 31.401 32.158 -0.757 1 1 1265 . 4 1 1 A 140 140 GLU H H 140 8.569 8.261 0.308 1 1 1266 . 4 1 1 A 140 140 GLU HA H 140 3.000 4.065 -1.065 1 1 1270 . 4 1 1 A 140 140 GLU C C 140 179.357 179.391 -0.034 1 1 1271 . 4 1 1 A 140 140 GLU CA C 140 60.137 59.507 0.630 1 1 1272 . 4 1 1 A 140 140 GLU CB C 140 28.357 29.159 -0.802 1 1 1273 . 4 1 1 A 140 140 GLU N N 140 114.648 118.338 -3.690 1 1 1274 . 4 1 1 A 141 141 THR H H 141 7.579 7.743 -0.164 1 1 1275 . 4 1 1 A 141 141 THR HA H 141 3.811 3.874 -0.063 1 1 1280 . 4 1 1 A 141 141 THR C C 141 176.395 176.578 -0.183 1 1 1281 . 4 1 1 A 141 141 THR CA C 141 66.113 66.320 -0.207 1 1 1282 . 4 1 1 A 141 141 THR CB C 141 68.569 68.445 0.124 1 1 1284 . 4 1 1 A 141 141 THR N N 141 118.215 117.650 0.565 1 1 1285 . 4 1 1 A 142 142 ALA H H 142 7.562 7.759 -0.197 1 1 1286 . 4 1 1 A 142 142 ALA HA H 142 3.866 4.221 -0.355 1 1 1290 . 4 1 1 A 142 142 ALA C C 142 178.302 180.153 -1.851 1 1 1291 . 4 1 1 A 142 142 ALA CA C 142 55.332 55.126 0.206 1 1 1292 . 4 1 1 A 142 142 ALA CB C 142 16.606 18.415 -1.809 1 1 1293 . 4 1 1 A 142 142 ALA N N 142 125.491 123.718 1.773 1 1 1294 . 4 1 1 A 143 143 GLU H H 143 8.787 8.221 0.566 1 1 1295 . 4 1 1 A 143 143 GLU HA H 143 3.742 3.722 0.020 1 1 1298 . 4 1 1 A 143 143 GLU C C 143 179.077 178.787 0.290 1 1 1299 . 4 1 1 A 143 143 GLU CA C 143 59.590 58.888 0.702 1 1 1300 . 4 1 1 A 143 143 GLU CB C 143 28.998 28.925 0.073 1 1 1302 . 4 1 1 A 143 143 GLU N N 143 117.991 119.195 -1.204 1 1 1303 . 4 1 1 A 144 144 LYS H H 144 7.313 7.360 -0.047 1 1 1304 . 4 1 1 A 144 144 LYS HA H 144 3.950 3.957 -0.007 1 1 1307 . 4 1 1 A 144 144 LYS C C 144 177.781 179.257 -1.476 1 1 1308 . 4 1 1 A 144 144 LYS CA C 144 59.370 59.632 -0.262 1 1 1309 . 4 1 1 A 144 144 LYS CB C 144 31.718 32.437 -0.719 1 1 1313 . 4 1 1 A 144 144 LYS N N 144 118.815 119.515 -0.700 1 1 1314 . 4 1 1 A 145 145 LEU H H 145 7.326 8.010 -0.684 1 1 1315 . 4 1 1 A 145 145 LEU HA H 145 4.153 4.289 -0.136 1 1 1324 . 4 1 1 A 145 145 LEU C C 145 178.162 178.464 -0.302 1 1 1325 . 4 1 1 A 145 145 LEU CA C 145 57.834 57.751 0.083 1 1 1326 . 4 1 1 A 145 145 LEU CB C 145 40.432 41.005 -0.573 1 1 1329 . 4 1 1 A 145 145 LEU N N 145 119.589 121.550 -1.961 1 1 1330 . 4 1 1 A 146 146 ALA H H 146 8.482 7.610 0.872 1 1 1331 . 4 1 1 A 146 146 ALA HA H 146 3.705 4.042 -0.337 1 1 1335 . 4 1 1 A 146 146 ALA C C 146 178.574 179.471 -0.897 1 1 1336 . 4 1 1 A 146 146 ALA CA C 146 55.543 55.248 0.295 1 1 1337 . 4 1 1 A 146 146 ALA CB C 146 17.663 18.115 -0.452 1 1 1338 . 4 1 1 A 146 146 ALA N N 146 118.809 120.488 -1.679 1 1 1339 . 4 1 1 A 147 147 ARG H H 147 7.714 7.571 0.143 1 1 1340 . 4 1 1 A 147 147 ARG HA H 147 4.175 4.260 -0.085 1 1 1344 . 4 1 1 A 147 147 ARG C C 147 180.165 176.866 3.299 1 1 1345 . 4 1 1 A 147 147 ARG CA C 147 58.995 57.779 1.216 1 1 1346 . 4 1 1 A 147 147 ARG CB C 147 29.657 29.711 -0.054 1 1 1349 . 4 1 1 A 147 147 ARG N N 147 116.011 117.177 -1.166 1 1 1350 . 4 1 1 A 148 148 ASP H H 148 8.461 7.892 0.569 1 1 1351 . 4 1 1 A 148 148 ASP HA H 148 4.324 4.490 -0.166 1 1 1354 . 4 1 1 A 148 148 ASP C C 148 178.284 176.288 1.996 1 1 1355 . 4 1 1 A 148 148 ASP CA C 148 57.501 56.339 1.162 1 1 1356 . 4 1 1 A 148 148 ASP CB C 148 40.172 41.096 -0.924 1 1 1357 . 4 1 1 A 148 148 ASP N N 148 121.913 118.753 3.160 1 1 1358 . 4 1 1 A 149 149 LEU H H 149 8.364 7.130 1.234 1 1 1359 . 4 1 1 A 149 149 LEU HA H 149 4.365 4.518 -0.153 1 1 1368 . 4 1 1 A 149 149 LEU C C 149 174.985 177.053 -2.068 1 1 1369 . 4 1 1 A 149 149 LEU CA C 149 54.315 55.582 -1.267 1 1 1370 . 4 1 1 A 149 149 LEU CB C 149 41.373 42.915 -1.542 1 1 1373 . 4 1 1 A 149 149 LEU N N 149 115.324 116.966 -1.642 1 1 1374 . 4 1 1 A 150 150 LYS H H 150 7.624 7.829 -0.205 1 1 1375 . 4 1 1 A 150 150 LYS HA H 150 3.783 4.558 -0.775 1 1 1379 . 4 1 1 A 150 150 LYS C C 150 177.003 175.292 1.711 1 1 1380 . 4 1 1 A 150 150 LYS CA C 150 57.457 55.038 2.419 1 1 1381 . 4 1 1 A 150 150 LYS CB C 150 27.730 33.072 -5.342 1 1 1385 . 4 1 1 A 150 150 LYS N N 150 111.768 117.871 -6.103 1 1 1386 . 4 1 1 A 151 151 ALA H H 151 8.248 7.354 0.894 1 1 1387 . 4 1 1 A 151 151 ALA HA H 151 2.979 4.377 -1.398 1 1 1391 . 4 1 1 A 151 151 ALA C C 151 177.944 177.359 0.585 1 1 1392 . 4 1 1 A 151 151 ALA CA C 151 51.231 52.805 -1.574 1 1 1393 . 4 1 1 A 151 151 ALA CB C 151 19.707 19.225 0.482 1 1 1394 . 4 1 1 A 151 151 ALA N N 151 119.649 123.040 -3.391 1 1 1395 . 4 1 1 A 152 152 VAL H H 152 8.684 8.829 -0.145 1 1 1396 . 4 1 1 A 152 152 VAL HA H 152 3.478 4.003 -0.525 1 1 1404 . 4 1 1 A 152 152 VAL C C 152 176.367 176.115 0.252 1 1 1405 . 4 1 1 A 152 152 VAL CA C 152 66.127 64.428 1.699 1 1 1406 . 4 1 1 A 152 152 VAL CB C 152 32.285 32.497 -0.212 1 1 1409 . 4 1 1 A 152 152 VAL N N 152 120.805 123.235 -2.430 1 1 1410 . 4 1 1 A 153 153 LYS H H 153 6.865 7.612 -0.747 1 1 1411 . 4 1 1 A 153 153 LYS HA H 153 4.344 4.770 -0.426 1 1 1416 . 4 1 1 A 153 153 LYS C C 153 172.951 174.183 -1.232 1 1 1417 . 4 1 1 A 153 153 LYS CA C 153 55.049 55.666 -0.617 1 1 1418 . 4 1 1 A 153 153 LYS CB C 153 34.332 36.185 -1.853 1 1 1422 . 4 1 1 A 153 153 LYS N N 153 108.179 117.956 -9.777 1 1 1423 . 4 1 1 A 154 154 TYR H H 154 8.606 8.570 0.036 1 1 1424 . 4 1 1 A 154 154 TYR HA H 154 5.761 6.073 -0.312 1 1 1426 . 4 1 1 A 154 154 TYR C C 154 174.216 173.342 0.874 1 1 1427 . 4 1 1 A 154 154 TYR CA C 154 55.910 55.144 0.766 1 1 1428 . 4 1 1 A 154 154 TYR CB C 154 40.457 41.957 -1.500 1 1 1429 . 4 1 1 A 154 154 TYR N N 154 120.249 120.810 -0.561 1 1 1430 . 4 1 1 A 155 155 VAL H H 155 8.271 8.589 -0.318 1 1 1431 . 4 1 1 A 155 155 VAL HA H 155 4.138 4.635 -0.497 1 1 1439 . 4 1 1 A 155 155 VAL C C 155 171.653 173.752 -2.099 1 1 1440 . 4 1 1 A 155 155 VAL CA C 155 58.344 59.389 -1.045 1 1 1441 . 4 1 1 A 155 155 VAL CB C 155 34.645 36.053 -1.408 1 1 1444 . 4 1 1 A 155 155 VAL N N 155 121.448 116.864 4.584 1 1 1445 . 4 1 1 A 156 156 GLU H H 156 8.030 8.661 -0.631 1 1 1446 . 4 1 1 A 156 156 GLU HA H 156 5.393 4.986 0.407 1 1 1449 . 4 1 1 A 156 156 GLU C C 156 175.890 175.614 0.276 1 1 1450 . 4 1 1 A 156 156 GLU CA C 156 53.775 55.001 -1.226 1 1 1451 . 4 1 1 A 156 156 GLU CB C 156 31.521 31.558 -0.037 1 1 1453 . 4 1 1 A 156 156 GLU N N 156 113.147 121.017 -7.870 1 1 1454 . 4 1 1 A 157 157 CYS H H 157 8.838 9.153 -0.315 1 1 1455 . 4 1 1 A 157 157 CYS HA H 157 5.324 5.267 0.057 1 1 1458 . 4 1 1 A 157 157 CYS C C 157 171.554 172.614 -1.060 1 1 1459 . 4 1 1 A 157 157 CYS CA C 157 55.749 57.265 -1.516 1 1 1460 . 4 1 1 A 157 157 CYS CB C 157 32.041 30.082 1.959 1 1 1461 . 4 1 1 A 157 157 CYS N N 157 111.910 123.324 -11.414 1 1 1462 . 4 1 1 A 158 158 SER H H 158 8.277 8.739 -0.462 1 1 1463 . 4 1 1 A 158 158 SER HA H 158 5.211 4.732 0.479 1 1 1466 . 4 1 1 A 158 158 SER C C 158 176.246 175.167 1.079 1 1 1467 . 4 1 1 A 158 158 SER CA C 158 55.892 56.411 -0.519 1 1 1468 . 4 1 1 A 158 158 SER CB C 158 65.035 64.338 0.697 1 1 1469 . 4 1 1 A 158 158 SER N N 158 110.284 119.644 -9.360 1 1 1470 . 4 1 1 A 159 159 ALA H H 159 9.297 8.866 0.431 1 1 1471 . 4 1 1 A 159 159 ALA HA H 159 4.210 3.870 0.340 1 1 1475 . 4 1 1 A 159 159 ALA C C 159 177.030 178.798 -1.768 1 1 1476 . 4 1 1 A 159 159 ALA CA C 159 54.522 54.692 -0.170 1 1 1477 . 4 1 1 A 159 159 ALA CB C 159 18.828 18.209 0.619 1 1 1478 . 4 1 1 A 159 159 ALA N N 159 132.318 130.828 1.490 1 1 1479 . 4 1 1 A 160 160 LEU H H 160 7.361 7.221 0.140 1 1 1480 . 4 1 1 A 160 160 LEU HA H 160 3.307 3.059 0.248 1 1 1485 . 4 1 1 A 160 160 LEU C C 160 177.619 175.479 2.140 1 1 1486 . 4 1 1 A 160 160 LEU CA C 160 57.497 56.968 0.529 1 1 1487 . 4 1 1 A 160 160 LEU CB C 160 43.255 41.669 1.586 1 1 1490 . 4 1 1 A 160 160 LEU N N 160 118.308 118.862 -0.554 1 1 1491 . 4 1 1 A 161 161 THR H H 161 8.109 7.548 0.561 1 1 1492 . 4 1 1 A 161 161 THR HA H 161 4.218 4.838 -0.620 1 1 1497 . 4 1 1 A 161 161 THR C C 161 176.064 174.804 1.260 1 1 1498 . 4 1 1 A 161 161 THR CA C 161 61.435 60.777 0.658 1 1 1499 . 4 1 1 A 161 161 THR CB C 161 69.809 71.520 -1.711 1 1 1501 . 4 1 1 A 161 161 THR N N 161 106.273 111.123 -4.850 1 1 1502 . 4 1 1 A 162 162 GLN H H 162 7.457 9.055 -1.598 1 1 1503 . 4 1 1 A 162 162 GLN HA H 162 3.923 4.183 -0.260 1 1 1509 . 4 1 1 A 162 162 GLN C C 162 174.988 177.056 -2.068 1 1 1510 . 4 1 1 A 162 162 GLN CA C 162 59.015 57.472 1.543 1 1 1511 . 4 1 1 A 162 162 GLN CB C 162 25.425 28.272 -2.847 1 1 1513 . 4 1 1 A 162 162 GLN N N 162 112.744 124.299 -11.555 1 1 1515 . 4 1 1 A 163 163 LYS H H 163 7.831 8.048 -0.217 1 1 1516 . 4 1 1 A 163 163 LYS HA H 163 4.163 4.145 0.018 1 1 1519 . 4 1 1 A 163 163 LYS C C 163 177.322 178.601 -1.279 1 1 1520 . 4 1 1 A 163 163 LYS CA C 163 58.055 58.161 -0.106 1 1 1521 . 4 1 1 A 163 163 LYS CB C 163 32.041 32.568 -0.527 1 1 1525 . 4 1 1 A 163 163 LYS N N 163 124.132 121.477 2.655 1 1 1526 . 4 1 1 A 164 164 GLY H H 164 9.133 8.066 1.067 1 1 1527 . 4 1 1 A 164 164 GLY HA2 H 164 4.293 3.716 0.577 1 1 1528 . 4 1 1 A 164 164 GLY HA3 H 164 3.860 3.722 0.138 1 1 1529 . 4 1 1 A 164 164 GLY C C 164 174.825 175.310 -0.485 1 1 1530 . 4 1 1 A 164 164 GLY CA C 164 46.375 46.767 -0.392 1 1 1531 . 4 1 1 A 164 164 GLY N N 164 114.473 107.365 7.108 1 1 1532 . 4 1 1 A 165 165 LEU H H 165 7.400 8.290 -0.890 1 1 1533 . 4 1 1 A 165 165 LEU HA H 165 3.792 4.091 -0.299 1 1 1538 . 4 1 1 A 165 165 LEU C C 165 176.722 179.321 -2.599 1 1 1539 . 4 1 1 A 165 165 LEU CA C 165 58.737 57.798 0.939 1 1 1540 . 4 1 1 A 165 165 LEU CB C 165 43.498 41.772 1.726 1 1 1543 . 4 1 1 A 165 165 LEU N N 165 121.187 122.097 -0.910 1 1 1544 . 4 1 1 A 166 166 LYS H H 166 8.580 7.750 0.830 1 1 1545 . 4 1 1 A 166 166 LYS HA H 166 4.151 4.043 0.108 1 1 1548 . 4 1 1 A 166 166 LYS C C 166 179.204 179.465 -0.261 1 1 1549 . 4 1 1 A 166 166 LYS CA C 166 60.208 59.526 0.682 1 1 1550 . 4 1 1 A 166 166 LYS CB C 166 31.801 32.024 -0.223 1 1 1554 . 4 1 1 A 166 166 LYS N N 166 116.769 118.252 -1.483 1 1 1555 . 4 1 1 A 167 167 ASN H H 167 8.125 7.955 0.170 1 1 1556 . 4 1 1 A 167 167 ASN HA H 167 4.349 4.609 -0.260 1 1 1559 . 4 1 1 A 167 167 ASN C C 167 175.612 177.922 -2.310 1 1 1560 . 4 1 1 A 167 167 ASN CA C 167 56.686 55.863 0.823 1 1 1561 . 4 1 1 A 167 167 ASN CB C 167 38.650 38.808 -0.158 1 1 1562 . 4 1 1 A 167 167 ASN N N 167 114.773 117.581 -2.808 1 1 1563 . 4 1 1 A 168 168 VAL H H 168 7.365 7.632 -0.267 1 1 1564 . 4 1 1 A 168 168 VAL HA H 168 2.910 4.010 -1.100 1 1 1569 . 4 1 1 A 168 168 VAL C C 168 175.770 177.889 -2.119 1 1 1570 . 4 1 1 A 168 168 VAL CA C 168 67.103 64.392 2.711 1 1 1571 . 4 1 1 A 168 168 VAL CB C 168 30.845 31.602 -0.757 1 1 1574 . 4 1 1 A 168 168 VAL N N 168 117.042 115.701 1.341 1 1 1575 . 4 1 1 A 169 169 PHE H H 169 6.368 7.998 -1.630 1 1 1576 . 4 1 1 A 169 169 PHE HA H 169 3.751 4.111 -0.360 1 1 1579 . 4 1 1 A 169 169 PHE C C 169 178.202 177.446 0.756 1 1 1580 . 4 1 1 A 169 169 PHE CA C 169 61.975 61.365 0.610 1 1 1581 . 4 1 1 A 169 169 PHE CB C 169 38.990 38.952 0.038 1 1 1582 . 4 1 1 A 169 169 PHE N N 169 113.983 123.747 -9.764 1 1 1583 . 4 1 1 A 170 170 ASP H H 170 7.906 8.326 -0.420 1 1 1584 . 4 1 1 A 170 170 ASP HA H 170 4.338 4.133 0.205 1 1 1586 . 4 1 1 A 170 170 ASP C C 170 178.596 179.312 -0.716 1 1 1587 . 4 1 1 A 170 170 ASP CA C 170 57.540 57.276 0.264 1 1 1588 . 4 1 1 A 170 170 ASP CB C 170 39.481 39.969 -0.488 1 1 1589 . 4 1 1 A 170 170 ASP N N 170 120.793 119.146 1.647 1 1 1590 . 4 1 1 A 171 171 GLU H H 171 8.048 8.014 0.034 1 1 1591 . 4 1 1 A 171 171 GLU HA H 171 3.989 3.943 0.046 1 1 1594 . 4 1 1 A 171 171 GLU C C 171 179.405 179.135 0.270 1 1 1595 . 4 1 1 A 171 171 GLU CA C 171 58.130 58.970 -0.840 1 1 1596 . 4 1 1 A 171 171 GLU CB C 171 27.546 28.992 -1.446 1 1 1598 . 4 1 1 A 171 171 GLU N N 171 115.893 119.439 -3.546 1 1 1599 . 4 1 1 A 172 172 ALA H H 172 7.937 7.701 0.236 1 1 1600 . 4 1 1 A 172 172 ALA HA H 172 3.759 3.971 -0.212 1 1 1604 . 4 1 1 A 172 172 ALA C C 172 177.968 180.120 -2.152 1 1 1605 . 4 1 1 A 172 172 ALA CA C 172 55.395 54.922 0.473 1 1 1606 . 4 1 1 A 172 172 ALA CB C 172 17.084 18.174 -1.090 1 1 1607 . 4 1 1 A 172 172 ALA N N 172 123.733 122.590 1.143 1 1 1608 . 4 1 1 A 173 173 ILE H H 173 7.645 7.207 0.438 1 1 1609 . 4 1 1 A 173 173 ILE HA H 173 3.314 3.520 -0.206 1 1 1615 . 4 1 1 A 173 173 ILE C C 173 177.082 178.541 -1.459 1 1 1616 . 4 1 1 A 173 173 ILE CA C 173 65.755 64.791 0.964 1 1 1617 . 4 1 1 A 173 173 ILE CB C 173 37.448 37.708 -0.260 1 1 1621 . 4 1 1 A 173 173 ILE N N 173 116.213 119.664 -3.451 1 1 1622 . 4 1 1 A 174 174 LEU H H 174 7.703 8.127 -0.424 1 1 1623 . 4 1 1 A 174 174 LEU HA H 174 3.760 3.854 -0.094 1 1 1629 . 4 1 1 A 174 174 LEU C C 174 179.847 179.119 0.728 1 1 1630 . 4 1 1 A 174 174 LEU CA C 174 58.049 57.934 0.115 1 1 1631 . 4 1 1 A 174 174 LEU CB C 174 40.973 41.272 -0.299 1 1 1634 . 4 1 1 A 174 174 LEU N N 174 116.496 119.652 -3.156 1 1 1635 . 4 1 1 A 175 175 ALA H H 175 7.927 7.879 0.048 1 1 1636 . 4 1 1 A 175 175 ALA HA H 175 4.057 3.927 0.130 1 1 1640 . 4 1 1 A 175 175 ALA C C 175 178.605 179.473 -0.868 1 1 1641 . 4 1 1 A 175 175 ALA CA C 175 54.004 55.087 -1.083 1 1 1642 . 4 1 1 A 175 175 ALA CB C 175 18.464 18.086 0.378 1 1 1643 . 4 1 1 A 175 175 ALA N N 175 118.760 121.474 -2.714 1 1 1644 . 4 1 1 A 176 176 ALA H H 176 7.647 7.659 -0.012 1 1 1645 . 4 1 1 A 176 176 ALA HA H 176 4.035 3.955 0.080 1 1 1649 . 4 1 1 A 176 176 ALA C C 176 178.284 179.820 -1.536 1 1 1650 . 4 1 1 A 176 176 ALA CA C 176 53.335 54.975 -1.640 1 1 1651 . 4 1 1 A 176 176 ALA CB C 176 18.985 18.061 0.924 1 1 1652 . 4 1 1 A 176 176 ALA N N 176 117.532 120.446 -2.914 1 1 1653 . 4 1 1 A 177 177 LEU H H 177 7.419 7.616 -0.197 1 1 1654 . 4 1 1 A 177 177 LEU HA H 177 4.210 4.016 0.194 1 1 1658 . 4 1 1 A 177 177 LEU C C 177 174.091 178.861 -4.770 1 1 1659 . 4 1 1 A 177 177 LEU CA C 177 55.035 57.406 -2.371 1 1 1660 . 4 1 1 A 177 177 LEU CB C 177 42.340 41.866 0.474 1 1 1663 . 4 1 1 A 177 177 LEU N N 177 115.220 119.425 -4.205 1 1 9 . 5 1 1 A 2 2 GLN H H 2 8.458 8.784 -0.326 1 1 10 . 5 1 1 A 2 2 GLN HA H 2 4.330 4.039 0.291 1 1 17 . 5 1 1 A 2 2 GLN C C 2 176.274 175.571 0.703 1 1 18 . 5 1 1 A 2 2 GLN CA C 2 55.806 56.568 -0.762 1 1 19 . 5 1 1 A 2 2 GLN CB C 2 32.011 27.754 4.257 1 1 21 . 5 1 1 A 2 2 GLN N N 2 121.530 116.608 4.922 1 1 23 . 5 1 1 A 3 3 THR H H 3 7.618 8.208 -0.590 1 1 24 . 5 1 1 A 3 3 THR HA H 3 4.683 5.105 -0.422 1 1 29 . 5 1 1 A 3 3 THR C C 3 173.331 173.520 -0.189 1 1 30 . 5 1 1 A 3 3 THR CA C 3 61.640 59.409 2.231 1 1 31 . 5 1 1 A 3 3 THR CB C 3 70.160 71.984 -1.824 1 1 33 . 5 1 1 A 3 3 THR N N 3 120.510 113.053 7.457 1 1 34 . 5 1 1 A 4 4 ILE H H 4 9.077 9.109 -0.032 1 1 35 . 5 1 1 A 4 4 ILE HA H 4 4.418 4.577 -0.159 1 1 38 . 5 1 1 A 4 4 ILE C C 4 173.824 174.770 -0.946 1 1 39 . 5 1 1 A 4 4 ILE CA C 4 59.775 60.428 -0.653 1 1 40 . 5 1 1 A 4 4 ILE CB C 4 40.441 40.225 0.216 1 1 44 . 5 1 1 A 4 4 ILE N N 4 127.486 122.739 4.747 1 1 45 . 5 1 1 A 5 5 LYS H H 5 10.666 8.935 1.731 1 1 46 . 5 1 1 A 5 5 LYS HA H 5 4.773 5.085 -0.312 1 1 47 . 5 1 1 A 5 5 LYS C C 5 174.398 175.148 -0.750 1 1 48 . 5 1 1 A 5 5 LYS CA C 5 56.175 55.550 0.625 1 1 49 . 5 1 1 A 5 5 LYS CB C 5 31.965 34.287 -2.322 1 1 52 . 5 1 1 A 5 5 LYS N N 5 131.626 127.221 4.405 1 1 53 . 5 1 1 A 6 6 CYS H H 6 9.473 8.738 0.735 1 1 54 . 5 1 1 A 6 6 CYS HA H 6 5.580 5.110 0.470 1 1 57 . 5 1 1 A 6 6 CYS C C 6 172.210 172.979 -0.769 1 1 58 . 5 1 1 A 6 6 CYS CA C 6 56.195 56.704 -0.509 1 1 59 . 5 1 1 A 6 6 CYS CB C 6 28.604 28.962 -0.358 1 1 60 . 5 1 1 A 6 6 CYS N N 6 131.522 123.589 7.933 1 1 61 . 5 1 1 A 7 7 VAL H H 7 7.607 8.778 -1.171 1 1 62 . 5 1 1 A 7 7 VAL HA H 7 5.014 4.911 0.103 1 1 70 . 5 1 1 A 7 7 VAL C C 7 174.077 174.784 -0.707 1 1 71 . 5 1 1 A 7 7 VAL CA C 7 60.575 61.223 -0.648 1 1 72 . 5 1 1 A 7 7 VAL CB C 7 33.100 34.377 -1.277 1 1 74 . 5 1 1 A 7 7 VAL N N 7 128.326 127.184 1.142 1 1 75 . 5 1 1 A 8 8 VAL H H 8 8.566 8.485 0.081 1 1 76 . 5 1 1 A 8 8 VAL HA H 8 4.784 4.691 0.093 1 1 84 . 5 1 1 A 8 8 VAL C C 8 174.443 174.412 0.031 1 1 85 . 5 1 1 A 8 8 VAL CA C 8 61.573 60.520 1.053 1 1 86 . 5 1 1 A 8 8 VAL CB C 8 32.367 34.625 -2.258 1 1 88 . 5 1 1 A 8 8 VAL N N 8 127.481 126.323 1.158 1 1 89 . 5 1 1 A 9 9 VAL H H 9 8.923 8.446 0.477 1 1 90 . 5 1 1 A 9 9 VAL HA H 9 4.419 4.780 -0.361 1 1 98 . 5 1 1 A 9 9 VAL C C 9 173.171 173.174 -0.003 1 1 99 . 5 1 1 A 9 9 VAL CA C 9 58.397 59.785 -1.388 1 1 100 . 5 1 1 A 9 9 VAL CB C 9 35.085 35.876 -0.791 1 1 102 . 5 1 1 A 9 9 VAL N N 9 116.900 125.040 -8.140 1 1 103 . 5 1 1 A 10 10 GLY H H 10 6.267 8.734 -2.467 1 1 104 . 5 1 1 A 10 10 GLY HA2 H 10 4.159 4.546 -0.387 1 1 105 . 5 1 1 A 10 10 GLY HA3 H 10 1.722 4.585 -2.863 1 1 106 . 5 1 1 A 10 10 GLY C C 10 172.378 171.884 0.494 1 1 107 . 5 1 1 A 10 10 GLY CA C 10 42.935 44.306 -1.371 1 1 108 . 5 1 1 A 10 10 GLY N N 10 106.077 113.794 -7.717 1 1 109 . 5 1 1 A 11 11 ASP H H 11 8.399 9.189 -0.790 1 1 110 . 5 1 1 A 11 11 ASP HA H 11 4.737 5.072 -0.335 1 1 112 . 5 1 1 A 11 11 ASP C C 11 177.486 176.254 1.232 1 1 113 . 5 1 1 A 11 11 ASP CA C 11 55.635 53.709 1.926 1 1 114 . 5 1 1 A 11 11 ASP CB C 11 41.076 41.766 -0.690 1 1 115 . 5 1 1 A 11 11 ASP N N 11 119.142 121.868 -2.726 1 1 116 . 5 1 1 A 12 12 GLY H H 12 8.902 9.060 -0.158 1 1 117 . 5 1 1 A 12 12 GLY HA2 H 12 3.954 3.934 0.020 1 1 118 . 5 1 1 A 12 12 GLY HA3 H 12 3.718 3.939 -0.221 1 1 119 . 5 1 1 A 12 12 GLY C C 12 173.624 174.854 -1.230 1 1 120 . 5 1 1 A 12 12 GLY CA C 12 46.955 47.188 -0.233 1 1 121 . 5 1 1 A 12 12 GLY N N 12 104.688 113.485 -8.797 1 1 122 . 5 1 1 A 13 13 ALA H H 13 10.666 8.062 2.604 1 1 123 . 5 1 1 A 13 13 ALA HA H 13 4.067 4.510 -0.443 1 1 127 . 5 1 1 A 13 13 ALA CA C 13 53.455 51.676 1.779 1 1 128 . 5 1 1 A 13 13 ALA CB C 13 15.706 19.516 -3.810 1 1 129 . 5 1 1 A 13 13 ALA N N 13 123.135 121.562 1.573 1 1 130 . 5 1 1 A 14 14 VAL H H 14 7.663 8.699 -1.036 1 1 131 . 5 1 1 A 14 14 VAL HA H 14 4.146 3.713 0.433 1 1 132 . 5 1 1 A 14 14 VAL C C 14 175.007 177.412 -2.405 1 1 133 . 5 1 1 A 14 14 VAL CA C 14 62.015 66.332 -4.317 1 1 134 . 5 1 1 A 14 14 VAL N N 14 118.803 124.389 -5.586 1 1 135 . 5 1 1 A 15 15 GLY H H 15 8.686 8.046 0.640 1 1 136 . 5 1 1 A 15 15 GLY HA2 H 15 4.838 4.103 0.735 1 1 137 . 5 1 1 A 15 15 GLY HA3 H 15 4.312 4.110 0.202 1 1 138 . 5 1 1 A 15 15 GLY C C 15 175.934 175.453 0.481 1 1 139 . 5 1 1 A 15 15 GLY CA C 15 44.835 45.974 -1.139 1 1 140 . 5 1 1 A 15 15 GLY N N 15 110.360 108.763 1.597 1 1 141 . 5 1 1 A 16 16 LYS H H 16 10.352 7.368 2.984 1 1 142 . 5 1 1 A 16 16 LYS HA H 16 3.575 3.913 -0.338 1 1 143 . 5 1 1 A 16 16 LYS C C 16 176.582 179.028 -2.446 1 1 144 . 5 1 1 A 16 16 LYS CA C 16 60.695 58.750 1.945 1 1 145 . 5 1 1 A 16 16 LYS CB C 16 29.661 32.233 -2.572 1 1 146 . 5 1 1 A 16 16 LYS N N 16 125.835 121.455 4.380 1 1 147 . 5 1 1 A 17 17 THR H H 17 9.024 8.186 0.838 1 1 148 . 5 1 1 A 17 17 THR HA H 17 3.930 3.911 0.019 1 1 153 . 5 1 1 A 17 17 THR C C 17 177.493 176.937 0.556 1 1 154 . 5 1 1 A 17 17 THR CA C 17 66.984 66.515 0.469 1 1 155 . 5 1 1 A 17 17 THR CB C 17 67.298 68.063 -0.765 1 1 157 . 5 1 1 A 17 17 THR N N 17 118.089 116.810 1.279 1 1 158 . 5 1 1 A 18 18 CYS H H 18 9.773 8.143 1.630 1 1 159 . 5 1 1 A 18 18 CYS HA H 18 3.580 4.046 -0.466 1 1 162 . 5 1 1 A 18 18 CYS C C 18 176.716 176.965 -0.249 1 1 163 . 5 1 1 A 18 18 CYS CA C 18 65.816 63.343 2.473 1 1 164 . 5 1 1 A 18 18 CYS CB C 18 27.655 27.240 0.415 1 1 165 . 5 1 1 A 18 18 CYS N N 18 119.747 118.406 1.341 1 1 166 . 5 1 1 A 19 19 LEU H H 19 8.195 7.829 0.366 1 1 167 . 5 1 1 A 19 19 LEU HA H 19 3.940 4.108 -0.168 1 1 174 . 5 1 1 A 19 19 LEU C C 19 177.177 178.733 -1.556 1 1 175 . 5 1 1 A 19 19 LEU CA C 19 59.366 58.015 1.351 1 1 176 . 5 1 1 A 19 19 LEU CB C 19 41.377 41.653 -0.276 1 1 178 . 5 1 1 A 19 19 LEU N N 19 121.557 123.179 -1.622 1 1 179 . 5 1 1 A 20 20 LEU H H 20 7.270 7.792 -0.522 1 1 180 . 5 1 1 A 20 20 LEU HA H 20 3.840 4.161 -0.321 1 1 189 . 5 1 1 A 20 20 LEU C C 20 180.155 179.255 0.900 1 1 190 . 5 1 1 A 20 20 LEU CA C 20 57.629 57.716 -0.087 1 1 191 . 5 1 1 A 20 20 LEU CB C 20 41.498 41.406 0.092 1 1 194 . 5 1 1 A 20 20 LEU N N 20 117.986 117.711 0.275 1 1 195 . 5 1 1 A 21 21 ILE H H 21 8.619 7.947 0.672 1 1 196 . 5 1 1 A 21 21 ILE HA H 21 3.090 3.453 -0.363 1 1 202 . 5 1 1 A 21 21 ILE C C 21 179.125 177.646 1.479 1 1 203 . 5 1 1 A 21 21 ILE CA C 21 66.129 64.962 1.167 1 1 204 . 5 1 1 A 21 21 ILE CB C 21 38.338 37.639 0.699 1 1 208 . 5 1 1 A 21 21 ILE N N 21 121.078 120.654 0.424 1 1 209 . 5 1 1 A 22 22 SER H H 22 8.899 8.250 0.649 1 1 210 . 5 1 1 A 22 22 SER HA H 22 4.517 4.119 0.398 1 1 213 . 5 1 1 A 22 22 SER C C 22 176.876 176.091 0.785 1 1 214 . 5 1 1 A 22 22 SER CA C 22 61.380 62.725 -1.345 1 1 215 . 5 1 1 A 22 22 SER CB C 22 63.882 63.380 0.502 1 1 216 . 5 1 1 A 22 22 SER N N 22 118.286 116.074 2.212 1 1 217 . 5 1 1 A 23 23 TYR H H 23 7.951 7.330 0.621 1 1 218 . 5 1 1 A 23 23 TYR HA H 23 4.264 4.184 0.080 1 1 223 . 5 1 1 A 23 23 TYR C C 23 176.820 177.417 -0.597 1 1 224 . 5 1 1 A 23 23 TYR CA C 23 60.474 61.467 -0.993 1 1 225 . 5 1 1 A 23 23 TYR CB C 23 39.531 38.937 0.594 1 1 226 . 5 1 1 A 23 23 TYR N N 23 117.292 123.378 -6.086 1 1 227 . 5 1 1 A 24 24 THR H H 24 7.702 8.867 -1.165 1 1 228 . 5 1 1 A 24 24 THR HA H 24 3.614 3.859 -0.245 1 1 233 . 5 1 1 A 24 24 THR C C 24 176.500 175.345 1.155 1 1 234 . 5 1 1 A 24 24 THR CA C 24 64.095 66.298 -2.203 1 1 235 . 5 1 1 A 24 24 THR CB C 24 70.437 68.511 1.926 1 1 237 . 5 1 1 A 24 24 THR N N 24 105.659 115.348 -9.689 1 1 238 . 5 1 1 A 25 25 THR H H 25 8.080 8.048 0.032 1 1 239 . 5 1 1 A 25 25 THR HA H 25 4.556 4.541 0.015 1 1 244 . 5 1 1 A 25 25 THR C C 25 175.025 174.153 0.872 1 1 245 . 5 1 1 A 25 25 THR CA C 25 61.975 60.770 1.205 1 1 246 . 5 1 1 A 25 25 THR CB C 25 72.012 69.289 2.723 1 1 248 . 5 1 1 A 25 25 THR N N 25 109.689 111.643 -1.954 1 1 249 . 5 1 1 A 26 26 ASN H H 26 7.603 8.435 -0.832 1 1 250 . 5 1 1 A 26 26 ASN HA H 26 4.501 4.936 -0.435 1 1 253 . 5 1 1 A 26 26 ASN C C 26 173.259 175.576 -2.317 1 1 254 . 5 1 1 A 26 26 ASN CA C 26 55.218 52.290 2.928 1 1 255 . 5 1 1 A 26 26 ASN CB C 26 38.009 39.936 -1.927 1 1 256 . 5 1 1 A 26 26 ASN N N 26 115.569 119.669 -4.100 1 1 257 . 5 1 1 A 27 27 LYS H H 27 7.698 7.702 -0.004 1 1 258 . 5 1 1 A 27 27 LYS HA H 27 4.431 4.221 0.210 1 1 261 . 5 1 1 A 27 27 LYS C C 27 173.500 177.499 -3.999 1 1 262 . 5 1 1 A 27 27 LYS CA C 27 55.163 58.763 -3.600 1 1 263 . 5 1 1 A 27 27 LYS CB C 27 35.034 32.254 2.780 1 1 267 . 5 1 1 A 27 27 LYS N N 27 118.253 117.812 0.441 1 1 268 . 5 1 1 A 28 28 PHE H H 28 8.554 8.511 0.043 1 1 269 . 5 1 1 A 28 28 PHE CA C 28 55.575 61.415 -5.840 1 1 270 . 5 1 1 A 28 28 PHE CB C 28 39.322 37.968 1.354 1 1 271 . 5 1 1 A 28 28 PHE N N 28 125.682 118.907 6.775 1 1 272 . 5 1 1 A 29 29 PRO HA H 29 4.373 4.281 0.092 1 1 274 . 5 1 1 A 29 29 PRO C C 29 173.611 176.857 -3.246 1 1 275 . 5 1 1 A 29 29 PRO CA C 29 61.978 66.103 -4.125 1 1 276 . 5 1 1 A 29 29 PRO CB C 29 30.039 30.998 -0.959 1 1 279 . 5 1 1 A 30 30 SER H H 30 7.993 7.813 0.180 1 1 280 . 5 1 1 A 30 30 SER HA H 30 4.285 4.795 -0.510 1 1 283 . 5 1 1 A 30 30 SER C C 30 174.665 173.841 0.824 1 1 284 . 5 1 1 A 30 30 SER CA C 30 58.948 56.301 2.647 1 1 285 . 5 1 1 A 30 30 SER CB C 30 64.019 64.799 -0.780 1 1 286 . 5 1 1 A 30 30 SER N N 30 116.682 112.531 4.151 1 1 287 . 5 1 1 A 31 31 GLU H H 31 8.198 8.728 -0.530 1 1 288 . 5 1 1 A 31 31 GLU HA H 31 4.308 4.369 -0.061 1 1 292 . 5 1 1 A 31 31 GLU C C 31 175.157 175.810 -0.653 1 1 293 . 5 1 1 A 31 31 GLU CA C 31 56.846 56.777 0.069 1 1 294 . 5 1 1 A 31 31 GLU CB C 31 30.113 31.522 -1.409 1 1 296 . 5 1 1 A 31 31 GLU N N 31 120.151 123.600 -3.449 1 1 297 . 5 1 1 A 32 32 TYR H H 32 7.714 7.678 0.036 1 1 298 . 5 1 1 A 32 32 TYR HA H 32 4.407 5.260 -0.853 1 1 302 . 5 1 1 A 32 32 TYR C C 32 173.544 174.398 -0.854 1 1 303 . 5 1 1 A 32 32 TYR CA C 32 58.368 56.549 1.819 1 1 304 . 5 1 1 A 32 32 TYR CB C 32 38.614 42.708 -4.094 1 1 305 . 5 1 1 A 32 32 TYR N N 32 118.548 117.869 0.679 1 1 306 . 5 1 1 A 33 33 VAL H H 33 7.764 8.850 -1.086 1 1 307 . 5 1 1 A 33 33 VAL HA H 33 4.048 4.704 -0.656 1 1 315 . 5 1 1 A 33 33 VAL CA C 33 58.575 59.077 -0.502 1 1 316 . 5 1 1 A 33 33 VAL CB C 33 33.600 33.044 0.556 1 1 317 . 5 1 1 A 33 33 VAL N N 33 125.992 122.263 3.729 1 1 318 . 5 1 1 A 34 34 PRO HA H 34 4.215 4.365 -0.150 1 1 320 . 5 1 1 A 34 34 PRO C C 34 175.627 176.204 -0.577 1 1 321 . 5 1 1 A 34 34 PRO CA C 34 61.655 66.093 -4.438 1 1 322 . 5 1 1 A 34 34 PRO CB C 34 31.965 31.354 0.611 1 1 325 . 5 1 1 A 35 35 ALA H H 35 8.503 7.123 1.380 1 1 326 . 5 1 1 A 35 35 ALA HA H 35 4.190 4.600 -0.410 1 1 330 . 5 1 1 A 35 35 ALA C C 35 178.295 174.979 3.316 1 1 331 . 5 1 1 A 35 35 ALA CA C 35 54.499 50.645 3.854 1 1 332 . 5 1 1 A 35 35 ALA CB C 35 18.235 23.482 -5.247 1 1 333 . 5 1 1 A 35 35 ALA N N 35 123.063 117.038 6.025 1 1 334 . 5 1 1 A 36 36 VAL H H 36 8.032 8.647 -0.615 1 1 335 . 5 1 1 A 36 36 VAL HA H 36 4.258 4.923 -0.665 1 1 340 . 5 1 1 A 36 36 VAL CA C 36 60.200 59.684 0.516 1 1 341 . 5 1 1 A 36 36 VAL CB C 36 29.879 35.590 -5.711 1 1 342 . 5 1 1 A 36 36 VAL N N 36 116.770 117.115 -0.345 1 1 344 . 5 1 1 A 37 37 PHE C C 37 174.502 175.362 -0.860 1 1 345 . 5 1 1 A 37 37 PHE CA C 37 56.175 60.161 -3.986 1 1 346 . 5 1 1 A 37 37 PHE CB C 37 40.231 39.050 1.181 1 1 347 . 5 1 1 A 38 38 ASP H H 38 7.602 7.892 -0.290 1 1 348 . 5 1 1 A 38 38 ASP HA H 38 4.343 4.849 -0.506 1 1 351 . 5 1 1 A 38 38 ASP C C 38 174.386 174.422 -0.036 1 1 352 . 5 1 1 A 38 38 ASP CA C 38 54.323 52.770 1.553 1 1 353 . 5 1 1 A 38 38 ASP CB C 38 40.815 41.786 -0.971 1 1 354 . 5 1 1 A 38 38 ASP N N 38 125.774 112.955 12.819 1 1 355 . 5 1 1 A 39 39 ASN H H 39 7.917 8.460 -0.543 1 1 356 . 5 1 1 A 39 39 ASN HA H 39 4.303 4.448 -0.145 1 1 360 . 5 1 1 A 39 39 ASN C C 39 173.897 174.782 -0.885 1 1 361 . 5 1 1 A 39 39 ASN CA C 39 54.317 53.439 0.878 1 1 362 . 5 1 1 A 39 39 ASN CB C 39 38.180 38.615 -0.435 1 1 363 . 5 1 1 A 39 39 ASN N N 39 117.429 117.602 -0.173 1 1 365 . 5 1 1 A 40 40 TYR H H 40 7.726 8.983 -1.257 1 1 366 . 5 1 1 A 40 40 TYR HA H 40 4.513 5.192 -0.679 1 1 370 . 5 1 1 A 40 40 TYR C C 40 172.772 174.849 -2.077 1 1 371 . 5 1 1 A 40 40 TYR CA C 40 57.335 56.925 0.410 1 1 372 . 5 1 1 A 40 40 TYR CB C 40 42.956 42.047 0.909 1 1 373 . 5 1 1 A 40 40 TYR N N 40 122.998 119.934 3.064 1 1 374 . 5 1 1 A 41 41 ALA H H 41 7.651 8.878 -1.227 1 1 375 . 5 1 1 A 41 41 ALA HA H 41 5.636 5.520 0.116 1 1 379 . 5 1 1 A 41 41 ALA C C 41 175.778 175.961 -0.183 1 1 380 . 5 1 1 A 41 41 ALA CA C 41 50.456 49.963 0.493 1 1 381 . 5 1 1 A 41 41 ALA CB C 41 20.492 22.939 -2.447 1 1 382 . 5 1 1 A 41 41 ALA N N 41 127.028 124.493 2.535 1 1 383 . 5 1 1 A 42 42 VAL H H 42 8.781 8.574 0.207 1 1 384 . 5 1 1 A 42 42 VAL HA H 42 4.564 4.804 -0.240 1 1 389 . 5 1 1 A 42 42 VAL C C 42 173.852 174.599 -0.747 1 1 390 . 5 1 1 A 42 42 VAL CA C 42 59.278 60.592 -1.314 1 1 391 . 5 1 1 A 42 42 VAL CB C 42 35.342 35.684 -0.342 1 1 393 . 5 1 1 A 42 42 VAL N N 42 117.471 120.609 -3.138 1 1 394 . 5 1 1 A 43 43 THR H H 43 8.566 8.925 -0.359 1 1 395 . 5 1 1 A 43 43 THR HA H 43 5.124 4.787 0.337 1 1 400 . 5 1 1 A 43 43 THR C C 43 174.210 174.169 0.041 1 1 401 . 5 1 1 A 43 43 THR CA C 43 62.434 62.346 0.088 1 1 402 . 5 1 1 A 43 43 THR CB C 43 69.296 69.939 -0.643 1 1 404 . 5 1 1 A 43 43 THR N N 43 120.850 123.615 -2.765 1 1 405 . 5 1 1 A 44 44 VAL H H 44 9.442 8.911 0.531 1 1 406 . 5 1 1 A 44 44 VAL HA H 44 4.367 4.692 -0.325 1 1 411 . 5 1 1 A 44 44 VAL C C 44 174.061 174.680 -0.619 1 1 412 . 5 1 1 A 44 44 VAL CA C 44 60.639 60.849 -0.210 1 1 413 . 5 1 1 A 44 44 VAL CB C 44 35.053 34.842 0.211 1 1 415 . 5 1 1 A 44 44 VAL N N 44 127.764 126.923 0.841 1 1 416 . 5 1 1 A 45 45 MET H H 45 8.513 8.586 -0.073 1 1 417 . 5 1 1 A 45 45 MET HA H 45 5.272 5.130 0.142 1 1 421 . 5 1 1 A 45 45 MET C C 45 176.395 175.709 0.686 1 1 422 . 5 1 1 A 45 45 MET CA C 45 53.264 53.962 -0.698 1 1 423 . 5 1 1 A 45 45 MET CB C 45 31.692 33.482 -1.790 1 1 424 . 5 1 1 A 45 45 MET N N 45 123.063 124.856 -1.793 1 1 425 . 5 1 1 A 46 46 ILE H H 46 9.103 8.807 0.296 1 1 426 . 5 1 1 A 46 46 ILE HA H 46 4.382 4.627 -0.245 1 1 434 . 5 1 1 A 46 46 ILE C C 46 177.661 176.360 1.301 1 1 435 . 5 1 1 A 46 46 ILE CA C 46 59.755 60.061 -0.306 1 1 436 . 5 1 1 A 46 46 ILE CB C 46 38.913 40.641 -1.728 1 1 440 . 5 1 1 A 46 46 ILE N N 46 125.267 124.929 0.338 1 1 441 . 5 1 1 A 47 47 GLY H H 47 9.385 9.763 -0.378 1 1 442 . 5 1 1 A 47 47 GLY HA2 H 47 4.755 3.900 0.855 1 1 443 . 5 1 1 A 47 47 GLY HA3 H 47 3.851 3.911 -0.060 1 1 444 . 5 1 1 A 47 47 GLY C C 47 175.195 175.355 -0.160 1 1 445 . 5 1 1 A 47 47 GLY CA C 47 47.015 46.755 0.260 1 1 446 . 5 1 1 A 47 47 GLY N N 47 119.278 117.954 1.324 1 1 447 . 5 1 1 A 48 48 GLY H H 48 8.606 8.742 -0.136 1 1 448 . 5 1 1 A 48 48 GLY HA2 H 48 4.140 3.911 0.229 1 1 449 . 5 1 1 A 48 48 GLY HA3 H 48 3.623 3.911 -0.288 1 1 450 . 5 1 1 A 48 48 GLY C C 48 172.844 173.845 -1.001 1 1 451 . 5 1 1 A 48 48 GLY CA C 48 44.889 45.505 -0.616 1 1 452 . 5 1 1 A 48 48 GLY N N 48 104.656 107.783 -3.127 1 1 453 . 5 1 1 A 49 49 GLU H H 49 7.722 9.321 -1.599 1 1 454 . 5 1 1 A 49 49 GLU HA H 49 4.182 4.575 -0.393 1 1 457 . 5 1 1 A 49 49 GLU CA C 49 52.336 52.972 -0.636 1 1 458 . 5 1 1 A 49 49 GLU CB C 49 31.160 30.962 0.198 1 1 459 . 5 1 1 A 49 49 GLU N N 49 120.543 121.446 -0.903 1 1 460 . 5 1 1 A 50 50 PRO HA H 50 4.977 4.882 0.095 1 1 462 . 5 1 1 A 50 50 PRO C C 50 177.922 175.406 2.516 1 1 463 . 5 1 1 A 50 50 PRO CA C 50 62.080 62.738 -0.658 1 1 464 . 5 1 1 A 50 50 PRO CB C 50 32.147 31.694 0.453 1 1 465 . 5 1 1 A 51 51 TYR H H 51 9.148 8.379 0.769 1 1 466 . 5 1 1 A 51 51 TYR HA H 51 4.683 4.962 -0.279 1 1 470 . 5 1 1 A 51 51 TYR C C 51 176.400 175.847 0.553 1 1 471 . 5 1 1 A 51 51 TYR CA C 51 57.344 56.697 0.647 1 1 472 . 5 1 1 A 51 51 TYR CB C 51 41.669 42.274 -0.605 1 1 473 . 5 1 1 A 51 51 TYR N N 51 121.300 125.120 -3.820 1 1 474 . 5 1 1 A 52 52 THR H H 52 8.889 8.905 -0.016 1 1 475 . 5 1 1 A 52 52 THR HA H 52 4.113 5.030 -0.917 1 1 477 . 5 1 1 A 52 52 THR C C 52 172.149 173.702 -1.553 1 1 478 . 5 1 1 A 52 52 THR CA C 52 62.400 60.388 2.012 1 1 479 . 5 1 1 A 52 52 THR CB C 52 69.447 70.568 -1.121 1 1 481 . 5 1 1 A 52 52 THR N N 52 119.482 115.274 4.208 1 1 482 . 5 1 1 A 53 53 LEU H H 53 9.480 8.284 1.196 1 1 483 . 5 1 1 A 53 53 LEU HA H 53 5.030 5.064 -0.034 1 1 491 . 5 1 1 A 53 53 LEU C C 53 174.307 174.642 -0.335 1 1 492 . 5 1 1 A 53 53 LEU CA C 53 53.375 53.543 -0.168 1 1 493 . 5 1 1 A 53 53 LEU CB C 53 44.216 46.002 -1.786 1 1 496 . 5 1 1 A 53 53 LEU N N 53 131.364 123.838 7.526 1 1 497 . 5 1 1 A 54 54 GLY H H 54 9.749 8.523 1.226 1 1 498 . 5 1 1 A 54 54 GLY HA2 H 54 4.571 4.034 0.537 1 1 499 . 5 1 1 A 54 54 GLY HA3 H 54 3.577 4.105 -0.528 1 1 500 . 5 1 1 A 54 54 GLY C C 54 171.929 171.449 0.480 1 1 501 . 5 1 1 A 54 54 GLY CA C 54 45.195 44.336 0.859 1 1 502 . 5 1 1 A 54 54 GLY N N 54 115.640 112.841 2.799 1 1 503 . 5 1 1 A 55 55 LEU H H 55 8.623 8.870 -0.247 1 1 504 . 5 1 1 A 55 55 LEU HA H 55 5.104 4.906 0.198 1 1 510 . 5 1 1 A 55 55 LEU C C 55 176.000 175.617 0.383 1 1 511 . 5 1 1 A 55 55 LEU CA C 55 54.202 52.944 1.258 1 1 512 . 5 1 1 A 55 55 LEU CB C 55 44.057 43.265 0.792 1 1 515 . 5 1 1 A 55 55 LEU N N 55 125.141 125.398 -0.257 1 1 516 . 5 1 1 A 56 56 PHE H H 56 8.735 8.901 -0.166 1 1 517 . 5 1 1 A 56 56 PHE HA H 56 4.821 5.109 -0.288 1 1 521 . 5 1 1 A 56 56 PHE C C 56 173.130 173.825 -0.695 1 1 522 . 5 1 1 A 56 56 PHE CA C 56 56.833 56.451 0.382 1 1 523 . 5 1 1 A 56 56 PHE CB C 56 40.776 41.496 -0.720 1 1 524 . 5 1 1 A 56 56 PHE N N 56 122.065 123.436 -1.371 1 1 525 . 5 1 1 A 57 57 ASP H H 57 9.093 8.749 0.344 1 1 526 . 5 1 1 A 57 57 ASP HA H 57 4.877 5.325 -0.448 1 1 529 . 5 1 1 A 57 57 ASP C C 57 175.941 175.471 0.470 1 1 530 . 5 1 1 A 57 57 ASP CA C 57 51.755 52.889 -1.134 1 1 531 . 5 1 1 A 57 57 ASP CB C 57 43.082 44.614 -1.532 1 1 532 . 5 1 1 A 57 57 ASP N N 57 124.050 122.725 1.325 1 1 533 . 5 1 1 A 58 58 THR H H 58 8.621 8.629 -0.008 1 1 534 . 5 1 1 A 58 58 THR HA H 58 3.905 4.610 -0.705 1 1 535 . 5 1 1 A 58 58 THR C C 58 172.124 173.991 -1.867 1 1 536 . 5 1 1 A 58 58 THR CA C 58 60.335 61.483 -1.148 1 1 537 . 5 1 1 A 58 58 THR CB C 58 74.469 70.088 4.381 1 1 538 . 5 1 1 A 58 58 THR N N 58 109.327 115.891 -6.564 1 1 539 . 5 1 1 A 59 59 ALA H H 59 8.695 8.269 0.426 1 1 540 . 5 1 1 A 59 59 ALA HA H 59 4.565 5.039 -0.474 1 1 544 . 5 1 1 A 59 59 ALA CA C 59 50.475 50.234 0.241 1 1 545 . 5 1 1 A 59 59 ALA CB C 59 18.224 23.265 -5.041 1 1 546 . 5 1 1 A 59 59 ALA N N 59 123.129 122.566 0.563 1 1 547 . 5 1 1 A 60 60 GLY H H 60 8.630 8.803 -0.173 1 1 548 . 5 1 1 A 60 60 GLY HA2 H 60 4.420 3.927 0.493 1 1 549 . 5 1 1 A 60 60 GLY HA3 H 60 3.902 3.928 -0.026 1 1 550 . 5 1 1 A 60 60 GLY C C 60 173.122 174.590 -1.468 1 1 551 . 5 1 1 A 60 60 GLY CA C 60 46.178 45.572 0.606 1 1 552 . 5 1 1 A 60 60 GLY N N 60 109.449 108.815 0.634 1 1 553 . 5 1 1 A 61 61 GLN H H 61 8.553 7.837 0.716 1 1 554 . 5 1 1 A 61 61 GLN HA H 61 4.492 4.761 -0.269 1 1 560 . 5 1 1 A 61 61 GLN C C 61 177.014 176.335 0.679 1 1 561 . 5 1 1 A 61 61 GLN CA C 61 56.895 55.156 1.739 1 1 562 . 5 1 1 A 61 61 GLN CB C 61 28.863 27.639 1.224 1 1 564 . 5 1 1 A 61 61 GLN N N 61 118.471 118.928 -0.457 1 1 566 . 5 1 1 A 62 62 GLU H H 62 9.082 8.277 0.805 1 1 567 . 5 1 1 A 62 62 GLU HA H 62 4.292 4.082 0.210 1 1 570 . 5 1 1 A 62 62 GLU C C 62 178.273 178.328 -0.055 1 1 571 . 5 1 1 A 62 62 GLU CA C 62 58.361 59.495 -1.134 1 1 572 . 5 1 1 A 62 62 GLU CB C 62 28.579 29.195 -0.616 1 1 574 . 5 1 1 A 62 62 GLU N N 62 122.087 120.859 1.228 1 1 575 . 5 1 1 A 63 63 ASP H H 63 8.636 8.226 0.410 1 1 576 . 5 1 1 A 63 63 ASP HA H 63 4.348 4.196 0.152 1 1 579 . 5 1 1 A 63 63 ASP C C 63 176.712 177.371 -0.659 1 1 580 . 5 1 1 A 63 63 ASP CA C 63 55.587 57.237 -1.650 1 1 581 . 5 1 1 A 63 63 ASP CB C 63 39.571 40.474 -0.903 1 1 582 . 5 1 1 A 63 63 ASP N N 63 117.009 119.598 -2.589 1 1 583 . 5 1 1 A 64 64 TYR H H 64 8.061 7.400 0.661 1 1 584 . 5 1 1 A 64 64 TYR HA H 64 4.609 4.619 -0.010 1 1 587 . 5 1 1 A 64 64 TYR C C 64 176.254 174.427 1.827 1 1 588 . 5 1 1 A 64 64 TYR CA C 64 58.231 57.831 0.400 1 1 589 . 5 1 1 A 64 64 TYR CB C 64 38.650 39.049 -0.399 1 1 590 . 5 1 1 A 64 64 TYR N N 64 117.063 116.215 0.848 1 1 591 . 5 1 1 A 65 65 ASP H H 65 8.064 8.647 -0.583 1 1 592 . 5 1 1 A 65 65 ASP HA H 65 4.439 4.358 0.081 1 1 594 . 5 1 1 A 65 65 ASP C C 65 175.163 175.958 -0.795 1 1 595 . 5 1 1 A 65 65 ASP CA C 65 57.971 55.419 2.552 1 1 596 . 5 1 1 A 65 65 ASP N N 65 122.196 116.982 5.214 1 1 597 . 5 1 1 A 66 66 ARG H H 66 8.537 8.019 0.518 1 1 598 . 5 1 1 A 66 66 ARG HA H 66 4.345 4.201 0.144 1 1 599 . 5 1 1 A 66 66 ARG C C 66 175.009 176.569 -1.560 1 1 600 . 5 1 1 A 66 66 ARG CA C 66 56.217 58.815 -2.598 1 1 601 . 5 1 1 A 66 66 ARG N N 66 122.224 117.802 4.422 1 1 602 . 5 1 1 A 67 67 LEU H H 67 8.336 7.434 0.902 1 1 603 . 5 1 1 A 67 67 LEU HA H 67 4.037 4.789 -0.752 1 1 604 . 5 1 1 A 67 67 LEU CA C 67 61.694 54.651 7.043 1 1 605 . 5 1 1 A 67 67 LEU N N 67 117.734 121.297 -3.563 1 1 607 . 5 1 1 A 69 69 PRO C C 69 178.122 177.647 0.475 1 1 608 . 5 1 1 A 69 69 PRO CA C 69 63.575 64.130 -0.555 1 1 611 . 5 1 1 A 70 70 LEU H H 70 7.470 9.156 -1.686 1 1 612 . 5 1 1 A 70 70 LEU HA H 70 4.031 4.061 -0.030 1 1 621 . 5 1 1 A 70 70 LEU C C 70 178.756 176.782 1.974 1 1 622 . 5 1 1 A 70 70 LEU CA C 70 56.944 57.463 -0.519 1 1 623 . 5 1 1 A 70 70 LEU CB C 70 40.002 42.125 -2.123 1 1 626 . 5 1 1 A 70 70 LEU N N 70 118.335 119.315 -0.980 1 1 627 . 5 1 1 A 71 71 SER H H 71 7.882 7.398 0.484 1 1 628 . 5 1 1 A 71 71 SER HA H 71 4.461 4.897 -0.436 1 1 630 . 5 1 1 A 71 71 SER C C 71 179.200 172.037 7.163 1 1 631 . 5 1 1 A 71 71 SER CA C 71 59.710 56.371 3.339 1 1 632 . 5 1 1 A 71 71 SER CB C 71 63.841 65.534 -1.693 1 1 633 . 5 1 1 A 71 71 SER N N 71 111.784 111.512 0.272 1 1 634 . 5 1 1 A 72 72 TYR H H 72 7.362 8.788 -1.426 1 1 635 . 5 1 1 A 72 72 TYR CA C 72 56.002 55.354 0.648 1 1 636 . 5 1 1 A 72 72 TYR CB C 72 35.144 39.675 -4.531 1 1 637 . 5 1 1 A 72 72 TYR N N 72 119.959 127.531 -7.572 1 1 638 . 5 1 1 A 73 73 PRO HA H 73 4.231 4.338 -0.107 1 1 639 . 5 1 1 A 73 73 PRO C C 73 176.096 177.108 -1.012 1 1 640 . 5 1 1 A 73 73 PRO CA C 73 66.055 62.917 3.138 1 1 641 . 5 1 1 A 73 73 PRO CB C 73 35.726 32.400 3.326 1 1 642 . 5 1 1 A 74 74 GLN H H 74 8.995 8.960 0.035 1 1 643 . 5 1 1 A 74 74 GLN HA H 74 3.790 4.186 -0.396 1 1 647 . 5 1 1 A 74 74 GLN C C 74 174.686 176.388 -1.702 1 1 648 . 5 1 1 A 74 74 GLN CA C 74 57.416 58.793 -1.377 1 1 649 . 5 1 1 A 74 74 GLN CB C 74 25.352 29.239 -3.887 1 1 651 . 5 1 1 A 74 74 GLN N N 74 114.768 121.363 -6.595 1 1 653 . 5 1 1 A 75 75 THR H H 75 7.504 7.816 -0.312 1 1 654 . 5 1 1 A 75 75 THR HA H 75 3.172 4.003 -0.831 1 1 659 . 5 1 1 A 75 75 THR C C 75 173.589 173.865 -0.276 1 1 660 . 5 1 1 A 75 75 THR CA C 75 67.162 62.662 4.500 1 1 661 . 5 1 1 A 75 75 THR CB C 75 61.122 65.755 -4.633 1 1 663 . 5 1 1 A 75 75 THR N N 75 116.725 110.426 6.299 1 1 664 . 5 1 1 A 76 76 ASP H H 76 8.865 8.016 0.849 1 1 665 . 5 1 1 A 76 76 ASP HA H 76 4.873 4.398 0.475 1 1 668 . 5 1 1 A 76 76 ASP C C 76 177.600 176.145 1.455 1 1 669 . 5 1 1 A 76 76 ASP CA C 76 56.105 57.150 -1.045 1 1 670 . 5 1 1 A 76 76 ASP CB C 76 44.016 41.073 2.943 1 1 671 . 5 1 1 A 76 76 ASP N N 76 124.192 120.239 3.953 1 1 672 . 5 1 1 A 77 77 VAL H H 77 7.578 7.935 -0.357 1 1 673 . 5 1 1 A 77 77 VAL HA H 77 4.706 4.589 0.117 1 1 681 . 5 1 1 A 77 77 VAL C C 77 171.266 173.428 -2.162 1 1 682 . 5 1 1 A 77 77 VAL CA C 77 60.346 61.172 -0.826 1 1 683 . 5 1 1 A 77 77 VAL CB C 77 32.362 35.080 -2.718 1 1 685 . 5 1 1 A 77 77 VAL N N 77 116.060 118.173 -2.113 1 1 686 . 5 1 1 A 78 78 PHE H H 78 8.287 8.959 -0.672 1 1 687 . 5 1 1 A 78 78 PHE HA H 78 5.646 5.204 0.442 1 1 690 . 5 1 1 A 78 78 PHE C C 78 175.799 173.630 2.169 1 1 691 . 5 1 1 A 78 78 PHE CA C 78 56.686 55.768 0.918 1 1 692 . 5 1 1 A 78 78 PHE CB C 78 43.413 41.300 2.113 1 1 693 . 5 1 1 A 78 78 PHE N N 78 121.935 128.428 -6.493 1 1 694 . 5 1 1 A 79 79 LEU H H 79 8.937 8.210 0.727 1 1 695 . 5 1 1 A 79 79 LEU HA H 79 4.691 5.089 -0.398 1 1 701 . 5 1 1 A 79 79 LEU C C 79 174.059 175.827 -1.768 1 1 702 . 5 1 1 A 79 79 LEU CA C 79 53.575 53.205 0.370 1 1 703 . 5 1 1 A 79 79 LEU CB C 79 41.184 43.884 -2.700 1 1 706 . 5 1 1 A 79 79 LEU N N 79 119.060 128.180 -9.120 1 1 707 . 5 1 1 A 80 80 VAL H H 80 8.828 8.400 0.428 1 1 708 . 5 1 1 A 80 80 VAL HA H 80 4.138 4.619 -0.481 1 1 716 . 5 1 1 A 80 80 VAL C C 80 174.535 174.577 -0.042 1 1 717 . 5 1 1 A 80 80 VAL CA C 80 61.395 60.691 0.704 1 1 718 . 5 1 1 A 80 80 VAL CB C 80 30.602 34.653 -4.051 1 1 721 . 5 1 1 A 80 80 VAL N N 80 124.677 122.952 1.725 1 1 722 . 5 1 1 A 81 81 CYS H H 81 8.795 8.495 0.300 1 1 723 . 5 1 1 A 81 81 CYS HA H 81 5.758 5.287 0.471 1 1 726 . 5 1 1 A 81 81 CYS C C 81 173.980 173.795 0.185 1 1 727 . 5 1 1 A 81 81 CYS CA C 81 57.821 57.147 0.674 1 1 728 . 5 1 1 A 81 81 CYS CB C 81 30.043 30.471 -0.428 1 1 729 . 5 1 1 A 81 81 CYS N N 81 123.745 127.014 -3.269 1 1 730 . 5 1 1 A 82 82 PHE H H 82 8.873 8.851 0.022 1 1 731 . 5 1 1 A 82 82 PHE HA H 82 4.532 5.587 -1.055 1 1 735 . 5 1 1 A 82 82 PHE C C 82 171.090 172.580 -1.490 1 1 736 . 5 1 1 A 82 82 PHE CA C 82 56.367 55.621 0.746 1 1 737 . 5 1 1 A 82 82 PHE CB C 82 40.091 42.241 -2.150 1 1 738 . 5 1 1 A 82 82 PHE N N 82 117.718 122.283 -4.565 1 1 739 . 5 1 1 A 83 83 SER H H 83 8.038 8.964 -0.926 1 1 740 . 5 1 1 A 83 83 SER HA H 83 5.204 4.740 0.464 1 1 743 . 5 1 1 A 83 83 SER C C 83 178.547 174.700 3.847 1 1 744 . 5 1 1 A 83 83 SER CA C 83 55.000 57.949 -2.949 1 1 745 . 5 1 1 A 83 83 SER CB C 83 63.051 64.636 -1.585 1 1 746 . 5 1 1 A 83 83 SER N N 83 113.246 116.396 -3.150 1 1 747 . 5 1 1 A 84 84 VAL H H 84 8.609 8.533 0.076 1 1 748 . 5 1 1 A 84 84 VAL HA H 84 4.261 4.519 -0.258 1 1 756 . 5 1 1 A 84 84 VAL C C 84 175.783 177.117 -1.334 1 1 757 . 5 1 1 A 84 84 VAL CA C 84 63.745 63.169 0.576 1 1 758 . 5 1 1 A 84 84 VAL CB C 84 29.811 32.660 -2.849 1 1 760 . 5 1 1 A 84 84 VAL N N 84 120.609 125.699 -5.090 1 1 761 . 5 1 1 A 85 85 VAL H H 85 7.653 7.748 -0.095 1 1 762 . 5 1 1 A 85 85 VAL HA H 85 4.508 4.151 0.357 1 1 767 . 5 1 1 A 85 85 VAL C C 85 173.401 175.598 -2.197 1 1 768 . 5 1 1 A 85 85 VAL CA C 85 59.998 64.571 -4.573 1 1 769 . 5 1 1 A 85 85 VAL CB C 85 29.718 32.458 -2.740 1 1 772 . 5 1 1 A 85 85 VAL N N 85 107.920 119.478 -11.558 1 1 773 . 5 1 1 A 86 86 SER H H 86 7.792 7.959 -0.167 1 1 774 . 5 1 1 A 86 86 SER HA H 86 5.200 4.897 0.303 1 1 777 . 5 1 1 A 86 86 SER CA C 86 53.848 55.460 -1.612 1 1 778 . 5 1 1 A 86 86 SER CB C 86 62.720 64.282 -1.562 1 1 779 . 5 1 1 A 86 86 SER N N 86 112.608 116.772 -4.164 1 1 780 . 5 1 1 A 87 87 PRO C C 87 178.275 178.204 0.071 1 1 781 . 5 1 1 A 87 87 PRO CA C 87 65.655 65.270 0.385 1 1 782 . 5 1 1 A 87 87 PRO CB C 87 31.961 31.915 0.046 1 1 783 . 5 1 1 A 88 88 SER H H 88 8.928 8.331 0.597 1 1 784 . 5 1 1 A 88 88 SER HA H 88 4.783 4.190 0.593 1 1 787 . 5 1 1 A 88 88 SER C C 88 176.192 176.842 -0.650 1 1 788 . 5 1 1 A 88 88 SER CA C 88 61.630 61.353 0.277 1 1 789 . 5 1 1 A 88 88 SER CB C 88 71.811 62.265 9.546 1 1 790 . 5 1 1 A 88 88 SER N N 88 113.475 113.096 0.379 1 1 791 . 5 1 1 A 89 89 SER H H 89 8.022 8.525 -0.503 1 1 792 . 5 1 1 A 89 89 SER HA H 89 5.047 4.347 0.700 1 1 795 . 5 1 1 A 89 89 SER C C 89 176.417 176.731 -0.314 1 1 796 . 5 1 1 A 89 89 SER CA C 89 61.352 60.605 0.747 1 1 797 . 5 1 1 A 89 89 SER CB C 89 63.930 63.096 0.834 1 1 798 . 5 1 1 A 89 89 SER N N 89 120.789 116.547 4.242 1 1 799 . 5 1 1 A 90 90 PHE H H 90 7.454 8.246 -0.792 1 1 800 . 5 1 1 A 90 90 PHE HA H 90 3.967 3.984 -0.017 1 1 804 . 5 1 1 A 90 90 PHE C C 90 177.387 177.875 -0.488 1 1 805 . 5 1 1 A 90 90 PHE CA C 90 59.945 60.903 -0.958 1 1 806 . 5 1 1 A 90 90 PHE CB C 90 39.365 39.122 0.243 1 1 807 . 5 1 1 A 90 90 PHE N N 90 124.950 123.907 1.043 1 1 808 . 5 1 1 A 91 91 GLU H H 91 8.245 8.185 0.060 1 1 809 . 5 1 1 A 91 91 GLU HA H 91 3.921 3.960 -0.039 1 1 811 . 5 1 1 A 91 91 GLU C C 91 179.695 179.168 0.527 1 1 812 . 5 1 1 A 91 91 GLU CA C 91 59.102 59.614 -0.512 1 1 813 . 5 1 1 A 91 91 GLU CB C 91 28.437 29.260 -0.823 1 1 815 . 5 1 1 A 91 91 GLU N N 91 119.953 118.050 1.903 1 1 816 . 5 1 1 A 92 92 ASN H H 92 8.106 8.222 -0.116 1 1 817 . 5 1 1 A 92 92 ASN HA H 92 4.760 4.254 0.506 1 1 821 . 5 1 1 A 92 92 ASN C C 92 178.593 177.425 1.168 1 1 822 . 5 1 1 A 92 92 ASN CA C 92 54.635 56.334 -1.699 1 1 823 . 5 1 1 A 92 92 ASN CB C 92 37.879 38.103 -0.224 1 1 824 . 5 1 1 A 92 92 ASN N N 92 114.315 117.768 -3.453 1 1 826 . 5 1 1 A 93 93 VAL H H 93 7.883 7.411 0.472 1 1 827 . 5 1 1 A 93 93 VAL HA H 93 3.738 2.503 1.235 1 1 835 . 5 1 1 A 93 93 VAL C C 93 174.932 178.238 -3.306 1 1 836 . 5 1 1 A 93 93 VAL CA C 93 68.395 66.495 1.900 1 1 837 . 5 1 1 A 93 93 VAL CB C 93 30.596 30.937 -0.341 1 1 839 . 5 1 1 A 93 93 VAL N N 93 124.067 120.156 3.911 1 1 840 . 5 1 1 A 94 94 LYS H H 94 6.590 7.869 -1.279 1 1 841 . 5 1 1 A 94 94 LYS HA H 94 3.902 3.980 -0.078 1 1 846 . 5 1 1 A 94 94 LYS C C 94 176.885 179.159 -2.274 1 1 847 . 5 1 1 A 94 94 LYS CA C 94 58.135 59.018 -0.883 1 1 848 . 5 1 1 A 94 94 LYS CB C 94 33.163 32.288 0.875 1 1 851 . 5 1 1 A 94 94 LYS N N 94 115.269 119.675 -4.406 1 1 852 . 5 1 1 A 95 95 GLU H H 95 7.719 8.385 -0.666 1 1 853 . 5 1 1 A 95 95 GLU HA H 95 4.089 4.085 0.004 1 1 857 . 5 1 1 A 95 95 GLU C C 95 176.252 177.715 -1.463 1 1 858 . 5 1 1 A 95 95 GLU CA C 95 57.564 58.745 -1.181 1 1 859 . 5 1 1 A 95 95 GLU CB C 95 30.353 29.782 0.571 1 1 861 . 5 1 1 A 95 95 GLU N N 95 112.466 119.349 -6.883 1 1 862 . 5 1 1 A 96 96 LYS H H 96 8.063 7.729 0.334 1 1 863 . 5 1 1 A 96 96 LYS HA H 96 4.250 4.468 -0.218 1 1 867 . 5 1 1 A 96 96 LYS C C 96 177.781 178.869 -1.088 1 1 868 . 5 1 1 A 96 96 LYS CA C 96 57.343 57.883 -0.540 1 1 869 . 5 1 1 A 96 96 LYS CB C 96 35.190 34.261 0.929 1 1 873 . 5 1 1 A 96 96 LYS N N 96 115.613 118.726 -3.113 1 1 874 . 5 1 1 A 97 97 TRP H H 97 7.786 7.874 -0.088 1 1 875 . 5 1 1 A 97 97 TRP HA H 97 4.390 4.459 -0.069 1 1 879 . 5 1 1 A 97 97 TRP C C 97 178.500 179.016 -0.516 1 1 880 . 5 1 1 A 97 97 TRP CA C 97 60.831 60.037 0.794 1 1 881 . 5 1 1 A 97 97 TRP CB C 97 30.818 29.374 1.444 1 1 882 . 5 1 1 A 97 97 TRP N N 97 119.643 120.696 -1.053 1 1 884 . 5 1 1 A 98 98 VAL H H 98 8.604 8.041 0.563 1 1 885 . 5 1 1 A 98 98 VAL HA H 98 3.542 3.679 -0.137 1 1 890 . 5 1 1 A 98 98 VAL CA C 98 68.434 67.668 0.766 1 1 891 . 5 1 1 A 98 98 VAL CB C 98 28.357 29.524 -1.167 1 1 892 . 5 1 1 A 98 98 VAL N N 98 116.894 119.958 -3.064 1 1 893 . 5 1 1 A 99 99 PRO HA H 99 3.932 4.259 -0.327 1 1 895 . 5 1 1 A 99 99 PRO C C 99 177.438 178.819 -1.381 1 1 896 . 5 1 1 A 99 99 PRO CA C 99 66.615 66.336 0.279 1 1 897 . 5 1 1 A 99 99 PRO CB C 99 30.600 30.596 0.004 1 1 899 . 5 1 1 A 100 100 GLU H H 100 7.538 8.217 -0.679 1 1 900 . 5 1 1 A 100 100 GLU HA H 100 4.219 4.151 0.068 1 1 902 . 5 1 1 A 100 100 GLU C C 100 178.891 179.210 -0.319 1 1 903 . 5 1 1 A 100 100 GLU CA C 100 60.795 59.606 1.189 1 1 904 . 5 1 1 A 100 100 GLU CB C 100 29.919 29.309 0.610 1 1 906 . 5 1 1 A 100 100 GLU N N 100 116.622 117.706 -1.084 1 1 907 . 5 1 1 A 101 101 ILE H H 101 8.331 7.458 0.873 1 1 908 . 5 1 1 A 101 101 ILE HA H 101 3.598 3.810 -0.212 1 1 909 . 5 1 1 A 101 101 ILE C C 101 177.812 178.263 -0.451 1 1 910 . 5 1 1 A 101 101 ILE CA C 101 66.106 64.532 1.574 1 1 911 . 5 1 1 A 101 101 ILE CB C 101 35.806 36.879 -1.073 1 1 913 . 5 1 1 A 101 101 ILE N N 101 113.806 120.508 -6.702 1 1 914 . 5 1 1 A 102 102 THR H H 102 7.881 7.839 0.042 1 1 915 . 5 1 1 A 102 102 THR HA H 102 3.849 3.876 -0.027 1 1 917 . 5 1 1 A 102 102 THR C C 102 175.953 176.306 -0.353 1 1 918 . 5 1 1 A 102 102 THR CA C 102 64.979 66.713 -1.734 1 1 919 . 5 1 1 A 102 102 THR CB C 102 69.609 68.647 0.962 1 1 920 . 5 1 1 A 102 102 THR N N 102 112.542 117.900 -5.358 1 1 921 . 5 1 1 A 103 103 HIS H H 103 7.598 7.359 0.239 1 1 922 . 5 1 1 A 103 103 HIS HA H 103 4.217 4.106 0.111 1 1 924 . 5 1 1 A 103 103 HIS C C 103 176.414 176.378 0.036 1 1 925 . 5 1 1 A 103 103 HIS CA C 103 58.531 59.211 -0.680 1 1 926 . 5 1 1 A 103 103 HIS CB C 103 28.397 29.710 -1.313 1 1 927 . 5 1 1 A 103 103 HIS N N 103 118.843 121.377 -2.534 1 1 928 . 5 1 1 A 104 104 HIS H H 104 7.405 7.678 -0.273 1 1 929 . 5 1 1 A 104 104 HIS HA H 104 4.164 4.487 -0.323 1 1 932 . 5 1 1 A 104 104 HIS C C 104 176.660 175.300 1.360 1 1 933 . 5 1 1 A 104 104 HIS CA C 104 59.641 55.504 4.137 1 1 934 . 5 1 1 A 104 104 HIS CB C 104 33.363 30.219 3.144 1 1 935 . 5 1 1 A 104 104 HIS N N 104 113.791 112.046 1.745 1 1 936 . 5 1 1 A 105 105 CYS H H 105 8.530 8.068 0.462 1 1 937 . 5 1 1 A 105 105 CYS HA H 105 5.015 4.406 0.609 1 1 940 . 5 1 1 A 105 105 CYS CA C 105 56.219 61.368 -5.149 1 1 941 . 5 1 1 A 105 105 CYS N N 105 117.178 116.965 0.213 1 1 942 . 5 1 1 A 106 106 PRO HA H 106 4.477 4.774 -0.297 1 1 945 . 5 1 1 A 106 106 PRO C C 106 177.961 177.248 0.713 1 1 946 . 5 1 1 A 106 106 PRO CA C 106 64.735 63.529 1.206 1 1 947 . 5 1 1 A 106 106 PRO CB C 106 31.961 30.806 1.155 1 1 949 . 5 1 1 A 107 107 LYS H H 107 8.769 8.812 -0.043 1 1 950 . 5 1 1 A 107 107 LYS HA H 107 4.771 4.080 0.691 1 1 955 . 5 1 1 A 107 107 LYS CA C 107 55.895 58.899 -3.004 1 1 956 . 5 1 1 A 107 107 LYS CB C 107 31.160 32.671 -1.511 1 1 957 . 5 1 1 A 107 107 LYS N N 107 116.131 121.144 -5.013 1 1 958 . 5 1 1 A 108 108 THR H H 108 7.586 7.585 0.001 1 1 959 . 5 1 1 A 108 108 THR N N 108 121.415 110.110 11.305 1 1 960 . 5 1 1 A 109 109 PRO HA H 109 4.529 4.770 -0.241 1 1 963 . 5 1 1 A 109 109 PRO C C 109 174.846 175.422 -0.576 1 1 964 . 5 1 1 A 109 109 PRO CA C 109 62.495 62.322 0.173 1 1 965 . 5 1 1 A 109 109 PRO CB C 109 33.563 32.887 0.676 1 1 968 . 5 1 1 A 110 110 PHE H H 110 8.165 8.891 -0.726 1 1 969 . 5 1 1 A 110 110 PHE HA H 110 5.929 5.296 0.633 1 1 971 . 5 1 1 A 110 110 PHE C C 110 172.666 174.294 -1.628 1 1 972 . 5 1 1 A 110 110 PHE CA C 110 54.448 56.287 -1.839 1 1 973 . 5 1 1 A 110 110 PHE CB C 110 43.554 41.958 1.596 1 1 974 . 5 1 1 A 110 110 PHE N N 110 112.128 120.916 -8.788 1 1 975 . 5 1 1 A 111 111 LEU H H 111 8.633 8.673 -0.040 1 1 976 . 5 1 1 A 111 111 LEU HA H 111 4.694 5.283 -0.589 1 1 979 . 5 1 1 A 111 111 LEU C C 111 175.472 174.687 0.785 1 1 980 . 5 1 1 A 111 111 LEU CA C 111 54.212 53.584 0.628 1 1 981 . 5 1 1 A 111 111 LEU CB C 111 43.831 45.501 -1.670 1 1 984 . 5 1 1 A 111 111 LEU N N 111 119.654 124.517 -4.863 1 1 985 . 5 1 1 A 112 112 LEU H H 112 8.061 9.102 -1.041 1 1 986 . 5 1 1 A 112 112 LEU HA H 112 5.363 5.364 -0.001 1 1 992 . 5 1 1 A 112 112 LEU C C 112 173.631 176.202 -2.571 1 1 993 . 5 1 1 A 112 112 LEU CA C 112 53.826 53.481 0.345 1 1 994 . 5 1 1 A 112 112 LEU CB C 112 44.182 42.840 1.342 1 1 996 . 5 1 1 A 112 112 LEU N N 112 121.946 128.527 -6.581 1 1 997 . 5 1 1 A 113 113 VAL H H 113 9.178 9.073 0.105 1 1 998 . 5 1 1 A 113 113 VAL HA H 113 4.878 5.110 -0.232 1 1 1006 . 5 1 1 A 113 113 VAL C C 113 174.300 175.418 -1.118 1 1 1007 . 5 1 1 A 113 113 VAL CA C 113 59.695 60.755 -1.060 1 1 1008 . 5 1 1 A 113 113 VAL CB C 113 33.323 34.646 -1.323 1 1 1011 . 5 1 1 A 113 113 VAL N N 113 125.807 126.065 -0.258 1 1 1012 . 5 1 1 A 114 114 GLY H H 114 8.731 9.503 -0.772 1 1 1013 . 5 1 1 A 114 114 GLY HA2 H 114 3.688 3.760 -0.072 1 1 1014 . 5 1 1 A 114 114 GLY HA3 H 114 3.270 4.118 -0.848 1 1 1015 . 5 1 1 A 114 114 GLY C C 114 173.360 172.939 0.421 1 1 1016 . 5 1 1 A 114 114 GLY CA C 114 44.195 44.944 -0.749 1 1 1017 . 5 1 1 A 114 114 GLY N N 114 115.079 115.207 -0.128 1 1 1018 . 5 1 1 A 115 115 THR H H 115 9.181 7.760 1.421 1 1 1019 . 5 1 1 A 115 115 THR HA H 115 4.969 4.780 0.189 1 1 1024 . 5 1 1 A 115 115 THR C C 115 175.355 174.129 1.226 1 1 1025 . 5 1 1 A 115 115 THR CA C 115 59.375 61.209 -1.834 1 1 1026 . 5 1 1 A 115 115 THR CB C 115 70.530 70.247 0.283 1 1 1028 . 5 1 1 A 115 115 THR N N 115 115.613 120.748 -5.135 1 1 1029 . 5 1 1 A 116 116 GLN H H 116 9.380 8.794 0.586 1 1 1030 . 5 1 1 A 116 116 GLN HA H 116 3.983 3.878 0.105 1 1 1033 . 5 1 1 A 116 116 GLN C C 116 179.110 176.620 2.490 1 1 1034 . 5 1 1 A 116 116 GLN CA C 116 56.195 56.601 -0.406 1 1 1035 . 5 1 1 A 116 116 GLN CB C 116 23.911 26.209 -2.298 1 1 1037 . 5 1 1 A 116 116 GLN N N 116 108.468 120.316 -11.848 1 1 1038 . 5 1 1 A 117 117 ILE H H 117 7.635 7.873 -0.238 1 1 1039 . 5 1 1 A 117 117 ILE HA H 117 3.814 3.953 -0.139 1 1 1042 . 5 1 1 A 117 117 ILE C C 117 178.002 176.852 1.150 1 1 1043 . 5 1 1 A 117 117 ILE CA C 117 64.828 63.358 1.470 1 1 1044 . 5 1 1 A 117 117 ILE CB C 117 36.327 37.550 -1.223 1 1 1047 . 5 1 1 A 118 118 ASP H H 118 8.732 8.161 0.571 1 1 1048 . 5 1 1 A 118 118 ASP HA H 118 4.468 4.519 -0.051 1 1 1051 . 5 1 1 A 118 118 ASP C C 118 176.888 178.982 -2.094 1 1 1052 . 5 1 1 A 118 118 ASP CA C 118 55.527 56.669 -1.142 1 1 1053 . 5 1 1 A 118 118 ASP CB C 118 40.482 40.489 -0.007 1 1 1054 . 5 1 1 A 118 118 ASP N N 118 119.049 121.326 -2.277 1 1 1055 . 5 1 1 A 119 119 LEU H H 119 7.914 7.696 0.218 1 1 1056 . 5 1 1 A 119 119 LEU HA H 119 4.332 3.995 0.337 1 1 1066 . 5 1 1 A 119 119 LEU C C 119 178.015 179.012 -0.997 1 1 1067 . 5 1 1 A 119 119 LEU CA C 119 55.388 57.699 -2.311 1 1 1068 . 5 1 1 A 119 119 LEU CB C 119 41.573 40.837 0.736 1 1 1071 . 5 1 1 A 119 119 LEU N N 119 117.783 120.311 -2.528 1 1 1072 . 5 1 1 A 120 120 ARG H H 120 7.256 7.903 -0.647 1 1 1073 . 5 1 1 A 120 120 ARG HA H 120 3.561 4.076 -0.515 1 1 1076 . 5 1 1 A 120 120 ARG C C 120 174.671 176.182 -1.511 1 1 1077 . 5 1 1 A 120 120 ARG CA C 120 60.041 59.049 0.992 1 1 1078 . 5 1 1 A 120 120 ARG CB C 120 30.079 29.868 0.211 1 1 1081 . 5 1 1 A 120 120 ARG N N 120 116.747 117.762 -1.015 1 1 1082 . 5 1 1 A 121 121 ASP H H 121 7.078 7.887 -0.809 1 1 1083 . 5 1 1 A 121 121 ASP HA H 121 4.802 4.854 -0.052 1 1 1086 . 5 1 1 A 121 121 ASP C C 121 175.364 174.531 0.833 1 1 1087 . 5 1 1 A 121 121 ASP CA C 121 52.775 52.668 0.107 1 1 1088 . 5 1 1 A 121 121 ASP CB C 121 41.372 41.691 -0.319 1 1 1089 . 5 1 1 A 121 121 ASP N N 121 111.544 119.301 -7.757 1 1 1090 . 5 1 1 A 122 122 ASP H H 122 7.246 7.693 -0.447 1 1 1091 . 5 1 1 A 122 122 ASP HA H 122 4.983 5.147 -0.164 1 1 1094 . 5 1 1 A 122 122 ASP CA C 122 51.575 50.720 0.855 1 1 1095 . 5 1 1 A 122 122 ASP CB C 122 43.576 42.078 1.498 1 1 1096 . 5 1 1 A 122 122 ASP N N 122 122.169 123.270 -1.101 1 1 1097 . 5 1 1 A 123 123 PRO HA H 123 4.132 4.349 -0.217 1 1 1100 . 5 1 1 A 123 123 PRO C C 123 178.982 177.741 1.241 1 1 1101 . 5 1 1 A 123 123 PRO CA C 123 65.824 65.215 0.609 1 1 1102 . 5 1 1 A 123 123 PRO CB C 123 32.041 31.811 0.230 1 1 1104 . 5 1 1 A 124 124 SER H H 124 8.333 7.919 0.414 1 1 1105 . 5 1 1 A 124 124 SER HA H 124 4.762 4.207 0.555 1 1 1108 . 5 1 1 A 124 124 SER C C 124 176.716 177.411 -0.695 1 1 1109 . 5 1 1 A 124 124 SER CA C 124 62.073 61.157 0.916 1 1 1110 . 5 1 1 A 124 124 SER CB C 124 62.373 63.008 -0.635 1 1 1111 . 5 1 1 A 124 124 SER N N 124 112.482 112.147 0.335 1 1 1112 . 5 1 1 A 125 125 THR H H 125 7.921 7.719 0.202 1 1 1113 . 5 1 1 A 125 125 THR HA H 125 4.658 3.966 0.692 1 1 1118 . 5 1 1 A 125 125 THR C C 125 175.789 176.508 -0.719 1 1 1119 . 5 1 1 A 125 125 THR CA C 125 67.686 66.964 0.722 1 1 1121 . 5 1 1 A 125 125 THR N N 125 121.820 117.571 4.249 1 1 1122 . 5 1 1 A 126 126 ILE H H 126 8.234 8.155 0.079 1 1 1123 . 5 1 1 A 126 126 ILE HA H 126 3.550 3.739 -0.189 1 1 1126 . 5 1 1 A 126 126 ILE C C 126 179.057 178.490 0.567 1 1 1127 . 5 1 1 A 126 126 ILE CA C 126 65.032 65.346 -0.314 1 1 1128 . 5 1 1 A 126 126 ILE CB C 126 37.064 37.698 -0.634 1 1 1132 . 5 1 1 A 126 126 ILE N N 126 121.486 120.773 0.713 1 1 1133 . 5 1 1 A 127 127 GLU H H 127 8.240 8.312 -0.072 1 1 1134 . 5 1 1 A 127 127 GLU HA H 127 4.165 3.965 0.200 1 1 1136 . 5 1 1 A 127 127 GLU C C 127 177.025 179.123 -2.098 1 1 1137 . 5 1 1 A 127 127 GLU CA C 127 59.326 59.711 -0.385 1 1 1138 . 5 1 1 A 127 127 GLU CB C 127 29.330 28.958 0.372 1 1 1140 . 5 1 1 A 127 127 GLU N N 127 120.249 121.461 -1.212 1 1 1141 . 5 1 1 A 128 128 LYS H H 128 7.919 7.578 0.341 1 1 1142 . 5 1 1 A 128 128 LYS HA H 128 3.978 4.070 -0.092 1 1 1146 . 5 1 1 A 128 128 LYS C C 128 179.838 179.345 0.493 1 1 1147 . 5 1 1 A 128 128 LYS CA C 128 59.938 59.635 0.303 1 1 1148 . 5 1 1 A 128 128 LYS CB C 128 31.691 32.436 -0.745 1 1 1152 . 5 1 1 A 128 128 LYS N N 128 120.679 119.456 1.223 1 1 1153 . 5 1 1 A 129 129 LEU H H 129 8.142 8.177 -0.035 1 1 1154 . 5 1 1 A 129 129 LEU HA H 129 4.128 4.160 -0.032 1 1 1160 . 5 1 1 A 129 129 LEU C C 129 179.701 179.111 0.590 1 1 1161 . 5 1 1 A 129 129 LEU CA C 129 57.904 57.508 0.396 1 1 1162 . 5 1 1 A 129 129 LEU CB C 129 41.674 40.830 0.844 1 1 1165 . 5 1 1 A 129 129 LEU N N 129 118.553 119.465 -0.912 1 1 1166 . 5 1 1 A 130 130 ALA H H 130 8.493 9.045 -0.552 1 1 1167 . 5 1 1 A 130 130 ALA HA H 130 4.286 3.927 0.359 1 1 1171 . 5 1 1 A 130 130 ALA C C 130 182.027 179.557 2.470 1 1 1172 . 5 1 1 A 130 130 ALA CA C 130 55.358 55.501 -0.143 1 1 1173 . 5 1 1 A 130 130 ALA CB C 130 17.069 18.285 -1.216 1 1 1174 . 5 1 1 A 130 130 ALA N N 130 122.578 121.438 1.140 1 1 1175 . 5 1 1 A 131 131 LYS H H 131 8.065 7.589 0.476 1 1 1176 . 5 1 1 A 131 131 LYS HA H 131 4.124 3.974 0.150 1 1 1180 . 5 1 1 A 131 131 LYS C C 131 177.085 178.235 -1.150 1 1 1181 . 5 1 1 A 131 131 LYS CA C 131 59.093 59.441 -0.348 1 1 1182 . 5 1 1 A 131 131 LYS CB C 131 31.782 32.145 -0.363 1 1 1186 . 5 1 1 A 131 131 LYS N N 131 120.347 118.664 1.683 1 1 1187 . 5 1 1 A 132 132 ASN H H 132 7.414 8.023 -0.609 1 1 1188 . 5 1 1 A 132 132 ASN HA H 132 4.983 4.820 0.163 1 1 1193 . 5 1 1 A 132 132 ASN C C 132 173.584 174.595 -1.011 1 1 1194 . 5 1 1 A 132 132 ASN CA C 132 52.195 52.856 -0.661 1 1 1195 . 5 1 1 A 132 132 ASN CB C 132 39.210 38.650 0.560 1 1 1196 . 5 1 1 A 132 132 ASN N N 132 115.667 114.474 1.193 1 1 1198 . 5 1 1 A 133 133 LYS H H 133 8.105 8.212 -0.107 1 1 1199 . 5 1 1 A 133 133 LYS HA H 133 3.956 3.920 0.036 1 1 1204 . 5 1 1 A 133 133 LYS C C 133 175.311 175.050 0.261 1 1 1205 . 5 1 1 A 133 133 LYS CA C 133 57.317 57.329 -0.012 1 1 1206 . 5 1 1 A 133 133 LYS CB C 133 28.397 31.154 -2.757 1 1 1210 . 5 1 1 A 133 133 LYS N N 133 113.900 118.677 -4.777 1 1 1211 . 5 1 1 A 134 134 GLN H H 134 8.107 7.150 0.957 1 1 1212 . 5 1 1 A 134 134 GLN HA H 134 4.777 4.903 -0.126 1 1 1218 . 5 1 1 A 134 134 GLN C C 134 174.870 174.285 0.585 1 1 1219 . 5 1 1 A 134 134 GLN CA C 134 53.890 54.418 -0.528 1 1 1220 . 5 1 1 A 134 134 GLN CB C 134 33.095 32.309 0.786 1 1 1222 . 5 1 1 A 134 134 GLN N N 134 116.006 117.600 -1.594 1 1 1224 . 5 1 1 A 135 135 LYS H H 135 7.974 8.795 -0.821 1 1 1225 . 5 1 1 A 135 135 LYS CA C 135 54.077 53.197 0.880 1 1 1226 . 5 1 1 A 135 135 LYS CB C 135 33.433 34.517 -1.084 1 1 1227 . 5 1 1 A 135 135 LYS N N 135 118.646 121.923 -3.277 1 1 1228 . 5 1 1 A 136 136 PRO HA H 136 4.378 4.447 -0.069 1 1 1232 . 5 1 1 A 136 136 PRO C C 136 174.976 176.834 -1.858 1 1 1233 . 5 1 1 A 136 136 PRO CA C 136 62.255 62.953 -0.698 1 1 1234 . 5 1 1 A 136 136 PRO CB C 136 32.147 31.946 0.201 1 1 1237 . 5 1 1 A 137 137 ILE H H 137 9.147 7.983 1.164 1 1 1238 . 5 1 1 A 137 137 ILE HA H 137 3.918 4.340 -0.422 1 1 1245 . 5 1 1 A 137 137 ILE C C 137 176.126 176.691 -0.565 1 1 1246 . 5 1 1 A 137 137 ILE CA C 137 59.969 60.708 -0.739 1 1 1247 . 5 1 1 A 137 137 ILE CB C 137 36.848 39.058 -2.210 1 1 1248 . 5 1 1 A 137 137 ILE N N 137 122.234 123.002 -0.768 1 1 1249 . 5 1 1 A 138 138 THR H H 138 7.993 8.954 -0.961 1 1 1250 . 5 1 1 A 138 138 THR HA H 138 4.765 4.955 -0.190 1 1 1255 . 5 1 1 A 138 138 THR CA C 138 59.171 59.831 -0.660 1 1 1256 . 5 1 1 A 138 138 THR CB C 138 68.488 69.123 -0.635 1 1 1257 . 5 1 1 A 138 138 THR N N 138 118.389 118.233 0.156 1 1 1258 . 5 1 1 A 139 139 PRO HA H 139 4.071 4.325 -0.254 1 1 1261 . 5 1 1 A 139 139 PRO C C 139 177.838 178.836 -0.998 1 1 1262 . 5 1 1 A 139 139 PRO CA C 139 65.575 65.561 0.014 1 1 1263 . 5 1 1 A 139 139 PRO CB C 139 31.401 32.028 -0.627 1 1 1265 . 5 1 1 A 140 140 GLU H H 140 8.569 8.501 0.068 1 1 1266 . 5 1 1 A 140 140 GLU HA H 140 3.000 4.083 -1.083 1 1 1270 . 5 1 1 A 140 140 GLU C C 140 179.357 178.783 0.574 1 1 1271 . 5 1 1 A 140 140 GLU CA C 140 60.137 59.404 0.733 1 1 1272 . 5 1 1 A 140 140 GLU CB C 140 28.357 29.410 -1.053 1 1 1273 . 5 1 1 A 140 140 GLU N N 140 114.648 117.533 -2.885 1 1 1274 . 5 1 1 A 141 141 THR H H 141 7.579 7.864 -0.285 1 1 1275 . 5 1 1 A 141 141 THR HA H 141 3.811 4.231 -0.420 1 1 1280 . 5 1 1 A 141 141 THR C C 141 176.395 177.356 -0.961 1 1 1281 . 5 1 1 A 141 141 THR CA C 141 66.113 64.117 1.996 1 1 1282 . 5 1 1 A 141 141 THR CB C 141 68.569 68.364 0.205 1 1 1284 . 5 1 1 A 141 141 THR N N 141 118.215 113.696 4.519 1 1 1285 . 5 1 1 A 142 142 ALA H H 142 7.562 8.227 -0.665 1 1 1286 . 5 1 1 A 142 142 ALA HA H 142 3.866 4.320 -0.454 1 1 1290 . 5 1 1 A 142 142 ALA C C 142 178.302 179.505 -1.203 1 1 1291 . 5 1 1 A 142 142 ALA CA C 142 55.332 55.347 -0.015 1 1 1292 . 5 1 1 A 142 142 ALA CB C 142 16.606 18.385 -1.779 1 1 1293 . 5 1 1 A 142 142 ALA N N 142 125.491 124.677 0.814 1 1 1294 . 5 1 1 A 143 143 GLU H H 143 8.787 8.292 0.495 1 1 1295 . 5 1 1 A 143 143 GLU HA H 143 3.742 3.471 0.271 1 1 1298 . 5 1 1 A 143 143 GLU C C 143 179.077 178.785 0.292 1 1 1299 . 5 1 1 A 143 143 GLU CA C 143 59.590 58.769 0.821 1 1 1300 . 5 1 1 A 143 143 GLU CB C 143 28.998 29.092 -0.094 1 1 1302 . 5 1 1 A 143 143 GLU N N 143 117.991 118.632 -0.641 1 1 1303 . 5 1 1 A 144 144 LYS H H 144 7.313 7.301 0.012 1 1 1304 . 5 1 1 A 144 144 LYS HA H 144 3.950 3.966 -0.016 1 1 1307 . 5 1 1 A 144 144 LYS C C 144 177.781 179.296 -1.515 1 1 1308 . 5 1 1 A 144 144 LYS CA C 144 59.370 59.655 -0.285 1 1 1309 . 5 1 1 A 144 144 LYS CB C 144 31.718 32.371 -0.653 1 1 1313 . 5 1 1 A 144 144 LYS N N 144 118.815 119.628 -0.813 1 1 1314 . 5 1 1 A 145 145 LEU H H 145 7.326 7.650 -0.324 1 1 1315 . 5 1 1 A 145 145 LEU HA H 145 4.153 4.040 0.113 1 1 1324 . 5 1 1 A 145 145 LEU C C 145 178.162 178.546 -0.384 1 1 1325 . 5 1 1 A 145 145 LEU CA C 145 57.834 57.691 0.143 1 1 1326 . 5 1 1 A 145 145 LEU CB C 145 40.432 41.050 -0.618 1 1 1329 . 5 1 1 A 145 145 LEU N N 145 119.589 121.324 -1.735 1 1 1330 . 5 1 1 A 146 146 ALA H H 146 8.482 7.536 0.946 1 1 1331 . 5 1 1 A 146 146 ALA HA H 146 3.705 4.028 -0.323 1 1 1335 . 5 1 1 A 146 146 ALA C C 146 178.574 179.346 -0.772 1 1 1336 . 5 1 1 A 146 146 ALA CA C 146 55.543 55.176 0.367 1 1 1337 . 5 1 1 A 146 146 ALA CB C 146 17.663 18.092 -0.429 1 1 1338 . 5 1 1 A 146 146 ALA N N 146 118.809 120.484 -1.675 1 1 1339 . 5 1 1 A 147 147 ARG H H 147 7.714 7.944 -0.230 1 1 1340 . 5 1 1 A 147 147 ARG HA H 147 4.175 4.261 -0.086 1 1 1344 . 5 1 1 A 147 147 ARG C C 147 180.165 176.660 3.505 1 1 1345 . 5 1 1 A 147 147 ARG CA C 147 58.995 57.705 1.290 1 1 1346 . 5 1 1 A 147 147 ARG CB C 147 29.657 29.819 -0.162 1 1 1349 . 5 1 1 A 147 147 ARG N N 147 116.011 116.802 -0.791 1 1 1350 . 5 1 1 A 148 148 ASP H H 148 8.461 7.748 0.713 1 1 1351 . 5 1 1 A 148 148 ASP HA H 148 4.324 4.718 -0.394 1 1 1354 . 5 1 1 A 148 148 ASP C C 148 178.284 177.359 0.925 1 1 1355 . 5 1 1 A 148 148 ASP CA C 148 57.501 55.198 2.303 1 1 1356 . 5 1 1 A 148 148 ASP CB C 148 40.172 42.273 -2.101 1 1 1357 . 5 1 1 A 148 148 ASP N N 148 121.913 117.200 4.713 1 1 1358 . 5 1 1 A 149 149 LEU H H 149 8.364 7.685 0.679 1 1 1359 . 5 1 1 A 149 149 LEU HA H 149 4.365 4.312 0.053 1 1 1368 . 5 1 1 A 149 149 LEU C C 149 174.985 175.808 -0.823 1 1 1369 . 5 1 1 A 149 149 LEU CA C 149 54.315 54.551 -0.236 1 1 1370 . 5 1 1 A 149 149 LEU CB C 149 41.373 41.849 -0.476 1 1 1373 . 5 1 1 A 149 149 LEU N N 149 115.324 116.715 -1.391 1 1 1374 . 5 1 1 A 150 150 LYS H H 150 7.624 7.927 -0.303 1 1 1375 . 5 1 1 A 150 150 LYS HA H 150 3.783 3.868 -0.085 1 1 1379 . 5 1 1 A 150 150 LYS C C 150 177.003 175.605 1.398 1 1 1380 . 5 1 1 A 150 150 LYS CA C 150 57.457 57.387 0.070 1 1 1381 . 5 1 1 A 150 150 LYS CB C 150 27.730 29.293 -1.563 1 1 1385 . 5 1 1 A 150 150 LYS N N 150 111.768 116.251 -4.483 1 1 1386 . 5 1 1 A 151 151 ALA H H 151 8.248 7.600 0.648 1 1 1387 . 5 1 1 A 151 151 ALA HA H 151 2.979 4.298 -1.319 1 1 1391 . 5 1 1 A 151 151 ALA C C 151 177.944 177.742 0.202 1 1 1392 . 5 1 1 A 151 151 ALA CA C 151 51.231 52.492 -1.261 1 1 1393 . 5 1 1 A 151 151 ALA CB C 151 19.707 19.671 0.036 1 1 1394 . 5 1 1 A 151 151 ALA N N 151 119.649 120.250 -0.601 1 1 1395 . 5 1 1 A 152 152 VAL H H 152 8.684 8.809 -0.125 1 1 1396 . 5 1 1 A 152 152 VAL HA H 152 3.478 3.932 -0.454 1 1 1404 . 5 1 1 A 152 152 VAL C C 152 176.367 176.400 -0.033 1 1 1405 . 5 1 1 A 152 152 VAL CA C 152 66.127 65.269 0.858 1 1 1406 . 5 1 1 A 152 152 VAL CB C 152 32.285 32.313 -0.028 1 1 1409 . 5 1 1 A 152 152 VAL N N 152 120.805 122.558 -1.753 1 1 1410 . 5 1 1 A 153 153 LYS H H 153 6.865 7.726 -0.861 1 1 1411 . 5 1 1 A 153 153 LYS HA H 153 4.344 4.944 -0.600 1 1 1416 . 5 1 1 A 153 153 LYS C C 153 172.951 174.524 -1.573 1 1 1417 . 5 1 1 A 153 153 LYS CA C 153 55.049 55.292 -0.243 1 1 1418 . 5 1 1 A 153 153 LYS CB C 153 34.332 37.227 -2.895 1 1 1422 . 5 1 1 A 153 153 LYS N N 153 108.179 118.365 -10.186 1 1 1423 . 5 1 1 A 154 154 TYR H H 154 8.606 8.751 -0.145 1 1 1424 . 5 1 1 A 154 154 TYR HA H 154 5.761 6.169 -0.408 1 1 1426 . 5 1 1 A 154 154 TYR C C 154 174.216 174.043 0.173 1 1 1427 . 5 1 1 A 154 154 TYR CA C 154 55.910 55.544 0.366 1 1 1428 . 5 1 1 A 154 154 TYR CB C 154 40.457 42.603 -2.146 1 1 1429 . 5 1 1 A 154 154 TYR N N 154 120.249 118.446 1.803 1 1 1430 . 5 1 1 A 155 155 VAL H H 155 8.271 8.997 -0.726 1 1 1431 . 5 1 1 A 155 155 VAL HA H 155 4.138 4.677 -0.539 1 1 1439 . 5 1 1 A 155 155 VAL C C 155 171.653 174.679 -3.026 1 1 1440 . 5 1 1 A 155 155 VAL CA C 155 58.344 60.211 -1.867 1 1 1441 . 5 1 1 A 155 155 VAL CB C 155 34.645 35.704 -1.059 1 1 1444 . 5 1 1 A 155 155 VAL N N 155 121.448 121.372 0.076 1 1 1445 . 5 1 1 A 156 156 GLU H H 156 8.030 8.721 -0.691 1 1 1446 . 5 1 1 A 156 156 GLU HA H 156 5.393 4.981 0.412 1 1 1449 . 5 1 1 A 156 156 GLU C C 156 175.890 175.661 0.229 1 1 1450 . 5 1 1 A 156 156 GLU CA C 156 53.775 55.602 -1.827 1 1 1451 . 5 1 1 A 156 156 GLU CB C 156 31.521 31.275 0.246 1 1 1453 . 5 1 1 A 156 156 GLU N N 156 113.147 125.872 -12.725 1 1 1454 . 5 1 1 A 157 157 CYS H H 157 8.838 9.460 -0.622 1 1 1455 . 5 1 1 A 157 157 CYS HA H 157 5.324 5.322 0.002 1 1 1458 . 5 1 1 A 157 157 CYS C C 157 171.554 172.748 -1.194 1 1 1459 . 5 1 1 A 157 157 CYS CA C 157 55.749 57.482 -1.733 1 1 1460 . 5 1 1 A 157 157 CYS CB C 157 32.041 31.171 0.870 1 1 1461 . 5 1 1 A 157 157 CYS N N 157 111.910 124.131 -12.221 1 1 1462 . 5 1 1 A 158 158 SER H H 158 8.277 8.851 -0.574 1 1 1463 . 5 1 1 A 158 158 SER HA H 158 5.211 4.870 0.341 1 1 1466 . 5 1 1 A 158 158 SER C C 158 176.246 175.146 1.100 1 1 1467 . 5 1 1 A 158 158 SER CA C 158 55.892 56.272 -0.380 1 1 1468 . 5 1 1 A 158 158 SER CB C 158 65.035 64.715 0.320 1 1 1469 . 5 1 1 A 158 158 SER N N 158 110.284 119.718 -9.434 1 1 1470 . 5 1 1 A 159 159 ALA H H 159 9.297 9.130 0.167 1 1 1471 . 5 1 1 A 159 159 ALA HA H 159 4.210 4.075 0.135 1 1 1475 . 5 1 1 A 159 159 ALA C C 159 177.030 179.509 -2.479 1 1 1476 . 5 1 1 A 159 159 ALA CA C 159 54.522 55.112 -0.590 1 1 1477 . 5 1 1 A 159 159 ALA CB C 159 18.828 18.259 0.569 1 1 1478 . 5 1 1 A 159 159 ALA N N 159 132.318 131.206 1.112 1 1 1479 . 5 1 1 A 160 160 LEU H H 160 7.361 7.905 -0.544 1 1 1480 . 5 1 1 A 160 160 LEU HA H 160 3.307 4.273 -0.966 1 1 1485 . 5 1 1 A 160 160 LEU C C 160 177.619 175.946 1.673 1 1 1486 . 5 1 1 A 160 160 LEU CA C 160 57.497 57.636 -0.139 1 1 1487 . 5 1 1 A 160 160 LEU CB C 160 43.255 42.075 1.180 1 1 1490 . 5 1 1 A 160 160 LEU N N 160 118.308 119.953 -1.645 1 1 1491 . 5 1 1 A 161 161 THR H H 161 8.109 8.078 0.031 1 1 1492 . 5 1 1 A 161 161 THR HA H 161 4.218 4.701 -0.483 1 1 1497 . 5 1 1 A 161 161 THR C C 161 176.064 174.952 1.112 1 1 1498 . 5 1 1 A 161 161 THR CA C 161 61.435 60.907 0.528 1 1 1499 . 5 1 1 A 161 161 THR CB C 161 69.809 71.407 -1.598 1 1 1501 . 5 1 1 A 161 161 THR N N 161 106.273 111.776 -5.503 1 1 1502 . 5 1 1 A 162 162 GLN H H 162 7.457 8.875 -1.418 1 1 1503 . 5 1 1 A 162 162 GLN HA H 162 3.923 4.232 -0.309 1 1 1509 . 5 1 1 A 162 162 GLN C C 162 174.988 176.889 -1.901 1 1 1510 . 5 1 1 A 162 162 GLN CA C 162 59.015 57.204 1.811 1 1 1511 . 5 1 1 A 162 162 GLN CB C 162 25.425 28.505 -3.080 1 1 1513 . 5 1 1 A 162 162 GLN N N 162 112.744 124.350 -11.606 1 1 1515 . 5 1 1 A 163 163 LYS H H 163 7.831 7.738 0.093 1 1 1516 . 5 1 1 A 163 163 LYS HA H 163 4.163 4.309 -0.146 1 1 1519 . 5 1 1 A 163 163 LYS C C 163 177.322 178.128 -0.806 1 1 1520 . 5 1 1 A 163 163 LYS CA C 163 58.055 56.984 1.071 1 1 1521 . 5 1 1 A 163 163 LYS CB C 163 32.041 32.334 -0.293 1 1 1525 . 5 1 1 A 163 163 LYS N N 163 124.132 119.083 5.049 1 1 1526 . 5 1 1 A 164 164 GLY H H 164 9.133 7.775 1.358 1 1 1527 . 5 1 1 A 164 164 GLY HA2 H 164 4.293 3.736 0.557 1 1 1528 . 5 1 1 A 164 164 GLY HA3 H 164 3.860 3.737 0.123 1 1 1529 . 5 1 1 A 164 164 GLY C C 164 174.825 175.229 -0.404 1 1 1530 . 5 1 1 A 164 164 GLY CA C 164 46.375 46.989 -0.614 1 1 1531 . 5 1 1 A 164 164 GLY N N 164 114.473 108.826 5.647 1 1 1532 . 5 1 1 A 165 165 LEU H H 165 7.400 8.261 -0.861 1 1 1533 . 5 1 1 A 165 165 LEU HA H 165 3.792 4.116 -0.324 1 1 1538 . 5 1 1 A 165 165 LEU C C 165 176.722 179.249 -2.527 1 1 1539 . 5 1 1 A 165 165 LEU CA C 165 58.737 57.838 0.899 1 1 1540 . 5 1 1 A 165 165 LEU CB C 165 43.498 41.400 2.098 1 1 1543 . 5 1 1 A 165 165 LEU N N 165 121.187 122.011 -0.824 1 1 1544 . 5 1 1 A 166 166 LYS H H 166 8.580 8.146 0.434 1 1 1545 . 5 1 1 A 166 166 LYS HA H 166 4.151 4.064 0.087 1 1 1548 . 5 1 1 A 166 166 LYS C C 166 179.204 178.648 0.556 1 1 1549 . 5 1 1 A 166 166 LYS CA C 166 60.208 59.491 0.717 1 1 1550 . 5 1 1 A 166 166 LYS CB C 166 31.801 32.017 -0.216 1 1 1554 . 5 1 1 A 166 166 LYS N N 166 116.769 118.366 -1.597 1 1 1555 . 5 1 1 A 167 167 ASN H H 167 8.125 8.101 0.024 1 1 1556 . 5 1 1 A 167 167 ASN HA H 167 4.349 4.531 -0.182 1 1 1559 . 5 1 1 A 167 167 ASN C C 167 175.612 177.856 -2.244 1 1 1560 . 5 1 1 A 167 167 ASN CA C 167 56.686 56.467 0.219 1 1 1561 . 5 1 1 A 167 167 ASN CB C 167 38.650 38.706 -0.056 1 1 1562 . 5 1 1 A 167 167 ASN N N 167 114.773 118.364 -3.591 1 1 1563 . 5 1 1 A 168 168 VAL H H 168 7.365 7.610 -0.245 1 1 1564 . 5 1 1 A 168 168 VAL HA H 168 2.910 3.857 -0.947 1 1 1569 . 5 1 1 A 168 168 VAL C C 168 175.770 178.084 -2.314 1 1 1570 . 5 1 1 A 168 168 VAL CA C 168 67.103 64.845 2.258 1 1 1571 . 5 1 1 A 168 168 VAL CB C 168 30.845 31.459 -0.614 1 1 1574 . 5 1 1 A 168 168 VAL N N 168 117.042 119.004 -1.962 1 1 1575 . 5 1 1 A 169 169 PHE H H 169 6.368 8.167 -1.799 1 1 1576 . 5 1 1 A 169 169 PHE HA H 169 3.751 4.152 -0.401 1 1 1579 . 5 1 1 A 169 169 PHE C C 169 178.202 177.046 1.156 1 1 1580 . 5 1 1 A 169 169 PHE CA C 169 61.975 61.312 0.663 1 1 1581 . 5 1 1 A 169 169 PHE CB C 169 38.990 39.144 -0.154 1 1 1582 . 5 1 1 A 169 169 PHE N N 169 113.983 122.499 -8.516 1 1 1583 . 5 1 1 A 170 170 ASP H H 170 7.906 8.508 -0.602 1 1 1584 . 5 1 1 A 170 170 ASP HA H 170 4.338 4.292 0.046 1 1 1586 . 5 1 1 A 170 170 ASP C C 170 178.596 178.910 -0.314 1 1 1587 . 5 1 1 A 170 170 ASP CA C 170 57.540 57.979 -0.439 1 1 1588 . 5 1 1 A 170 170 ASP CB C 170 39.481 41.691 -2.210 1 1 1589 . 5 1 1 A 170 170 ASP N N 170 120.793 119.258 1.535 1 1 1590 . 5 1 1 A 171 171 GLU H H 171 8.048 8.238 -0.190 1 1 1591 . 5 1 1 A 171 171 GLU HA H 171 3.989 4.022 -0.033 1 1 1594 . 5 1 1 A 171 171 GLU C C 171 179.405 178.606 0.799 1 1 1595 . 5 1 1 A 171 171 GLU CA C 171 58.130 59.321 -1.191 1 1 1596 . 5 1 1 A 171 171 GLU CB C 171 27.546 29.216 -1.670 1 1 1598 . 5 1 1 A 171 171 GLU N N 171 115.893 119.231 -3.338 1 1 1599 . 5 1 1 A 172 172 ALA H H 172 7.937 7.791 0.146 1 1 1600 . 5 1 1 A 172 172 ALA HA H 172 3.759 3.983 -0.224 1 1 1604 . 5 1 1 A 172 172 ALA C C 172 177.968 180.433 -2.465 1 1 1605 . 5 1 1 A 172 172 ALA CA C 172 55.395 55.093 0.302 1 1 1606 . 5 1 1 A 172 172 ALA CB C 172 17.084 17.970 -0.886 1 1 1607 . 5 1 1 A 172 172 ALA N N 172 123.733 121.689 2.044 1 1 1608 . 5 1 1 A 173 173 ILE H H 173 7.645 7.213 0.432 1 1 1609 . 5 1 1 A 173 173 ILE HA H 173 3.314 3.613 -0.299 1 1 1615 . 5 1 1 A 173 173 ILE C C 173 177.082 178.114 -1.032 1 1 1616 . 5 1 1 A 173 173 ILE CA C 173 65.755 64.304 1.451 1 1 1617 . 5 1 1 A 173 173 ILE CB C 173 37.448 37.847 -0.399 1 1 1621 . 5 1 1 A 173 173 ILE N N 173 116.213 118.732 -2.519 1 1 1622 . 5 1 1 A 174 174 LEU H H 174 7.703 7.593 0.110 1 1 1623 . 5 1 1 A 174 174 LEU HA H 174 3.760 3.955 -0.195 1 1 1629 . 5 1 1 A 174 174 LEU C C 174 179.847 178.244 1.603 1 1 1630 . 5 1 1 A 174 174 LEU CA C 174 58.049 57.950 0.099 1 1 1631 . 5 1 1 A 174 174 LEU CB C 174 40.973 41.203 -0.230 1 1 1634 . 5 1 1 A 174 174 LEU N N 174 116.496 121.142 -4.646 1 1 1635 . 5 1 1 A 175 175 ALA H H 175 7.927 8.283 -0.356 1 1 1636 . 5 1 1 A 175 175 ALA HA H 175 4.057 3.933 0.124 1 1 1640 . 5 1 1 A 175 175 ALA C C 175 178.605 179.646 -1.041 1 1 1641 . 5 1 1 A 175 175 ALA CA C 175 54.004 55.057 -1.053 1 1 1642 . 5 1 1 A 175 175 ALA CB C 175 18.464 18.287 0.177 1 1 1643 . 5 1 1 A 175 175 ALA N N 175 118.760 120.353 -1.593 1 1 1644 . 5 1 1 A 176 176 ALA H H 176 7.647 7.660 -0.013 1 1 1645 . 5 1 1 A 176 176 ALA HA H 176 4.035 4.074 -0.039 1 1 1649 . 5 1 1 A 176 176 ALA C C 176 178.284 179.889 -1.605 1 1 1650 . 5 1 1 A 176 176 ALA CA C 176 53.335 54.936 -1.601 1 1 1651 . 5 1 1 A 176 176 ALA CB C 176 18.985 18.321 0.664 1 1 1652 . 5 1 1 A 176 176 ALA N N 176 117.532 120.758 -3.226 1 1 1653 . 5 1 1 A 177 177 LEU H H 177 7.419 7.234 0.185 1 1 1654 . 5 1 1 A 177 177 LEU HA H 177 4.210 3.897 0.313 1 1 1658 . 5 1 1 A 177 177 LEU C C 177 174.091 176.448 -2.357 1 1 1659 . 5 1 1 A 177 177 LEU CA C 177 55.035 57.535 -2.500 1 1 1660 . 5 1 1 A 177 177 LEU CB C 177 42.340 41.852 0.488 1 1 1663 . 5 1 1 A 177 177 LEU N N 177 115.220 119.198 -3.978 1 1 9 . 6 1 1 A 2 2 GLN H H 2 8.458 8.557 -0.099 1 1 10 . 6 1 1 A 2 2 GLN HA H 2 4.330 4.188 0.142 1 1 17 . 6 1 1 A 2 2 GLN C C 2 176.274 175.810 0.464 1 1 18 . 6 1 1 A 2 2 GLN CA C 2 55.806 58.484 -2.678 1 1 19 . 6 1 1 A 2 2 GLN CB C 2 32.011 29.241 2.770 1 1 21 . 6 1 1 A 2 2 GLN N N 2 121.530 120.352 1.178 1 1 23 . 6 1 1 A 3 3 THR H H 3 7.618 7.647 -0.029 1 1 24 . 6 1 1 A 3 3 THR HA H 3 4.683 5.107 -0.424 1 1 29 . 6 1 1 A 3 3 THR C C 3 173.331 173.056 0.275 1 1 30 . 6 1 1 A 3 3 THR CA C 3 61.640 61.248 0.392 1 1 31 . 6 1 1 A 3 3 THR CB C 3 70.160 72.275 -2.115 1 1 33 . 6 1 1 A 3 3 THR N N 3 120.510 112.069 8.441 1 1 34 . 6 1 1 A 4 4 ILE H H 4 9.077 9.106 -0.029 1 1 35 . 6 1 1 A 4 4 ILE HA H 4 4.418 4.584 -0.166 1 1 38 . 6 1 1 A 4 4 ILE C C 4 173.824 174.613 -0.789 1 1 39 . 6 1 1 A 4 4 ILE CA C 4 59.775 60.205 -0.430 1 1 40 . 6 1 1 A 4 4 ILE CB C 4 40.441 39.857 0.584 1 1 44 . 6 1 1 A 4 4 ILE N N 4 127.486 125.352 2.134 1 1 45 . 6 1 1 A 5 5 LYS H H 5 10.666 8.529 2.137 1 1 46 . 6 1 1 A 5 5 LYS HA H 5 4.773 4.703 0.070 1 1 47 . 6 1 1 A 5 5 LYS C C 5 174.398 175.299 -0.901 1 1 48 . 6 1 1 A 5 5 LYS CA C 5 56.175 55.834 0.341 1 1 49 . 6 1 1 A 5 5 LYS CB C 5 31.965 33.397 -1.432 1 1 52 . 6 1 1 A 5 5 LYS N N 5 131.626 127.207 4.419 1 1 53 . 6 1 1 A 6 6 CYS H H 6 9.473 8.925 0.548 1 1 54 . 6 1 1 A 6 6 CYS HA H 6 5.580 5.037 0.543 1 1 57 . 6 1 1 A 6 6 CYS C C 6 172.210 172.903 -0.693 1 1 58 . 6 1 1 A 6 6 CYS CA C 6 56.195 56.687 -0.492 1 1 59 . 6 1 1 A 6 6 CYS CB C 6 28.604 30.040 -1.436 1 1 60 . 6 1 1 A 6 6 CYS N N 6 131.522 123.694 7.828 1 1 61 . 6 1 1 A 7 7 VAL H H 7 7.607 8.748 -1.141 1 1 62 . 6 1 1 A 7 7 VAL HA H 7 5.014 4.782 0.232 1 1 70 . 6 1 1 A 7 7 VAL C C 7 174.077 174.774 -0.697 1 1 71 . 6 1 1 A 7 7 VAL CA C 7 60.575 61.101 -0.526 1 1 72 . 6 1 1 A 7 7 VAL CB C 7 33.100 34.333 -1.233 1 1 74 . 6 1 1 A 7 7 VAL N N 7 128.326 126.974 1.352 1 1 75 . 6 1 1 A 8 8 VAL H H 8 8.566 8.709 -0.143 1 1 76 . 6 1 1 A 8 8 VAL HA H 8 4.784 4.943 -0.159 1 1 84 . 6 1 1 A 8 8 VAL C C 8 174.443 175.260 -0.817 1 1 85 . 6 1 1 A 8 8 VAL CA C 8 61.573 61.049 0.524 1 1 86 . 6 1 1 A 8 8 VAL CB C 8 32.367 34.092 -1.725 1 1 88 . 6 1 1 A 8 8 VAL N N 8 127.481 127.222 0.259 1 1 89 . 6 1 1 A 9 9 VAL H H 9 8.923 8.679 0.244 1 1 90 . 6 1 1 A 9 9 VAL HA H 9 4.419 4.672 -0.253 1 1 98 . 6 1 1 A 9 9 VAL C C 9 173.171 174.766 -1.595 1 1 99 . 6 1 1 A 9 9 VAL CA C 9 58.397 60.566 -2.169 1 1 100 . 6 1 1 A 9 9 VAL CB C 9 35.085 35.019 0.066 1 1 102 . 6 1 1 A 9 9 VAL N N 9 116.900 126.759 -9.859 1 1 103 . 6 1 1 A 10 10 GLY H H 10 6.267 8.795 -2.528 1 1 104 . 6 1 1 A 10 10 GLY HA2 H 10 4.159 4.418 -0.259 1 1 105 . 6 1 1 A 10 10 GLY HA3 H 10 1.722 4.467 -2.745 1 1 106 . 6 1 1 A 10 10 GLY C C 10 172.378 171.811 0.567 1 1 107 . 6 1 1 A 10 10 GLY CA C 10 42.935 44.567 -1.632 1 1 108 . 6 1 1 A 10 10 GLY N N 10 106.077 114.180 -8.103 1 1 109 . 6 1 1 A 11 11 ASP H H 11 8.399 8.798 -0.399 1 1 110 . 6 1 1 A 11 11 ASP HA H 11 4.737 5.045 -0.308 1 1 112 . 6 1 1 A 11 11 ASP C C 11 177.486 176.238 1.248 1 1 113 . 6 1 1 A 11 11 ASP CA C 11 55.635 53.827 1.808 1 1 114 . 6 1 1 A 11 11 ASP CB C 11 41.076 41.752 -0.676 1 1 115 . 6 1 1 A 11 11 ASP N N 11 119.142 122.267 -3.125 1 1 116 . 6 1 1 A 12 12 GLY H H 12 8.902 8.963 -0.061 1 1 117 . 6 1 1 A 12 12 GLY HA2 H 12 3.954 3.932 0.022 1 1 118 . 6 1 1 A 12 12 GLY HA3 H 12 3.718 3.935 -0.217 1 1 119 . 6 1 1 A 12 12 GLY C C 12 173.624 174.898 -1.274 1 1 120 . 6 1 1 A 12 12 GLY CA C 12 46.955 47.179 -0.224 1 1 121 . 6 1 1 A 12 12 GLY N N 12 104.688 113.492 -8.804 1 1 122 . 6 1 1 A 13 13 ALA H H 13 10.666 8.049 2.617 1 1 123 . 6 1 1 A 13 13 ALA HA H 13 4.067 4.486 -0.419 1 1 127 . 6 1 1 A 13 13 ALA CA C 13 53.455 51.871 1.584 1 1 128 . 6 1 1 A 13 13 ALA CB C 13 15.706 19.435 -3.729 1 1 129 . 6 1 1 A 13 13 ALA N N 13 123.135 121.594 1.541 1 1 130 . 6 1 1 A 14 14 VAL H H 14 7.663 8.697 -1.034 1 1 131 . 6 1 1 A 14 14 VAL HA H 14 4.146 3.722 0.424 1 1 132 . 6 1 1 A 14 14 VAL C C 14 175.007 177.413 -2.406 1 1 133 . 6 1 1 A 14 14 VAL CA C 14 62.015 66.315 -4.300 1 1 134 . 6 1 1 A 14 14 VAL N N 14 118.803 124.364 -5.561 1 1 135 . 6 1 1 A 15 15 GLY H H 15 8.686 8.105 0.581 1 1 136 . 6 1 1 A 15 15 GLY HA2 H 15 4.838 4.123 0.715 1 1 137 . 6 1 1 A 15 15 GLY HA3 H 15 4.312 4.124 0.188 1 1 138 . 6 1 1 A 15 15 GLY C C 15 175.934 175.141 0.793 1 1 139 . 6 1 1 A 15 15 GLY CA C 15 44.835 46.260 -1.425 1 1 140 . 6 1 1 A 15 15 GLY N N 15 110.360 108.670 1.690 1 1 141 . 6 1 1 A 16 16 LYS H H 16 10.352 7.798 2.554 1 1 142 . 6 1 1 A 16 16 LYS HA H 16 3.575 3.924 -0.349 1 1 143 . 6 1 1 A 16 16 LYS C C 16 176.582 178.828 -2.246 1 1 144 . 6 1 1 A 16 16 LYS CA C 16 60.695 58.752 1.943 1 1 145 . 6 1 1 A 16 16 LYS CB C 16 29.661 32.194 -2.533 1 1 146 . 6 1 1 A 16 16 LYS N N 16 125.835 121.850 3.985 1 1 147 . 6 1 1 A 17 17 THR H H 17 9.024 8.088 0.936 1 1 148 . 6 1 1 A 17 17 THR HA H 17 3.930 4.194 -0.264 1 1 153 . 6 1 1 A 17 17 THR C C 17 177.493 177.529 -0.036 1 1 154 . 6 1 1 A 17 17 THR CA C 17 66.984 65.207 1.777 1 1 155 . 6 1 1 A 17 17 THR CB C 17 67.298 68.296 -0.998 1 1 157 . 6 1 1 A 17 17 THR N N 17 118.089 113.987 4.102 1 1 158 . 6 1 1 A 18 18 CYS H H 18 9.773 8.236 1.537 1 1 159 . 6 1 1 A 18 18 CYS HA H 18 3.580 4.108 -0.528 1 1 162 . 6 1 1 A 18 18 CYS C C 18 176.716 177.115 -0.399 1 1 163 . 6 1 1 A 18 18 CYS CA C 18 65.816 63.501 2.315 1 1 164 . 6 1 1 A 18 18 CYS CB C 18 27.655 27.112 0.543 1 1 165 . 6 1 1 A 18 18 CYS N N 18 119.747 120.351 -0.604 1 1 166 . 6 1 1 A 19 19 LEU H H 19 8.195 7.844 0.351 1 1 167 . 6 1 1 A 19 19 LEU HA H 19 3.940 4.146 -0.206 1 1 174 . 6 1 1 A 19 19 LEU C C 19 177.177 178.991 -1.814 1 1 175 . 6 1 1 A 19 19 LEU CA C 19 59.366 57.870 1.496 1 1 176 . 6 1 1 A 19 19 LEU CB C 19 41.377 41.698 -0.321 1 1 178 . 6 1 1 A 19 19 LEU N N 19 121.557 123.432 -1.875 1 1 179 . 6 1 1 A 20 20 LEU H H 20 7.270 8.098 -0.828 1 1 180 . 6 1 1 A 20 20 LEU HA H 20 3.840 4.165 -0.325 1 1 189 . 6 1 1 A 20 20 LEU C C 20 180.155 179.415 0.740 1 1 190 . 6 1 1 A 20 20 LEU CA C 20 57.629 57.838 -0.209 1 1 191 . 6 1 1 A 20 20 LEU CB C 20 41.498 41.642 -0.144 1 1 194 . 6 1 1 A 20 20 LEU N N 20 117.986 117.800 0.186 1 1 195 . 6 1 1 A 21 21 ILE H H 21 8.619 8.168 0.451 1 1 196 . 6 1 1 A 21 21 ILE HA H 21 3.090 3.859 -0.769 1 1 202 . 6 1 1 A 21 21 ILE C C 21 179.125 178.215 0.910 1 1 203 . 6 1 1 A 21 21 ILE CA C 21 66.129 65.356 0.773 1 1 204 . 6 1 1 A 21 21 ILE CB C 21 38.338 37.234 1.104 1 1 208 . 6 1 1 A 21 21 ILE N N 21 121.078 120.859 0.219 1 1 209 . 6 1 1 A 22 22 SER H H 22 8.899 8.329 0.570 1 1 210 . 6 1 1 A 22 22 SER HA H 22 4.517 4.356 0.161 1 1 213 . 6 1 1 A 22 22 SER C C 22 176.876 176.640 0.236 1 1 214 . 6 1 1 A 22 22 SER CA C 22 61.380 61.676 -0.296 1 1 215 . 6 1 1 A 22 22 SER CB C 22 63.882 62.799 1.083 1 1 216 . 6 1 1 A 22 22 SER N N 22 118.286 115.261 3.025 1 1 217 . 6 1 1 A 23 23 TYR H H 23 7.951 7.415 0.536 1 1 218 . 6 1 1 A 23 23 TYR HA H 23 4.264 4.229 0.035 1 1 223 . 6 1 1 A 23 23 TYR C C 23 176.820 177.673 -0.853 1 1 224 . 6 1 1 A 23 23 TYR CA C 23 60.474 61.516 -1.042 1 1 225 . 6 1 1 A 23 23 TYR CB C 23 39.531 39.132 0.399 1 1 226 . 6 1 1 A 23 23 TYR N N 23 117.292 123.771 -6.479 1 1 227 . 6 1 1 A 24 24 THR H H 24 7.702 8.415 -0.713 1 1 228 . 6 1 1 A 24 24 THR HA H 24 3.614 4.132 -0.518 1 1 233 . 6 1 1 A 24 24 THR C C 24 176.500 176.194 0.306 1 1 234 . 6 1 1 A 24 24 THR CA C 24 64.095 65.632 -1.537 1 1 235 . 6 1 1 A 24 24 THR CB C 24 70.437 68.107 2.330 1 1 237 . 6 1 1 A 24 24 THR N N 24 105.659 113.166 -7.507 1 1 238 . 6 1 1 A 25 25 THR H H 25 8.080 8.263 -0.183 1 1 239 . 6 1 1 A 25 25 THR HA H 25 4.556 4.294 0.262 1 1 244 . 6 1 1 A 25 25 THR C C 25 175.025 174.736 0.289 1 1 245 . 6 1 1 A 25 25 THR CA C 25 61.975 63.809 -1.834 1 1 246 . 6 1 1 A 25 25 THR CB C 25 72.012 69.380 2.632 1 1 248 . 6 1 1 A 25 25 THR N N 25 109.689 116.004 -6.315 1 1 249 . 6 1 1 A 26 26 ASN H H 26 7.603 7.790 -0.187 1 1 250 . 6 1 1 A 26 26 ASN HA H 26 4.501 5.051 -0.550 1 1 253 . 6 1 1 A 26 26 ASN C C 26 173.259 174.943 -1.684 1 1 254 . 6 1 1 A 26 26 ASN CA C 26 55.218 52.881 2.337 1 1 255 . 6 1 1 A 26 26 ASN CB C 26 38.009 40.743 -2.734 1 1 256 . 6 1 1 A 26 26 ASN N N 26 115.569 113.454 2.115 1 1 257 . 6 1 1 A 27 27 LYS H H 27 7.698 7.637 0.061 1 1 258 . 6 1 1 A 27 27 LYS HA H 27 4.431 3.987 0.444 1 1 261 . 6 1 1 A 27 27 LYS C C 27 173.500 176.249 -2.749 1 1 262 . 6 1 1 A 27 27 LYS CA C 27 55.163 54.590 0.573 1 1 263 . 6 1 1 A 27 27 LYS CB C 27 35.034 31.266 3.768 1 1 267 . 6 1 1 A 27 27 LYS N N 27 118.253 120.902 -2.649 1 1 268 . 6 1 1 A 28 28 PHE H H 28 8.554 6.840 1.714 1 1 269 . 6 1 1 A 28 28 PHE CA C 28 55.575 60.505 -4.930 1 1 270 . 6 1 1 A 28 28 PHE CB C 28 39.322 38.170 1.152 1 1 271 . 6 1 1 A 28 28 PHE N N 28 125.682 122.808 2.874 1 1 272 . 6 1 1 A 29 29 PRO HA H 29 4.373 4.344 0.029 1 1 274 . 6 1 1 A 29 29 PRO C C 29 173.611 177.444 -3.833 1 1 275 . 6 1 1 A 29 29 PRO CA C 29 61.978 65.694 -3.716 1 1 276 . 6 1 1 A 29 29 PRO CB C 29 30.039 30.781 -0.742 1 1 279 . 6 1 1 A 30 30 SER H H 30 7.993 8.010 -0.017 1 1 280 . 6 1 1 A 30 30 SER HA H 30 4.285 4.117 0.168 1 1 283 . 6 1 1 A 30 30 SER C C 30 174.665 173.770 0.895 1 1 284 . 6 1 1 A 30 30 SER CA C 30 58.948 59.432 -0.484 1 1 285 . 6 1 1 A 30 30 SER CB C 30 64.019 61.330 2.689 1 1 286 . 6 1 1 A 30 30 SER N N 30 116.682 113.844 2.838 1 1 287 . 6 1 1 A 31 31 GLU H H 31 8.198 8.085 0.113 1 1 288 . 6 1 1 A 31 31 GLU HA H 31 4.308 4.210 0.098 1 1 292 . 6 1 1 A 31 31 GLU C C 31 175.157 176.969 -1.812 1 1 293 . 6 1 1 A 31 31 GLU CA C 31 56.846 57.062 -0.216 1 1 294 . 6 1 1 A 31 31 GLU CB C 31 30.113 28.716 1.397 1 1 296 . 6 1 1 A 31 31 GLU N N 31 120.151 119.748 0.403 1 1 297 . 6 1 1 A 32 32 TYR H H 32 7.714 8.925 -1.211 1 1 298 . 6 1 1 A 32 32 TYR HA H 32 4.407 4.129 0.278 1 1 302 . 6 1 1 A 32 32 TYR C C 32 173.544 175.534 -1.990 1 1 303 . 6 1 1 A 32 32 TYR CA C 32 58.368 58.805 -0.437 1 1 304 . 6 1 1 A 32 32 TYR CB C 32 38.614 36.847 1.767 1 1 305 . 6 1 1 A 32 32 TYR N N 32 118.548 121.554 -3.006 1 1 306 . 6 1 1 A 33 33 VAL H H 33 7.764 7.461 0.303 1 1 307 . 6 1 1 A 33 33 VAL HA H 33 4.048 4.193 -0.145 1 1 315 . 6 1 1 A 33 33 VAL CA C 33 58.575 61.022 -2.447 1 1 316 . 6 1 1 A 33 33 VAL CB C 33 33.600 31.354 2.246 1 1 317 . 6 1 1 A 33 33 VAL N N 33 125.992 118.195 7.797 1 1 318 . 6 1 1 A 34 34 PRO HA H 34 4.215 4.616 -0.401 1 1 320 . 6 1 1 A 34 34 PRO C C 34 175.627 176.444 -0.817 1 1 321 . 6 1 1 A 34 34 PRO CA C 34 61.655 62.776 -1.121 1 1 322 . 6 1 1 A 34 34 PRO CB C 34 31.965 32.591 -0.626 1 1 325 . 6 1 1 A 35 35 ALA H H 35 8.503 8.358 0.145 1 1 326 . 6 1 1 A 35 35 ALA HA H 35 4.190 4.105 0.085 1 1 330 . 6 1 1 A 35 35 ALA C C 35 178.295 176.815 1.480 1 1 331 . 6 1 1 A 35 35 ALA CA C 35 54.499 52.739 1.760 1 1 332 . 6 1 1 A 35 35 ALA CB C 35 18.235 19.446 -1.211 1 1 333 . 6 1 1 A 35 35 ALA N N 35 123.063 122.288 0.775 1 1 334 . 6 1 1 A 36 36 VAL H H 36 8.032 7.159 0.873 1 1 335 . 6 1 1 A 36 36 VAL HA H 36 4.258 4.462 -0.204 1 1 340 . 6 1 1 A 36 36 VAL CA C 36 60.200 59.894 0.306 1 1 341 . 6 1 1 A 36 36 VAL CB C 36 29.879 33.893 -4.014 1 1 342 . 6 1 1 A 36 36 VAL N N 36 116.770 112.930 3.840 1 1 344 . 6 1 1 A 37 37 PHE C C 37 174.502 174.952 -0.450 1 1 345 . 6 1 1 A 37 37 PHE CA C 37 56.175 57.092 -0.917 1 1 346 . 6 1 1 A 37 37 PHE CB C 37 40.231 38.919 1.312 1 1 347 . 6 1 1 A 38 38 ASP H H 38 7.602 7.776 -0.174 1 1 348 . 6 1 1 A 38 38 ASP HA H 38 4.343 4.359 -0.016 1 1 351 . 6 1 1 A 38 38 ASP C C 38 174.386 176.073 -1.687 1 1 352 . 6 1 1 A 38 38 ASP CA C 38 54.323 54.655 -0.332 1 1 353 . 6 1 1 A 38 38 ASP CB C 38 40.815 41.239 -0.424 1 1 354 . 6 1 1 A 38 38 ASP N N 38 125.774 121.514 4.260 1 1 355 . 6 1 1 A 39 39 ASN H H 39 7.917 8.412 -0.495 1 1 356 . 6 1 1 A 39 39 ASN HA H 39 4.303 4.635 -0.332 1 1 360 . 6 1 1 A 39 39 ASN C C 39 173.897 174.630 -0.733 1 1 361 . 6 1 1 A 39 39 ASN CA C 39 54.317 53.518 0.799 1 1 362 . 6 1 1 A 39 39 ASN CB C 39 38.180 38.934 -0.754 1 1 363 . 6 1 1 A 39 39 ASN N N 39 117.429 123.314 -5.885 1 1 365 . 6 1 1 A 40 40 TYR H H 40 7.726 8.898 -1.172 1 1 366 . 6 1 1 A 40 40 TYR HA H 40 4.513 5.198 -0.685 1 1 370 . 6 1 1 A 40 40 TYR C C 40 172.772 174.777 -2.005 1 1 371 . 6 1 1 A 40 40 TYR CA C 40 57.335 57.160 0.175 1 1 372 . 6 1 1 A 40 40 TYR CB C 40 42.956 43.202 -0.246 1 1 373 . 6 1 1 A 40 40 TYR N N 40 122.998 120.309 2.689 1 1 374 . 6 1 1 A 41 41 ALA H H 41 7.651 8.822 -1.171 1 1 375 . 6 1 1 A 41 41 ALA HA H 41 5.636 5.511 0.125 1 1 379 . 6 1 1 A 41 41 ALA C C 41 175.778 176.957 -1.179 1 1 380 . 6 1 1 A 41 41 ALA CA C 41 50.456 50.314 0.142 1 1 381 . 6 1 1 A 41 41 ALA CB C 41 20.492 22.183 -1.691 1 1 382 . 6 1 1 A 41 41 ALA N N 41 127.028 124.477 2.551 1 1 383 . 6 1 1 A 42 42 VAL H H 42 8.781 8.946 -0.165 1 1 384 . 6 1 1 A 42 42 VAL HA H 42 4.564 5.046 -0.482 1 1 389 . 6 1 1 A 42 42 VAL C C 42 173.852 174.390 -0.538 1 1 390 . 6 1 1 A 42 42 VAL CA C 42 59.278 59.585 -0.307 1 1 391 . 6 1 1 A 42 42 VAL CB C 42 35.342 35.535 -0.193 1 1 393 . 6 1 1 A 42 42 VAL N N 42 117.471 115.674 1.797 1 1 394 . 6 1 1 A 43 43 THR H H 43 8.566 8.761 -0.195 1 1 395 . 6 1 1 A 43 43 THR HA H 43 5.124 5.257 -0.133 1 1 400 . 6 1 1 A 43 43 THR C C 43 174.210 174.341 -0.131 1 1 401 . 6 1 1 A 43 43 THR CA C 43 62.434 61.544 0.890 1 1 402 . 6 1 1 A 43 43 THR CB C 43 69.296 71.477 -2.181 1 1 404 . 6 1 1 A 43 43 THR N N 43 120.850 118.545 2.305 1 1 405 . 6 1 1 A 44 44 VAL H H 44 9.442 8.938 0.504 1 1 406 . 6 1 1 A 44 44 VAL HA H 44 4.367 5.120 -0.753 1 1 411 . 6 1 1 A 44 44 VAL C C 44 174.061 174.320 -0.259 1 1 412 . 6 1 1 A 44 44 VAL CA C 44 60.639 58.738 1.901 1 1 413 . 6 1 1 A 44 44 VAL CB C 44 35.053 35.492 -0.439 1 1 415 . 6 1 1 A 44 44 VAL N N 44 127.764 120.179 7.585 1 1 416 . 6 1 1 A 45 45 MET H H 45 8.513 8.908 -0.395 1 1 417 . 6 1 1 A 45 45 MET HA H 45 5.272 5.380 -0.108 1 1 421 . 6 1 1 A 45 45 MET C C 45 176.395 174.804 1.591 1 1 422 . 6 1 1 A 45 45 MET CA C 45 53.264 53.690 -0.426 1 1 423 . 6 1 1 A 45 45 MET CB C 45 31.692 35.445 -3.753 1 1 424 . 6 1 1 A 45 45 MET N N 45 123.063 121.300 1.763 1 1 425 . 6 1 1 A 46 46 ILE H H 46 9.103 8.810 0.293 1 1 426 . 6 1 1 A 46 46 ILE HA H 46 4.382 4.756 -0.374 1 1 434 . 6 1 1 A 46 46 ILE C C 46 177.661 177.547 0.114 1 1 435 . 6 1 1 A 46 46 ILE CA C 46 59.755 59.680 0.075 1 1 436 . 6 1 1 A 46 46 ILE CB C 46 38.913 41.431 -2.518 1 1 440 . 6 1 1 A 46 46 ILE N N 46 125.267 124.443 0.824 1 1 441 . 6 1 1 A 47 47 GLY H H 47 9.385 9.089 0.296 1 1 442 . 6 1 1 A 47 47 GLY HA2 H 47 4.755 3.877 0.878 1 1 443 . 6 1 1 A 47 47 GLY HA3 H 47 3.851 3.879 -0.028 1 1 444 . 6 1 1 A 47 47 GLY C C 47 175.195 176.078 -0.883 1 1 445 . 6 1 1 A 47 47 GLY CA C 47 47.015 47.413 -0.398 1 1 446 . 6 1 1 A 47 47 GLY N N 47 119.278 114.000 5.278 1 1 447 . 6 1 1 A 48 48 GLY H H 48 8.606 8.245 0.361 1 1 448 . 6 1 1 A 48 48 GLY HA2 H 48 4.140 3.865 0.275 1 1 449 . 6 1 1 A 48 48 GLY HA3 H 48 3.623 3.897 -0.274 1 1 450 . 6 1 1 A 48 48 GLY C C 48 172.844 173.558 -0.714 1 1 451 . 6 1 1 A 48 48 GLY CA C 48 44.889 46.731 -1.842 1 1 452 . 6 1 1 A 48 48 GLY N N 48 104.656 109.334 -4.678 1 1 453 . 6 1 1 A 49 49 GLU H H 49 7.722 8.298 -0.576 1 1 454 . 6 1 1 A 49 49 GLU HA H 49 4.182 4.723 -0.541 1 1 457 . 6 1 1 A 49 49 GLU CA C 49 52.336 53.106 -0.770 1 1 458 . 6 1 1 A 49 49 GLU CB C 49 31.160 31.112 0.048 1 1 459 . 6 1 1 A 49 49 GLU N N 49 120.543 118.719 1.824 1 1 460 . 6 1 1 A 50 50 PRO HA H 50 4.977 4.909 0.068 1 1 462 . 6 1 1 A 50 50 PRO C C 50 177.922 175.435 2.487 1 1 463 . 6 1 1 A 50 50 PRO CA C 50 62.080 62.493 -0.413 1 1 464 . 6 1 1 A 50 50 PRO CB C 50 32.147 32.628 -0.481 1 1 465 . 6 1 1 A 51 51 TYR H H 51 9.148 8.354 0.794 1 1 466 . 6 1 1 A 51 51 TYR HA H 51 4.683 5.290 -0.607 1 1 470 . 6 1 1 A 51 51 TYR C C 51 176.400 174.708 1.692 1 1 471 . 6 1 1 A 51 51 TYR CA C 51 57.344 56.625 0.719 1 1 472 . 6 1 1 A 51 51 TYR CB C 51 41.669 43.382 -1.713 1 1 473 . 6 1 1 A 51 51 TYR N N 51 121.300 123.257 -1.957 1 1 474 . 6 1 1 A 52 52 THR H H 52 8.889 8.899 -0.010 1 1 475 . 6 1 1 A 52 52 THR HA H 52 4.113 5.219 -1.106 1 1 477 . 6 1 1 A 52 52 THR C C 52 172.149 173.558 -1.409 1 1 478 . 6 1 1 A 52 52 THR CA C 52 62.400 59.634 2.766 1 1 479 . 6 1 1 A 52 52 THR CB C 52 69.447 71.922 -2.475 1 1 481 . 6 1 1 A 52 52 THR N N 52 119.482 113.391 6.091 1 1 482 . 6 1 1 A 53 53 LEU H H 53 9.480 8.667 0.813 1 1 483 . 6 1 1 A 53 53 LEU HA H 53 5.030 4.960 0.070 1 1 491 . 6 1 1 A 53 53 LEU C C 53 174.307 174.692 -0.385 1 1 492 . 6 1 1 A 53 53 LEU CA C 53 53.375 53.858 -0.483 1 1 493 . 6 1 1 A 53 53 LEU CB C 53 44.216 45.123 -0.907 1 1 496 . 6 1 1 A 53 53 LEU N N 53 131.364 118.591 12.773 1 1 497 . 6 1 1 A 54 54 GLY H H 54 9.749 8.430 1.319 1 1 498 . 6 1 1 A 54 54 GLY HA2 H 54 4.571 4.442 0.129 1 1 499 . 6 1 1 A 54 54 GLY HA3 H 54 3.577 4.456 -0.879 1 1 500 . 6 1 1 A 54 54 GLY C C 54 171.929 171.614 0.315 1 1 501 . 6 1 1 A 54 54 GLY CA C 54 45.195 44.538 0.657 1 1 502 . 6 1 1 A 54 54 GLY N N 54 115.640 106.543 9.097 1 1 503 . 6 1 1 A 55 55 LEU H H 55 8.623 8.872 -0.249 1 1 504 . 6 1 1 A 55 55 LEU HA H 55 5.104 5.002 0.102 1 1 510 . 6 1 1 A 55 55 LEU C C 55 176.000 175.177 0.823 1 1 511 . 6 1 1 A 55 55 LEU CA C 55 54.202 53.274 0.928 1 1 512 . 6 1 1 A 55 55 LEU CB C 55 44.057 43.092 0.965 1 1 515 . 6 1 1 A 55 55 LEU N N 55 125.141 120.481 4.660 1 1 516 . 6 1 1 A 56 56 PHE H H 56 8.735 8.451 0.284 1 1 517 . 6 1 1 A 56 56 PHE HA H 56 4.821 5.326 -0.505 1 1 521 . 6 1 1 A 56 56 PHE C C 56 173.130 173.647 -0.517 1 1 522 . 6 1 1 A 56 56 PHE CA C 56 56.833 56.098 0.735 1 1 523 . 6 1 1 A 56 56 PHE CB C 56 40.776 42.195 -1.419 1 1 524 . 6 1 1 A 56 56 PHE N N 56 122.065 125.617 -3.552 1 1 525 . 6 1 1 A 57 57 ASP H H 57 9.093 8.354 0.739 1 1 526 . 6 1 1 A 57 57 ASP HA H 57 4.877 5.054 -0.177 1 1 529 . 6 1 1 A 57 57 ASP C C 57 175.941 174.361 1.580 1 1 530 . 6 1 1 A 57 57 ASP CA C 57 51.755 52.264 -0.509 1 1 531 . 6 1 1 A 57 57 ASP CB C 57 43.082 44.445 -1.363 1 1 532 . 6 1 1 A 57 57 ASP N N 57 124.050 125.810 -1.760 1 1 533 . 6 1 1 A 58 58 THR H H 58 8.621 8.451 0.170 1 1 534 . 6 1 1 A 58 58 THR HA H 58 3.905 4.571 -0.666 1 1 535 . 6 1 1 A 58 58 THR C C 58 172.124 174.778 -2.654 1 1 536 . 6 1 1 A 58 58 THR CA C 58 60.335 60.671 -0.336 1 1 537 . 6 1 1 A 58 58 THR CB C 58 74.469 70.592 3.877 1 1 538 . 6 1 1 A 58 58 THR N N 58 109.327 112.498 -3.171 1 1 539 . 6 1 1 A 59 59 ALA H H 59 8.695 8.433 0.262 1 1 540 . 6 1 1 A 59 59 ALA HA H 59 4.565 4.426 0.139 1 1 544 . 6 1 1 A 59 59 ALA CA C 59 50.475 51.130 -0.655 1 1 545 . 6 1 1 A 59 59 ALA CB C 59 18.224 19.446 -1.222 1 1 546 . 6 1 1 A 59 59 ALA N N 59 123.129 122.363 0.766 1 1 547 . 6 1 1 A 60 60 GLY H H 60 8.630 7.913 0.717 1 1 548 . 6 1 1 A 60 60 GLY HA2 H 60 4.420 3.978 0.442 1 1 549 . 6 1 1 A 60 60 GLY HA3 H 60 3.902 4.014 -0.112 1 1 550 . 6 1 1 A 60 60 GLY C C 60 173.122 172.409 0.713 1 1 551 . 6 1 1 A 60 60 GLY CA C 60 46.178 44.725 1.453 1 1 552 . 6 1 1 A 60 60 GLY N N 60 109.449 106.299 3.150 1 1 553 . 6 1 1 A 61 61 GLN H H 61 8.553 8.636 -0.083 1 1 554 . 6 1 1 A 61 61 GLN HA H 61 4.492 5.046 -0.554 1 1 560 . 6 1 1 A 61 61 GLN C C 61 177.014 174.641 2.373 1 1 561 . 6 1 1 A 61 61 GLN CA C 61 56.895 54.841 2.054 1 1 562 . 6 1 1 A 61 61 GLN CB C 61 28.863 30.763 -1.900 1 1 564 . 6 1 1 A 61 61 GLN N N 61 118.471 123.248 -4.777 1 1 566 . 6 1 1 A 62 62 GLU H H 62 9.082 8.706 0.376 1 1 567 . 6 1 1 A 62 62 GLU HA H 62 4.292 4.709 -0.417 1 1 570 . 6 1 1 A 62 62 GLU C C 62 178.273 175.798 2.475 1 1 571 . 6 1 1 A 62 62 GLU CA C 62 58.361 56.180 2.181 1 1 572 . 6 1 1 A 62 62 GLU CB C 62 28.579 31.366 -2.787 1 1 574 . 6 1 1 A 62 62 GLU N N 62 122.087 126.057 -3.970 1 1 575 . 6 1 1 A 63 63 ASP H H 63 8.636 8.276 0.360 1 1 576 . 6 1 1 A 63 63 ASP HA H 63 4.348 4.651 -0.303 1 1 579 . 6 1 1 A 63 63 ASP C C 63 176.712 176.249 0.463 1 1 580 . 6 1 1 A 63 63 ASP CA C 63 55.587 54.413 1.174 1 1 581 . 6 1 1 A 63 63 ASP CB C 63 39.571 40.971 -1.400 1 1 582 . 6 1 1 A 63 63 ASP N N 63 117.009 121.972 -4.963 1 1 583 . 6 1 1 A 64 64 TYR H H 64 8.061 7.625 0.436 1 1 584 . 6 1 1 A 64 64 TYR HA H 64 4.609 4.661 -0.052 1 1 587 . 6 1 1 A 64 64 TYR C C 64 176.254 174.599 1.655 1 1 588 . 6 1 1 A 64 64 TYR CA C 64 58.231 58.008 0.223 1 1 589 . 6 1 1 A 64 64 TYR CB C 64 38.650 38.010 0.640 1 1 590 . 6 1 1 A 64 64 TYR N N 64 117.063 117.642 -0.579 1 1 591 . 6 1 1 A 65 65 ASP H H 65 8.064 8.093 -0.029 1 1 592 . 6 1 1 A 65 65 ASP HA H 65 4.439 4.351 0.088 1 1 594 . 6 1 1 A 65 65 ASP C C 65 175.163 176.104 -0.941 1 1 595 . 6 1 1 A 65 65 ASP CA C 65 57.971 55.425 2.546 1 1 596 . 6 1 1 A 65 65 ASP N N 65 122.196 116.859 5.337 1 1 597 . 6 1 1 A 66 66 ARG H H 66 8.537 8.011 0.526 1 1 598 . 6 1 1 A 66 66 ARG HA H 66 4.345 4.099 0.246 1 1 599 . 6 1 1 A 66 66 ARG C C 66 175.009 177.957 -2.948 1 1 600 . 6 1 1 A 66 66 ARG CA C 66 56.217 58.784 -2.567 1 1 601 . 6 1 1 A 66 66 ARG N N 66 122.224 117.670 4.554 1 1 602 . 6 1 1 A 67 67 LEU H H 67 8.336 7.776 0.560 1 1 603 . 6 1 1 A 67 67 LEU HA H 67 4.037 4.379 -0.342 1 1 604 . 6 1 1 A 67 67 LEU CA C 67 61.694 55.294 6.400 1 1 605 . 6 1 1 A 67 67 LEU N N 67 117.734 117.259 0.475 1 1 607 . 6 1 1 A 69 69 PRO C C 69 178.122 178.896 -0.774 1 1 608 . 6 1 1 A 69 69 PRO CA C 69 63.575 66.114 -2.539 1 1 611 . 6 1 1 A 70 70 LEU H H 70 7.470 7.565 -0.095 1 1 612 . 6 1 1 A 70 70 LEU HA H 70 4.031 4.622 -0.591 1 1 621 . 6 1 1 A 70 70 LEU C C 70 178.756 176.729 2.027 1 1 622 . 6 1 1 A 70 70 LEU CA C 70 56.944 54.751 2.193 1 1 623 . 6 1 1 A 70 70 LEU CB C 70 40.002 43.174 -3.172 1 1 626 . 6 1 1 A 70 70 LEU N N 70 118.335 117.279 1.056 1 1 627 . 6 1 1 A 71 71 SER H H 71 7.882 8.041 -0.159 1 1 628 . 6 1 1 A 71 71 SER HA H 71 4.461 4.838 -0.377 1 1 630 . 6 1 1 A 71 71 SER C C 71 179.200 171.830 7.370 1 1 631 . 6 1 1 A 71 71 SER CA C 71 59.710 57.387 2.323 1 1 632 . 6 1 1 A 71 71 SER CB C 71 63.841 65.749 -1.908 1 1 633 . 6 1 1 A 71 71 SER N N 71 111.784 111.497 0.287 1 1 634 . 6 1 1 A 72 72 TYR H H 72 7.362 8.960 -1.598 1 1 635 . 6 1 1 A 72 72 TYR CA C 72 56.002 55.135 0.867 1 1 636 . 6 1 1 A 72 72 TYR CB C 72 35.144 38.576 -3.432 1 1 637 . 6 1 1 A 72 72 TYR N N 72 119.959 119.586 0.373 1 1 638 . 6 1 1 A 73 73 PRO HA H 73 4.231 4.738 -0.507 1 1 639 . 6 1 1 A 73 73 PRO C C 73 176.096 175.841 0.255 1 1 640 . 6 1 1 A 73 73 PRO CA C 73 66.055 62.476 3.579 1 1 641 . 6 1 1 A 73 73 PRO CB C 73 35.726 29.101 6.625 1 1 642 . 6 1 1 A 74 74 GLN H H 74 8.995 8.082 0.913 1 1 643 . 6 1 1 A 74 74 GLN HA H 74 3.790 5.106 -1.316 1 1 647 . 6 1 1 A 74 74 GLN C C 74 174.686 174.470 0.216 1 1 648 . 6 1 1 A 74 74 GLN CA C 74 57.416 54.295 3.121 1 1 649 . 6 1 1 A 74 74 GLN CB C 74 25.352 31.878 -6.526 1 1 651 . 6 1 1 A 74 74 GLN N N 74 114.768 122.072 -7.304 1 1 653 . 6 1 1 A 75 75 THR H H 75 7.504 8.593 -1.089 1 1 654 . 6 1 1 A 75 75 THR HA H 75 3.172 4.741 -1.569 1 1 659 . 6 1 1 A 75 75 THR C C 75 173.589 174.145 -0.556 1 1 660 . 6 1 1 A 75 75 THR CA C 75 67.162 60.365 6.797 1 1 661 . 6 1 1 A 75 75 THR CB C 75 61.122 69.727 -8.605 1 1 663 . 6 1 1 A 75 75 THR N N 75 116.725 115.454 1.271 1 1 664 . 6 1 1 A 76 76 ASP H H 76 8.865 8.638 0.227 1 1 665 . 6 1 1 A 76 76 ASP HA H 76 4.873 4.400 0.473 1 1 668 . 6 1 1 A 76 76 ASP C C 76 177.600 176.084 1.516 1 1 669 . 6 1 1 A 76 76 ASP CA C 76 56.105 57.008 -0.903 1 1 670 . 6 1 1 A 76 76 ASP CB C 76 44.016 41.699 2.317 1 1 671 . 6 1 1 A 76 76 ASP N N 76 124.192 126.114 -1.922 1 1 672 . 6 1 1 A 77 77 VAL H H 77 7.578 7.309 0.269 1 1 673 . 6 1 1 A 77 77 VAL HA H 77 4.706 4.516 0.190 1 1 681 . 6 1 1 A 77 77 VAL C C 77 171.266 173.347 -2.081 1 1 682 . 6 1 1 A 77 77 VAL CA C 77 60.346 59.312 1.034 1 1 683 . 6 1 1 A 77 77 VAL CB C 77 32.362 35.253 -2.891 1 1 685 . 6 1 1 A 77 77 VAL N N 77 116.060 111.542 4.518 1 1 686 . 6 1 1 A 78 78 PHE H H 78 8.287 8.914 -0.627 1 1 687 . 6 1 1 A 78 78 PHE HA H 78 5.646 5.186 0.460 1 1 690 . 6 1 1 A 78 78 PHE C C 78 175.799 174.626 1.173 1 1 691 . 6 1 1 A 78 78 PHE CA C 78 56.686 56.491 0.195 1 1 692 . 6 1 1 A 78 78 PHE CB C 78 43.413 40.926 2.487 1 1 693 . 6 1 1 A 78 78 PHE N N 78 121.935 122.014 -0.079 1 1 694 . 6 1 1 A 79 79 LEU H H 79 8.937 8.734 0.203 1 1 695 . 6 1 1 A 79 79 LEU HA H 79 4.691 5.227 -0.536 1 1 701 . 6 1 1 A 79 79 LEU C C 79 174.059 174.813 -0.754 1 1 702 . 6 1 1 A 79 79 LEU CA C 79 53.575 53.694 -0.119 1 1 703 . 6 1 1 A 79 79 LEU CB C 79 41.184 45.044 -3.860 1 1 706 . 6 1 1 A 79 79 LEU N N 79 119.060 125.520 -6.460 1 1 707 . 6 1 1 A 80 80 VAL H H 80 8.828 8.875 -0.047 1 1 708 . 6 1 1 A 80 80 VAL HA H 80 4.138 4.767 -0.629 1 1 716 . 6 1 1 A 80 80 VAL C C 80 174.535 174.878 -0.343 1 1 717 . 6 1 1 A 80 80 VAL CA C 80 61.395 60.618 0.777 1 1 718 . 6 1 1 A 80 80 VAL CB C 80 30.602 34.807 -4.205 1 1 721 . 6 1 1 A 80 80 VAL N N 80 124.677 126.625 -1.948 1 1 722 . 6 1 1 A 81 81 CYS H H 81 8.795 8.516 0.279 1 1 723 . 6 1 1 A 81 81 CYS HA H 81 5.758 5.505 0.253 1 1 726 . 6 1 1 A 81 81 CYS C C 81 173.980 173.870 0.110 1 1 727 . 6 1 1 A 81 81 CYS CA C 81 57.821 57.063 0.758 1 1 728 . 6 1 1 A 81 81 CYS CB C 81 30.043 31.171 -1.128 1 1 729 . 6 1 1 A 81 81 CYS N N 81 123.745 124.496 -0.751 1 1 730 . 6 1 1 A 82 82 PHE H H 82 8.873 8.220 0.653 1 1 731 . 6 1 1 A 82 82 PHE HA H 82 4.532 5.425 -0.893 1 1 735 . 6 1 1 A 82 82 PHE C C 82 171.090 173.323 -2.233 1 1 736 . 6 1 1 A 82 82 PHE CA C 82 56.367 55.527 0.840 1 1 737 . 6 1 1 A 82 82 PHE CB C 82 40.091 42.104 -2.013 1 1 738 . 6 1 1 A 82 82 PHE N N 82 117.718 119.454 -1.736 1 1 739 . 6 1 1 A 83 83 SER H H 83 8.038 9.000 -0.962 1 1 740 . 6 1 1 A 83 83 SER HA H 83 5.204 4.889 0.315 1 1 743 . 6 1 1 A 83 83 SER C C 83 178.547 174.711 3.836 1 1 744 . 6 1 1 A 83 83 SER CA C 83 55.000 56.880 -1.880 1 1 745 . 6 1 1 A 83 83 SER CB C 83 63.051 65.067 -2.016 1 1 746 . 6 1 1 A 83 83 SER N N 83 113.246 115.436 -2.190 1 1 747 . 6 1 1 A 84 84 VAL H H 84 8.609 8.640 -0.031 1 1 748 . 6 1 1 A 84 84 VAL HA H 84 4.261 4.425 -0.164 1 1 756 . 6 1 1 A 84 84 VAL C C 84 175.783 176.251 -0.468 1 1 757 . 6 1 1 A 84 84 VAL CA C 84 63.745 63.147 0.598 1 1 758 . 6 1 1 A 84 84 VAL CB C 84 29.811 32.609 -2.798 1 1 760 . 6 1 1 A 84 84 VAL N N 84 120.609 123.575 -2.966 1 1 761 . 6 1 1 A 85 85 VAL H H 85 7.653 7.481 0.172 1 1 762 . 6 1 1 A 85 85 VAL HA H 85 4.508 4.592 -0.084 1 1 767 . 6 1 1 A 85 85 VAL C C 85 173.401 174.839 -1.438 1 1 768 . 6 1 1 A 85 85 VAL CA C 85 59.998 60.982 -0.984 1 1 769 . 6 1 1 A 85 85 VAL CB C 85 29.718 32.212 -2.494 1 1 772 . 6 1 1 A 85 85 VAL N N 85 107.920 115.356 -7.436 1 1 773 . 6 1 1 A 86 86 SER H H 86 7.792 7.942 -0.150 1 1 774 . 6 1 1 A 86 86 SER HA H 86 5.200 4.985 0.215 1 1 777 . 6 1 1 A 86 86 SER CA C 86 53.848 55.643 -1.795 1 1 778 . 6 1 1 A 86 86 SER CB C 86 62.720 63.775 -1.055 1 1 779 . 6 1 1 A 86 86 SER N N 86 112.608 117.987 -5.379 1 1 780 . 6 1 1 A 87 87 PRO C C 87 178.275 178.508 -0.233 1 1 781 . 6 1 1 A 87 87 PRO CA C 87 65.655 65.625 0.030 1 1 782 . 6 1 1 A 87 87 PRO CB C 87 31.961 31.595 0.366 1 1 783 . 6 1 1 A 88 88 SER H H 88 8.928 8.346 0.582 1 1 784 . 6 1 1 A 88 88 SER HA H 88 4.783 4.241 0.542 1 1 787 . 6 1 1 A 88 88 SER C C 88 176.192 176.771 -0.579 1 1 788 . 6 1 1 A 88 88 SER CA C 88 61.630 61.459 0.171 1 1 789 . 6 1 1 A 88 88 SER CB C 88 71.811 62.360 9.451 1 1 790 . 6 1 1 A 88 88 SER N N 88 113.475 112.615 0.860 1 1 791 . 6 1 1 A 89 89 SER H H 89 8.022 8.518 -0.496 1 1 792 . 6 1 1 A 89 89 SER HA H 89 5.047 4.368 0.679 1 1 795 . 6 1 1 A 89 89 SER C C 89 176.417 176.688 -0.271 1 1 796 . 6 1 1 A 89 89 SER CA C 89 61.352 60.862 0.490 1 1 797 . 6 1 1 A 89 89 SER CB C 89 63.930 63.071 0.859 1 1 798 . 6 1 1 A 89 89 SER N N 89 120.789 116.683 4.106 1 1 799 . 6 1 1 A 90 90 PHE H H 90 7.454 8.649 -1.195 1 1 800 . 6 1 1 A 90 90 PHE HA H 90 3.967 4.067 -0.100 1 1 804 . 6 1 1 A 90 90 PHE C C 90 177.387 177.850 -0.463 1 1 805 . 6 1 1 A 90 90 PHE CA C 90 59.945 61.192 -1.247 1 1 806 . 6 1 1 A 90 90 PHE CB C 90 39.365 39.194 0.171 1 1 807 . 6 1 1 A 90 90 PHE N N 90 124.950 123.735 1.215 1 1 808 . 6 1 1 A 91 91 GLU H H 91 8.245 8.223 0.022 1 1 809 . 6 1 1 A 91 91 GLU HA H 91 3.921 4.066 -0.145 1 1 811 . 6 1 1 A 91 91 GLU C C 91 179.695 179.318 0.377 1 1 812 . 6 1 1 A 91 91 GLU CA C 91 59.102 59.597 -0.495 1 1 813 . 6 1 1 A 91 91 GLU CB C 91 28.437 29.542 -1.105 1 1 815 . 6 1 1 A 91 91 GLU N N 91 119.953 118.216 1.737 1 1 816 . 6 1 1 A 92 92 ASN H H 92 8.106 8.379 -0.273 1 1 817 . 6 1 1 A 92 92 ASN HA H 92 4.760 4.409 0.351 1 1 821 . 6 1 1 A 92 92 ASN C C 92 178.593 177.906 0.687 1 1 822 . 6 1 1 A 92 92 ASN CA C 92 54.635 56.513 -1.878 1 1 823 . 6 1 1 A 92 92 ASN CB C 92 37.879 38.382 -0.503 1 1 824 . 6 1 1 A 92 92 ASN N N 92 114.315 117.968 -3.653 1 1 826 . 6 1 1 A 93 93 VAL H H 93 7.883 8.035 -0.152 1 1 827 . 6 1 1 A 93 93 VAL HA H 93 3.738 3.653 0.085 1 1 835 . 6 1 1 A 93 93 VAL C C 93 174.932 177.799 -2.867 1 1 836 . 6 1 1 A 93 93 VAL CA C 93 68.395 67.050 1.345 1 1 837 . 6 1 1 A 93 93 VAL CB C 93 30.596 31.206 -0.610 1 1 839 . 6 1 1 A 93 93 VAL N N 93 124.067 120.600 3.467 1 1 840 . 6 1 1 A 94 94 LYS H H 94 6.590 7.843 -1.253 1 1 841 . 6 1 1 A 94 94 LYS HA H 94 3.902 4.209 -0.307 1 1 846 . 6 1 1 A 94 94 LYS C C 94 176.885 179.142 -2.257 1 1 847 . 6 1 1 A 94 94 LYS CA C 94 58.135 57.427 0.708 1 1 848 . 6 1 1 A 94 94 LYS CB C 94 33.163 32.758 0.405 1 1 851 . 6 1 1 A 94 94 LYS N N 94 115.269 119.616 -4.347 1 1 852 . 6 1 1 A 95 95 GLU H H 95 7.719 8.180 -0.461 1 1 853 . 6 1 1 A 95 95 GLU HA H 95 4.089 4.077 0.012 1 1 857 . 6 1 1 A 95 95 GLU C C 95 176.252 177.905 -1.653 1 1 858 . 6 1 1 A 95 95 GLU CA C 95 57.564 58.786 -1.222 1 1 859 . 6 1 1 A 95 95 GLU CB C 95 30.353 29.500 0.853 1 1 861 . 6 1 1 A 95 95 GLU N N 95 112.466 119.841 -7.375 1 1 862 . 6 1 1 A 96 96 LYS H H 96 8.063 7.839 0.224 1 1 863 . 6 1 1 A 96 96 LYS HA H 96 4.250 4.261 -0.011 1 1 867 . 6 1 1 A 96 96 LYS C C 96 177.781 178.032 -0.251 1 1 868 . 6 1 1 A 96 96 LYS CA C 96 57.343 57.156 0.187 1 1 869 . 6 1 1 A 96 96 LYS CB C 96 35.190 34.222 0.968 1 1 873 . 6 1 1 A 96 96 LYS N N 96 115.613 117.142 -1.529 1 1 874 . 6 1 1 A 97 97 TRP H H 97 7.786 7.591 0.195 1 1 875 . 6 1 1 A 97 97 TRP HA H 97 4.390 4.626 -0.236 1 1 879 . 6 1 1 A 97 97 TRP C C 97 178.500 177.134 1.366 1 1 880 . 6 1 1 A 97 97 TRP CA C 97 60.831 58.386 2.445 1 1 881 . 6 1 1 A 97 97 TRP CB C 97 30.818 28.404 2.414 1 1 882 . 6 1 1 A 97 97 TRP N N 97 119.643 118.862 0.781 1 1 884 . 6 1 1 A 98 98 VAL H H 98 8.604 7.549 1.055 1 1 885 . 6 1 1 A 98 98 VAL HA H 98 3.542 3.888 -0.346 1 1 890 . 6 1 1 A 98 98 VAL CA C 98 68.434 65.342 3.092 1 1 891 . 6 1 1 A 98 98 VAL CB C 98 28.357 32.367 -4.010 1 1 892 . 6 1 1 A 98 98 VAL N N 98 116.894 119.526 -2.632 1 1 893 . 6 1 1 A 99 99 PRO HA H 99 3.932 4.316 -0.384 1 1 895 . 6 1 1 A 99 99 PRO C C 99 177.438 177.931 -0.493 1 1 896 . 6 1 1 A 99 99 PRO CA C 99 66.615 65.309 1.306 1 1 897 . 6 1 1 A 99 99 PRO CB C 99 30.600 31.041 -0.441 1 1 899 . 6 1 1 A 100 100 GLU H H 100 7.538 8.148 -0.610 1 1 900 . 6 1 1 A 100 100 GLU HA H 100 4.219 4.633 -0.414 1 1 902 . 6 1 1 A 100 100 GLU C C 100 178.891 178.755 0.136 1 1 903 . 6 1 1 A 100 100 GLU CA C 100 60.795 59.636 1.159 1 1 904 . 6 1 1 A 100 100 GLU CB C 100 29.919 29.249 0.670 1 1 906 . 6 1 1 A 100 100 GLU N N 100 116.622 118.809 -2.187 1 1 907 . 6 1 1 A 101 101 ILE H H 101 8.331 7.926 0.405 1 1 908 . 6 1 1 A 101 101 ILE HA H 101 3.598 4.057 -0.459 1 1 909 . 6 1 1 A 101 101 ILE C C 101 177.812 177.859 -0.047 1 1 910 . 6 1 1 A 101 101 ILE CA C 101 66.106 62.845 3.261 1 1 911 . 6 1 1 A 101 101 ILE CB C 101 35.806 37.667 -1.861 1 1 913 . 6 1 1 A 101 101 ILE N N 101 113.806 120.440 -6.634 1 1 914 . 6 1 1 A 102 102 THR H H 102 7.881 7.885 -0.004 1 1 915 . 6 1 1 A 102 102 THR HA H 102 3.849 4.301 -0.452 1 1 917 . 6 1 1 A 102 102 THR C C 102 175.953 177.176 -1.223 1 1 918 . 6 1 1 A 102 102 THR CA C 102 64.979 66.038 -1.059 1 1 919 . 6 1 1 A 102 102 THR CB C 102 69.609 67.912 1.697 1 1 920 . 6 1 1 A 102 102 THR N N 102 112.542 115.905 -3.363 1 1 921 . 6 1 1 A 103 103 HIS H H 103 7.598 7.805 -0.207 1 1 922 . 6 1 1 A 103 103 HIS HA H 103 4.217 4.207 0.010 1 1 924 . 6 1 1 A 103 103 HIS C C 103 176.414 176.600 -0.186 1 1 925 . 6 1 1 A 103 103 HIS CA C 103 58.531 59.261 -0.730 1 1 926 . 6 1 1 A 103 103 HIS CB C 103 28.397 29.444 -1.047 1 1 927 . 6 1 1 A 103 103 HIS N N 103 118.843 119.722 -0.879 1 1 928 . 6 1 1 A 104 104 HIS H H 104 7.405 7.567 -0.162 1 1 929 . 6 1 1 A 104 104 HIS HA H 104 4.164 4.650 -0.486 1 1 932 . 6 1 1 A 104 104 HIS C C 104 176.660 175.688 0.972 1 1 933 . 6 1 1 A 104 104 HIS CA C 104 59.641 56.694 2.947 1 1 934 . 6 1 1 A 104 104 HIS CB C 104 33.363 31.378 1.985 1 1 935 . 6 1 1 A 104 104 HIS N N 104 113.791 113.621 0.170 1 1 936 . 6 1 1 A 105 105 CYS H H 105 8.530 8.201 0.329 1 1 937 . 6 1 1 A 105 105 CYS HA H 105 5.015 4.985 0.030 1 1 940 . 6 1 1 A 105 105 CYS CA C 105 56.219 56.370 -0.151 1 1 941 . 6 1 1 A 105 105 CYS N N 105 117.178 117.485 -0.307 1 1 942 . 6 1 1 A 106 106 PRO HA H 106 4.477 4.426 0.051 1 1 945 . 6 1 1 A 106 106 PRO C C 106 177.961 176.689 1.272 1 1 946 . 6 1 1 A 106 106 PRO CA C 106 64.735 64.836 -0.101 1 1 947 . 6 1 1 A 106 106 PRO CB C 106 31.961 31.958 0.003 1 1 949 . 6 1 1 A 107 107 LYS H H 107 8.769 7.847 0.922 1 1 950 . 6 1 1 A 107 107 LYS HA H 107 4.771 4.806 -0.035 1 1 955 . 6 1 1 A 107 107 LYS CA C 107 55.895 55.150 0.745 1 1 956 . 6 1 1 A 107 107 LYS CB C 107 31.160 34.445 -3.285 1 1 957 . 6 1 1 A 107 107 LYS N N 107 116.131 117.860 -1.729 1 1 958 . 6 1 1 A 108 108 THR H H 108 7.586 8.820 -1.234 1 1 959 . 6 1 1 A 108 108 THR N N 108 121.415 114.084 7.331 1 1 960 . 6 1 1 A 109 109 PRO HA H 109 4.529 4.542 -0.013 1 1 963 . 6 1 1 A 109 109 PRO C C 109 174.846 175.604 -0.758 1 1 964 . 6 1 1 A 109 109 PRO CA C 109 62.495 62.774 -0.279 1 1 965 . 6 1 1 A 109 109 PRO CB C 109 33.563 32.064 1.499 1 1 968 . 6 1 1 A 110 110 PHE H H 110 8.165 8.691 -0.526 1 1 969 . 6 1 1 A 110 110 PHE HA H 110 5.929 5.183 0.746 1 1 971 . 6 1 1 A 110 110 PHE C C 110 172.666 174.194 -1.528 1 1 972 . 6 1 1 A 110 110 PHE CA C 110 54.448 56.183 -1.735 1 1 973 . 6 1 1 A 110 110 PHE CB C 110 43.554 41.683 1.871 1 1 974 . 6 1 1 A 110 110 PHE N N 110 112.128 124.043 -11.915 1 1 975 . 6 1 1 A 111 111 LEU H H 111 8.633 8.559 0.074 1 1 976 . 6 1 1 A 111 111 LEU HA H 111 4.694 5.201 -0.507 1 1 979 . 6 1 1 A 111 111 LEU C C 111 175.472 174.686 0.786 1 1 980 . 6 1 1 A 111 111 LEU CA C 111 54.212 53.685 0.527 1 1 981 . 6 1 1 A 111 111 LEU CB C 111 43.831 45.637 -1.806 1 1 984 . 6 1 1 A 111 111 LEU N N 111 119.654 124.090 -4.436 1 1 985 . 6 1 1 A 112 112 LEU H H 112 8.061 8.867 -0.806 1 1 986 . 6 1 1 A 112 112 LEU HA H 112 5.363 5.183 0.180 1 1 992 . 6 1 1 A 112 112 LEU C C 112 173.631 176.063 -2.432 1 1 993 . 6 1 1 A 112 112 LEU CA C 112 53.826 53.181 0.645 1 1 994 . 6 1 1 A 112 112 LEU CB C 112 44.182 42.953 1.229 1 1 996 . 6 1 1 A 112 112 LEU N N 112 121.946 128.762 -6.816 1 1 997 . 6 1 1 A 113 113 VAL H H 113 9.178 9.214 -0.036 1 1 998 . 6 1 1 A 113 113 VAL HA H 113 4.878 4.771 0.107 1 1 1006 . 6 1 1 A 113 113 VAL C C 113 174.300 175.266 -0.966 1 1 1007 . 6 1 1 A 113 113 VAL CA C 113 59.695 60.757 -1.062 1 1 1008 . 6 1 1 A 113 113 VAL CB C 113 33.323 34.624 -1.301 1 1 1011 . 6 1 1 A 113 113 VAL N N 113 125.807 126.001 -0.194 1 1 1012 . 6 1 1 A 114 114 GLY H H 114 8.731 9.455 -0.724 1 1 1013 . 6 1 1 A 114 114 GLY HA2 H 114 3.688 3.502 0.186 1 1 1014 . 6 1 1 A 114 114 GLY HA3 H 114 3.270 4.047 -0.777 1 1 1015 . 6 1 1 A 114 114 GLY C C 114 173.360 172.705 0.655 1 1 1016 . 6 1 1 A 114 114 GLY CA C 114 44.195 44.787 -0.592 1 1 1017 . 6 1 1 A 114 114 GLY N N 114 115.079 115.211 -0.132 1 1 1018 . 6 1 1 A 115 115 THR H H 115 9.181 7.896 1.285 1 1 1019 . 6 1 1 A 115 115 THR HA H 115 4.969 5.083 -0.114 1 1 1024 . 6 1 1 A 115 115 THR C C 115 175.355 173.838 1.517 1 1 1025 . 6 1 1 A 115 115 THR CA C 115 59.375 59.836 -0.461 1 1 1026 . 6 1 1 A 115 115 THR CB C 115 70.530 71.343 -0.813 1 1 1028 . 6 1 1 A 115 115 THR N N 115 115.613 115.332 0.281 1 1 1029 . 6 1 1 A 116 116 GLN H H 116 9.380 8.664 0.716 1 1 1030 . 6 1 1 A 116 116 GLN HA H 116 3.983 3.807 0.176 1 1 1033 . 6 1 1 A 116 116 GLN C C 116 179.110 174.803 4.307 1 1 1034 . 6 1 1 A 116 116 GLN CA C 116 56.195 56.609 -0.414 1 1 1035 . 6 1 1 A 116 116 GLN CB C 116 23.911 26.566 -2.655 1 1 1037 . 6 1 1 A 116 116 GLN N N 116 108.468 117.742 -9.274 1 1 1038 . 6 1 1 A 117 117 ILE H H 117 7.635 7.721 -0.086 1 1 1039 . 6 1 1 A 117 117 ILE HA H 117 3.814 3.808 0.006 1 1 1042 . 6 1 1 A 117 117 ILE C C 117 178.002 176.416 1.586 1 1 1043 . 6 1 1 A 117 117 ILE CA C 117 64.828 61.535 3.293 1 1 1044 . 6 1 1 A 117 117 ILE CB C 117 36.327 39.155 -2.828 1 1 1047 . 6 1 1 A 118 118 ASP H H 118 8.732 9.109 -0.377 1 1 1048 . 6 1 1 A 118 118 ASP HA H 118 4.468 4.316 0.152 1 1 1051 . 6 1 1 A 118 118 ASP C C 118 176.888 175.427 1.461 1 1 1052 . 6 1 1 A 118 118 ASP CA C 118 55.527 55.431 0.096 1 1 1053 . 6 1 1 A 118 118 ASP CB C 118 40.482 39.316 1.166 1 1 1054 . 6 1 1 A 118 118 ASP N N 118 119.049 123.766 -4.717 1 1 1055 . 6 1 1 A 119 119 LEU H H 119 7.914 8.347 -0.433 1 1 1056 . 6 1 1 A 119 119 LEU HA H 119 4.332 3.946 0.386 1 1 1066 . 6 1 1 A 119 119 LEU C C 119 178.015 176.011 2.004 1 1 1067 . 6 1 1 A 119 119 LEU CA C 119 55.388 56.363 -0.975 1 1 1068 . 6 1 1 A 119 119 LEU CB C 119 41.573 40.599 0.974 1 1 1071 . 6 1 1 A 119 119 LEU N N 119 117.783 111.583 6.200 1 1 1072 . 6 1 1 A 120 120 ARG H H 120 7.256 8.015 -0.759 1 1 1073 . 6 1 1 A 120 120 ARG HA H 120 3.561 3.986 -0.425 1 1 1076 . 6 1 1 A 120 120 ARG C C 120 174.671 175.498 -0.827 1 1 1077 . 6 1 1 A 120 120 ARG CA C 120 60.041 57.381 2.660 1 1 1078 . 6 1 1 A 120 120 ARG CB C 120 30.079 28.078 2.001 1 1 1081 . 6 1 1 A 120 120 ARG N N 120 116.747 110.560 6.187 1 1 1082 . 6 1 1 A 121 121 ASP H H 121 7.078 10.306 -3.228 1 1 1083 . 6 1 1 A 121 121 ASP HA H 121 4.802 4.423 0.379 1 1 1086 . 6 1 1 A 121 121 ASP C C 121 175.364 174.919 0.445 1 1 1087 . 6 1 1 A 121 121 ASP CA C 121 52.775 55.498 -2.723 1 1 1088 . 6 1 1 A 121 121 ASP CB C 121 41.372 40.263 1.109 1 1 1089 . 6 1 1 A 121 121 ASP N N 121 111.544 116.793 -5.249 1 1 1090 . 6 1 1 A 122 122 ASP H H 122 7.246 8.929 -1.683 1 1 1091 . 6 1 1 A 122 122 ASP HA H 122 4.983 4.323 0.660 1 1 1094 . 6 1 1 A 122 122 ASP CA C 122 51.575 54.881 -3.306 1 1 1095 . 6 1 1 A 122 122 ASP CB C 122 43.576 39.356 4.220 1 1 1096 . 6 1 1 A 122 122 ASP N N 122 122.169 115.406 6.763 1 1 1097 . 6 1 1 A 123 123 PRO HA H 123 4.132 4.371 -0.239 1 1 1100 . 6 1 1 A 123 123 PRO C C 123 178.982 178.364 0.618 1 1 1101 . 6 1 1 A 123 123 PRO CA C 123 65.824 65.375 0.449 1 1 1102 . 6 1 1 A 123 123 PRO CB C 123 32.041 31.524 0.517 1 1 1104 . 6 1 1 A 124 124 SER H H 124 8.333 8.274 0.059 1 1 1105 . 6 1 1 A 124 124 SER HA H 124 4.762 4.359 0.403 1 1 1108 . 6 1 1 A 124 124 SER C C 124 176.716 176.616 0.100 1 1 1109 . 6 1 1 A 124 124 SER CA C 124 62.073 59.298 2.775 1 1 1110 . 6 1 1 A 124 124 SER CB C 124 62.373 63.199 -0.826 1 1 1111 . 6 1 1 A 124 124 SER N N 124 112.482 113.109 -0.627 1 1 1112 . 6 1 1 A 125 125 THR H H 125 7.921 8.007 -0.086 1 1 1113 . 6 1 1 A 125 125 THR HA H 125 4.658 3.980 0.678 1 1 1118 . 6 1 1 A 125 125 THR C C 125 175.789 176.844 -1.055 1 1 1119 . 6 1 1 A 125 125 THR CA C 125 67.686 66.798 0.888 1 1 1121 . 6 1 1 A 125 125 THR N N 125 121.820 116.009 5.811 1 1 1122 . 6 1 1 A 126 126 ILE H H 126 8.234 7.910 0.324 1 1 1123 . 6 1 1 A 126 126 ILE HA H 126 3.550 3.787 -0.237 1 1 1126 . 6 1 1 A 126 126 ILE C C 126 179.057 178.005 1.052 1 1 1127 . 6 1 1 A 126 126 ILE CA C 126 65.032 64.563 0.469 1 1 1128 . 6 1 1 A 126 126 ILE CB C 126 37.064 37.460 -0.396 1 1 1132 . 6 1 1 A 126 126 ILE N N 126 121.486 117.658 3.828 1 1 1133 . 6 1 1 A 127 127 GLU H H 127 8.240 8.161 0.079 1 1 1134 . 6 1 1 A 127 127 GLU HA H 127 4.165 4.013 0.152 1 1 1136 . 6 1 1 A 127 127 GLU C C 127 177.025 179.629 -2.604 1 1 1137 . 6 1 1 A 127 127 GLU CA C 127 59.326 59.618 -0.292 1 1 1138 . 6 1 1 A 127 127 GLU CB C 127 29.330 29.364 -0.034 1 1 1140 . 6 1 1 A 127 127 GLU N N 127 120.249 123.604 -3.355 1 1 1141 . 6 1 1 A 128 128 LYS H H 128 7.919 7.712 0.207 1 1 1142 . 6 1 1 A 128 128 LYS HA H 128 3.978 4.037 -0.059 1 1 1146 . 6 1 1 A 128 128 LYS C C 128 179.838 179.377 0.461 1 1 1147 . 6 1 1 A 128 128 LYS CA C 128 59.938 59.567 0.371 1 1 1148 . 6 1 1 A 128 128 LYS CB C 128 31.691 32.526 -0.835 1 1 1152 . 6 1 1 A 128 128 LYS N N 128 120.679 119.400 1.279 1 1 1153 . 6 1 1 A 129 129 LEU H H 129 8.142 8.250 -0.108 1 1 1154 . 6 1 1 A 129 129 LEU HA H 129 4.128 4.161 -0.033 1 1 1160 . 6 1 1 A 129 129 LEU C C 129 179.701 178.927 0.774 1 1 1161 . 6 1 1 A 129 129 LEU CA C 129 57.904 57.569 0.335 1 1 1162 . 6 1 1 A 129 129 LEU CB C 129 41.674 40.925 0.749 1 1 1165 . 6 1 1 A 129 129 LEU N N 129 118.553 119.120 -0.567 1 1 1166 . 6 1 1 A 130 130 ALA H H 130 8.493 8.715 -0.222 1 1 1167 . 6 1 1 A 130 130 ALA HA H 130 4.286 3.921 0.365 1 1 1171 . 6 1 1 A 130 130 ALA C C 130 182.027 179.486 2.541 1 1 1172 . 6 1 1 A 130 130 ALA CA C 130 55.358 55.372 -0.014 1 1 1173 . 6 1 1 A 130 130 ALA CB C 130 17.069 18.280 -1.211 1 1 1174 . 6 1 1 A 130 130 ALA N N 130 122.578 121.628 0.950 1 1 1175 . 6 1 1 A 131 131 LYS H H 131 8.065 7.672 0.393 1 1 1176 . 6 1 1 A 131 131 LYS HA H 131 4.124 3.975 0.149 1 1 1180 . 6 1 1 A 131 131 LYS C C 131 177.085 178.290 -1.205 1 1 1181 . 6 1 1 A 131 131 LYS CA C 131 59.093 59.489 -0.396 1 1 1182 . 6 1 1 A 131 131 LYS CB C 131 31.782 32.101 -0.319 1 1 1186 . 6 1 1 A 131 131 LYS N N 131 120.347 118.371 1.976 1 1 1187 . 6 1 1 A 132 132 ASN H H 132 7.414 7.926 -0.512 1 1 1188 . 6 1 1 A 132 132 ASN HA H 132 4.983 4.817 0.166 1 1 1193 . 6 1 1 A 132 132 ASN C C 132 173.584 174.221 -0.637 1 1 1194 . 6 1 1 A 132 132 ASN CA C 132 52.195 52.843 -0.648 1 1 1195 . 6 1 1 A 132 132 ASN CB C 132 39.210 38.623 0.587 1 1 1196 . 6 1 1 A 132 132 ASN N N 132 115.667 114.534 1.133 1 1 1198 . 6 1 1 A 133 133 LYS H H 133 8.105 8.006 0.099 1 1 1199 . 6 1 1 A 133 133 LYS HA H 133 3.956 3.827 0.129 1 1 1204 . 6 1 1 A 133 133 LYS C C 133 175.311 174.736 0.575 1 1 1205 . 6 1 1 A 133 133 LYS CA C 133 57.317 57.355 -0.038 1 1 1206 . 6 1 1 A 133 133 LYS CB C 133 28.397 29.168 -0.771 1 1 1210 . 6 1 1 A 133 133 LYS N N 133 113.900 115.828 -1.928 1 1 1211 . 6 1 1 A 134 134 GLN H H 134 8.107 7.397 0.710 1 1 1212 . 6 1 1 A 134 134 GLN HA H 134 4.777 4.692 0.085 1 1 1218 . 6 1 1 A 134 134 GLN C C 134 174.870 174.897 -0.027 1 1 1219 . 6 1 1 A 134 134 GLN CA C 134 53.890 54.670 -0.780 1 1 1220 . 6 1 1 A 134 134 GLN CB C 134 33.095 29.666 3.429 1 1 1222 . 6 1 1 A 134 134 GLN N N 134 116.006 118.101 -2.095 1 1 1224 . 6 1 1 A 135 135 LYS H H 135 7.974 8.440 -0.466 1 1 1225 . 6 1 1 A 135 135 LYS CA C 135 54.077 54.697 -0.620 1 1 1226 . 6 1 1 A 135 135 LYS CB C 135 33.433 31.575 1.858 1 1 1227 . 6 1 1 A 135 135 LYS N N 135 118.646 126.233 -7.587 1 1 1228 . 6 1 1 A 136 136 PRO HA H 136 4.378 4.548 -0.170 1 1 1232 . 6 1 1 A 136 136 PRO C C 136 174.976 175.820 -0.844 1 1 1233 . 6 1 1 A 136 136 PRO CA C 136 62.255 62.519 -0.264 1 1 1234 . 6 1 1 A 136 136 PRO CB C 136 32.147 32.142 0.005 1 1 1237 . 6 1 1 A 137 137 ILE H H 137 9.147 8.428 0.719 1 1 1238 . 6 1 1 A 137 137 ILE HA H 137 3.918 4.316 -0.398 1 1 1245 . 6 1 1 A 137 137 ILE C C 137 176.126 175.619 0.507 1 1 1246 . 6 1 1 A 137 137 ILE CA C 137 59.969 60.651 -0.682 1 1 1247 . 6 1 1 A 137 137 ILE CB C 137 36.848 38.725 -1.877 1 1 1248 . 6 1 1 A 137 137 ILE N N 137 122.234 122.442 -0.208 1 1 1249 . 6 1 1 A 138 138 THR H H 138 7.993 8.672 -0.679 1 1 1250 . 6 1 1 A 138 138 THR HA H 138 4.765 4.653 0.112 1 1 1255 . 6 1 1 A 138 138 THR CA C 138 59.171 60.436 -1.265 1 1 1256 . 6 1 1 A 138 138 THR CB C 138 68.488 69.710 -1.222 1 1 1257 . 6 1 1 A 138 138 THR N N 138 118.389 120.318 -1.929 1 1 1258 . 6 1 1 A 139 139 PRO HA H 139 4.071 4.249 -0.178 1 1 1261 . 6 1 1 A 139 139 PRO C C 139 177.838 177.689 0.149 1 1 1262 . 6 1 1 A 139 139 PRO CA C 139 65.575 65.740 -0.165 1 1 1263 . 6 1 1 A 139 139 PRO CB C 139 31.401 31.940 -0.539 1 1 1265 . 6 1 1 A 140 140 GLU H H 140 8.569 8.369 0.200 1 1 1266 . 6 1 1 A 140 140 GLU HA H 140 3.000 4.080 -1.080 1 1 1270 . 6 1 1 A 140 140 GLU C C 140 179.357 178.435 0.922 1 1 1271 . 6 1 1 A 140 140 GLU CA C 140 60.137 59.459 0.678 1 1 1272 . 6 1 1 A 140 140 GLU CB C 140 28.357 29.454 -1.097 1 1 1273 . 6 1 1 A 140 140 GLU N N 140 114.648 118.096 -3.448 1 1 1274 . 6 1 1 A 141 141 THR H H 141 7.579 7.912 -0.333 1 1 1275 . 6 1 1 A 141 141 THR HA H 141 3.811 4.346 -0.535 1 1 1280 . 6 1 1 A 141 141 THR C C 141 176.395 177.065 -0.670 1 1 1281 . 6 1 1 A 141 141 THR CA C 141 66.113 63.051 3.062 1 1 1282 . 6 1 1 A 141 141 THR CB C 141 68.569 68.823 -0.254 1 1 1284 . 6 1 1 A 141 141 THR N N 141 118.215 117.428 0.787 1 1 1285 . 6 1 1 A 142 142 ALA H H 142 7.562 8.062 -0.500 1 1 1286 . 6 1 1 A 142 142 ALA HA H 142 3.866 4.369 -0.503 1 1 1290 . 6 1 1 A 142 142 ALA C C 142 178.302 179.624 -1.322 1 1 1291 . 6 1 1 A 142 142 ALA CA C 142 55.332 55.477 -0.145 1 1 1292 . 6 1 1 A 142 142 ALA CB C 142 16.606 18.657 -2.051 1 1 1293 . 6 1 1 A 142 142 ALA N N 142 125.491 124.872 0.619 1 1 1294 . 6 1 1 A 143 143 GLU H H 143 8.787 8.448 0.339 1 1 1295 . 6 1 1 A 143 143 GLU HA H 143 3.742 3.428 0.314 1 1 1298 . 6 1 1 A 143 143 GLU C C 143 179.077 179.213 -0.136 1 1 1299 . 6 1 1 A 143 143 GLU CA C 143 59.590 59.268 0.322 1 1 1300 . 6 1 1 A 143 143 GLU CB C 143 28.998 29.071 -0.073 1 1 1302 . 6 1 1 A 143 143 GLU N N 143 117.991 117.910 0.081 1 1 1303 . 6 1 1 A 144 144 LYS H H 144 7.313 7.756 -0.443 1 1 1304 . 6 1 1 A 144 144 LYS HA H 144 3.950 3.992 -0.042 1 1 1307 . 6 1 1 A 144 144 LYS C C 144 177.781 179.194 -1.413 1 1 1308 . 6 1 1 A 144 144 LYS CA C 144 59.370 59.304 0.066 1 1 1309 . 6 1 1 A 144 144 LYS CB C 144 31.718 32.120 -0.402 1 1 1313 . 6 1 1 A 144 144 LYS N N 144 118.815 119.816 -1.001 1 1 1314 . 6 1 1 A 145 145 LEU H H 145 7.326 8.024 -0.698 1 1 1315 . 6 1 1 A 145 145 LEU HA H 145 4.153 3.991 0.162 1 1 1324 . 6 1 1 A 145 145 LEU C C 145 178.162 178.367 -0.205 1 1 1325 . 6 1 1 A 145 145 LEU CA C 145 57.834 57.787 0.047 1 1 1326 . 6 1 1 A 145 145 LEU CB C 145 40.432 41.155 -0.723 1 1 1329 . 6 1 1 A 145 145 LEU N N 145 119.589 121.441 -1.852 1 1 1330 . 6 1 1 A 146 146 ALA H H 146 8.482 7.479 1.003 1 1 1331 . 6 1 1 A 146 146 ALA HA H 146 3.705 4.047 -0.342 1 1 1335 . 6 1 1 A 146 146 ALA C C 146 178.574 179.272 -0.698 1 1 1336 . 6 1 1 A 146 146 ALA CA C 146 55.543 55.135 0.408 1 1 1337 . 6 1 1 A 146 146 ALA CB C 146 17.663 18.061 -0.398 1 1 1338 . 6 1 1 A 146 146 ALA N N 146 118.809 120.521 -1.712 1 1 1339 . 6 1 1 A 147 147 ARG H H 147 7.714 7.831 -0.117 1 1 1340 . 6 1 1 A 147 147 ARG HA H 147 4.175 4.225 -0.050 1 1 1344 . 6 1 1 A 147 147 ARG C C 147 180.165 176.591 3.574 1 1 1345 . 6 1 1 A 147 147 ARG CA C 147 58.995 57.840 1.155 1 1 1346 . 6 1 1 A 147 147 ARG CB C 147 29.657 29.930 -0.273 1 1 1349 . 6 1 1 A 147 147 ARG N N 147 116.011 117.316 -1.305 1 1 1350 . 6 1 1 A 148 148 ASP H H 148 8.461 8.319 0.142 1 1 1351 . 6 1 1 A 148 148 ASP HA H 148 4.324 4.904 -0.580 1 1 1354 . 6 1 1 A 148 148 ASP C C 148 178.284 178.221 0.063 1 1 1355 . 6 1 1 A 148 148 ASP CA C 148 57.501 55.309 2.192 1 1 1356 . 6 1 1 A 148 148 ASP CB C 148 40.172 42.397 -2.225 1 1 1357 . 6 1 1 A 148 148 ASP N N 148 121.913 120.013 1.900 1 1 1358 . 6 1 1 A 149 149 LEU H H 149 8.364 8.552 -0.188 1 1 1359 . 6 1 1 A 149 149 LEU HA H 149 4.365 4.426 -0.061 1 1 1368 . 6 1 1 A 149 149 LEU C C 149 174.985 176.256 -1.271 1 1 1369 . 6 1 1 A 149 149 LEU CA C 149 54.315 55.306 -0.991 1 1 1370 . 6 1 1 A 149 149 LEU CB C 149 41.373 42.450 -1.077 1 1 1373 . 6 1 1 A 149 149 LEU N N 149 115.324 120.362 -5.038 1 1 1374 . 6 1 1 A 150 150 LYS H H 150 7.624 7.913 -0.289 1 1 1375 . 6 1 1 A 150 150 LYS HA H 150 3.783 3.902 -0.119 1 1 1379 . 6 1 1 A 150 150 LYS C C 150 177.003 175.612 1.391 1 1 1380 . 6 1 1 A 150 150 LYS CA C 150 57.457 57.444 0.013 1 1 1381 . 6 1 1 A 150 150 LYS CB C 150 27.730 29.320 -1.590 1 1 1385 . 6 1 1 A 150 150 LYS N N 150 111.768 115.981 -4.213 1 1 1386 . 6 1 1 A 151 151 ALA H H 151 8.248 7.530 0.718 1 1 1387 . 6 1 1 A 151 151 ALA HA H 151 2.979 4.333 -1.354 1 1 1391 . 6 1 1 A 151 151 ALA C C 151 177.944 177.858 0.086 1 1 1392 . 6 1 1 A 151 151 ALA CA C 151 51.231 52.537 -1.306 1 1 1393 . 6 1 1 A 151 151 ALA CB C 151 19.707 19.556 0.151 1 1 1394 . 6 1 1 A 151 151 ALA N N 151 119.649 120.304 -0.655 1 1 1395 . 6 1 1 A 152 152 VAL H H 152 8.684 8.439 0.245 1 1 1396 . 6 1 1 A 152 152 VAL HA H 152 3.478 3.886 -0.408 1 1 1404 . 6 1 1 A 152 152 VAL C C 152 176.367 175.905 0.462 1 1 1405 . 6 1 1 A 152 152 VAL CA C 152 66.127 65.495 0.632 1 1 1406 . 6 1 1 A 152 152 VAL CB C 152 32.285 32.008 0.277 1 1 1409 . 6 1 1 A 152 152 VAL N N 152 120.805 122.638 -1.833 1 1 1410 . 6 1 1 A 153 153 LYS H H 153 6.865 7.673 -0.808 1 1 1411 . 6 1 1 A 153 153 LYS HA H 153 4.344 4.871 -0.527 1 1 1416 . 6 1 1 A 153 153 LYS C C 153 172.951 174.176 -1.225 1 1 1417 . 6 1 1 A 153 153 LYS CA C 153 55.049 55.573 -0.524 1 1 1418 . 6 1 1 A 153 153 LYS CB C 153 34.332 36.447 -2.115 1 1 1422 . 6 1 1 A 153 153 LYS N N 153 108.179 117.703 -9.524 1 1 1423 . 6 1 1 A 154 154 TYR H H 154 8.606 8.708 -0.102 1 1 1424 . 6 1 1 A 154 154 TYR HA H 154 5.761 6.051 -0.290 1 1 1426 . 6 1 1 A 154 154 TYR C C 154 174.216 173.865 0.351 1 1 1427 . 6 1 1 A 154 154 TYR CA C 154 55.910 55.880 0.030 1 1 1428 . 6 1 1 A 154 154 TYR CB C 154 40.457 42.495 -2.038 1 1 1429 . 6 1 1 A 154 154 TYR N N 154 120.249 119.719 0.530 1 1 1430 . 6 1 1 A 155 155 VAL H H 155 8.271 8.431 -0.160 1 1 1431 . 6 1 1 A 155 155 VAL HA H 155 4.138 4.706 -0.568 1 1 1439 . 6 1 1 A 155 155 VAL C C 155 171.653 173.767 -2.114 1 1 1440 . 6 1 1 A 155 155 VAL CA C 155 58.344 60.264 -1.920 1 1 1441 . 6 1 1 A 155 155 VAL CB C 155 34.645 35.468 -0.823 1 1 1444 . 6 1 1 A 155 155 VAL N N 155 121.448 120.966 0.482 1 1 1445 . 6 1 1 A 156 156 GLU H H 156 8.030 9.006 -0.976 1 1 1446 . 6 1 1 A 156 156 GLU HA H 156 5.393 5.239 0.154 1 1 1449 . 6 1 1 A 156 156 GLU C C 156 175.890 175.242 0.648 1 1 1450 . 6 1 1 A 156 156 GLU CA C 156 53.775 55.447 -1.672 1 1 1451 . 6 1 1 A 156 156 GLU CB C 156 31.521 31.359 0.162 1 1 1453 . 6 1 1 A 156 156 GLU N N 156 113.147 127.485 -14.338 1 1 1454 . 6 1 1 A 157 157 CYS H H 157 8.838 8.983 -0.145 1 1 1455 . 6 1 1 A 157 157 CYS HA H 157 5.324 5.074 0.250 1 1 1458 . 6 1 1 A 157 157 CYS C C 157 171.554 172.514 -0.960 1 1 1459 . 6 1 1 A 157 157 CYS CA C 157 55.749 56.860 -1.111 1 1 1460 . 6 1 1 A 157 157 CYS CB C 157 32.041 31.361 0.680 1 1 1461 . 6 1 1 A 157 157 CYS N N 157 111.910 124.134 -12.224 1 1 1462 . 6 1 1 A 158 158 SER H H 158 8.277 8.522 -0.245 1 1 1463 . 6 1 1 A 158 158 SER HA H 158 5.211 4.967 0.244 1 1 1466 . 6 1 1 A 158 158 SER C C 158 176.246 174.568 1.678 1 1 1467 . 6 1 1 A 158 158 SER CA C 158 55.892 56.195 -0.303 1 1 1468 . 6 1 1 A 158 158 SER CB C 158 65.035 65.376 -0.341 1 1 1469 . 6 1 1 A 158 158 SER N N 158 110.284 114.826 -4.542 1 1 1470 . 6 1 1 A 159 159 ALA H H 159 9.297 8.926 0.371 1 1 1471 . 6 1 1 A 159 159 ALA HA H 159 4.210 3.961 0.249 1 1 1475 . 6 1 1 A 159 159 ALA C C 159 177.030 179.170 -2.140 1 1 1476 . 6 1 1 A 159 159 ALA CA C 159 54.522 54.137 0.385 1 1 1477 . 6 1 1 A 159 159 ALA CB C 159 18.828 18.365 0.463 1 1 1478 . 6 1 1 A 159 159 ALA N N 159 132.318 130.168 2.150 1 1 1479 . 6 1 1 A 160 160 LEU H H 160 7.361 7.525 -0.164 1 1 1480 . 6 1 1 A 160 160 LEU HA H 160 3.307 4.025 -0.718 1 1 1485 . 6 1 1 A 160 160 LEU C C 160 177.619 176.295 1.324 1 1 1486 . 6 1 1 A 160 160 LEU CA C 160 57.497 56.987 0.510 1 1 1487 . 6 1 1 A 160 160 LEU CB C 160 43.255 42.105 1.150 1 1 1490 . 6 1 1 A 160 160 LEU N N 160 118.308 117.379 0.929 1 1 1491 . 6 1 1 A 161 161 THR H H 161 8.109 7.771 0.338 1 1 1492 . 6 1 1 A 161 161 THR HA H 161 4.218 4.583 -0.365 1 1 1497 . 6 1 1 A 161 161 THR C C 161 176.064 174.864 1.200 1 1 1498 . 6 1 1 A 161 161 THR CA C 161 61.435 60.488 0.947 1 1 1499 . 6 1 1 A 161 161 THR CB C 161 69.809 71.082 -1.273 1 1 1501 . 6 1 1 A 161 161 THR N N 161 106.273 111.322 -5.049 1 1 1502 . 6 1 1 A 162 162 GLN H H 162 7.457 8.849 -1.392 1 1 1503 . 6 1 1 A 162 162 GLN HA H 162 3.923 4.103 -0.180 1 1 1509 . 6 1 1 A 162 162 GLN C C 162 174.988 176.944 -1.956 1 1 1510 . 6 1 1 A 162 162 GLN CA C 162 59.015 57.233 1.782 1 1 1511 . 6 1 1 A 162 162 GLN CB C 162 25.425 28.457 -3.032 1 1 1513 . 6 1 1 A 162 162 GLN N N 162 112.744 123.264 -10.520 1 1 1515 . 6 1 1 A 163 163 LYS H H 163 7.831 7.648 0.183 1 1 1516 . 6 1 1 A 163 163 LYS HA H 163 4.163 4.259 -0.096 1 1 1519 . 6 1 1 A 163 163 LYS C C 163 177.322 178.034 -0.712 1 1 1520 . 6 1 1 A 163 163 LYS CA C 163 58.055 56.989 1.066 1 1 1521 . 6 1 1 A 163 163 LYS CB C 163 32.041 32.202 -0.161 1 1 1525 . 6 1 1 A 163 163 LYS N N 163 124.132 119.031 5.101 1 1 1526 . 6 1 1 A 164 164 GLY H H 164 9.133 7.786 1.347 1 1 1527 . 6 1 1 A 164 164 GLY HA2 H 164 4.293 3.690 0.603 1 1 1528 . 6 1 1 A 164 164 GLY HA3 H 164 3.860 3.716 0.144 1 1 1529 . 6 1 1 A 164 164 GLY C C 164 174.825 175.321 -0.496 1 1 1530 . 6 1 1 A 164 164 GLY CA C 164 46.375 46.939 -0.564 1 1 1531 . 6 1 1 A 164 164 GLY N N 164 114.473 108.784 5.689 1 1 1532 . 6 1 1 A 165 165 LEU H H 165 7.400 8.288 -0.888 1 1 1533 . 6 1 1 A 165 165 LEU HA H 165 3.792 4.160 -0.368 1 1 1538 . 6 1 1 A 165 165 LEU C C 165 176.722 179.509 -2.787 1 1 1539 . 6 1 1 A 165 165 LEU CA C 165 58.737 57.949 0.788 1 1 1540 . 6 1 1 A 165 165 LEU CB C 165 43.498 41.518 1.980 1 1 1543 . 6 1 1 A 165 165 LEU N N 165 121.187 122.132 -0.945 1 1 1544 . 6 1 1 A 166 166 LYS H H 166 8.580 8.141 0.439 1 1 1545 . 6 1 1 A 166 166 LYS HA H 166 4.151 4.015 0.136 1 1 1548 . 6 1 1 A 166 166 LYS C C 166 179.204 178.536 0.668 1 1 1549 . 6 1 1 A 166 166 LYS CA C 166 60.208 59.819 0.389 1 1 1550 . 6 1 1 A 166 166 LYS CB C 166 31.801 32.084 -0.283 1 1 1554 . 6 1 1 A 166 166 LYS N N 166 116.769 117.608 -0.839 1 1 1555 . 6 1 1 A 167 167 ASN H H 167 8.125 8.055 0.070 1 1 1556 . 6 1 1 A 167 167 ASN HA H 167 4.349 4.528 -0.179 1 1 1559 . 6 1 1 A 167 167 ASN C C 167 175.612 177.562 -1.950 1 1 1560 . 6 1 1 A 167 167 ASN CA C 167 56.686 56.364 0.322 1 1 1561 . 6 1 1 A 167 167 ASN CB C 167 38.650 38.763 -0.113 1 1 1562 . 6 1 1 A 167 167 ASN N N 167 114.773 117.873 -3.100 1 1 1563 . 6 1 1 A 168 168 VAL H H 168 7.365 7.814 -0.449 1 1 1564 . 6 1 1 A 168 168 VAL HA H 168 2.910 3.970 -1.060 1 1 1569 . 6 1 1 A 168 168 VAL C C 168 175.770 178.155 -2.385 1 1 1570 . 6 1 1 A 168 168 VAL CA C 168 67.103 65.172 1.931 1 1 1571 . 6 1 1 A 168 168 VAL CB C 168 30.845 31.359 -0.514 1 1 1574 . 6 1 1 A 168 168 VAL N N 168 117.042 116.806 0.236 1 1 1575 . 6 1 1 A 169 169 PHE H H 169 6.368 8.613 -2.245 1 1 1576 . 6 1 1 A 169 169 PHE HA H 169 3.751 4.218 -0.467 1 1 1579 . 6 1 1 A 169 169 PHE C C 169 178.202 177.317 0.885 1 1 1580 . 6 1 1 A 169 169 PHE CA C 169 61.975 61.428 0.547 1 1 1581 . 6 1 1 A 169 169 PHE CB C 169 38.990 39.138 -0.148 1 1 1582 . 6 1 1 A 169 169 PHE N N 169 113.983 124.194 -10.211 1 1 1583 . 6 1 1 A 170 170 ASP H H 170 7.906 7.950 -0.044 1 1 1584 . 6 1 1 A 170 170 ASP HA H 170 4.338 4.116 0.222 1 1 1586 . 6 1 1 A 170 170 ASP C C 170 178.596 178.293 0.303 1 1 1587 . 6 1 1 A 170 170 ASP CA C 170 57.540 57.259 0.281 1 1 1588 . 6 1 1 A 170 170 ASP CB C 170 39.481 39.998 -0.517 1 1 1589 . 6 1 1 A 170 170 ASP N N 170 120.793 119.246 1.547 1 1 1590 . 6 1 1 A 171 171 GLU H H 171 8.048 7.735 0.313 1 1 1591 . 6 1 1 A 171 171 GLU HA H 171 3.989 4.004 -0.015 1 1 1594 . 6 1 1 A 171 171 GLU C C 171 179.405 178.457 0.948 1 1 1595 . 6 1 1 A 171 171 GLU CA C 171 58.130 59.310 -1.180 1 1 1596 . 6 1 1 A 171 171 GLU CB C 171 27.546 29.187 -1.641 1 1 1598 . 6 1 1 A 171 171 GLU N N 171 115.893 119.302 -3.409 1 1 1599 . 6 1 1 A 172 172 ALA H H 172 7.937 7.699 0.238 1 1 1600 . 6 1 1 A 172 172 ALA HA H 172 3.759 3.993 -0.234 1 1 1604 . 6 1 1 A 172 172 ALA C C 172 177.968 180.278 -2.310 1 1 1605 . 6 1 1 A 172 172 ALA CA C 172 55.395 54.923 0.472 1 1 1606 . 6 1 1 A 172 172 ALA CB C 172 17.084 18.159 -1.075 1 1 1607 . 6 1 1 A 172 172 ALA N N 172 123.733 121.368 2.365 1 1 1608 . 6 1 1 A 173 173 ILE H H 173 7.645 7.176 0.469 1 1 1609 . 6 1 1 A 173 173 ILE HA H 173 3.314 3.546 -0.232 1 1 1615 . 6 1 1 A 173 173 ILE C C 173 177.082 178.551 -1.469 1 1 1616 . 6 1 1 A 173 173 ILE CA C 173 65.755 64.839 0.916 1 1 1617 . 6 1 1 A 173 173 ILE CB C 173 37.448 37.567 -0.119 1 1 1621 . 6 1 1 A 173 173 ILE N N 173 116.213 119.265 -3.052 1 1 1622 . 6 1 1 A 174 174 LEU H H 174 7.703 8.062 -0.359 1 1 1623 . 6 1 1 A 174 174 LEU HA H 174 3.760 3.826 -0.066 1 1 1629 . 6 1 1 A 174 174 LEU C C 174 179.847 178.859 0.988 1 1 1630 . 6 1 1 A 174 174 LEU CA C 174 58.049 57.909 0.140 1 1 1631 . 6 1 1 A 174 174 LEU CB C 174 40.973 41.231 -0.258 1 1 1634 . 6 1 1 A 174 174 LEU N N 174 116.496 119.853 -3.357 1 1 1635 . 6 1 1 A 175 175 ALA H H 175 7.927 7.816 0.111 1 1 1636 . 6 1 1 A 175 175 ALA HA H 175 4.057 3.900 0.157 1 1 1640 . 6 1 1 A 175 175 ALA C C 175 178.605 179.403 -0.798 1 1 1641 . 6 1 1 A 175 175 ALA CA C 175 54.004 55.159 -1.155 1 1 1642 . 6 1 1 A 175 175 ALA CB C 175 18.464 18.159 0.305 1 1 1643 . 6 1 1 A 175 175 ALA N N 175 118.760 121.452 -2.692 1 1 1644 . 6 1 1 A 176 176 ALA H H 176 7.647 7.550 0.097 1 1 1645 . 6 1 1 A 176 176 ALA HA H 176 4.035 3.962 0.073 1 1 1649 . 6 1 1 A 176 176 ALA C C 176 178.284 179.647 -1.363 1 1 1650 . 6 1 1 A 176 176 ALA CA C 176 53.335 54.815 -1.480 1 1 1651 . 6 1 1 A 176 176 ALA CB C 176 18.985 18.053 0.932 1 1 1652 . 6 1 1 A 176 176 ALA N N 176 117.532 120.437 -2.905 1 1 1653 . 6 1 1 A 177 177 LEU H H 177 7.419 7.584 -0.165 1 1 1654 . 6 1 1 A 177 177 LEU HA H 177 4.210 3.838 0.372 1 1 1658 . 6 1 1 A 177 177 LEU C C 177 174.091 178.050 -3.959 1 1 1659 . 6 1 1 A 177 177 LEU CA C 177 55.035 57.566 -2.531 1 1 1660 . 6 1 1 A 177 177 LEU CB C 177 42.340 41.096 1.244 1 1 1663 . 6 1 1 A 177 177 LEU N N 177 115.220 118.698 -3.478 1 1 9 . 7 1 1 A 2 2 GLN H H 2 8.458 8.475 -0.017 1 1 10 . 7 1 1 A 2 2 GLN HA H 2 4.330 5.205 -0.875 1 1 17 . 7 1 1 A 2 2 GLN C C 2 176.274 174.451 1.823 1 1 18 . 7 1 1 A 2 2 GLN CA C 2 55.806 54.600 1.206 1 1 19 . 7 1 1 A 2 2 GLN CB C 2 32.011 31.668 0.343 1 1 21 . 7 1 1 A 2 2 GLN N N 2 121.530 120.653 0.877 1 1 23 . 7 1 1 A 3 3 THR H H 3 7.618 9.120 -1.502 1 1 24 . 7 1 1 A 3 3 THR HA H 3 4.683 4.954 -0.271 1 1 29 . 7 1 1 A 3 3 THR C C 3 173.331 173.253 0.078 1 1 30 . 7 1 1 A 3 3 THR CA C 3 61.640 61.837 -0.197 1 1 31 . 7 1 1 A 3 3 THR CB C 3 70.160 71.257 -1.097 1 1 33 . 7 1 1 A 3 3 THR N N 3 120.510 121.369 -0.859 1 1 34 . 7 1 1 A 4 4 ILE H H 4 9.077 8.982 0.095 1 1 35 . 7 1 1 A 4 4 ILE HA H 4 4.418 4.624 -0.206 1 1 38 . 7 1 1 A 4 4 ILE C C 4 173.824 173.961 -0.137 1 1 39 . 7 1 1 A 4 4 ILE CA C 4 59.775 60.345 -0.570 1 1 40 . 7 1 1 A 4 4 ILE CB C 4 40.441 39.339 1.102 1 1 44 . 7 1 1 A 4 4 ILE N N 4 127.486 126.885 0.601 1 1 45 . 7 1 1 A 5 5 LYS H H 5 10.666 9.012 1.654 1 1 46 . 7 1 1 A 5 5 LYS HA H 5 4.773 4.692 0.081 1 1 47 . 7 1 1 A 5 5 LYS C C 5 174.398 174.978 -0.580 1 1 48 . 7 1 1 A 5 5 LYS CA C 5 56.175 55.491 0.684 1 1 49 . 7 1 1 A 5 5 LYS CB C 5 31.965 33.478 -1.513 1 1 52 . 7 1 1 A 5 5 LYS N N 5 131.626 128.956 2.670 1 1 53 . 7 1 1 A 6 6 CYS H H 6 9.473 8.513 0.960 1 1 54 . 7 1 1 A 6 6 CYS HA H 6 5.580 4.960 0.620 1 1 57 . 7 1 1 A 6 6 CYS C C 6 172.210 172.960 -0.750 1 1 58 . 7 1 1 A 6 6 CYS CA C 6 56.195 56.651 -0.456 1 1 59 . 7 1 1 A 6 6 CYS CB C 6 28.604 30.328 -1.724 1 1 60 . 7 1 1 A 6 6 CYS N N 6 131.522 126.721 4.801 1 1 61 . 7 1 1 A 7 7 VAL H H 7 7.607 8.480 -0.873 1 1 62 . 7 1 1 A 7 7 VAL HA H 7 5.014 4.708 0.306 1 1 70 . 7 1 1 A 7 7 VAL C C 7 174.077 174.926 -0.849 1 1 71 . 7 1 1 A 7 7 VAL CA C 7 60.575 61.350 -0.775 1 1 72 . 7 1 1 A 7 7 VAL CB C 7 33.100 33.744 -0.644 1 1 74 . 7 1 1 A 7 7 VAL N N 7 128.326 127.444 0.882 1 1 75 . 7 1 1 A 8 8 VAL H H 8 8.566 8.474 0.092 1 1 76 . 7 1 1 A 8 8 VAL HA H 8 4.784 5.167 -0.383 1 1 84 . 7 1 1 A 8 8 VAL C C 8 174.443 174.613 -0.170 1 1 85 . 7 1 1 A 8 8 VAL CA C 8 61.573 60.847 0.726 1 1 86 . 7 1 1 A 8 8 VAL CB C 8 32.367 34.089 -1.722 1 1 88 . 7 1 1 A 8 8 VAL N N 8 127.481 127.367 0.114 1 1 89 . 7 1 1 A 9 9 VAL H H 9 8.923 8.673 0.250 1 1 90 . 7 1 1 A 9 9 VAL HA H 9 4.419 4.821 -0.402 1 1 98 . 7 1 1 A 9 9 VAL C C 9 173.171 174.168 -0.997 1 1 99 . 7 1 1 A 9 9 VAL CA C 9 58.397 59.446 -1.049 1 1 100 . 7 1 1 A 9 9 VAL CB C 9 35.085 35.295 -0.210 1 1 102 . 7 1 1 A 9 9 VAL N N 9 116.900 125.814 -8.914 1 1 103 . 7 1 1 A 10 10 GLY H H 10 6.267 8.070 -1.803 1 1 104 . 7 1 1 A 10 10 GLY HA2 H 10 4.159 4.000 0.159 1 1 105 . 7 1 1 A 10 10 GLY HA3 H 10 1.722 4.164 -2.442 1 1 106 . 7 1 1 A 10 10 GLY C C 10 172.378 172.093 0.285 1 1 107 . 7 1 1 A 10 10 GLY CA C 10 42.935 45.760 -2.825 1 1 108 . 7 1 1 A 10 10 GLY N N 10 106.077 112.863 -6.786 1 1 109 . 7 1 1 A 11 11 ASP H H 11 8.399 8.696 -0.297 1 1 110 . 7 1 1 A 11 11 ASP HA H 11 4.737 4.893 -0.156 1 1 112 . 7 1 1 A 11 11 ASP C C 11 177.486 178.045 -0.559 1 1 113 . 7 1 1 A 11 11 ASP CA C 11 55.635 55.048 0.587 1 1 114 . 7 1 1 A 11 11 ASP CB C 11 41.076 42.601 -1.525 1 1 115 . 7 1 1 A 11 11 ASP N N 11 119.142 119.702 -0.560 1 1 116 . 7 1 1 A 12 12 GLY H H 12 8.902 8.813 0.089 1 1 117 . 7 1 1 A 12 12 GLY HA2 H 12 3.954 3.900 0.054 1 1 118 . 7 1 1 A 12 12 GLY HA3 H 12 3.718 3.905 -0.187 1 1 119 . 7 1 1 A 12 12 GLY C C 12 173.624 175.748 -2.124 1 1 120 . 7 1 1 A 12 12 GLY CA C 12 46.955 47.665 -0.710 1 1 121 . 7 1 1 A 12 12 GLY N N 12 104.688 111.482 -6.794 1 1 122 . 7 1 1 A 13 13 ALA H H 13 10.666 7.584 3.082 1 1 123 . 7 1 1 A 13 13 ALA HA H 13 4.067 4.182 -0.115 1 1 127 . 7 1 1 A 13 13 ALA CA C 13 53.455 52.628 0.827 1 1 128 . 7 1 1 A 13 13 ALA CB C 13 15.706 20.195 -4.489 1 1 129 . 7 1 1 A 13 13 ALA N N 13 123.135 123.577 -0.442 1 1 130 . 7 1 1 A 14 14 VAL H H 14 7.663 8.619 -0.956 1 1 131 . 7 1 1 A 14 14 VAL HA H 14 4.146 3.902 0.244 1 1 132 . 7 1 1 A 14 14 VAL C C 14 175.007 175.621 -0.614 1 1 133 . 7 1 1 A 14 14 VAL CA C 14 62.015 62.851 -0.836 1 1 134 . 7 1 1 A 14 14 VAL N N 14 118.803 115.644 3.159 1 1 135 . 7 1 1 A 15 15 GLY H H 15 8.686 8.600 0.086 1 1 136 . 7 1 1 A 15 15 GLY HA2 H 15 4.838 3.871 0.967 1 1 137 . 7 1 1 A 15 15 GLY HA3 H 15 4.312 3.954 0.358 1 1 138 . 7 1 1 A 15 15 GLY C C 15 175.934 175.138 0.796 1 1 139 . 7 1 1 A 15 15 GLY CA C 15 44.835 46.966 -2.131 1 1 140 . 7 1 1 A 15 15 GLY N N 15 110.360 114.596 -4.236 1 1 141 . 7 1 1 A 16 16 LYS H H 16 10.352 8.545 1.807 1 1 142 . 7 1 1 A 16 16 LYS HA H 16 3.575 3.980 -0.405 1 1 143 . 7 1 1 A 16 16 LYS C C 16 176.582 179.119 -2.537 1 1 144 . 7 1 1 A 16 16 LYS CA C 16 60.695 59.480 1.215 1 1 145 . 7 1 1 A 16 16 LYS CB C 16 29.661 32.180 -2.519 1 1 146 . 7 1 1 A 16 16 LYS N N 16 125.835 125.972 -0.137 1 1 147 . 7 1 1 A 17 17 THR H H 17 9.024 7.925 1.099 1 1 148 . 7 1 1 A 17 17 THR HA H 17 3.930 3.870 0.060 1 1 153 . 7 1 1 A 17 17 THR C C 17 177.493 176.688 0.805 1 1 154 . 7 1 1 A 17 17 THR CA C 17 66.984 66.647 0.337 1 1 155 . 7 1 1 A 17 17 THR CB C 17 67.298 68.370 -1.072 1 1 157 . 7 1 1 A 17 17 THR N N 17 118.089 117.279 0.810 1 1 158 . 7 1 1 A 18 18 CYS H H 18 9.773 8.083 1.690 1 1 159 . 7 1 1 A 18 18 CYS HA H 18 3.580 3.995 -0.415 1 1 162 . 7 1 1 A 18 18 CYS C C 18 176.716 176.935 -0.219 1 1 163 . 7 1 1 A 18 18 CYS CA C 18 65.816 62.923 2.893 1 1 164 . 7 1 1 A 18 18 CYS CB C 18 27.655 26.755 0.900 1 1 165 . 7 1 1 A 18 18 CYS N N 18 119.747 118.326 1.421 1 1 166 . 7 1 1 A 19 19 LEU H H 19 8.195 7.781 0.414 1 1 167 . 7 1 1 A 19 19 LEU HA H 19 3.940 4.248 -0.308 1 1 174 . 7 1 1 A 19 19 LEU C C 19 177.177 179.036 -1.859 1 1 175 . 7 1 1 A 19 19 LEU CA C 19 59.366 57.976 1.390 1 1 176 . 7 1 1 A 19 19 LEU CB C 19 41.377 41.688 -0.311 1 1 178 . 7 1 1 A 19 19 LEU N N 19 121.557 123.087 -1.530 1 1 179 . 7 1 1 A 20 20 LEU H H 20 7.270 7.597 -0.327 1 1 180 . 7 1 1 A 20 20 LEU HA H 20 3.840 4.148 -0.308 1 1 189 . 7 1 1 A 20 20 LEU C C 20 180.155 179.080 1.075 1 1 190 . 7 1 1 A 20 20 LEU CA C 20 57.629 57.852 -0.223 1 1 191 . 7 1 1 A 20 20 LEU CB C 20 41.498 41.513 -0.015 1 1 194 . 7 1 1 A 20 20 LEU N N 20 117.986 117.936 0.050 1 1 195 . 7 1 1 A 21 21 ILE H H 21 8.619 7.896 0.723 1 1 196 . 7 1 1 A 21 21 ILE HA H 21 3.090 3.592 -0.502 1 1 202 . 7 1 1 A 21 21 ILE C C 21 179.125 178.149 0.976 1 1 203 . 7 1 1 A 21 21 ILE CA C 21 66.129 64.797 1.332 1 1 204 . 7 1 1 A 21 21 ILE CB C 21 38.338 37.572 0.766 1 1 208 . 7 1 1 A 21 21 ILE N N 21 121.078 120.192 0.886 1 1 209 . 7 1 1 A 22 22 SER H H 22 8.899 8.749 0.150 1 1 210 . 7 1 1 A 22 22 SER HA H 22 4.517 4.267 0.250 1 1 213 . 7 1 1 A 22 22 SER C C 22 176.876 176.679 0.197 1 1 214 . 7 1 1 A 22 22 SER CA C 22 61.380 60.466 0.914 1 1 215 . 7 1 1 A 22 22 SER CB C 22 63.882 63.376 0.506 1 1 216 . 7 1 1 A 22 22 SER N N 22 118.286 115.176 3.110 1 1 217 . 7 1 1 A 23 23 TYR H H 23 7.951 7.553 0.398 1 1 218 . 7 1 1 A 23 23 TYR HA H 23 4.264 4.289 -0.025 1 1 223 . 7 1 1 A 23 23 TYR C C 23 176.820 177.913 -1.093 1 1 224 . 7 1 1 A 23 23 TYR CA C 23 60.474 61.055 -0.581 1 1 225 . 7 1 1 A 23 23 TYR CB C 23 39.531 38.605 0.926 1 1 226 . 7 1 1 A 23 23 TYR N N 23 117.292 123.068 -5.776 1 1 227 . 7 1 1 A 24 24 THR H H 24 7.702 7.942 -0.240 1 1 228 . 7 1 1 A 24 24 THR HA H 24 3.614 4.070 -0.456 1 1 233 . 7 1 1 A 24 24 THR C C 24 176.500 175.181 1.319 1 1 234 . 7 1 1 A 24 24 THR CA C 24 64.095 65.309 -1.214 1 1 235 . 7 1 1 A 24 24 THR CB C 24 70.437 68.278 2.159 1 1 237 . 7 1 1 A 24 24 THR N N 24 105.659 112.839 -7.180 1 1 238 . 7 1 1 A 25 25 THR H H 25 8.080 7.621 0.459 1 1 239 . 7 1 1 A 25 25 THR HA H 25 4.556 4.506 0.050 1 1 244 . 7 1 1 A 25 25 THR C C 25 175.025 174.273 0.752 1 1 245 . 7 1 1 A 25 25 THR CA C 25 61.975 61.144 0.831 1 1 246 . 7 1 1 A 25 25 THR CB C 25 72.012 70.960 1.052 1 1 248 . 7 1 1 A 25 25 THR N N 25 109.689 110.137 -0.448 1 1 249 . 7 1 1 A 26 26 ASN H H 26 7.603 8.307 -0.704 1 1 250 . 7 1 1 A 26 26 ASN HA H 26 4.501 4.938 -0.437 1 1 253 . 7 1 1 A 26 26 ASN C C 26 173.259 173.723 -0.464 1 1 254 . 7 1 1 A 26 26 ASN CA C 26 55.218 54.118 1.100 1 1 255 . 7 1 1 A 26 26 ASN CB C 26 38.009 37.251 0.758 1 1 256 . 7 1 1 A 26 26 ASN N N 26 115.569 119.752 -4.183 1 1 257 . 7 1 1 A 27 27 LYS H H 27 7.698 8.164 -0.466 1 1 258 . 7 1 1 A 27 27 LYS HA H 27 4.431 4.673 -0.242 1 1 261 . 7 1 1 A 27 27 LYS C C 27 173.500 176.471 -2.971 1 1 262 . 7 1 1 A 27 27 LYS CA C 27 55.163 55.604 -0.441 1 1 263 . 7 1 1 A 27 27 LYS CB C 27 35.034 32.687 2.347 1 1 267 . 7 1 1 A 27 27 LYS N N 27 118.253 125.920 -7.667 1 1 268 . 7 1 1 A 28 28 PHE H H 28 8.554 8.062 0.492 1 1 269 . 7 1 1 A 28 28 PHE CA C 28 55.575 62.596 -7.021 1 1 270 . 7 1 1 A 28 28 PHE CB C 28 39.322 38.085 1.237 1 1 271 . 7 1 1 A 28 28 PHE N N 28 125.682 122.919 2.763 1 1 272 . 7 1 1 A 29 29 PRO HA H 29 4.373 4.446 -0.073 1 1 274 . 7 1 1 A 29 29 PRO C C 29 173.611 178.556 -4.945 1 1 275 . 7 1 1 A 29 29 PRO CA C 29 61.978 64.775 -2.797 1 1 276 . 7 1 1 A 29 29 PRO CB C 29 30.039 31.592 -1.553 1 1 279 . 7 1 1 A 30 30 SER H H 30 7.993 8.097 -0.104 1 1 280 . 7 1 1 A 30 30 SER HA H 30 4.285 4.327 -0.042 1 1 283 . 7 1 1 A 30 30 SER C C 30 174.665 174.513 0.152 1 1 284 . 7 1 1 A 30 30 SER CA C 30 58.948 61.660 -2.712 1 1 285 . 7 1 1 A 30 30 SER CB C 30 64.019 63.238 0.781 1 1 286 . 7 1 1 A 30 30 SER N N 30 116.682 114.013 2.669 1 1 287 . 7 1 1 A 31 31 GLU H H 31 8.198 7.935 0.263 1 1 288 . 7 1 1 A 31 31 GLU HA H 31 4.308 3.826 0.482 1 1 292 . 7 1 1 A 31 31 GLU C C 31 175.157 175.518 -0.361 1 1 293 . 7 1 1 A 31 31 GLU CA C 31 56.846 57.619 -0.773 1 1 294 . 7 1 1 A 31 31 GLU CB C 31 30.113 27.316 2.797 1 1 296 . 7 1 1 A 31 31 GLU N N 31 120.151 117.034 3.117 1 1 297 . 7 1 1 A 32 32 TYR H H 32 7.714 8.181 -0.467 1 1 298 . 7 1 1 A 32 32 TYR HA H 32 4.407 4.594 -0.187 1 1 302 . 7 1 1 A 32 32 TYR C C 32 173.544 175.892 -2.348 1 1 303 . 7 1 1 A 32 32 TYR CA C 32 58.368 59.917 -1.549 1 1 304 . 7 1 1 A 32 32 TYR CB C 32 38.614 39.618 -1.004 1 1 305 . 7 1 1 A 32 32 TYR N N 32 118.548 118.812 -0.264 1 1 306 . 7 1 1 A 33 33 VAL H H 33 7.764 8.020 -0.256 1 1 307 . 7 1 1 A 33 33 VAL HA H 33 4.048 3.696 0.352 1 1 315 . 7 1 1 A 33 33 VAL CA C 33 58.575 62.582 -4.007 1 1 316 . 7 1 1 A 33 33 VAL CB C 33 33.600 30.037 3.563 1 1 317 . 7 1 1 A 33 33 VAL N N 33 125.992 117.718 8.274 1 1 318 . 7 1 1 A 34 34 PRO HA H 34 4.215 4.520 -0.305 1 1 320 . 7 1 1 A 34 34 PRO C C 34 175.627 176.366 -0.739 1 1 321 . 7 1 1 A 34 34 PRO CA C 34 61.655 64.135 -2.480 1 1 322 . 7 1 1 A 34 34 PRO CB C 34 31.965 32.156 -0.191 1 1 325 . 7 1 1 A 35 35 ALA H H 35 8.503 7.297 1.206 1 1 326 . 7 1 1 A 35 35 ALA HA H 35 4.190 4.417 -0.227 1 1 330 . 7 1 1 A 35 35 ALA C C 35 178.295 175.217 3.078 1 1 331 . 7 1 1 A 35 35 ALA CA C 35 54.499 51.807 2.692 1 1 332 . 7 1 1 A 35 35 ALA CB C 35 18.235 19.948 -1.713 1 1 333 . 7 1 1 A 35 35 ALA N N 35 123.063 116.642 6.421 1 1 334 . 7 1 1 A 36 36 VAL H H 36 8.032 8.311 -0.279 1 1 335 . 7 1 1 A 36 36 VAL HA H 36 4.258 4.849 -0.591 1 1 340 . 7 1 1 A 36 36 VAL CA C 36 60.200 59.314 0.886 1 1 341 . 7 1 1 A 36 36 VAL CB C 36 29.879 35.720 -5.841 1 1 342 . 7 1 1 A 36 36 VAL N N 36 116.770 122.411 -5.641 1 1 344 . 7 1 1 A 37 37 PHE C C 37 174.502 174.093 0.409 1 1 345 . 7 1 1 A 37 37 PHE CA C 37 56.175 56.071 0.104 1 1 346 . 7 1 1 A 37 37 PHE CB C 37 40.231 38.929 1.302 1 1 347 . 7 1 1 A 38 38 ASP H H 38 7.602 8.218 -0.616 1 1 348 . 7 1 1 A 38 38 ASP HA H 38 4.343 5.159 -0.816 1 1 351 . 7 1 1 A 38 38 ASP C C 38 174.386 173.511 0.875 1 1 352 . 7 1 1 A 38 38 ASP CA C 38 54.323 52.990 1.333 1 1 353 . 7 1 1 A 38 38 ASP CB C 38 40.815 44.490 -3.675 1 1 354 . 7 1 1 A 38 38 ASP N N 38 125.774 119.422 6.352 1 1 355 . 7 1 1 A 39 39 ASN H H 39 7.917 8.488 -0.571 1 1 356 . 7 1 1 A 39 39 ASN HA H 39 4.303 5.069 -0.766 1 1 360 . 7 1 1 A 39 39 ASN C C 39 173.897 173.505 0.392 1 1 361 . 7 1 1 A 39 39 ASN CA C 39 54.317 52.118 2.199 1 1 362 . 7 1 1 A 39 39 ASN CB C 39 38.180 40.024 -1.844 1 1 363 . 7 1 1 A 39 39 ASN N N 39 117.429 119.441 -2.012 1 1 365 . 7 1 1 A 40 40 TYR H H 40 7.726 8.907 -1.181 1 1 366 . 7 1 1 A 40 40 TYR HA H 40 4.513 5.285 -0.772 1 1 370 . 7 1 1 A 40 40 TYR C C 40 172.772 174.606 -1.834 1 1 371 . 7 1 1 A 40 40 TYR CA C 40 57.335 56.540 0.795 1 1 372 . 7 1 1 A 40 40 TYR CB C 40 42.956 42.308 0.648 1 1 373 . 7 1 1 A 40 40 TYR N N 40 122.998 124.324 -1.326 1 1 374 . 7 1 1 A 41 41 ALA H H 41 7.651 8.956 -1.305 1 1 375 . 7 1 1 A 41 41 ALA HA H 41 5.636 5.490 0.146 1 1 379 . 7 1 1 A 41 41 ALA C C 41 175.778 175.871 -0.093 1 1 380 . 7 1 1 A 41 41 ALA CA C 41 50.456 50.032 0.424 1 1 381 . 7 1 1 A 41 41 ALA CB C 41 20.492 23.033 -2.541 1 1 382 . 7 1 1 A 41 41 ALA N N 41 127.028 123.850 3.178 1 1 383 . 7 1 1 A 42 42 VAL H H 42 8.781 9.280 -0.499 1 1 384 . 7 1 1 A 42 42 VAL HA H 42 4.564 5.037 -0.473 1 1 389 . 7 1 1 A 42 42 VAL C C 42 173.852 174.887 -1.035 1 1 390 . 7 1 1 A 42 42 VAL CA C 42 59.278 60.684 -1.406 1 1 391 . 7 1 1 A 42 42 VAL CB C 42 35.342 34.965 0.377 1 1 393 . 7 1 1 A 42 42 VAL N N 42 117.471 120.633 -3.162 1 1 394 . 7 1 1 A 43 43 THR H H 43 8.566 8.932 -0.366 1 1 395 . 7 1 1 A 43 43 THR HA H 43 5.124 4.967 0.157 1 1 400 . 7 1 1 A 43 43 THR C C 43 174.210 173.977 0.233 1 1 401 . 7 1 1 A 43 43 THR CA C 43 62.434 62.089 0.345 1 1 402 . 7 1 1 A 43 43 THR CB C 43 69.296 70.276 -0.980 1 1 404 . 7 1 1 A 43 43 THR N N 43 120.850 124.028 -3.178 1 1 405 . 7 1 1 A 44 44 VAL H H 44 9.442 8.979 0.463 1 1 406 . 7 1 1 A 44 44 VAL HA H 44 4.367 4.858 -0.491 1 1 411 . 7 1 1 A 44 44 VAL C C 44 174.061 174.124 -0.063 1 1 412 . 7 1 1 A 44 44 VAL CA C 44 60.639 61.232 -0.593 1 1 413 . 7 1 1 A 44 44 VAL CB C 44 35.053 34.298 0.755 1 1 415 . 7 1 1 A 44 44 VAL N N 44 127.764 127.588 0.176 1 1 416 . 7 1 1 A 45 45 MET H H 45 8.513 9.230 -0.717 1 1 417 . 7 1 1 A 45 45 MET HA H 45 5.272 5.318 -0.046 1 1 421 . 7 1 1 A 45 45 MET C C 45 176.395 175.124 1.271 1 1 422 . 7 1 1 A 45 45 MET CA C 45 53.264 54.323 -1.059 1 1 423 . 7 1 1 A 45 45 MET CB C 45 31.692 35.707 -4.015 1 1 424 . 7 1 1 A 45 45 MET N N 45 123.063 128.264 -5.201 1 1 425 . 7 1 1 A 46 46 ILE H H 46 9.103 8.168 0.935 1 1 426 . 7 1 1 A 46 46 ILE HA H 46 4.382 4.809 -0.427 1 1 434 . 7 1 1 A 46 46 ILE C C 46 177.661 175.514 2.147 1 1 435 . 7 1 1 A 46 46 ILE CA C 46 59.755 58.911 0.844 1 1 436 . 7 1 1 A 46 46 ILE CB C 46 38.913 41.439 -2.526 1 1 440 . 7 1 1 A 46 46 ILE N N 46 125.267 123.657 1.610 1 1 441 . 7 1 1 A 47 47 GLY H H 47 9.385 9.350 0.035 1 1 442 . 7 1 1 A 47 47 GLY HA2 H 47 4.755 3.900 0.855 1 1 443 . 7 1 1 A 47 47 GLY HA3 H 47 3.851 3.912 -0.061 1 1 444 . 7 1 1 A 47 47 GLY C C 47 175.195 175.324 -0.129 1 1 445 . 7 1 1 A 47 47 GLY CA C 47 47.015 46.755 0.260 1 1 446 . 7 1 1 A 47 47 GLY N N 47 119.278 113.280 5.998 1 1 447 . 7 1 1 A 48 48 GLY H H 48 8.606 8.701 -0.095 1 1 448 . 7 1 1 A 48 48 GLY HA2 H 48 4.140 3.890 0.250 1 1 449 . 7 1 1 A 48 48 GLY HA3 H 48 3.623 3.893 -0.270 1 1 450 . 7 1 1 A 48 48 GLY C C 48 172.844 173.998 -1.154 1 1 451 . 7 1 1 A 48 48 GLY CA C 48 44.889 45.462 -0.573 1 1 452 . 7 1 1 A 48 48 GLY N N 48 104.656 107.981 -3.325 1 1 453 . 7 1 1 A 49 49 GLU H H 49 7.722 9.843 -2.121 1 1 454 . 7 1 1 A 49 49 GLU HA H 49 4.182 4.493 -0.311 1 1 457 . 7 1 1 A 49 49 GLU CA C 49 52.336 53.353 -1.017 1 1 458 . 7 1 1 A 49 49 GLU CB C 49 31.160 30.363 0.797 1 1 459 . 7 1 1 A 49 49 GLU N N 49 120.543 121.486 -0.943 1 1 460 . 7 1 1 A 50 50 PRO HA H 50 4.977 4.421 0.556 1 1 462 . 7 1 1 A 50 50 PRO C C 50 177.922 175.060 2.862 1 1 463 . 7 1 1 A 50 50 PRO CA C 50 62.080 62.886 -0.806 1 1 464 . 7 1 1 A 50 50 PRO CB C 50 32.147 32.403 -0.256 1 1 465 . 7 1 1 A 51 51 TYR H H 51 9.148 8.326 0.822 1 1 466 . 7 1 1 A 51 51 TYR HA H 51 4.683 5.148 -0.465 1 1 470 . 7 1 1 A 51 51 TYR C C 51 176.400 174.073 2.327 1 1 471 . 7 1 1 A 51 51 TYR CA C 51 57.344 56.503 0.841 1 1 472 . 7 1 1 A 51 51 TYR CB C 51 41.669 43.641 -1.972 1 1 473 . 7 1 1 A 51 51 TYR N N 51 121.300 121.871 -0.571 1 1 474 . 7 1 1 A 52 52 THR H H 52 8.889 8.801 0.088 1 1 475 . 7 1 1 A 52 52 THR HA H 52 4.113 5.108 -0.995 1 1 477 . 7 1 1 A 52 52 THR C C 52 172.149 172.904 -0.755 1 1 478 . 7 1 1 A 52 52 THR CA C 52 62.400 61.723 0.677 1 1 479 . 7 1 1 A 52 52 THR CB C 52 69.447 70.361 -0.914 1 1 481 . 7 1 1 A 52 52 THR N N 52 119.482 116.141 3.341 1 1 482 . 7 1 1 A 53 53 LEU H H 53 9.480 9.600 -0.120 1 1 483 . 7 1 1 A 53 53 LEU HA H 53 5.030 5.268 -0.238 1 1 491 . 7 1 1 A 53 53 LEU C C 53 174.307 174.783 -0.476 1 1 492 . 7 1 1 A 53 53 LEU CA C 53 53.375 53.579 -0.204 1 1 493 . 7 1 1 A 53 53 LEU CB C 53 44.216 45.285 -1.069 1 1 496 . 7 1 1 A 53 53 LEU N N 53 131.364 129.644 1.720 1 1 497 . 7 1 1 A 54 54 GLY H H 54 9.749 8.623 1.126 1 1 498 . 7 1 1 A 54 54 GLY HA2 H 54 4.571 4.250 0.321 1 1 499 . 7 1 1 A 54 54 GLY HA3 H 54 3.577 4.267 -0.690 1 1 500 . 7 1 1 A 54 54 GLY C C 54 171.929 172.108 -0.179 1 1 501 . 7 1 1 A 54 54 GLY CA C 54 45.195 44.618 0.577 1 1 502 . 7 1 1 A 54 54 GLY N N 54 115.640 114.393 1.247 1 1 503 . 7 1 1 A 55 55 LEU H H 55 8.623 9.200 -0.577 1 1 504 . 7 1 1 A 55 55 LEU HA H 55 5.104 5.273 -0.169 1 1 510 . 7 1 1 A 55 55 LEU C C 55 176.000 175.475 0.525 1 1 511 . 7 1 1 A 55 55 LEU CA C 55 54.202 53.315 0.887 1 1 512 . 7 1 1 A 55 55 LEU CB C 55 44.057 42.965 1.092 1 1 515 . 7 1 1 A 55 55 LEU N N 55 125.141 126.869 -1.728 1 1 516 . 7 1 1 A 56 56 PHE H H 56 8.735 8.701 0.034 1 1 517 . 7 1 1 A 56 56 PHE HA H 56 4.821 5.476 -0.655 1 1 521 . 7 1 1 A 56 56 PHE C C 56 173.130 173.883 -0.753 1 1 522 . 7 1 1 A 56 56 PHE CA C 56 56.833 56.046 0.787 1 1 523 . 7 1 1 A 56 56 PHE CB C 56 40.776 41.933 -1.157 1 1 524 . 7 1 1 A 56 56 PHE N N 56 122.065 125.684 -3.619 1 1 525 . 7 1 1 A 57 57 ASP H H 57 9.093 8.515 0.578 1 1 526 . 7 1 1 A 57 57 ASP HA H 57 4.877 5.101 -0.224 1 1 529 . 7 1 1 A 57 57 ASP C C 57 175.941 176.016 -0.075 1 1 530 . 7 1 1 A 57 57 ASP CA C 57 51.755 51.921 -0.166 1 1 531 . 7 1 1 A 57 57 ASP CB C 57 43.082 41.807 1.275 1 1 532 . 7 1 1 A 57 57 ASP N N 57 124.050 125.178 -1.128 1 1 533 . 7 1 1 A 58 58 THR H H 58 8.621 8.470 0.151 1 1 534 . 7 1 1 A 58 58 THR HA H 58 3.905 4.271 -0.366 1 1 535 . 7 1 1 A 58 58 THR C C 58 172.124 174.137 -2.013 1 1 536 . 7 1 1 A 58 58 THR CA C 58 60.335 64.608 -4.273 1 1 537 . 7 1 1 A 58 58 THR CB C 58 74.469 69.187 5.282 1 1 538 . 7 1 1 A 58 58 THR N N 58 109.327 116.451 -7.124 1 1 539 . 7 1 1 A 59 59 ALA H H 59 8.695 8.689 0.006 1 1 540 . 7 1 1 A 59 59 ALA HA H 59 4.565 4.337 0.228 1 1 544 . 7 1 1 A 59 59 ALA CA C 59 50.475 53.201 -2.726 1 1 545 . 7 1 1 A 59 59 ALA CB C 59 18.224 20.778 -2.554 1 1 546 . 7 1 1 A 59 59 ALA N N 59 123.129 128.052 -4.923 1 1 547 . 7 1 1 A 60 60 GLY H H 60 8.630 8.263 0.367 1 1 548 . 7 1 1 A 60 60 GLY HA2 H 60 4.420 3.936 0.484 1 1 549 . 7 1 1 A 60 60 GLY HA3 H 60 3.902 3.968 -0.066 1 1 550 . 7 1 1 A 60 60 GLY C C 60 173.122 174.813 -1.691 1 1 551 . 7 1 1 A 60 60 GLY CA C 60 46.178 46.152 0.026 1 1 552 . 7 1 1 A 60 60 GLY N N 60 109.449 107.092 2.357 1 1 553 . 7 1 1 A 61 61 GLN H H 61 8.553 8.140 0.413 1 1 554 . 7 1 1 A 61 61 GLN HA H 61 4.492 4.637 -0.145 1 1 560 . 7 1 1 A 61 61 GLN C C 61 177.014 176.219 0.795 1 1 561 . 7 1 1 A 61 61 GLN CA C 61 56.895 54.700 2.195 1 1 562 . 7 1 1 A 61 61 GLN CB C 61 28.863 27.371 1.492 1 1 564 . 7 1 1 A 61 61 GLN N N 61 118.471 119.375 -0.904 1 1 566 . 7 1 1 A 62 62 GLU H H 62 9.082 8.108 0.974 1 1 567 . 7 1 1 A 62 62 GLU HA H 62 4.292 4.044 0.248 1 1 570 . 7 1 1 A 62 62 GLU C C 62 178.273 178.544 -0.271 1 1 571 . 7 1 1 A 62 62 GLU CA C 62 58.361 59.485 -1.124 1 1 572 . 7 1 1 A 62 62 GLU CB C 62 28.579 29.090 -0.511 1 1 574 . 7 1 1 A 62 62 GLU N N 62 122.087 120.958 1.129 1 1 575 . 7 1 1 A 63 63 ASP H H 63 8.636 8.176 0.460 1 1 576 . 7 1 1 A 63 63 ASP HA H 63 4.348 4.143 0.205 1 1 579 . 7 1 1 A 63 63 ASP C C 63 176.712 177.234 -0.522 1 1 580 . 7 1 1 A 63 63 ASP CA C 63 55.587 57.146 -1.559 1 1 581 . 7 1 1 A 63 63 ASP CB C 63 39.571 40.322 -0.751 1 1 582 . 7 1 1 A 63 63 ASP N N 63 117.009 118.884 -1.875 1 1 583 . 7 1 1 A 64 64 TYR H H 64 8.061 7.317 0.744 1 1 584 . 7 1 1 A 64 64 TYR HA H 64 4.609 4.593 0.016 1 1 587 . 7 1 1 A 64 64 TYR C C 64 176.254 174.521 1.733 1 1 588 . 7 1 1 A 64 64 TYR CA C 64 58.231 57.555 0.676 1 1 589 . 7 1 1 A 64 64 TYR CB C 64 38.650 38.944 -0.294 1 1 590 . 7 1 1 A 64 64 TYR N N 64 117.063 116.058 1.005 1 1 591 . 7 1 1 A 65 65 ASP H H 65 8.064 8.486 -0.422 1 1 592 . 7 1 1 A 65 65 ASP HA H 65 4.439 4.415 0.024 1 1 594 . 7 1 1 A 65 65 ASP C C 65 175.163 175.965 -0.802 1 1 595 . 7 1 1 A 65 65 ASP CA C 65 57.971 55.377 2.594 1 1 596 . 7 1 1 A 65 65 ASP N N 65 122.196 117.018 5.178 1 1 597 . 7 1 1 A 66 66 ARG H H 66 8.537 8.302 0.235 1 1 598 . 7 1 1 A 66 66 ARG HA H 66 4.345 4.025 0.320 1 1 599 . 7 1 1 A 66 66 ARG C C 66 175.009 177.696 -2.687 1 1 600 . 7 1 1 A 66 66 ARG CA C 66 56.217 58.726 -2.509 1 1 601 . 7 1 1 A 66 66 ARG N N 66 122.224 118.836 3.388 1 1 602 . 7 1 1 A 67 67 LEU H H 67 8.336 7.747 0.589 1 1 603 . 7 1 1 A 67 67 LEU HA H 67 4.037 4.345 -0.308 1 1 604 . 7 1 1 A 67 67 LEU CA C 67 61.694 54.927 6.767 1 1 605 . 7 1 1 A 67 67 LEU N N 67 117.734 118.742 -1.008 1 1 607 . 7 1 1 A 69 69 PRO C C 69 178.122 176.534 1.588 1 1 608 . 7 1 1 A 69 69 PRO CA C 69 63.575 65.431 -1.856 1 1 611 . 7 1 1 A 70 70 LEU H H 70 7.470 7.431 0.039 1 1 612 . 7 1 1 A 70 70 LEU HA H 70 4.031 4.450 -0.419 1 1 621 . 7 1 1 A 70 70 LEU C C 70 178.756 176.025 2.731 1 1 622 . 7 1 1 A 70 70 LEU CA C 70 56.944 54.583 2.361 1 1 623 . 7 1 1 A 70 70 LEU CB C 70 40.002 43.871 -3.869 1 1 626 . 7 1 1 A 70 70 LEU N N 70 118.335 115.881 2.454 1 1 627 . 7 1 1 A 71 71 SER H H 71 7.882 8.309 -0.427 1 1 628 . 7 1 1 A 71 71 SER HA H 71 4.461 4.063 0.398 1 1 630 . 7 1 1 A 71 71 SER C C 71 179.200 173.086 6.114 1 1 631 . 7 1 1 A 71 71 SER CA C 71 59.710 60.319 -0.609 1 1 632 . 7 1 1 A 71 71 SER CB C 71 63.841 63.072 0.769 1 1 633 . 7 1 1 A 71 71 SER N N 71 111.784 121.091 -9.307 1 1 634 . 7 1 1 A 72 72 TYR H H 72 7.362 7.015 0.347 1 1 635 . 7 1 1 A 72 72 TYR CA C 72 56.002 56.184 -0.182 1 1 636 . 7 1 1 A 72 72 TYR CB C 72 35.144 40.267 -5.123 1 1 637 . 7 1 1 A 72 72 TYR N N 72 119.959 118.533 1.426 1 1 638 . 7 1 1 A 73 73 PRO HA H 73 4.231 4.451 -0.220 1 1 639 . 7 1 1 A 73 73 PRO C C 73 176.096 176.449 -0.353 1 1 640 . 7 1 1 A 73 73 PRO CA C 73 66.055 65.516 0.539 1 1 641 . 7 1 1 A 73 73 PRO CB C 73 35.726 31.688 4.038 1 1 642 . 7 1 1 A 74 74 GLN H H 74 8.995 7.764 1.231 1 1 643 . 7 1 1 A 74 74 GLN HA H 74 3.790 4.931 -1.141 1 1 647 . 7 1 1 A 74 74 GLN C C 74 174.686 175.407 -0.721 1 1 648 . 7 1 1 A 74 74 GLN CA C 74 57.416 54.242 3.174 1 1 649 . 7 1 1 A 74 74 GLN CB C 74 25.352 33.742 -8.390 1 1 651 . 7 1 1 A 74 74 GLN N N 74 114.768 116.291 -1.523 1 1 653 . 7 1 1 A 75 75 THR H H 75 7.504 8.729 -1.225 1 1 654 . 7 1 1 A 75 75 THR HA H 75 3.172 4.483 -1.311 1 1 659 . 7 1 1 A 75 75 THR C C 75 173.589 173.630 -0.041 1 1 660 . 7 1 1 A 75 75 THR CA C 75 67.162 60.614 6.548 1 1 661 . 7 1 1 A 75 75 THR CB C 75 61.122 70.627 -9.505 1 1 663 . 7 1 1 A 75 75 THR N N 75 116.725 112.771 3.954 1 1 664 . 7 1 1 A 76 76 ASP H H 76 8.865 8.937 -0.072 1 1 665 . 7 1 1 A 76 76 ASP HA H 76 4.873 4.662 0.211 1 1 668 . 7 1 1 A 76 76 ASP C C 76 177.600 174.822 2.778 1 1 669 . 7 1 1 A 76 76 ASP CA C 76 56.105 55.352 0.753 1 1 670 . 7 1 1 A 76 76 ASP CB C 76 44.016 43.445 0.571 1 1 671 . 7 1 1 A 76 76 ASP N N 76 124.192 121.735 2.457 1 1 672 . 7 1 1 A 77 77 VAL H H 77 7.578 7.308 0.270 1 1 673 . 7 1 1 A 77 77 VAL HA H 77 4.706 4.330 0.376 1 1 681 . 7 1 1 A 77 77 VAL C C 77 171.266 172.452 -1.186 1 1 682 . 7 1 1 A 77 77 VAL CA C 77 60.346 60.026 0.320 1 1 683 . 7 1 1 A 77 77 VAL CB C 77 32.362 34.656 -2.294 1 1 685 . 7 1 1 A 77 77 VAL N N 77 116.060 116.535 -0.475 1 1 686 . 7 1 1 A 78 78 PHE H H 78 8.287 8.787 -0.500 1 1 687 . 7 1 1 A 78 78 PHE HA H 78 5.646 5.289 0.357 1 1 690 . 7 1 1 A 78 78 PHE C C 78 175.799 174.678 1.121 1 1 691 . 7 1 1 A 78 78 PHE CA C 78 56.686 55.695 0.991 1 1 692 . 7 1 1 A 78 78 PHE CB C 78 43.413 41.091 2.322 1 1 693 . 7 1 1 A 78 78 PHE N N 78 121.935 126.074 -4.139 1 1 694 . 7 1 1 A 79 79 LEU H H 79 8.937 9.576 -0.639 1 1 695 . 7 1 1 A 79 79 LEU HA H 79 4.691 5.273 -0.582 1 1 701 . 7 1 1 A 79 79 LEU C C 79 174.059 176.066 -2.007 1 1 702 . 7 1 1 A 79 79 LEU CA C 79 53.575 53.439 0.136 1 1 703 . 7 1 1 A 79 79 LEU CB C 79 41.184 44.551 -3.367 1 1 706 . 7 1 1 A 79 79 LEU N N 79 119.060 123.325 -4.265 1 1 707 . 7 1 1 A 80 80 VAL H H 80 8.828 8.370 0.458 1 1 708 . 7 1 1 A 80 80 VAL HA H 80 4.138 4.979 -0.841 1 1 716 . 7 1 1 A 80 80 VAL C C 80 174.535 174.561 -0.026 1 1 717 . 7 1 1 A 80 80 VAL CA C 80 61.395 60.857 0.538 1 1 718 . 7 1 1 A 80 80 VAL CB C 80 30.602 34.766 -4.164 1 1 721 . 7 1 1 A 80 80 VAL N N 80 124.677 122.268 2.409 1 1 722 . 7 1 1 A 81 81 CYS H H 81 8.795 9.075 -0.280 1 1 723 . 7 1 1 A 81 81 CYS HA H 81 5.758 5.201 0.557 1 1 726 . 7 1 1 A 81 81 CYS C C 81 173.980 173.624 0.356 1 1 727 . 7 1 1 A 81 81 CYS CA C 81 57.821 56.973 0.848 1 1 728 . 7 1 1 A 81 81 CYS CB C 81 30.043 30.464 -0.421 1 1 729 . 7 1 1 A 81 81 CYS N N 81 123.745 127.064 -3.319 1 1 730 . 7 1 1 A 82 82 PHE H H 82 8.873 8.513 0.360 1 1 731 . 7 1 1 A 82 82 PHE HA H 82 4.532 5.436 -0.904 1 1 735 . 7 1 1 A 82 82 PHE C C 82 171.090 171.942 -0.852 1 1 736 . 7 1 1 A 82 82 PHE CA C 82 56.367 55.575 0.792 1 1 737 . 7 1 1 A 82 82 PHE CB C 82 40.091 41.986 -1.895 1 1 738 . 7 1 1 A 82 82 PHE N N 82 117.718 122.155 -4.437 1 1 739 . 7 1 1 A 83 83 SER H H 83 8.038 8.869 -0.831 1 1 740 . 7 1 1 A 83 83 SER HA H 83 5.204 4.755 0.449 1 1 743 . 7 1 1 A 83 83 SER C C 83 178.547 175.357 3.190 1 1 744 . 7 1 1 A 83 83 SER CA C 83 55.000 56.426 -1.426 1 1 745 . 7 1 1 A 83 83 SER CB C 83 63.051 64.687 -1.636 1 1 746 . 7 1 1 A 83 83 SER N N 83 113.246 116.667 -3.421 1 1 747 . 7 1 1 A 84 84 VAL H H 84 8.609 8.829 -0.220 1 1 748 . 7 1 1 A 84 84 VAL HA H 84 4.261 4.482 -0.221 1 1 756 . 7 1 1 A 84 84 VAL C C 84 175.783 176.237 -0.454 1 1 757 . 7 1 1 A 84 84 VAL CA C 84 63.745 63.964 -0.219 1 1 758 . 7 1 1 A 84 84 VAL CB C 84 29.811 32.011 -2.200 1 1 760 . 7 1 1 A 84 84 VAL N N 84 120.609 126.730 -6.121 1 1 761 . 7 1 1 A 85 85 VAL H H 85 7.653 6.860 0.793 1 1 762 . 7 1 1 A 85 85 VAL HA H 85 4.508 4.548 -0.040 1 1 767 . 7 1 1 A 85 85 VAL C C 85 173.401 174.986 -1.585 1 1 768 . 7 1 1 A 85 85 VAL CA C 85 59.998 61.296 -1.298 1 1 769 . 7 1 1 A 85 85 VAL CB C 85 29.718 32.114 -2.396 1 1 772 . 7 1 1 A 85 85 VAL N N 85 107.920 114.526 -6.606 1 1 773 . 7 1 1 A 86 86 SER H H 86 7.792 7.936 -0.144 1 1 774 . 7 1 1 A 86 86 SER HA H 86 5.200 4.782 0.418 1 1 777 . 7 1 1 A 86 86 SER CA C 86 53.848 54.644 -0.796 1 1 778 . 7 1 1 A 86 86 SER CB C 86 62.720 64.737 -2.017 1 1 779 . 7 1 1 A 86 86 SER N N 86 112.608 118.833 -6.225 1 1 780 . 7 1 1 A 87 87 PRO C C 87 178.275 178.163 0.112 1 1 781 . 7 1 1 A 87 87 PRO CA C 87 65.655 65.374 0.281 1 1 782 . 7 1 1 A 87 87 PRO CB C 87 31.961 31.758 0.203 1 1 783 . 7 1 1 A 88 88 SER H H 88 8.928 8.287 0.641 1 1 784 . 7 1 1 A 88 88 SER HA H 88 4.783 4.226 0.557 1 1 787 . 7 1 1 A 88 88 SER C C 88 176.192 177.111 -0.919 1 1 788 . 7 1 1 A 88 88 SER CA C 88 61.630 61.262 0.368 1 1 789 . 7 1 1 A 88 88 SER CB C 88 71.811 63.076 8.735 1 1 790 . 7 1 1 A 88 88 SER N N 88 113.475 112.914 0.561 1 1 791 . 7 1 1 A 89 89 SER H H 89 8.022 8.192 -0.170 1 1 792 . 7 1 1 A 89 89 SER HA H 89 5.047 4.465 0.582 1 1 795 . 7 1 1 A 89 89 SER C C 89 176.417 176.782 -0.365 1 1 796 . 7 1 1 A 89 89 SER CA C 89 61.352 60.580 0.772 1 1 797 . 7 1 1 A 89 89 SER CB C 89 63.930 63.056 0.874 1 1 798 . 7 1 1 A 89 89 SER N N 89 120.789 116.786 4.003 1 1 799 . 7 1 1 A 90 90 PHE H H 90 7.454 8.463 -1.009 1 1 800 . 7 1 1 A 90 90 PHE HA H 90 3.967 4.072 -0.105 1 1 804 . 7 1 1 A 90 90 PHE C C 90 177.387 178.091 -0.704 1 1 805 . 7 1 1 A 90 90 PHE CA C 90 59.945 60.940 -0.995 1 1 806 . 7 1 1 A 90 90 PHE CB C 90 39.365 39.304 0.061 1 1 807 . 7 1 1 A 90 90 PHE N N 90 124.950 124.000 0.950 1 1 808 . 7 1 1 A 91 91 GLU H H 91 8.245 8.155 0.090 1 1 809 . 7 1 1 A 91 91 GLU HA H 91 3.921 4.127 -0.206 1 1 811 . 7 1 1 A 91 91 GLU C C 91 179.695 179.331 0.364 1 1 812 . 7 1 1 A 91 91 GLU CA C 91 59.102 59.245 -0.143 1 1 813 . 7 1 1 A 91 91 GLU CB C 91 28.437 28.892 -0.455 1 1 815 . 7 1 1 A 91 91 GLU N N 91 119.953 118.419 1.534 1 1 816 . 7 1 1 A 92 92 ASN H H 92 8.106 8.178 -0.072 1 1 817 . 7 1 1 A 92 92 ASN HA H 92 4.760 4.398 0.362 1 1 821 . 7 1 1 A 92 92 ASN C C 92 178.593 177.982 0.611 1 1 822 . 7 1 1 A 92 92 ASN CA C 92 54.635 56.536 -1.901 1 1 823 . 7 1 1 A 92 92 ASN CB C 92 37.879 39.728 -1.849 1 1 824 . 7 1 1 A 92 92 ASN N N 92 114.315 118.276 -3.961 1 1 826 . 7 1 1 A 93 93 VAL H H 93 7.883 7.500 0.383 1 1 827 . 7 1 1 A 93 93 VAL HA H 93 3.738 3.663 0.075 1 1 835 . 7 1 1 A 93 93 VAL C C 93 174.932 178.278 -3.346 1 1 836 . 7 1 1 A 93 93 VAL CA C 93 68.395 66.976 1.419 1 1 837 . 7 1 1 A 93 93 VAL CB C 93 30.596 31.375 -0.779 1 1 839 . 7 1 1 A 93 93 VAL N N 93 124.067 119.658 4.409 1 1 840 . 7 1 1 A 94 94 LYS H H 94 6.590 7.691 -1.101 1 1 841 . 7 1 1 A 94 94 LYS HA H 94 3.902 3.876 0.026 1 1 846 . 7 1 1 A 94 94 LYS C C 94 176.885 178.138 -1.253 1 1 847 . 7 1 1 A 94 94 LYS CA C 94 58.135 58.858 -0.723 1 1 848 . 7 1 1 A 94 94 LYS CB C 94 33.163 31.719 1.444 1 1 851 . 7 1 1 A 94 94 LYS N N 94 115.269 119.525 -4.256 1 1 852 . 7 1 1 A 95 95 GLU H H 95 7.719 7.795 -0.076 1 1 853 . 7 1 1 A 95 95 GLU HA H 95 4.089 4.193 -0.104 1 1 857 . 7 1 1 A 95 95 GLU C C 95 176.252 177.908 -1.656 1 1 858 . 7 1 1 A 95 95 GLU CA C 95 57.564 57.234 0.330 1 1 859 . 7 1 1 A 95 95 GLU CB C 95 30.353 30.063 0.290 1 1 861 . 7 1 1 A 95 95 GLU N N 95 112.466 116.346 -3.880 1 1 862 . 7 1 1 A 96 96 LYS H H 96 8.063 7.672 0.391 1 1 863 . 7 1 1 A 96 96 LYS HA H 96 4.250 4.194 0.056 1 1 867 . 7 1 1 A 96 96 LYS C C 96 177.781 177.862 -0.081 1 1 868 . 7 1 1 A 96 96 LYS CA C 96 57.343 57.488 -0.145 1 1 869 . 7 1 1 A 96 96 LYS CB C 96 35.190 33.738 1.452 1 1 873 . 7 1 1 A 96 96 LYS N N 96 115.613 118.910 -3.297 1 1 874 . 7 1 1 A 97 97 TRP H H 97 7.786 7.434 0.352 1 1 875 . 7 1 1 A 97 97 TRP HA H 97 4.390 4.473 -0.083 1 1 879 . 7 1 1 A 97 97 TRP C C 97 178.500 177.573 0.927 1 1 880 . 7 1 1 A 97 97 TRP CA C 97 60.831 57.585 3.246 1 1 881 . 7 1 1 A 97 97 TRP CB C 97 30.818 29.987 0.831 1 1 882 . 7 1 1 A 97 97 TRP N N 97 119.643 118.629 1.014 1 1 884 . 7 1 1 A 98 98 VAL H H 98 8.604 7.677 0.927 1 1 885 . 7 1 1 A 98 98 VAL HA H 98 3.542 3.741 -0.199 1 1 890 . 7 1 1 A 98 98 VAL CA C 98 68.434 66.573 1.861 1 1 891 . 7 1 1 A 98 98 VAL CB C 98 28.357 31.305 -2.948 1 1 892 . 7 1 1 A 98 98 VAL N N 98 116.894 120.333 -3.439 1 1 893 . 7 1 1 A 99 99 PRO HA H 99 3.932 4.560 -0.628 1 1 895 . 7 1 1 A 99 99 PRO C C 99 177.438 177.848 -0.410 1 1 896 . 7 1 1 A 99 99 PRO CA C 99 66.615 65.137 1.478 1 1 897 . 7 1 1 A 99 99 PRO CB C 99 30.600 31.024 -0.424 1 1 899 . 7 1 1 A 100 100 GLU H H 100 7.538 8.235 -0.697 1 1 900 . 7 1 1 A 100 100 GLU HA H 100 4.219 4.225 -0.006 1 1 902 . 7 1 1 A 100 100 GLU C C 100 178.891 178.893 -0.002 1 1 903 . 7 1 1 A 100 100 GLU CA C 100 60.795 59.640 1.155 1 1 904 . 7 1 1 A 100 100 GLU CB C 100 29.919 29.209 0.710 1 1 906 . 7 1 1 A 100 100 GLU N N 100 116.622 118.570 -1.948 1 1 907 . 7 1 1 A 101 101 ILE H H 101 8.331 7.848 0.483 1 1 908 . 7 1 1 A 101 101 ILE HA H 101 3.598 4.083 -0.485 1 1 909 . 7 1 1 A 101 101 ILE C C 101 177.812 177.916 -0.104 1 1 910 . 7 1 1 A 101 101 ILE CA C 101 66.106 63.171 2.935 1 1 911 . 7 1 1 A 101 101 ILE CB C 101 35.806 37.367 -1.561 1 1 913 . 7 1 1 A 101 101 ILE N N 101 113.806 119.799 -5.993 1 1 914 . 7 1 1 A 102 102 THR H H 102 7.881 7.950 -0.069 1 1 915 . 7 1 1 A 102 102 THR HA H 102 3.849 3.853 -0.004 1 1 917 . 7 1 1 A 102 102 THR C C 102 175.953 176.842 -0.889 1 1 918 . 7 1 1 A 102 102 THR CA C 102 64.979 66.522 -1.543 1 1 919 . 7 1 1 A 102 102 THR CB C 102 69.609 68.468 1.141 1 1 920 . 7 1 1 A 102 102 THR N N 102 112.542 116.965 -4.423 1 1 921 . 7 1 1 A 103 103 HIS H H 103 7.598 7.563 0.035 1 1 922 . 7 1 1 A 103 103 HIS HA H 103 4.217 4.235 -0.018 1 1 924 . 7 1 1 A 103 103 HIS C C 103 176.414 176.257 0.157 1 1 925 . 7 1 1 A 103 103 HIS CA C 103 58.531 58.870 -0.339 1 1 926 . 7 1 1 A 103 103 HIS CB C 103 28.397 29.737 -1.340 1 1 927 . 7 1 1 A 103 103 HIS N N 103 118.843 119.209 -0.366 1 1 928 . 7 1 1 A 104 104 HIS H H 104 7.405 7.758 -0.353 1 1 929 . 7 1 1 A 104 104 HIS HA H 104 4.164 4.642 -0.478 1 1 932 . 7 1 1 A 104 104 HIS C C 104 176.660 175.016 1.644 1 1 933 . 7 1 1 A 104 104 HIS CA C 104 59.641 55.336 4.305 1 1 934 . 7 1 1 A 104 104 HIS CB C 104 33.363 29.787 3.576 1 1 935 . 7 1 1 A 104 104 HIS N N 104 113.791 113.033 0.758 1 1 936 . 7 1 1 A 105 105 CYS H H 105 8.530 7.583 0.947 1 1 937 . 7 1 1 A 105 105 CYS HA H 105 5.015 4.647 0.368 1 1 940 . 7 1 1 A 105 105 CYS CA C 105 56.219 57.867 -1.648 1 1 941 . 7 1 1 A 105 105 CYS N N 105 117.178 119.270 -2.092 1 1 942 . 7 1 1 A 106 106 PRO HA H 106 4.477 4.359 0.118 1 1 945 . 7 1 1 A 106 106 PRO C C 106 177.961 178.596 -0.635 1 1 946 . 7 1 1 A 106 106 PRO CA C 106 64.735 65.443 -0.708 1 1 947 . 7 1 1 A 106 106 PRO CB C 106 31.961 31.545 0.416 1 1 949 . 7 1 1 A 107 107 LYS H H 107 8.769 8.214 0.555 1 1 950 . 7 1 1 A 107 107 LYS HA H 107 4.771 4.277 0.494 1 1 955 . 7 1 1 A 107 107 LYS CA C 107 55.895 57.856 -1.961 1 1 956 . 7 1 1 A 107 107 LYS CB C 107 31.160 32.658 -1.498 1 1 957 . 7 1 1 A 107 107 LYS N N 107 116.131 118.170 -2.039 1 1 958 . 7 1 1 A 108 108 THR H H 108 7.586 7.373 0.213 1 1 959 . 7 1 1 A 108 108 THR N N 108 121.415 109.066 12.349 1 1 960 . 7 1 1 A 109 109 PRO HA H 109 4.529 4.552 -0.023 1 1 963 . 7 1 1 A 109 109 PRO C C 109 174.846 175.531 -0.685 1 1 964 . 7 1 1 A 109 109 PRO CA C 109 62.495 62.667 -0.172 1 1 965 . 7 1 1 A 109 109 PRO CB C 109 33.563 29.834 3.729 1 1 968 . 7 1 1 A 110 110 PHE H H 110 8.165 7.504 0.661 1 1 969 . 7 1 1 A 110 110 PHE HA H 110 5.929 5.098 0.831 1 1 971 . 7 1 1 A 110 110 PHE C C 110 172.666 174.375 -1.709 1 1 972 . 7 1 1 A 110 110 PHE CA C 110 54.448 56.628 -2.180 1 1 973 . 7 1 1 A 110 110 PHE CB C 110 43.554 41.271 2.283 1 1 974 . 7 1 1 A 110 110 PHE N N 110 112.128 122.005 -9.877 1 1 975 . 7 1 1 A 111 111 LEU H H 111 8.633 8.539 0.094 1 1 976 . 7 1 1 A 111 111 LEU HA H 111 4.694 5.134 -0.440 1 1 979 . 7 1 1 A 111 111 LEU C C 111 175.472 174.778 0.694 1 1 980 . 7 1 1 A 111 111 LEU CA C 111 54.212 53.817 0.395 1 1 981 . 7 1 1 A 111 111 LEU CB C 111 43.831 45.601 -1.770 1 1 984 . 7 1 1 A 111 111 LEU N N 111 119.654 124.286 -4.632 1 1 985 . 7 1 1 A 112 112 LEU H H 112 8.061 8.933 -0.872 1 1 986 . 7 1 1 A 112 112 LEU HA H 112 5.363 5.264 0.099 1 1 992 . 7 1 1 A 112 112 LEU C C 112 173.631 176.140 -2.509 1 1 993 . 7 1 1 A 112 112 LEU CA C 112 53.826 53.314 0.512 1 1 994 . 7 1 1 A 112 112 LEU CB C 112 44.182 43.019 1.163 1 1 996 . 7 1 1 A 112 112 LEU N N 112 121.946 128.464 -6.518 1 1 997 . 7 1 1 A 113 113 VAL H H 113 9.178 9.018 0.160 1 1 998 . 7 1 1 A 113 113 VAL HA H 113 4.878 4.824 0.054 1 1 1006 . 7 1 1 A 113 113 VAL C C 113 174.300 175.270 -0.970 1 1 1007 . 7 1 1 A 113 113 VAL CA C 113 59.695 60.727 -1.032 1 1 1008 . 7 1 1 A 113 113 VAL CB C 113 33.323 34.502 -1.179 1 1 1011 . 7 1 1 A 113 113 VAL N N 113 125.807 126.216 -0.409 1 1 1012 . 7 1 1 A 114 114 GLY H H 114 8.731 9.261 -0.530 1 1 1013 . 7 1 1 A 114 114 GLY HA2 H 114 3.688 3.656 0.032 1 1 1014 . 7 1 1 A 114 114 GLY HA3 H 114 3.270 4.221 -0.951 1 1 1015 . 7 1 1 A 114 114 GLY C C 114 173.360 171.881 1.479 1 1 1016 . 7 1 1 A 114 114 GLY CA C 114 44.195 44.444 -0.249 1 1 1017 . 7 1 1 A 114 114 GLY N N 114 115.079 115.585 -0.506 1 1 1018 . 7 1 1 A 115 115 THR H H 115 9.181 8.298 0.883 1 1 1019 . 7 1 1 A 115 115 THR HA H 115 4.969 5.235 -0.266 1 1 1024 . 7 1 1 A 115 115 THR C C 115 175.355 173.716 1.639 1 1 1025 . 7 1 1 A 115 115 THR CA C 115 59.375 59.396 -0.021 1 1 1026 . 7 1 1 A 115 115 THR CB C 115 70.530 71.646 -1.116 1 1 1028 . 7 1 1 A 115 115 THR N N 115 115.613 117.537 -1.924 1 1 1029 . 7 1 1 A 116 116 GLN H H 116 9.380 8.806 0.574 1 1 1030 . 7 1 1 A 116 116 GLN HA H 116 3.983 4.006 -0.023 1 1 1033 . 7 1 1 A 116 116 GLN C C 116 179.110 175.296 3.814 1 1 1034 . 7 1 1 A 116 116 GLN CA C 116 56.195 57.126 -0.931 1 1 1035 . 7 1 1 A 116 116 GLN CB C 116 23.911 28.216 -4.305 1 1 1037 . 7 1 1 A 116 116 GLN N N 116 108.468 125.484 -17.016 1 1 1038 . 7 1 1 A 117 117 ILE H H 117 7.635 7.680 -0.045 1 1 1039 . 7 1 1 A 117 117 ILE HA H 117 3.814 4.213 -0.399 1 1 1042 . 7 1 1 A 117 117 ILE C C 117 178.002 175.322 2.680 1 1 1043 . 7 1 1 A 117 117 ILE CA C 117 64.828 60.131 4.697 1 1 1044 . 7 1 1 A 117 117 ILE CB C 117 36.327 38.736 -2.409 1 1 1047 . 7 1 1 A 118 118 ASP H H 118 8.732 8.922 -0.190 1 1 1048 . 7 1 1 A 118 118 ASP HA H 118 4.468 4.157 0.311 1 1 1051 . 7 1 1 A 118 118 ASP C C 118 176.888 176.566 0.322 1 1 1052 . 7 1 1 A 118 118 ASP CA C 118 55.527 56.816 -1.289 1 1 1053 . 7 1 1 A 118 118 ASP CB C 118 40.482 38.827 1.655 1 1 1054 . 7 1 1 A 118 118 ASP N N 118 119.049 120.339 -1.290 1 1 1055 . 7 1 1 A 119 119 LEU H H 119 7.914 10.058 -2.144 1 1 1056 . 7 1 1 A 119 119 LEU HA H 119 4.332 4.118 0.214 1 1 1066 . 7 1 1 A 119 119 LEU C C 119 178.015 178.659 -0.644 1 1 1067 . 7 1 1 A 119 119 LEU CA C 119 55.388 57.507 -2.119 1 1 1068 . 7 1 1 A 119 119 LEU CB C 119 41.573 42.018 -0.445 1 1 1071 . 7 1 1 A 119 119 LEU N N 119 117.783 121.205 -3.422 1 1 1072 . 7 1 1 A 120 120 ARG H H 120 7.256 7.791 -0.535 1 1 1073 . 7 1 1 A 120 120 ARG HA H 120 3.561 4.100 -0.539 1 1 1076 . 7 1 1 A 120 120 ARG C C 120 174.671 176.129 -1.458 1 1 1077 . 7 1 1 A 120 120 ARG CA C 120 60.041 58.971 1.070 1 1 1078 . 7 1 1 A 120 120 ARG CB C 120 30.079 30.083 -0.004 1 1 1081 . 7 1 1 A 120 120 ARG N N 120 116.747 119.091 -2.344 1 1 1082 . 7 1 1 A 121 121 ASP H H 121 7.078 8.461 -1.383 1 1 1083 . 7 1 1 A 121 121 ASP HA H 121 4.802 4.858 -0.056 1 1 1086 . 7 1 1 A 121 121 ASP C C 121 175.364 174.432 0.932 1 1 1087 . 7 1 1 A 121 121 ASP CA C 121 52.775 52.654 0.121 1 1 1088 . 7 1 1 A 121 121 ASP CB C 121 41.372 40.910 0.462 1 1 1089 . 7 1 1 A 121 121 ASP N N 121 111.544 119.275 -7.731 1 1 1090 . 7 1 1 A 122 122 ASP H H 122 7.246 7.962 -0.716 1 1 1091 . 7 1 1 A 122 122 ASP HA H 122 4.983 5.151 -0.168 1 1 1094 . 7 1 1 A 122 122 ASP CA C 122 51.575 50.979 0.596 1 1 1095 . 7 1 1 A 122 122 ASP CB C 122 43.576 42.101 1.475 1 1 1096 . 7 1 1 A 122 122 ASP N N 122 122.169 124.223 -2.054 1 1 1097 . 7 1 1 A 123 123 PRO HA H 123 4.132 4.344 -0.212 1 1 1100 . 7 1 1 A 123 123 PRO C C 123 178.982 178.173 0.809 1 1 1101 . 7 1 1 A 123 123 PRO CA C 123 65.824 65.481 0.343 1 1 1102 . 7 1 1 A 123 123 PRO CB C 123 32.041 31.709 0.332 1 1 1104 . 7 1 1 A 124 124 SER H H 124 8.333 8.289 0.044 1 1 1105 . 7 1 1 A 124 124 SER HA H 124 4.762 4.184 0.578 1 1 1108 . 7 1 1 A 124 124 SER C C 124 176.716 176.729 -0.013 1 1 1109 . 7 1 1 A 124 124 SER CA C 124 62.073 61.212 0.861 1 1 1110 . 7 1 1 A 124 124 SER CB C 124 62.373 62.264 0.109 1 1 1111 . 7 1 1 A 124 124 SER N N 124 112.482 112.585 -0.103 1 1 1112 . 7 1 1 A 125 125 THR H H 125 7.921 8.052 -0.131 1 1 1113 . 7 1 1 A 125 125 THR HA H 125 4.658 4.040 0.618 1 1 1118 . 7 1 1 A 125 125 THR C C 125 175.789 176.907 -1.118 1 1 1119 . 7 1 1 A 125 125 THR CA C 125 67.686 65.614 2.072 1 1 1121 . 7 1 1 A 125 125 THR N N 125 121.820 113.960 7.860 1 1 1122 . 7 1 1 A 126 126 ILE H H 126 8.234 8.144 0.090 1 1 1123 . 7 1 1 A 126 126 ILE HA H 126 3.550 3.677 -0.127 1 1 1126 . 7 1 1 A 126 126 ILE C C 126 179.057 178.311 0.746 1 1 1127 . 7 1 1 A 126 126 ILE CA C 126 65.032 65.435 -0.403 1 1 1128 . 7 1 1 A 126 126 ILE CB C 126 37.064 37.576 -0.512 1 1 1132 . 7 1 1 A 126 126 ILE N N 126 121.486 124.203 -2.717 1 1 1133 . 7 1 1 A 127 127 GLU H H 127 8.240 8.277 -0.037 1 1 1134 . 7 1 1 A 127 127 GLU HA H 127 4.165 3.962 0.203 1 1 1136 . 7 1 1 A 127 127 GLU C C 127 177.025 179.496 -2.471 1 1 1137 . 7 1 1 A 127 127 GLU CA C 127 59.326 59.688 -0.362 1 1 1138 . 7 1 1 A 127 127 GLU CB C 127 29.330 29.201 0.129 1 1 1140 . 7 1 1 A 127 127 GLU N N 127 120.249 119.401 0.848 1 1 1141 . 7 1 1 A 128 128 LYS H H 128 7.919 7.568 0.351 1 1 1142 . 7 1 1 A 128 128 LYS HA H 128 3.978 4.124 -0.146 1 1 1146 . 7 1 1 A 128 128 LYS C C 128 179.838 179.139 0.699 1 1 1147 . 7 1 1 A 128 128 LYS CA C 128 59.938 59.148 0.790 1 1 1148 . 7 1 1 A 128 128 LYS CB C 128 31.691 32.062 -0.371 1 1 1152 . 7 1 1 A 128 128 LYS N N 128 120.679 121.388 -0.709 1 1 1153 . 7 1 1 A 129 129 LEU H H 129 8.142 8.216 -0.074 1 1 1154 . 7 1 1 A 129 129 LEU HA H 129 4.128 4.173 -0.045 1 1 1160 . 7 1 1 A 129 129 LEU C C 129 179.701 179.014 0.687 1 1 1161 . 7 1 1 A 129 129 LEU CA C 129 57.904 57.385 0.519 1 1 1162 . 7 1 1 A 129 129 LEU CB C 129 41.674 41.506 0.168 1 1 1165 . 7 1 1 A 129 129 LEU N N 129 118.553 119.664 -1.111 1 1 1166 . 7 1 1 A 130 130 ALA H H 130 8.493 8.629 -0.136 1 1 1167 . 7 1 1 A 130 130 ALA HA H 130 4.286 3.944 0.342 1 1 1171 . 7 1 1 A 130 130 ALA C C 130 182.027 179.381 2.646 1 1 1172 . 7 1 1 A 130 130 ALA CA C 130 55.358 55.538 -0.180 1 1 1173 . 7 1 1 A 130 130 ALA CB C 130 17.069 18.379 -1.310 1 1 1174 . 7 1 1 A 130 130 ALA N N 130 122.578 121.870 0.708 1 1 1175 . 7 1 1 A 131 131 LYS H H 131 8.065 7.608 0.457 1 1 1176 . 7 1 1 A 131 131 LYS HA H 131 4.124 3.965 0.159 1 1 1180 . 7 1 1 A 131 131 LYS C C 131 177.085 178.290 -1.205 1 1 1181 . 7 1 1 A 131 131 LYS CA C 131 59.093 59.485 -0.392 1 1 1182 . 7 1 1 A 131 131 LYS CB C 131 31.782 32.143 -0.361 1 1 1186 . 7 1 1 A 131 131 LYS N N 131 120.347 118.650 1.697 1 1 1187 . 7 1 1 A 132 132 ASN H H 132 7.414 7.789 -0.375 1 1 1188 . 7 1 1 A 132 132 ASN HA H 132 4.983 4.834 0.149 1 1 1193 . 7 1 1 A 132 132 ASN C C 132 173.584 174.834 -1.250 1 1 1194 . 7 1 1 A 132 132 ASN CA C 132 52.195 52.529 -0.334 1 1 1195 . 7 1 1 A 132 132 ASN CB C 132 39.210 38.654 0.556 1 1 1196 . 7 1 1 A 132 132 ASN N N 132 115.667 116.493 -0.826 1 1 1198 . 7 1 1 A 133 133 LYS H H 133 8.105 8.073 0.032 1 1 1199 . 7 1 1 A 133 133 LYS HA H 133 3.956 3.731 0.225 1 1 1204 . 7 1 1 A 133 133 LYS C C 133 175.311 174.720 0.591 1 1 1205 . 7 1 1 A 133 133 LYS CA C 133 57.317 57.454 -0.137 1 1 1206 . 7 1 1 A 133 133 LYS CB C 133 28.397 29.130 -0.733 1 1 1210 . 7 1 1 A 133 133 LYS N N 133 113.900 116.008 -2.108 1 1 1211 . 7 1 1 A 134 134 GLN H H 134 8.107 7.192 0.915 1 1 1212 . 7 1 1 A 134 134 GLN HA H 134 4.777 4.906 -0.129 1 1 1218 . 7 1 1 A 134 134 GLN C C 134 174.870 174.330 0.540 1 1 1219 . 7 1 1 A 134 134 GLN CA C 134 53.890 54.501 -0.611 1 1 1220 . 7 1 1 A 134 134 GLN CB C 134 33.095 32.225 0.870 1 1 1222 . 7 1 1 A 134 134 GLN N N 134 116.006 116.194 -0.188 1 1 1224 . 7 1 1 A 135 135 LYS H H 135 7.974 8.805 -0.831 1 1 1225 . 7 1 1 A 135 135 LYS CA C 135 54.077 53.241 0.836 1 1 1226 . 7 1 1 A 135 135 LYS CB C 135 33.433 35.035 -1.602 1 1 1227 . 7 1 1 A 135 135 LYS N N 135 118.646 120.450 -1.804 1 1 1228 . 7 1 1 A 136 136 PRO HA H 136 4.378 4.447 -0.069 1 1 1232 . 7 1 1 A 136 136 PRO C C 136 174.976 176.986 -2.010 1 1 1233 . 7 1 1 A 136 136 PRO CA C 136 62.255 63.169 -0.914 1 1 1234 . 7 1 1 A 136 136 PRO CB C 136 32.147 32.031 0.116 1 1 1237 . 7 1 1 A 137 137 ILE H H 137 9.147 8.009 1.138 1 1 1238 . 7 1 1 A 137 137 ILE HA H 137 3.918 4.166 -0.248 1 1 1245 . 7 1 1 A 137 137 ILE C C 137 176.126 176.657 -0.531 1 1 1246 . 7 1 1 A 137 137 ILE CA C 137 59.969 61.028 -1.059 1 1 1247 . 7 1 1 A 137 137 ILE CB C 137 36.848 38.230 -1.382 1 1 1248 . 7 1 1 A 137 137 ILE N N 137 122.234 123.349 -1.115 1 1 1249 . 7 1 1 A 138 138 THR H H 138 7.993 8.750 -0.757 1 1 1250 . 7 1 1 A 138 138 THR HA H 138 4.765 4.900 -0.135 1 1 1255 . 7 1 1 A 138 138 THR CA C 138 59.171 59.815 -0.644 1 1 1256 . 7 1 1 A 138 138 THR CB C 138 68.488 69.110 -0.622 1 1 1257 . 7 1 1 A 138 138 THR N N 138 118.389 117.841 0.548 1 1 1258 . 7 1 1 A 139 139 PRO HA H 139 4.071 4.313 -0.242 1 1 1261 . 7 1 1 A 139 139 PRO C C 139 177.838 179.003 -1.165 1 1 1262 . 7 1 1 A 139 139 PRO CA C 139 65.575 65.540 0.035 1 1 1263 . 7 1 1 A 139 139 PRO CB C 139 31.401 31.865 -0.464 1 1 1265 . 7 1 1 A 140 140 GLU H H 140 8.569 8.433 0.136 1 1 1266 . 7 1 1 A 140 140 GLU HA H 140 3.000 4.049 -1.049 1 1 1270 . 7 1 1 A 140 140 GLU C C 140 179.357 179.439 -0.082 1 1 1271 . 7 1 1 A 140 140 GLU CA C 140 60.137 59.466 0.671 1 1 1272 . 7 1 1 A 140 140 GLU CB C 140 28.357 29.266 -0.909 1 1 1273 . 7 1 1 A 140 140 GLU N N 140 114.648 117.868 -3.220 1 1 1274 . 7 1 1 A 141 141 THR H H 141 7.579 7.656 -0.077 1 1 1275 . 7 1 1 A 141 141 THR HA H 141 3.811 3.897 -0.086 1 1 1280 . 7 1 1 A 141 141 THR C C 141 176.395 176.248 0.147 1 1 1281 . 7 1 1 A 141 141 THR CA C 141 66.113 66.523 -0.410 1 1 1282 . 7 1 1 A 141 141 THR CB C 141 68.569 68.485 0.084 1 1 1284 . 7 1 1 A 141 141 THR N N 141 118.215 117.596 0.619 1 1 1285 . 7 1 1 A 142 142 ALA H H 142 7.562 7.912 -0.350 1 1 1286 . 7 1 1 A 142 142 ALA HA H 142 3.866 4.307 -0.441 1 1 1290 . 7 1 1 A 142 142 ALA C C 142 178.302 179.656 -1.354 1 1 1291 . 7 1 1 A 142 142 ALA CA C 142 55.332 55.423 -0.091 1 1 1292 . 7 1 1 A 142 142 ALA CB C 142 16.606 18.388 -1.782 1 1 1293 . 7 1 1 A 142 142 ALA N N 142 125.491 123.667 1.824 1 1 1294 . 7 1 1 A 143 143 GLU H H 143 8.787 8.533 0.254 1 1 1295 . 7 1 1 A 143 143 GLU HA H 143 3.742 3.770 -0.028 1 1 1298 . 7 1 1 A 143 143 GLU C C 143 179.077 179.437 -0.360 1 1 1299 . 7 1 1 A 143 143 GLU CA C 143 59.590 59.344 0.246 1 1 1300 . 7 1 1 A 143 143 GLU CB C 143 28.998 28.825 0.173 1 1 1302 . 7 1 1 A 143 143 GLU N N 143 117.991 118.154 -0.163 1 1 1303 . 7 1 1 A 144 144 LYS H H 144 7.313 7.562 -0.249 1 1 1304 . 7 1 1 A 144 144 LYS HA H 144 3.950 4.118 -0.168 1 1 1307 . 7 1 1 A 144 144 LYS C C 144 177.781 178.762 -0.981 1 1 1308 . 7 1 1 A 144 144 LYS CA C 144 59.370 58.981 0.389 1 1 1309 . 7 1 1 A 144 144 LYS CB C 144 31.718 32.241 -0.523 1 1 1313 . 7 1 1 A 144 144 LYS N N 144 118.815 121.512 -2.697 1 1 1314 . 7 1 1 A 145 145 LEU H H 145 7.326 7.977 -0.651 1 1 1315 . 7 1 1 A 145 145 LEU HA H 145 4.153 3.970 0.183 1 1 1324 . 7 1 1 A 145 145 LEU C C 145 178.162 178.469 -0.307 1 1 1325 . 7 1 1 A 145 145 LEU CA C 145 57.834 57.788 0.046 1 1 1326 . 7 1 1 A 145 145 LEU CB C 145 40.432 41.092 -0.660 1 1 1329 . 7 1 1 A 145 145 LEU N N 145 119.589 121.084 -1.495 1 1 1330 . 7 1 1 A 146 146 ALA H H 146 8.482 7.734 0.748 1 1 1331 . 7 1 1 A 146 146 ALA HA H 146 3.705 4.028 -0.323 1 1 1335 . 7 1 1 A 146 146 ALA C C 146 178.574 179.432 -0.858 1 1 1336 . 7 1 1 A 146 146 ALA CA C 146 55.543 55.258 0.285 1 1 1337 . 7 1 1 A 146 146 ALA CB C 146 17.663 18.027 -0.364 1 1 1338 . 7 1 1 A 146 146 ALA N N 146 118.809 120.506 -1.697 1 1 1339 . 7 1 1 A 147 147 ARG H H 147 7.714 7.475 0.239 1 1 1340 . 7 1 1 A 147 147 ARG HA H 147 4.175 4.313 -0.138 1 1 1344 . 7 1 1 A 147 147 ARG C C 147 180.165 177.357 2.808 1 1 1345 . 7 1 1 A 147 147 ARG CA C 147 58.995 57.154 1.841 1 1 1346 . 7 1 1 A 147 147 ARG CB C 147 29.657 29.927 -0.270 1 1 1349 . 7 1 1 A 147 147 ARG N N 147 116.011 117.111 -1.100 1 1 1350 . 7 1 1 A 148 148 ASP H H 148 8.461 7.908 0.553 1 1 1351 . 7 1 1 A 148 148 ASP HA H 148 4.324 4.376 -0.052 1 1 1354 . 7 1 1 A 148 148 ASP C C 148 178.284 177.256 1.028 1 1 1355 . 7 1 1 A 148 148 ASP CA C 148 57.501 57.031 0.470 1 1 1356 . 7 1 1 A 148 148 ASP CB C 148 40.172 41.436 -1.264 1 1 1357 . 7 1 1 A 148 148 ASP N N 148 121.913 121.163 0.750 1 1 1358 . 7 1 1 A 149 149 LEU H H 149 8.364 7.837 0.527 1 1 1359 . 7 1 1 A 149 149 LEU HA H 149 4.365 4.406 -0.041 1 1 1368 . 7 1 1 A 149 149 LEU C C 149 174.985 177.659 -2.674 1 1 1369 . 7 1 1 A 149 149 LEU CA C 149 54.315 56.124 -1.809 1 1 1370 . 7 1 1 A 149 149 LEU CB C 149 41.373 43.294 -1.921 1 1 1373 . 7 1 1 A 149 149 LEU N N 149 115.324 117.536 -2.212 1 1 1374 . 7 1 1 A 150 150 LYS H H 150 7.624 7.670 -0.046 1 1 1375 . 7 1 1 A 150 150 LYS HA H 150 3.783 4.639 -0.856 1 1 1379 . 7 1 1 A 150 150 LYS C C 150 177.003 175.773 1.230 1 1 1380 . 7 1 1 A 150 150 LYS CA C 150 57.457 55.523 1.934 1 1 1381 . 7 1 1 A 150 150 LYS CB C 150 27.730 32.442 -4.712 1 1 1385 . 7 1 1 A 150 150 LYS N N 150 111.768 112.704 -0.936 1 1 1386 . 7 1 1 A 151 151 ALA H H 151 8.248 7.890 0.358 1 1 1387 . 7 1 1 A 151 151 ALA HA H 151 2.979 4.393 -1.414 1 1 1391 . 7 1 1 A 151 151 ALA C C 151 177.944 178.087 -0.143 1 1 1392 . 7 1 1 A 151 151 ALA CA C 151 51.231 52.401 -1.170 1 1 1393 . 7 1 1 A 151 151 ALA CB C 151 19.707 19.395 0.312 1 1 1394 . 7 1 1 A 151 151 ALA N N 151 119.649 122.062 -2.413 1 1 1395 . 7 1 1 A 152 152 VAL H H 152 8.684 9.077 -0.393 1 1 1396 . 7 1 1 A 152 152 VAL HA H 152 3.478 3.918 -0.440 1 1 1404 . 7 1 1 A 152 152 VAL C C 152 176.367 176.234 0.133 1 1 1405 . 7 1 1 A 152 152 VAL CA C 152 66.127 64.886 1.241 1 1 1406 . 7 1 1 A 152 152 VAL CB C 152 32.285 32.171 0.114 1 1 1409 . 7 1 1 A 152 152 VAL N N 152 120.805 122.502 -1.697 1 1 1410 . 7 1 1 A 153 153 LYS H H 153 6.865 7.703 -0.838 1 1 1411 . 7 1 1 A 153 153 LYS HA H 153 4.344 5.006 -0.662 1 1 1416 . 7 1 1 A 153 153 LYS C C 153 172.951 174.138 -1.187 1 1 1417 . 7 1 1 A 153 153 LYS CA C 153 55.049 54.993 0.056 1 1 1418 . 7 1 1 A 153 153 LYS CB C 153 34.332 37.429 -3.097 1 1 1422 . 7 1 1 A 153 153 LYS N N 153 108.179 118.734 -10.555 1 1 1423 . 7 1 1 A 154 154 TYR H H 154 8.606 8.769 -0.163 1 1 1424 . 7 1 1 A 154 154 TYR HA H 154 5.761 6.160 -0.399 1 1 1426 . 7 1 1 A 154 154 TYR C C 154 174.216 174.061 0.155 1 1 1427 . 7 1 1 A 154 154 TYR CA C 154 55.910 55.362 0.548 1 1 1428 . 7 1 1 A 154 154 TYR CB C 154 40.457 42.531 -2.074 1 1 1429 . 7 1 1 A 154 154 TYR N N 154 120.249 117.907 2.342 1 1 1430 . 7 1 1 A 155 155 VAL H H 155 8.271 8.453 -0.182 1 1 1431 . 7 1 1 A 155 155 VAL HA H 155 4.138 4.707 -0.569 1 1 1439 . 7 1 1 A 155 155 VAL C C 155 171.653 174.807 -3.154 1 1 1440 . 7 1 1 A 155 155 VAL CA C 155 58.344 60.156 -1.812 1 1 1441 . 7 1 1 A 155 155 VAL CB C 155 34.645 35.346 -0.701 1 1 1444 . 7 1 1 A 155 155 VAL N N 155 121.448 121.457 -0.009 1 1 1445 . 7 1 1 A 156 156 GLU H H 156 8.030 8.599 -0.569 1 1 1446 . 7 1 1 A 156 156 GLU HA H 156 5.393 5.211 0.182 1 1 1449 . 7 1 1 A 156 156 GLU C C 156 175.890 175.807 0.083 1 1 1450 . 7 1 1 A 156 156 GLU CA C 156 53.775 55.175 -1.400 1 1 1451 . 7 1 1 A 156 156 GLU CB C 156 31.521 31.464 0.057 1 1 1453 . 7 1 1 A 156 156 GLU N N 156 113.147 125.082 -11.935 1 1 1454 . 7 1 1 A 157 157 CYS H H 157 8.838 9.133 -0.295 1 1 1455 . 7 1 1 A 157 157 CYS HA H 157 5.324 5.231 0.093 1 1 1458 . 7 1 1 A 157 157 CYS C C 157 171.554 172.402 -0.848 1 1 1459 . 7 1 1 A 157 157 CYS CA C 157 55.749 56.900 -1.151 1 1 1460 . 7 1 1 A 157 157 CYS CB C 157 32.041 31.731 0.310 1 1 1461 . 7 1 1 A 157 157 CYS N N 157 111.910 120.867 -8.957 1 1 1462 . 7 1 1 A 158 158 SER H H 158 8.277 8.791 -0.514 1 1 1463 . 7 1 1 A 158 158 SER HA H 158 5.211 4.764 0.447 1 1 1466 . 7 1 1 A 158 158 SER C C 158 176.246 174.974 1.272 1 1 1467 . 7 1 1 A 158 158 SER CA C 158 55.892 56.359 -0.467 1 1 1468 . 7 1 1 A 158 158 SER CB C 158 65.035 64.463 0.572 1 1 1469 . 7 1 1 A 158 158 SER N N 158 110.284 117.490 -7.206 1 1 1470 . 7 1 1 A 159 159 ALA H H 159 9.297 8.774 0.523 1 1 1471 . 7 1 1 A 159 159 ALA HA H 159 4.210 3.791 0.419 1 1 1475 . 7 1 1 A 159 159 ALA C C 159 177.030 179.159 -2.129 1 1 1476 . 7 1 1 A 159 159 ALA CA C 159 54.522 54.624 -0.102 1 1 1477 . 7 1 1 A 159 159 ALA CB C 159 18.828 17.558 1.270 1 1 1478 . 7 1 1 A 159 159 ALA N N 159 132.318 130.250 2.068 1 1 1479 . 7 1 1 A 160 160 LEU H H 160 7.361 7.396 -0.035 1 1 1480 . 7 1 1 A 160 160 LEU HA H 160 3.307 3.886 -0.579 1 1 1485 . 7 1 1 A 160 160 LEU C C 160 177.619 176.761 0.858 1 1 1486 . 7 1 1 A 160 160 LEU CA C 160 57.497 56.983 0.514 1 1 1487 . 7 1 1 A 160 160 LEU CB C 160 43.255 41.978 1.277 1 1 1490 . 7 1 1 A 160 160 LEU N N 160 118.308 117.451 0.857 1 1 1491 . 7 1 1 A 161 161 THR H H 161 8.109 7.483 0.626 1 1 1492 . 7 1 1 A 161 161 THR HA H 161 4.218 4.693 -0.475 1 1 1497 . 7 1 1 A 161 161 THR C C 161 176.064 174.245 1.819 1 1 1498 . 7 1 1 A 161 161 THR CA C 161 61.435 59.153 2.282 1 1 1499 . 7 1 1 A 161 161 THR CB C 161 69.809 71.833 -2.024 1 1 1501 . 7 1 1 A 161 161 THR N N 161 106.273 109.698 -3.425 1 1 1502 . 7 1 1 A 162 162 GLN H H 162 7.457 8.514 -1.057 1 1 1503 . 7 1 1 A 162 162 GLN HA H 162 3.923 4.296 -0.373 1 1 1509 . 7 1 1 A 162 162 GLN C C 162 174.988 176.681 -1.693 1 1 1510 . 7 1 1 A 162 162 GLN CA C 162 59.015 57.298 1.717 1 1 1511 . 7 1 1 A 162 162 GLN CB C 162 25.425 28.345 -2.920 1 1 1513 . 7 1 1 A 162 162 GLN N N 162 112.744 118.696 -5.952 1 1 1515 . 7 1 1 A 163 163 LYS H H 163 7.831 7.567 0.264 1 1 1516 . 7 1 1 A 163 163 LYS HA H 163 4.163 4.283 -0.120 1 1 1519 . 7 1 1 A 163 163 LYS C C 163 177.322 178.909 -1.587 1 1 1520 . 7 1 1 A 163 163 LYS CA C 163 58.055 56.936 1.119 1 1 1521 . 7 1 1 A 163 163 LYS CB C 163 32.041 32.517 -0.476 1 1 1525 . 7 1 1 A 163 163 LYS N N 163 124.132 118.466 5.666 1 1 1526 . 7 1 1 A 164 164 GLY H H 164 9.133 8.007 1.126 1 1 1527 . 7 1 1 A 164 164 GLY HA2 H 164 4.293 3.680 0.613 1 1 1528 . 7 1 1 A 164 164 GLY HA3 H 164 3.860 3.709 0.151 1 1 1529 . 7 1 1 A 164 164 GLY C C 164 174.825 175.218 -0.393 1 1 1530 . 7 1 1 A 164 164 GLY CA C 164 46.375 46.943 -0.568 1 1 1531 . 7 1 1 A 164 164 GLY N N 164 114.473 108.979 5.494 1 1 1532 . 7 1 1 A 165 165 LEU H H 165 7.400 8.268 -0.868 1 1 1533 . 7 1 1 A 165 165 LEU HA H 165 3.792 4.139 -0.347 1 1 1538 . 7 1 1 A 165 165 LEU C C 165 176.722 179.384 -2.662 1 1 1539 . 7 1 1 A 165 165 LEU CA C 165 58.737 57.863 0.874 1 1 1540 . 7 1 1 A 165 165 LEU CB C 165 43.498 41.597 1.901 1 1 1543 . 7 1 1 A 165 165 LEU N N 165 121.187 121.974 -0.787 1 1 1544 . 7 1 1 A 166 166 LYS H H 166 8.580 8.101 0.479 1 1 1545 . 7 1 1 A 166 166 LYS HA H 166 4.151 4.047 0.104 1 1 1548 . 7 1 1 A 166 166 LYS C C 166 179.204 179.512 -0.308 1 1 1549 . 7 1 1 A 166 166 LYS CA C 166 60.208 59.696 0.512 1 1 1550 . 7 1 1 A 166 166 LYS CB C 166 31.801 32.080 -0.279 1 1 1554 . 7 1 1 A 166 166 LYS N N 166 116.769 117.963 -1.194 1 1 1555 . 7 1 1 A 167 167 ASN H H 167 8.125 7.909 0.216 1 1 1556 . 7 1 1 A 167 167 ASN HA H 167 4.349 4.646 -0.297 1 1 1559 . 7 1 1 A 167 167 ASN C C 167 175.612 177.109 -1.497 1 1 1560 . 7 1 1 A 167 167 ASN CA C 167 56.686 55.893 0.793 1 1 1561 . 7 1 1 A 167 167 ASN CB C 167 38.650 38.945 -0.295 1 1 1562 . 7 1 1 A 167 167 ASN N N 167 114.773 117.509 -2.736 1 1 1563 . 7 1 1 A 168 168 VAL H H 168 7.365 7.777 -0.412 1 1 1564 . 7 1 1 A 168 168 VAL HA H 168 2.910 3.790 -0.880 1 1 1569 . 7 1 1 A 168 168 VAL C C 168 175.770 178.216 -2.446 1 1 1570 . 7 1 1 A 168 168 VAL CA C 168 67.103 65.186 1.917 1 1 1571 . 7 1 1 A 168 168 VAL CB C 168 30.845 31.435 -0.590 1 1 1574 . 7 1 1 A 168 168 VAL N N 168 117.042 119.670 -2.628 1 1 1575 . 7 1 1 A 169 169 PHE H H 169 6.368 8.464 -2.096 1 1 1576 . 7 1 1 A 169 169 PHE HA H 169 3.751 4.221 -0.470 1 1 1579 . 7 1 1 A 169 169 PHE C C 169 178.202 177.396 0.806 1 1 1580 . 7 1 1 A 169 169 PHE CA C 169 61.975 61.157 0.818 1 1 1581 . 7 1 1 A 169 169 PHE CB C 169 38.990 39.279 -0.289 1 1 1582 . 7 1 1 A 169 169 PHE N N 169 113.983 122.417 -8.434 1 1 1583 . 7 1 1 A 170 170 ASP H H 170 7.906 8.130 -0.224 1 1 1584 . 7 1 1 A 170 170 ASP HA H 170 4.338 4.148 0.190 1 1 1586 . 7 1 1 A 170 170 ASP C C 170 178.596 179.421 -0.825 1 1 1587 . 7 1 1 A 170 170 ASP CA C 170 57.540 57.373 0.167 1 1 1588 . 7 1 1 A 170 170 ASP CB C 170 39.481 40.156 -0.675 1 1 1589 . 7 1 1 A 170 170 ASP N N 170 120.793 119.800 0.993 1 1 1590 . 7 1 1 A 171 171 GLU H H 171 8.048 7.593 0.455 1 1 1591 . 7 1 1 A 171 171 GLU HA H 171 3.989 3.957 0.032 1 1 1594 . 7 1 1 A 171 171 GLU C C 171 179.405 179.110 0.295 1 1 1595 . 7 1 1 A 171 171 GLU CA C 171 58.130 58.400 -0.270 1 1 1596 . 7 1 1 A 171 171 GLU CB C 171 27.546 28.389 -0.843 1 1 1598 . 7 1 1 A 171 171 GLU N N 171 115.893 119.171 -3.278 1 1 1599 . 7 1 1 A 172 172 ALA H H 172 7.937 7.850 0.087 1 1 1600 . 7 1 1 A 172 172 ALA HA H 172 3.759 3.999 -0.240 1 1 1604 . 7 1 1 A 172 172 ALA C C 172 177.968 180.026 -2.058 1 1 1605 . 7 1 1 A 172 172 ALA CA C 172 55.395 55.001 0.394 1 1 1606 . 7 1 1 A 172 172 ALA CB C 172 17.084 18.246 -1.162 1 1 1607 . 7 1 1 A 172 172 ALA N N 172 123.733 122.914 0.819 1 1 1608 . 7 1 1 A 173 173 ILE H H 173 7.645 7.274 0.371 1 1 1609 . 7 1 1 A 173 173 ILE HA H 173 3.314 3.582 -0.268 1 1 1615 . 7 1 1 A 173 173 ILE C C 173 177.082 178.663 -1.581 1 1 1616 . 7 1 1 A 173 173 ILE CA C 173 65.755 64.588 1.167 1 1 1617 . 7 1 1 A 173 173 ILE CB C 173 37.448 37.250 0.198 1 1 1621 . 7 1 1 A 173 173 ILE N N 173 116.213 119.448 -3.235 1 1 1622 . 7 1 1 A 174 174 LEU H H 174 7.703 8.098 -0.395 1 1 1623 . 7 1 1 A 174 174 LEU HA H 174 3.760 3.860 -0.100 1 1 1629 . 7 1 1 A 174 174 LEU C C 174 179.847 179.089 0.758 1 1 1630 . 7 1 1 A 174 174 LEU CA C 174 58.049 57.913 0.136 1 1 1631 . 7 1 1 A 174 174 LEU CB C 174 40.973 41.274 -0.301 1 1 1634 . 7 1 1 A 174 174 LEU N N 174 116.496 120.139 -3.643 1 1 1635 . 7 1 1 A 175 175 ALA H H 175 7.927 7.810 0.117 1 1 1636 . 7 1 1 A 175 175 ALA HA H 175 4.057 3.889 0.168 1 1 1640 . 7 1 1 A 175 175 ALA C C 175 178.605 179.374 -0.769 1 1 1641 . 7 1 1 A 175 175 ALA CA C 175 54.004 55.112 -1.108 1 1 1642 . 7 1 1 A 175 175 ALA CB C 175 18.464 18.293 0.171 1 1 1643 . 7 1 1 A 175 175 ALA N N 175 118.760 121.568 -2.808 1 1 1644 . 7 1 1 A 176 176 ALA H H 176 7.647 7.521 0.126 1 1 1645 . 7 1 1 A 176 176 ALA HA H 176 4.035 4.026 0.009 1 1 1649 . 7 1 1 A 176 176 ALA C C 176 178.284 179.786 -1.502 1 1 1650 . 7 1 1 A 176 176 ALA CA C 176 53.335 54.852 -1.517 1 1 1651 . 7 1 1 A 176 176 ALA CB C 176 18.985 18.069 0.916 1 1 1652 . 7 1 1 A 176 176 ALA N N 176 117.532 120.623 -3.091 1 1 1653 . 7 1 1 A 177 177 LEU H H 177 7.419 7.274 0.145 1 1 1654 . 7 1 1 A 177 177 LEU HA H 177 4.210 3.876 0.334 1 1 1658 . 7 1 1 A 177 177 LEU C C 177 174.091 177.497 -3.406 1 1 1659 . 7 1 1 A 177 177 LEU CA C 177 55.035 57.676 -2.641 1 1 1660 . 7 1 1 A 177 177 LEU CB C 177 42.340 41.856 0.484 1 1 1663 . 7 1 1 A 177 177 LEU N N 177 115.220 118.582 -3.362 1 1 9 . 8 1 1 A 2 2 GLN H H 2 8.458 7.962 0.496 1 1 10 . 8 1 1 A 2 2 GLN HA H 2 4.330 4.348 -0.018 1 1 17 . 8 1 1 A 2 2 GLN C C 2 176.274 176.360 -0.086 1 1 18 . 8 1 1 A 2 2 GLN CA C 2 55.806 58.394 -2.588 1 1 19 . 8 1 1 A 2 2 GLN CB C 2 32.011 29.277 2.734 1 1 21 . 8 1 1 A 2 2 GLN N N 2 121.530 117.584 3.946 1 1 23 . 8 1 1 A 3 3 THR H H 3 7.618 7.922 -0.304 1 1 24 . 8 1 1 A 3 3 THR HA H 3 4.683 5.079 -0.396 1 1 29 . 8 1 1 A 3 3 THR C C 3 173.331 173.340 -0.009 1 1 30 . 8 1 1 A 3 3 THR CA C 3 61.640 59.594 2.046 1 1 31 . 8 1 1 A 3 3 THR CB C 3 70.160 71.946 -1.786 1 1 33 . 8 1 1 A 3 3 THR N N 3 120.510 109.996 10.514 1 1 34 . 8 1 1 A 4 4 ILE H H 4 9.077 9.071 0.006 1 1 35 . 8 1 1 A 4 4 ILE HA H 4 4.418 4.567 -0.149 1 1 38 . 8 1 1 A 4 4 ILE C C 4 173.824 174.974 -1.150 1 1 39 . 8 1 1 A 4 4 ILE CA C 4 59.775 60.230 -0.455 1 1 40 . 8 1 1 A 4 4 ILE CB C 4 40.441 39.871 0.570 1 1 44 . 8 1 1 A 4 4 ILE N N 4 127.486 122.392 5.094 1 1 45 . 8 1 1 A 5 5 LYS H H 5 10.666 8.869 1.797 1 1 46 . 8 1 1 A 5 5 LYS HA H 5 4.773 4.809 -0.036 1 1 47 . 8 1 1 A 5 5 LYS C C 5 174.398 175.392 -0.994 1 1 48 . 8 1 1 A 5 5 LYS CA C 5 56.175 56.108 0.067 1 1 49 . 8 1 1 A 5 5 LYS CB C 5 31.965 33.158 -1.193 1 1 52 . 8 1 1 A 5 5 LYS N N 5 131.626 127.374 4.252 1 1 53 . 8 1 1 A 6 6 CYS H H 6 9.473 8.951 0.522 1 1 54 . 8 1 1 A 6 6 CYS HA H 6 5.580 5.053 0.527 1 1 57 . 8 1 1 A 6 6 CYS C C 6 172.210 173.011 -0.801 1 1 58 . 8 1 1 A 6 6 CYS CA C 6 56.195 56.843 -0.648 1 1 59 . 8 1 1 A 6 6 CYS CB C 6 28.604 29.457 -0.853 1 1 60 . 8 1 1 A 6 6 CYS N N 6 131.522 123.606 7.916 1 1 61 . 8 1 1 A 7 7 VAL H H 7 7.607 8.758 -1.151 1 1 62 . 8 1 1 A 7 7 VAL HA H 7 5.014 4.917 0.097 1 1 70 . 8 1 1 A 7 7 VAL C C 7 174.077 174.623 -0.546 1 1 71 . 8 1 1 A 7 7 VAL CA C 7 60.575 61.058 -0.483 1 1 72 . 8 1 1 A 7 7 VAL CB C 7 33.100 34.734 -1.634 1 1 74 . 8 1 1 A 7 7 VAL N N 7 128.326 126.984 1.342 1 1 75 . 8 1 1 A 8 8 VAL H H 8 8.566 8.242 0.324 1 1 76 . 8 1 1 A 8 8 VAL HA H 8 4.784 4.609 0.175 1 1 84 . 8 1 1 A 8 8 VAL C C 8 174.443 175.179 -0.736 1 1 85 . 8 1 1 A 8 8 VAL CA C 8 61.573 61.292 0.281 1 1 86 . 8 1 1 A 8 8 VAL CB C 8 32.367 33.175 -0.808 1 1 88 . 8 1 1 A 8 8 VAL N N 8 127.481 127.066 0.415 1 1 89 . 8 1 1 A 9 9 VAL H H 9 8.923 8.471 0.452 1 1 90 . 8 1 1 A 9 9 VAL HA H 9 4.419 4.850 -0.431 1 1 98 . 8 1 1 A 9 9 VAL C C 9 173.171 174.957 -1.786 1 1 99 . 8 1 1 A 9 9 VAL CA C 9 58.397 60.541 -2.144 1 1 100 . 8 1 1 A 9 9 VAL CB C 9 35.085 34.689 0.396 1 1 102 . 8 1 1 A 9 9 VAL N N 9 116.900 126.754 -9.854 1 1 103 . 8 1 1 A 10 10 GLY H H 10 6.267 8.611 -2.344 1 1 104 . 8 1 1 A 10 10 GLY HA2 H 10 4.159 4.367 -0.208 1 1 105 . 8 1 1 A 10 10 GLY HA3 H 10 1.722 4.403 -2.681 1 1 106 . 8 1 1 A 10 10 GLY C C 10 172.378 171.826 0.552 1 1 107 . 8 1 1 A 10 10 GLY CA C 10 42.935 45.122 -2.187 1 1 108 . 8 1 1 A 10 10 GLY N N 10 106.077 113.874 -7.797 1 1 109 . 8 1 1 A 11 11 ASP H H 11 8.399 8.817 -0.418 1 1 110 . 8 1 1 A 11 11 ASP HA H 11 4.737 4.973 -0.236 1 1 112 . 8 1 1 A 11 11 ASP C C 11 177.486 176.596 0.890 1 1 113 . 8 1 1 A 11 11 ASP CA C 11 55.635 54.203 1.432 1 1 114 . 8 1 1 A 11 11 ASP CB C 11 41.076 41.847 -0.771 1 1 115 . 8 1 1 A 11 11 ASP N N 11 119.142 121.374 -2.232 1 1 116 . 8 1 1 A 12 12 GLY H H 12 8.902 8.703 0.199 1 1 117 . 8 1 1 A 12 12 GLY HA2 H 12 3.954 3.840 0.114 1 1 118 . 8 1 1 A 12 12 GLY HA3 H 12 3.718 3.843 -0.125 1 1 119 . 8 1 1 A 12 12 GLY C C 12 173.624 174.317 -0.693 1 1 120 . 8 1 1 A 12 12 GLY CA C 12 46.955 47.290 -0.335 1 1 121 . 8 1 1 A 12 12 GLY N N 12 104.688 115.725 -11.037 1 1 122 . 8 1 1 A 13 13 ALA H H 13 10.666 8.375 2.291 1 1 123 . 8 1 1 A 13 13 ALA HA H 13 4.067 4.265 -0.198 1 1 127 . 8 1 1 A 13 13 ALA CA C 13 53.455 53.286 0.169 1 1 128 . 8 1 1 A 13 13 ALA CB C 13 15.706 18.090 -2.384 1 1 129 . 8 1 1 A 13 13 ALA N N 13 123.135 122.294 0.841 1 1 130 . 8 1 1 A 14 14 VAL H H 14 7.663 8.442 -0.779 1 1 131 . 8 1 1 A 14 14 VAL HA H 14 4.146 3.753 0.393 1 1 132 . 8 1 1 A 14 14 VAL C C 14 175.007 177.303 -2.296 1 1 133 . 8 1 1 A 14 14 VAL CA C 14 62.015 66.389 -4.374 1 1 134 . 8 1 1 A 14 14 VAL N N 14 118.803 124.134 -5.331 1 1 135 . 8 1 1 A 15 15 GLY H H 15 8.686 8.111 0.575 1 1 136 . 8 1 1 A 15 15 GLY HA2 H 15 4.838 4.133 0.705 1 1 137 . 8 1 1 A 15 15 GLY HA3 H 15 4.312 4.137 0.175 1 1 138 . 8 1 1 A 15 15 GLY C C 15 175.934 175.152 0.782 1 1 139 . 8 1 1 A 15 15 GLY CA C 15 44.835 46.480 -1.645 1 1 140 . 8 1 1 A 15 15 GLY N N 15 110.360 108.684 1.676 1 1 141 . 8 1 1 A 16 16 LYS H H 16 10.352 7.895 2.457 1 1 142 . 8 1 1 A 16 16 LYS HA H 16 3.575 3.928 -0.353 1 1 143 . 8 1 1 A 16 16 LYS C C 16 176.582 178.979 -2.397 1 1 144 . 8 1 1 A 16 16 LYS CA C 16 60.695 58.643 2.052 1 1 145 . 8 1 1 A 16 16 LYS CB C 16 29.661 32.215 -2.554 1 1 146 . 8 1 1 A 16 16 LYS N N 16 125.835 122.497 3.338 1 1 147 . 8 1 1 A 17 17 THR H H 17 9.024 8.177 0.847 1 1 148 . 8 1 1 A 17 17 THR HA H 17 3.930 4.247 -0.317 1 1 153 . 8 1 1 A 17 17 THR C C 17 177.493 176.741 0.752 1 1 154 . 8 1 1 A 17 17 THR CA C 17 66.984 64.838 2.146 1 1 155 . 8 1 1 A 17 17 THR CB C 17 67.298 68.509 -1.211 1 1 157 . 8 1 1 A 17 17 THR N N 17 118.089 114.349 3.740 1 1 158 . 8 1 1 A 18 18 CYS H H 18 9.773 8.186 1.587 1 1 159 . 8 1 1 A 18 18 CYS HA H 18 3.580 4.225 -0.645 1 1 162 . 8 1 1 A 18 18 CYS C C 18 176.716 177.437 -0.721 1 1 163 . 8 1 1 A 18 18 CYS CA C 18 65.816 62.030 3.786 1 1 164 . 8 1 1 A 18 18 CYS CB C 18 27.655 27.031 0.624 1 1 165 . 8 1 1 A 18 18 CYS N N 18 119.747 120.651 -0.904 1 1 166 . 8 1 1 A 19 19 LEU H H 19 8.195 7.901 0.294 1 1 167 . 8 1 1 A 19 19 LEU HA H 19 3.940 4.175 -0.235 1 1 174 . 8 1 1 A 19 19 LEU C C 19 177.177 178.755 -1.578 1 1 175 . 8 1 1 A 19 19 LEU CA C 19 59.366 57.885 1.481 1 1 176 . 8 1 1 A 19 19 LEU CB C 19 41.377 41.581 -0.204 1 1 178 . 8 1 1 A 19 19 LEU N N 19 121.557 124.158 -2.601 1 1 179 . 8 1 1 A 20 20 LEU H H 20 7.270 8.247 -0.977 1 1 180 . 8 1 1 A 20 20 LEU HA H 20 3.840 4.145 -0.305 1 1 189 . 8 1 1 A 20 20 LEU C C 20 180.155 179.413 0.742 1 1 190 . 8 1 1 A 20 20 LEU CA C 20 57.629 57.978 -0.349 1 1 191 . 8 1 1 A 20 20 LEU CB C 20 41.498 41.715 -0.217 1 1 194 . 8 1 1 A 20 20 LEU N N 20 117.986 117.699 0.287 1 1 195 . 8 1 1 A 21 21 ILE H H 21 8.619 7.924 0.695 1 1 196 . 8 1 1 A 21 21 ILE HA H 21 3.090 3.940 -0.850 1 1 202 . 8 1 1 A 21 21 ILE C C 21 179.125 177.880 1.245 1 1 203 . 8 1 1 A 21 21 ILE CA C 21 66.129 65.026 1.103 1 1 204 . 8 1 1 A 21 21 ILE CB C 21 38.338 36.656 1.682 1 1 208 . 8 1 1 A 21 21 ILE N N 21 121.078 120.886 0.192 1 1 209 . 8 1 1 A 22 22 SER H H 22 8.899 8.437 0.462 1 1 210 . 8 1 1 A 22 22 SER HA H 22 4.517 4.388 0.129 1 1 213 . 8 1 1 A 22 22 SER C C 22 176.876 176.721 0.155 1 1 214 . 8 1 1 A 22 22 SER CA C 22 61.380 61.575 -0.195 1 1 215 . 8 1 1 A 22 22 SER CB C 22 63.882 62.764 1.118 1 1 216 . 8 1 1 A 22 22 SER N N 22 118.286 116.115 2.171 1 1 217 . 8 1 1 A 23 23 TYR H H 23 7.951 7.656 0.295 1 1 218 . 8 1 1 A 23 23 TYR HA H 23 4.264 4.305 -0.041 1 1 223 . 8 1 1 A 23 23 TYR C C 23 176.820 177.672 -0.852 1 1 224 . 8 1 1 A 23 23 TYR CA C 23 60.474 61.288 -0.814 1 1 225 . 8 1 1 A 23 23 TYR CB C 23 39.531 38.481 1.050 1 1 226 . 8 1 1 A 23 23 TYR N N 23 117.292 123.833 -6.541 1 1 227 . 8 1 1 A 24 24 THR H H 24 7.702 7.675 0.027 1 1 228 . 8 1 1 A 24 24 THR HA H 24 3.614 4.077 -0.463 1 1 233 . 8 1 1 A 24 24 THR C C 24 176.500 174.868 1.632 1 1 234 . 8 1 1 A 24 24 THR CA C 24 64.095 65.028 -0.933 1 1 235 . 8 1 1 A 24 24 THR CB C 24 70.437 68.659 1.778 1 1 237 . 8 1 1 A 24 24 THR N N 24 105.659 112.995 -7.336 1 1 238 . 8 1 1 A 25 25 THR H H 25 8.080 7.743 0.337 1 1 239 . 8 1 1 A 25 25 THR HA H 25 4.556 4.557 -0.001 1 1 244 . 8 1 1 A 25 25 THR C C 25 175.025 174.249 0.776 1 1 245 . 8 1 1 A 25 25 THR CA C 25 61.975 61.550 0.425 1 1 246 . 8 1 1 A 25 25 THR CB C 25 72.012 71.241 0.771 1 1 248 . 8 1 1 A 25 25 THR N N 25 109.689 115.129 -5.440 1 1 249 . 8 1 1 A 26 26 ASN H H 26 7.603 7.926 -0.323 1 1 250 . 8 1 1 A 26 26 ASN HA H 26 4.501 4.633 -0.132 1 1 253 . 8 1 1 A 26 26 ASN C C 26 173.259 173.356 -0.097 1 1 254 . 8 1 1 A 26 26 ASN CA C 26 55.218 53.855 1.363 1 1 255 . 8 1 1 A 26 26 ASN CB C 26 38.009 37.453 0.556 1 1 256 . 8 1 1 A 26 26 ASN N N 26 115.569 119.373 -3.804 1 1 257 . 8 1 1 A 27 27 LYS H H 27 7.698 7.914 -0.216 1 1 258 . 8 1 1 A 27 27 LYS HA H 27 4.431 4.231 0.200 1 1 261 . 8 1 1 A 27 27 LYS C C 27 173.500 175.514 -2.014 1 1 262 . 8 1 1 A 27 27 LYS CA C 27 55.163 55.483 -0.320 1 1 263 . 8 1 1 A 27 27 LYS CB C 27 35.034 32.464 2.570 1 1 267 . 8 1 1 A 27 27 LYS N N 27 118.253 125.553 -7.300 1 1 268 . 8 1 1 A 28 28 PHE H H 28 8.554 6.915 1.639 1 1 269 . 8 1 1 A 28 28 PHE CA C 28 55.575 60.755 -5.180 1 1 270 . 8 1 1 A 28 28 PHE CB C 28 39.322 37.957 1.365 1 1 271 . 8 1 1 A 28 28 PHE N N 28 125.682 123.111 2.571 1 1 272 . 8 1 1 A 29 29 PRO HA H 29 4.373 4.335 0.038 1 1 274 . 8 1 1 A 29 29 PRO C C 29 173.611 177.367 -3.756 1 1 275 . 8 1 1 A 29 29 PRO CA C 29 61.978 65.876 -3.898 1 1 276 . 8 1 1 A 29 29 PRO CB C 29 30.039 30.476 -0.437 1 1 279 . 8 1 1 A 30 30 SER H H 30 7.993 8.139 -0.146 1 1 280 . 8 1 1 A 30 30 SER HA H 30 4.285 4.190 0.095 1 1 283 . 8 1 1 A 30 30 SER C C 30 174.665 174.385 0.280 1 1 284 . 8 1 1 A 30 30 SER CA C 30 58.948 59.021 -0.073 1 1 285 . 8 1 1 A 30 30 SER CB C 30 64.019 61.051 2.968 1 1 286 . 8 1 1 A 30 30 SER N N 30 116.682 112.904 3.778 1 1 287 . 8 1 1 A 31 31 GLU H H 31 8.198 7.972 0.226 1 1 288 . 8 1 1 A 31 31 GLU HA H 31 4.308 4.134 0.174 1 1 292 . 8 1 1 A 31 31 GLU C C 31 175.157 176.210 -1.053 1 1 293 . 8 1 1 A 31 31 GLU CA C 31 56.846 59.243 -2.397 1 1 294 . 8 1 1 A 31 31 GLU CB C 31 30.113 29.552 0.561 1 1 296 . 8 1 1 A 31 31 GLU N N 31 120.151 120.905 -0.754 1 1 297 . 8 1 1 A 32 32 TYR H H 32 7.714 7.907 -0.193 1 1 298 . 8 1 1 A 32 32 TYR HA H 32 4.407 4.815 -0.408 1 1 302 . 8 1 1 A 32 32 TYR C C 32 173.544 173.946 -0.402 1 1 303 . 8 1 1 A 32 32 TYR CA C 32 58.368 55.872 2.496 1 1 304 . 8 1 1 A 32 32 TYR CB C 32 38.614 41.391 -2.777 1 1 305 . 8 1 1 A 32 32 TYR N N 32 118.548 119.107 -0.559 1 1 306 . 8 1 1 A 33 33 VAL H H 33 7.764 8.261 -0.497 1 1 307 . 8 1 1 A 33 33 VAL HA H 33 4.048 4.230 -0.182 1 1 315 . 8 1 1 A 33 33 VAL CA C 33 58.575 60.837 -2.262 1 1 316 . 8 1 1 A 33 33 VAL CB C 33 33.600 31.454 2.146 1 1 317 . 8 1 1 A 33 33 VAL N N 33 125.992 123.472 2.520 1 1 318 . 8 1 1 A 34 34 PRO HA H 34 4.215 4.501 -0.286 1 1 320 . 8 1 1 A 34 34 PRO C C 34 175.627 177.329 -1.702 1 1 321 . 8 1 1 A 34 34 PRO CA C 34 61.655 62.899 -1.244 1 1 322 . 8 1 1 A 34 34 PRO CB C 34 31.965 32.634 -0.669 1 1 325 . 8 1 1 A 35 35 ALA H H 35 8.503 8.562 -0.059 1 1 326 . 8 1 1 A 35 35 ALA HA H 35 4.190 4.109 0.081 1 1 330 . 8 1 1 A 35 35 ALA C C 35 178.295 177.415 0.880 1 1 331 . 8 1 1 A 35 35 ALA CA C 35 54.499 54.410 0.089 1 1 332 . 8 1 1 A 35 35 ALA CB C 35 18.235 19.222 -0.987 1 1 333 . 8 1 1 A 35 35 ALA N N 35 123.063 123.896 -0.833 1 1 334 . 8 1 1 A 36 36 VAL H H 36 8.032 7.454 0.578 1 1 335 . 8 1 1 A 36 36 VAL HA H 36 4.258 4.622 -0.364 1 1 340 . 8 1 1 A 36 36 VAL CA C 36 60.200 58.935 1.265 1 1 341 . 8 1 1 A 36 36 VAL CB C 36 29.879 35.054 -5.175 1 1 342 . 8 1 1 A 36 36 VAL N N 36 116.770 113.056 3.714 1 1 344 . 8 1 1 A 37 37 PHE C C 37 174.502 175.561 -1.059 1 1 345 . 8 1 1 A 37 37 PHE CA C 37 56.175 57.121 -0.946 1 1 346 . 8 1 1 A 37 37 PHE CB C 37 40.231 38.629 1.602 1 1 347 . 8 1 1 A 38 38 ASP H H 38 7.602 7.664 -0.062 1 1 348 . 8 1 1 A 38 38 ASP HA H 38 4.343 4.541 -0.198 1 1 351 . 8 1 1 A 38 38 ASP C C 38 174.386 175.768 -1.382 1 1 352 . 8 1 1 A 38 38 ASP CA C 38 54.323 54.533 -0.210 1 1 353 . 8 1 1 A 38 38 ASP CB C 38 40.815 41.013 -0.198 1 1 354 . 8 1 1 A 38 38 ASP N N 38 125.774 120.458 5.316 1 1 355 . 8 1 1 A 39 39 ASN H H 39 7.917 8.519 -0.602 1 1 356 . 8 1 1 A 39 39 ASN HA H 39 4.303 4.717 -0.414 1 1 360 . 8 1 1 A 39 39 ASN C C 39 173.897 174.019 -0.122 1 1 361 . 8 1 1 A 39 39 ASN CA C 39 54.317 53.022 1.295 1 1 362 . 8 1 1 A 39 39 ASN CB C 39 38.180 39.487 -1.307 1 1 363 . 8 1 1 A 39 39 ASN N N 39 117.429 121.661 -4.232 1 1 365 . 8 1 1 A 40 40 TYR H H 40 7.726 8.870 -1.144 1 1 366 . 8 1 1 A 40 40 TYR HA H 40 4.513 5.164 -0.651 1 1 370 . 8 1 1 A 40 40 TYR C C 40 172.772 174.578 -1.806 1 1 371 . 8 1 1 A 40 40 TYR CA C 40 57.335 56.902 0.433 1 1 372 . 8 1 1 A 40 40 TYR CB C 40 42.956 42.774 0.182 1 1 373 . 8 1 1 A 40 40 TYR N N 40 122.998 123.068 -0.070 1 1 374 . 8 1 1 A 41 41 ALA H H 41 7.651 8.836 -1.185 1 1 375 . 8 1 1 A 41 41 ALA HA H 41 5.636 5.432 0.204 1 1 379 . 8 1 1 A 41 41 ALA C C 41 175.778 176.761 -0.983 1 1 380 . 8 1 1 A 41 41 ALA CA C 41 50.456 50.142 0.314 1 1 381 . 8 1 1 A 41 41 ALA CB C 41 20.492 21.804 -1.312 1 1 382 . 8 1 1 A 41 41 ALA N N 41 127.028 125.207 1.821 1 1 383 . 8 1 1 A 42 42 VAL H H 42 8.781 9.127 -0.346 1 1 384 . 8 1 1 A 42 42 VAL HA H 42 4.564 5.138 -0.574 1 1 389 . 8 1 1 A 42 42 VAL C C 42 173.852 174.724 -0.872 1 1 390 . 8 1 1 A 42 42 VAL CA C 42 59.278 59.347 -0.069 1 1 391 . 8 1 1 A 42 42 VAL CB C 42 35.342 35.979 -0.637 1 1 393 . 8 1 1 A 42 42 VAL N N 42 117.471 116.178 1.293 1 1 394 . 8 1 1 A 43 43 THR H H 43 8.566 9.025 -0.459 1 1 395 . 8 1 1 A 43 43 THR HA H 43 5.124 5.603 -0.479 1 1 400 . 8 1 1 A 43 43 THR C C 43 174.210 173.608 0.602 1 1 401 . 8 1 1 A 43 43 THR CA C 43 62.434 59.725 2.709 1 1 402 . 8 1 1 A 43 43 THR CB C 43 69.296 71.454 -2.158 1 1 404 . 8 1 1 A 43 43 THR N N 43 120.850 116.074 4.776 1 1 405 . 8 1 1 A 44 44 VAL H H 44 9.442 8.881 0.561 1 1 406 . 8 1 1 A 44 44 VAL HA H 44 4.367 4.669 -0.302 1 1 411 . 8 1 1 A 44 44 VAL C C 44 174.061 174.941 -0.880 1 1 412 . 8 1 1 A 44 44 VAL CA C 44 60.639 60.747 -0.108 1 1 413 . 8 1 1 A 44 44 VAL CB C 44 35.053 34.868 0.185 1 1 415 . 8 1 1 A 44 44 VAL N N 44 127.764 123.046 4.718 1 1 416 . 8 1 1 A 45 45 MET H H 45 8.513 8.731 -0.218 1 1 417 . 8 1 1 A 45 45 MET HA H 45 5.272 4.932 0.340 1 1 421 . 8 1 1 A 45 45 MET C C 45 176.395 175.985 0.410 1 1 422 . 8 1 1 A 45 45 MET CA C 45 53.264 54.330 -1.066 1 1 423 . 8 1 1 A 45 45 MET CB C 45 31.692 32.169 -0.477 1 1 424 . 8 1 1 A 45 45 MET N N 45 123.063 125.160 -2.097 1 1 425 . 8 1 1 A 46 46 ILE H H 46 9.103 8.780 0.323 1 1 426 . 8 1 1 A 46 46 ILE HA H 46 4.382 4.569 -0.187 1 1 434 . 8 1 1 A 46 46 ILE C C 46 177.661 176.467 1.194 1 1 435 . 8 1 1 A 46 46 ILE CA C 46 59.755 60.214 -0.459 1 1 436 . 8 1 1 A 46 46 ILE CB C 46 38.913 40.639 -1.726 1 1 440 . 8 1 1 A 46 46 ILE N N 46 125.267 125.536 -0.269 1 1 441 . 8 1 1 A 47 47 GLY H H 47 9.385 9.784 -0.399 1 1 442 . 8 1 1 A 47 47 GLY HA2 H 47 4.755 3.891 0.864 1 1 443 . 8 1 1 A 47 47 GLY HA3 H 47 3.851 3.901 -0.050 1 1 444 . 8 1 1 A 47 47 GLY C C 47 175.195 175.412 -0.217 1 1 445 . 8 1 1 A 47 47 GLY CA C 47 47.015 46.814 0.201 1 1 446 . 8 1 1 A 47 47 GLY N N 47 119.278 117.797 1.481 1 1 447 . 8 1 1 A 48 48 GLY H H 48 8.606 8.677 -0.071 1 1 448 . 8 1 1 A 48 48 GLY HA2 H 48 4.140 3.895 0.245 1 1 449 . 8 1 1 A 48 48 GLY HA3 H 48 3.623 3.896 -0.273 1 1 450 . 8 1 1 A 48 48 GLY C C 48 172.844 174.027 -1.183 1 1 451 . 8 1 1 A 48 48 GLY CA C 48 44.889 45.339 -0.450 1 1 452 . 8 1 1 A 48 48 GLY N N 48 104.656 107.616 -2.960 1 1 453 . 8 1 1 A 49 49 GLU H H 49 7.722 9.874 -2.152 1 1 454 . 8 1 1 A 49 49 GLU HA H 49 4.182 4.624 -0.442 1 1 457 . 8 1 1 A 49 49 GLU CA C 49 52.336 53.742 -1.406 1 1 458 . 8 1 1 A 49 49 GLU CB C 49 31.160 30.413 0.747 1 1 459 . 8 1 1 A 49 49 GLU N N 49 120.543 121.464 -0.921 1 1 460 . 8 1 1 A 50 50 PRO HA H 50 4.977 4.655 0.322 1 1 462 . 8 1 1 A 50 50 PRO C C 50 177.922 175.316 2.606 1 1 463 . 8 1 1 A 50 50 PRO CA C 50 62.080 63.195 -1.115 1 1 464 . 8 1 1 A 50 50 PRO CB C 50 32.147 31.925 0.222 1 1 465 . 8 1 1 A 51 51 TYR H H 51 9.148 8.446 0.702 1 1 466 . 8 1 1 A 51 51 TYR HA H 51 4.683 5.032 -0.349 1 1 470 . 8 1 1 A 51 51 TYR C C 51 176.400 176.125 0.275 1 1 471 . 8 1 1 A 51 51 TYR CA C 51 57.344 56.569 0.775 1 1 472 . 8 1 1 A 51 51 TYR CB C 51 41.669 41.522 0.147 1 1 473 . 8 1 1 A 51 51 TYR N N 51 121.300 124.094 -2.794 1 1 474 . 8 1 1 A 52 52 THR H H 52 8.889 9.029 -0.140 1 1 475 . 8 1 1 A 52 52 THR HA H 52 4.113 4.586 -0.473 1 1 477 . 8 1 1 A 52 52 THR C C 52 172.149 173.433 -1.284 1 1 478 . 8 1 1 A 52 52 THR CA C 52 62.400 62.824 -0.424 1 1 479 . 8 1 1 A 52 52 THR CB C 52 69.447 69.477 -0.030 1 1 481 . 8 1 1 A 52 52 THR N N 52 119.482 118.859 0.623 1 1 482 . 8 1 1 A 53 53 LEU H H 53 9.480 9.403 0.077 1 1 483 . 8 1 1 A 53 53 LEU HA H 53 5.030 5.307 -0.277 1 1 491 . 8 1 1 A 53 53 LEU C C 53 174.307 174.861 -0.554 1 1 492 . 8 1 1 A 53 53 LEU CA C 53 53.375 53.477 -0.102 1 1 493 . 8 1 1 A 53 53 LEU CB C 53 44.216 45.174 -0.958 1 1 496 . 8 1 1 A 53 53 LEU N N 53 131.364 129.325 2.039 1 1 497 . 8 1 1 A 54 54 GLY H H 54 9.749 9.135 0.614 1 1 498 . 8 1 1 A 54 54 GLY HA2 H 54 4.571 4.138 0.433 1 1 499 . 8 1 1 A 54 54 GLY HA3 H 54 3.577 4.139 -0.562 1 1 500 . 8 1 1 A 54 54 GLY C C 54 171.929 171.516 0.413 1 1 501 . 8 1 1 A 54 54 GLY CA C 54 45.195 44.358 0.837 1 1 502 . 8 1 1 A 54 54 GLY N N 54 115.640 113.992 1.648 1 1 503 . 8 1 1 A 55 55 LEU H H 55 8.623 8.745 -0.122 1 1 504 . 8 1 1 A 55 55 LEU HA H 55 5.104 5.028 0.076 1 1 510 . 8 1 1 A 55 55 LEU C C 55 176.000 175.557 0.443 1 1 511 . 8 1 1 A 55 55 LEU CA C 55 54.202 53.065 1.137 1 1 512 . 8 1 1 A 55 55 LEU CB C 55 44.057 43.453 0.604 1 1 515 . 8 1 1 A 55 55 LEU N N 55 125.141 125.258 -0.117 1 1 516 . 8 1 1 A 56 56 PHE H H 56 8.735 9.245 -0.510 1 1 517 . 8 1 1 A 56 56 PHE HA H 56 4.821 5.359 -0.538 1 1 521 . 8 1 1 A 56 56 PHE C C 56 173.130 174.544 -1.414 1 1 522 . 8 1 1 A 56 56 PHE CA C 56 56.833 56.180 0.653 1 1 523 . 8 1 1 A 56 56 PHE CB C 56 40.776 43.520 -2.744 1 1 524 . 8 1 1 A 56 56 PHE N N 56 122.065 123.099 -1.034 1 1 525 . 8 1 1 A 57 57 ASP H H 57 9.093 9.195 -0.102 1 1 526 . 8 1 1 A 57 57 ASP HA H 57 4.877 5.151 -0.274 1 1 529 . 8 1 1 A 57 57 ASP C C 57 175.941 175.304 0.637 1 1 530 . 8 1 1 A 57 57 ASP CA C 57 51.755 52.953 -1.198 1 1 531 . 8 1 1 A 57 57 ASP CB C 57 43.082 44.552 -1.470 1 1 532 . 8 1 1 A 57 57 ASP N N 57 124.050 118.838 5.212 1 1 533 . 8 1 1 A 58 58 THR H H 58 8.621 8.552 0.069 1 1 534 . 8 1 1 A 58 58 THR HA H 58 3.905 4.689 -0.784 1 1 535 . 8 1 1 A 58 58 THR C C 58 172.124 174.868 -2.744 1 1 536 . 8 1 1 A 58 58 THR CA C 58 60.335 62.944 -2.609 1 1 537 . 8 1 1 A 58 58 THR CB C 58 74.469 69.447 5.022 1 1 538 . 8 1 1 A 58 58 THR N N 58 109.327 115.767 -6.440 1 1 539 . 8 1 1 A 59 59 ALA H H 59 8.695 8.799 -0.104 1 1 540 . 8 1 1 A 59 59 ALA HA H 59 4.565 4.785 -0.220 1 1 544 . 8 1 1 A 59 59 ALA CA C 59 50.475 51.793 -1.318 1 1 545 . 8 1 1 A 59 59 ALA CB C 59 18.224 23.004 -4.780 1 1 546 . 8 1 1 A 59 59 ALA N N 59 123.129 125.596 -2.467 1 1 547 . 8 1 1 A 60 60 GLY H H 60 8.630 8.698 -0.068 1 1 548 . 8 1 1 A 60 60 GLY HA2 H 60 4.420 4.096 0.324 1 1 549 . 8 1 1 A 60 60 GLY HA3 H 60 3.902 4.100 -0.198 1 1 550 . 8 1 1 A 60 60 GLY C C 60 173.122 174.738 -1.616 1 1 551 . 8 1 1 A 60 60 GLY CA C 60 46.178 44.352 1.826 1 1 552 . 8 1 1 A 60 60 GLY N N 60 109.449 107.902 1.547 1 1 553 . 8 1 1 A 61 61 GLN H H 61 8.553 9.032 -0.479 1 1 554 . 8 1 1 A 61 61 GLN HA H 61 4.492 4.088 0.404 1 1 560 . 8 1 1 A 61 61 GLN C C 61 177.014 175.867 1.147 1 1 561 . 8 1 1 A 61 61 GLN CA C 61 56.895 57.073 -0.178 1 1 562 . 8 1 1 A 61 61 GLN CB C 61 28.863 28.430 0.433 1 1 564 . 8 1 1 A 61 61 GLN N N 61 118.471 119.937 -1.466 1 1 566 . 8 1 1 A 62 62 GLU H H 62 9.082 7.986 1.096 1 1 567 . 8 1 1 A 62 62 GLU HA H 62 4.292 4.210 0.082 1 1 570 . 8 1 1 A 62 62 GLU C C 62 178.273 176.007 2.266 1 1 571 . 8 1 1 A 62 62 GLU CA C 62 58.361 57.051 1.310 1 1 572 . 8 1 1 A 62 62 GLU CB C 62 28.579 30.438 -1.859 1 1 574 . 8 1 1 A 62 62 GLU N N 62 122.087 121.645 0.442 1 1 575 . 8 1 1 A 63 63 ASP H H 63 8.636 8.530 0.106 1 1 576 . 8 1 1 A 63 63 ASP HA H 63 4.348 4.457 -0.109 1 1 579 . 8 1 1 A 63 63 ASP C C 63 176.712 175.996 0.716 1 1 580 . 8 1 1 A 63 63 ASP CA C 63 55.587 54.975 0.612 1 1 581 . 8 1 1 A 63 63 ASP CB C 63 39.571 40.615 -1.044 1 1 582 . 8 1 1 A 63 63 ASP N N 63 117.009 126.721 -9.712 1 1 583 . 8 1 1 A 64 64 TYR H H 64 8.061 8.403 -0.342 1 1 584 . 8 1 1 A 64 64 TYR HA H 64 4.609 4.324 0.285 1 1 587 . 8 1 1 A 64 64 TYR C C 64 176.254 175.674 0.580 1 1 588 . 8 1 1 A 64 64 TYR CA C 64 58.231 58.056 0.175 1 1 589 . 8 1 1 A 64 64 TYR CB C 64 38.650 37.050 1.600 1 1 590 . 8 1 1 A 64 64 TYR N N 64 117.063 123.410 -6.347 1 1 591 . 8 1 1 A 65 65 ASP H H 65 8.064 8.381 -0.317 1 1 592 . 8 1 1 A 65 65 ASP HA H 65 4.439 4.725 -0.286 1 1 594 . 8 1 1 A 65 65 ASP C C 65 175.163 175.564 -0.401 1 1 595 . 8 1 1 A 65 65 ASP CA C 65 57.971 54.483 3.488 1 1 596 . 8 1 1 A 65 65 ASP N N 65 122.196 122.039 0.157 1 1 597 . 8 1 1 A 66 66 ARG H H 66 8.537 7.575 0.962 1 1 598 . 8 1 1 A 66 66 ARG HA H 66 4.345 4.555 -0.210 1 1 599 . 8 1 1 A 66 66 ARG C C 66 175.009 176.302 -1.293 1 1 600 . 8 1 1 A 66 66 ARG CA C 66 56.217 54.319 1.898 1 1 601 . 8 1 1 A 66 66 ARG N N 66 122.224 119.585 2.639 1 1 602 . 8 1 1 A 67 67 LEU H H 67 8.336 8.267 0.069 1 1 603 . 8 1 1 A 67 67 LEU HA H 67 4.037 4.040 -0.003 1 1 604 . 8 1 1 A 67 67 LEU CA C 67 61.694 58.190 3.504 1 1 605 . 8 1 1 A 67 67 LEU N N 67 117.734 123.752 -6.018 1 1 607 . 8 1 1 A 69 69 PRO C C 69 178.122 178.406 -0.284 1 1 608 . 8 1 1 A 69 69 PRO CA C 69 63.575 64.785 -1.210 1 1 611 . 8 1 1 A 70 70 LEU H H 70 7.470 8.039 -0.569 1 1 612 . 8 1 1 A 70 70 LEU HA H 70 4.031 3.991 0.040 1 1 621 . 8 1 1 A 70 70 LEU C C 70 178.756 176.807 1.949 1 1 622 . 8 1 1 A 70 70 LEU CA C 70 56.944 57.449 -0.505 1 1 623 . 8 1 1 A 70 70 LEU CB C 70 40.002 41.770 -1.768 1 1 626 . 8 1 1 A 70 70 LEU N N 70 118.335 118.523 -0.188 1 1 627 . 8 1 1 A 71 71 SER H H 71 7.882 7.460 0.422 1 1 628 . 8 1 1 A 71 71 SER HA H 71 4.461 4.637 -0.176 1 1 630 . 8 1 1 A 71 71 SER C C 71 179.200 173.577 5.623 1 1 631 . 8 1 1 A 71 71 SER CA C 71 59.710 56.468 3.242 1 1 632 . 8 1 1 A 71 71 SER CB C 71 63.841 65.123 -1.282 1 1 633 . 8 1 1 A 71 71 SER N N 71 111.784 114.066 -2.282 1 1 634 . 8 1 1 A 72 72 TYR H H 72 7.362 8.218 -0.856 1 1 635 . 8 1 1 A 72 72 TYR CA C 72 56.002 58.478 -2.476 1 1 636 . 8 1 1 A 72 72 TYR CB C 72 35.144 35.996 -0.852 1 1 637 . 8 1 1 A 72 72 TYR N N 72 119.959 121.678 -1.719 1 1 638 . 8 1 1 A 73 73 PRO HA H 73 4.231 4.609 -0.378 1 1 639 . 8 1 1 A 73 73 PRO C C 73 176.096 175.975 0.121 1 1 640 . 8 1 1 A 73 73 PRO CA C 73 66.055 63.157 2.898 1 1 641 . 8 1 1 A 73 73 PRO CB C 73 35.726 32.164 3.562 1 1 642 . 8 1 1 A 74 74 GLN H H 74 8.995 8.477 0.518 1 1 643 . 8 1 1 A 74 74 GLN HA H 74 3.790 5.152 -1.362 1 1 647 . 8 1 1 A 74 74 GLN C C 74 174.686 174.782 -0.096 1 1 648 . 8 1 1 A 74 74 GLN CA C 74 57.416 54.177 3.239 1 1 649 . 8 1 1 A 74 74 GLN CB C 74 25.352 32.691 -7.339 1 1 651 . 8 1 1 A 74 74 GLN N N 74 114.768 120.500 -5.732 1 1 653 . 8 1 1 A 75 75 THR H H 75 7.504 8.710 -1.206 1 1 654 . 8 1 1 A 75 75 THR HA H 75 3.172 4.877 -1.705 1 1 659 . 8 1 1 A 75 75 THR C C 75 173.589 174.755 -1.166 1 1 660 . 8 1 1 A 75 75 THR CA C 75 67.162 59.190 7.972 1 1 661 . 8 1 1 A 75 75 THR CB C 75 61.122 71.606 -10.484 1 1 663 . 8 1 1 A 75 75 THR N N 75 116.725 113.411 3.314 1 1 664 . 8 1 1 A 76 76 ASP H H 76 8.865 8.284 0.581 1 1 665 . 8 1 1 A 76 76 ASP HA H 76 4.873 4.366 0.507 1 1 668 . 8 1 1 A 76 76 ASP C C 76 177.600 176.168 1.432 1 1 669 . 8 1 1 A 76 76 ASP CA C 76 56.105 57.123 -1.018 1 1 670 . 8 1 1 A 76 76 ASP CB C 76 44.016 42.138 1.878 1 1 671 . 8 1 1 A 76 76 ASP N N 76 124.192 122.383 1.809 1 1 672 . 8 1 1 A 77 77 VAL H H 77 7.578 7.647 -0.069 1 1 673 . 8 1 1 A 77 77 VAL HA H 77 4.706 4.537 0.169 1 1 681 . 8 1 1 A 77 77 VAL C C 77 171.266 174.315 -3.049 1 1 682 . 8 1 1 A 77 77 VAL CA C 77 60.346 60.700 -0.354 1 1 683 . 8 1 1 A 77 77 VAL CB C 77 32.362 35.374 -3.012 1 1 685 . 8 1 1 A 77 77 VAL N N 77 116.060 117.892 -1.832 1 1 686 . 8 1 1 A 78 78 PHE H H 78 8.287 8.820 -0.533 1 1 687 . 8 1 1 A 78 78 PHE HA H 78 5.646 5.119 0.527 1 1 690 . 8 1 1 A 78 78 PHE C C 78 175.799 174.599 1.200 1 1 691 . 8 1 1 A 78 78 PHE CA C 78 56.686 56.539 0.147 1 1 692 . 8 1 1 A 78 78 PHE CB C 78 43.413 40.954 2.459 1 1 693 . 8 1 1 A 78 78 PHE N N 78 121.935 126.189 -4.254 1 1 694 . 8 1 1 A 79 79 LEU H H 79 8.937 8.414 0.523 1 1 695 . 8 1 1 A 79 79 LEU HA H 79 4.691 5.274 -0.583 1 1 701 . 8 1 1 A 79 79 LEU C C 79 174.059 174.676 -0.617 1 1 702 . 8 1 1 A 79 79 LEU CA C 79 53.575 53.710 -0.135 1 1 703 . 8 1 1 A 79 79 LEU CB C 79 41.184 45.210 -4.026 1 1 706 . 8 1 1 A 79 79 LEU N N 79 119.060 125.284 -6.224 1 1 707 . 8 1 1 A 80 80 VAL H H 80 8.828 8.771 0.057 1 1 708 . 8 1 1 A 80 80 VAL HA H 80 4.138 4.799 -0.661 1 1 716 . 8 1 1 A 80 80 VAL C C 80 174.535 174.754 -0.219 1 1 717 . 8 1 1 A 80 80 VAL CA C 80 61.395 61.148 0.247 1 1 718 . 8 1 1 A 80 80 VAL CB C 80 30.602 34.240 -3.638 1 1 721 . 8 1 1 A 80 80 VAL N N 80 124.677 126.428 -1.751 1 1 722 . 8 1 1 A 81 81 CYS H H 81 8.795 8.928 -0.133 1 1 723 . 8 1 1 A 81 81 CYS HA H 81 5.758 5.174 0.584 1 1 726 . 8 1 1 A 81 81 CYS C C 81 173.980 173.576 0.404 1 1 727 . 8 1 1 A 81 81 CYS CA C 81 57.821 57.075 0.746 1 1 728 . 8 1 1 A 81 81 CYS CB C 81 30.043 30.559 -0.516 1 1 729 . 8 1 1 A 81 81 CYS N N 81 123.745 127.037 -3.292 1 1 730 . 8 1 1 A 82 82 PHE H H 82 8.873 8.495 0.378 1 1 731 . 8 1 1 A 82 82 PHE HA H 82 4.532 5.382 -0.850 1 1 735 . 8 1 1 A 82 82 PHE C C 82 171.090 172.406 -1.316 1 1 736 . 8 1 1 A 82 82 PHE CA C 82 56.367 55.604 0.763 1 1 737 . 8 1 1 A 82 82 PHE CB C 82 40.091 41.915 -1.824 1 1 738 . 8 1 1 A 82 82 PHE N N 82 117.718 121.915 -4.197 1 1 739 . 8 1 1 A 83 83 SER H H 83 8.038 8.892 -0.854 1 1 740 . 8 1 1 A 83 83 SER HA H 83 5.204 4.985 0.219 1 1 743 . 8 1 1 A 83 83 SER C C 83 178.547 174.771 3.776 1 1 744 . 8 1 1 A 83 83 SER CA C 83 55.000 57.417 -2.417 1 1 745 . 8 1 1 A 83 83 SER CB C 83 63.051 65.179 -2.128 1 1 746 . 8 1 1 A 83 83 SER N N 83 113.246 116.504 -3.258 1 1 747 . 8 1 1 A 84 84 VAL H H 84 8.609 8.505 0.104 1 1 748 . 8 1 1 A 84 84 VAL HA H 84 4.261 4.498 -0.237 1 1 756 . 8 1 1 A 84 84 VAL C C 84 175.783 176.867 -1.084 1 1 757 . 8 1 1 A 84 84 VAL CA C 84 63.745 62.113 1.632 1 1 758 . 8 1 1 A 84 84 VAL CB C 84 29.811 32.405 -2.594 1 1 760 . 8 1 1 A 84 84 VAL N N 84 120.609 125.854 -5.245 1 1 761 . 8 1 1 A 85 85 VAL H H 85 7.653 7.766 -0.113 1 1 762 . 8 1 1 A 85 85 VAL HA H 85 4.508 4.069 0.439 1 1 767 . 8 1 1 A 85 85 VAL C C 85 173.401 176.190 -2.789 1 1 768 . 8 1 1 A 85 85 VAL CA C 85 59.998 64.097 -4.099 1 1 769 . 8 1 1 A 85 85 VAL CB C 85 29.718 32.153 -2.435 1 1 772 . 8 1 1 A 85 85 VAL N N 85 107.920 121.435 -13.515 1 1 773 . 8 1 1 A 86 86 SER H H 86 7.792 8.049 -0.257 1 1 774 . 8 1 1 A 86 86 SER HA H 86 5.200 4.984 0.216 1 1 777 . 8 1 1 A 86 86 SER CA C 86 53.848 55.468 -1.620 1 1 778 . 8 1 1 A 86 86 SER CB C 86 62.720 65.396 -2.676 1 1 779 . 8 1 1 A 86 86 SER N N 86 112.608 116.217 -3.609 1 1 780 . 8 1 1 A 87 87 PRO C C 87 178.275 177.393 0.882 1 1 781 . 8 1 1 A 87 87 PRO CA C 87 65.655 64.682 0.973 1 1 782 . 8 1 1 A 87 87 PRO CB C 87 31.961 32.048 -0.087 1 1 783 . 8 1 1 A 88 88 SER H H 88 8.928 8.339 0.589 1 1 784 . 8 1 1 A 88 88 SER HA H 88 4.783 4.251 0.532 1 1 787 . 8 1 1 A 88 88 SER C C 88 176.192 177.307 -1.115 1 1 788 . 8 1 1 A 88 88 SER CA C 88 61.630 61.276 0.354 1 1 789 . 8 1 1 A 88 88 SER CB C 88 71.811 63.086 8.725 1 1 790 . 8 1 1 A 88 88 SER N N 88 113.475 112.797 0.678 1 1 791 . 8 1 1 A 89 89 SER H H 89 8.022 8.176 -0.154 1 1 792 . 8 1 1 A 89 89 SER HA H 89 5.047 4.286 0.761 1 1 795 . 8 1 1 A 89 89 SER C C 89 176.417 176.416 0.001 1 1 796 . 8 1 1 A 89 89 SER CA C 89 61.352 61.302 0.050 1 1 797 . 8 1 1 A 89 89 SER CB C 89 63.930 63.227 0.703 1 1 798 . 8 1 1 A 89 89 SER N N 89 120.789 116.980 3.809 1 1 799 . 8 1 1 A 90 90 PHE H H 90 7.454 7.977 -0.523 1 1 800 . 8 1 1 A 90 90 PHE HA H 90 3.967 4.011 -0.044 1 1 804 . 8 1 1 A 90 90 PHE C C 90 177.387 177.338 0.049 1 1 805 . 8 1 1 A 90 90 PHE CA C 90 59.945 61.083 -1.138 1 1 806 . 8 1 1 A 90 90 PHE CB C 90 39.365 39.162 0.203 1 1 807 . 8 1 1 A 90 90 PHE N N 90 124.950 122.583 2.367 1 1 808 . 8 1 1 A 91 91 GLU H H 91 8.245 8.494 -0.249 1 1 809 . 8 1 1 A 91 91 GLU HA H 91 3.921 3.977 -0.056 1 1 811 . 8 1 1 A 91 91 GLU C C 91 179.695 178.876 0.819 1 1 812 . 8 1 1 A 91 91 GLU CA C 91 59.102 59.610 -0.508 1 1 813 . 8 1 1 A 91 91 GLU CB C 91 28.437 29.563 -1.126 1 1 815 . 8 1 1 A 91 91 GLU N N 91 119.953 119.540 0.413 1 1 816 . 8 1 1 A 92 92 ASN H H 92 8.106 8.478 -0.372 1 1 817 . 8 1 1 A 92 92 ASN HA H 92 4.760 4.417 0.343 1 1 821 . 8 1 1 A 92 92 ASN C C 92 178.593 177.985 0.608 1 1 822 . 8 1 1 A 92 92 ASN CA C 92 54.635 56.689 -2.054 1 1 823 . 8 1 1 A 92 92 ASN CB C 92 37.879 40.036 -2.157 1 1 824 . 8 1 1 A 92 92 ASN N N 92 114.315 118.616 -4.301 1 1 826 . 8 1 1 A 93 93 VAL H H 93 7.883 7.755 0.128 1 1 827 . 8 1 1 A 93 93 VAL HA H 93 3.738 3.690 0.048 1 1 835 . 8 1 1 A 93 93 VAL C C 93 174.932 177.913 -2.981 1 1 836 . 8 1 1 A 93 93 VAL CA C 93 68.395 67.034 1.361 1 1 837 . 8 1 1 A 93 93 VAL CB C 93 30.596 31.207 -0.611 1 1 839 . 8 1 1 A 93 93 VAL N N 93 124.067 119.857 4.210 1 1 840 . 8 1 1 A 94 94 LYS H H 94 6.590 7.877 -1.287 1 1 841 . 8 1 1 A 94 94 LYS HA H 94 3.902 3.969 -0.067 1 1 846 . 8 1 1 A 94 94 LYS C C 94 176.885 179.499 -2.614 1 1 847 . 8 1 1 A 94 94 LYS CA C 94 58.135 58.987 -0.852 1 1 848 . 8 1 1 A 94 94 LYS CB C 94 33.163 31.901 1.262 1 1 851 . 8 1 1 A 94 94 LYS N N 94 115.269 119.552 -4.283 1 1 852 . 8 1 1 A 95 95 GLU H H 95 7.719 7.845 -0.126 1 1 853 . 8 1 1 A 95 95 GLU HA H 95 4.089 4.125 -0.036 1 1 857 . 8 1 1 A 95 95 GLU C C 95 176.252 177.338 -1.086 1 1 858 . 8 1 1 A 95 95 GLU CA C 95 57.564 58.603 -1.039 1 1 859 . 8 1 1 A 95 95 GLU CB C 95 30.353 29.868 0.485 1 1 861 . 8 1 1 A 95 95 GLU N N 95 112.466 118.189 -5.723 1 1 862 . 8 1 1 A 96 96 LYS H H 96 8.063 7.658 0.405 1 1 863 . 8 1 1 A 96 96 LYS HA H 96 4.250 4.241 0.009 1 1 867 . 8 1 1 A 96 96 LYS C C 96 177.781 177.934 -0.153 1 1 868 . 8 1 1 A 96 96 LYS CA C 96 57.343 57.568 -0.225 1 1 869 . 8 1 1 A 96 96 LYS CB C 96 35.190 33.555 1.635 1 1 873 . 8 1 1 A 96 96 LYS N N 96 115.613 118.792 -3.179 1 1 874 . 8 1 1 A 97 97 TRP H H 97 7.786 7.959 -0.173 1 1 875 . 8 1 1 A 97 97 TRP HA H 97 4.390 4.551 -0.161 1 1 879 . 8 1 1 A 97 97 TRP C C 97 178.500 177.115 1.385 1 1 880 . 8 1 1 A 97 97 TRP CA C 97 60.831 58.131 2.700 1 1 881 . 8 1 1 A 97 97 TRP CB C 97 30.818 28.533 2.285 1 1 882 . 8 1 1 A 97 97 TRP N N 97 119.643 119.148 0.495 1 1 884 . 8 1 1 A 98 98 VAL H H 98 8.604 7.525 1.079 1 1 885 . 8 1 1 A 98 98 VAL HA H 98 3.542 3.916 -0.374 1 1 890 . 8 1 1 A 98 98 VAL CA C 98 68.434 65.431 3.003 1 1 891 . 8 1 1 A 98 98 VAL CB C 98 28.357 32.442 -4.085 1 1 892 . 8 1 1 A 98 98 VAL N N 98 116.894 119.064 -2.170 1 1 893 . 8 1 1 A 99 99 PRO HA H 99 3.932 4.249 -0.317 1 1 895 . 8 1 1 A 99 99 PRO C C 99 177.438 179.309 -1.871 1 1 896 . 8 1 1 A 99 99 PRO CA C 99 66.615 66.087 0.528 1 1 897 . 8 1 1 A 99 99 PRO CB C 99 30.600 30.700 -0.100 1 1 899 . 8 1 1 A 100 100 GLU H H 100 7.538 8.516 -0.978 1 1 900 . 8 1 1 A 100 100 GLU HA H 100 4.219 4.187 0.032 1 1 902 . 8 1 1 A 100 100 GLU C C 100 178.891 179.411 -0.520 1 1 903 . 8 1 1 A 100 100 GLU CA C 100 60.795 59.507 1.288 1 1 904 . 8 1 1 A 100 100 GLU CB C 100 29.919 28.989 0.930 1 1 906 . 8 1 1 A 100 100 GLU N N 100 116.622 117.662 -1.040 1 1 907 . 8 1 1 A 101 101 ILE H H 101 8.331 7.724 0.607 1 1 908 . 8 1 1 A 101 101 ILE HA H 101 3.598 4.029 -0.431 1 1 909 . 8 1 1 A 101 101 ILE C C 101 177.812 177.889 -0.077 1 1 910 . 8 1 1 A 101 101 ILE CA C 101 66.106 62.841 3.265 1 1 911 . 8 1 1 A 101 101 ILE CB C 101 35.806 37.741 -1.935 1 1 913 . 8 1 1 A 101 101 ILE N N 101 113.806 120.394 -6.588 1 1 914 . 8 1 1 A 102 102 THR H H 102 7.881 7.956 -0.075 1 1 915 . 8 1 1 A 102 102 THR HA H 102 3.849 3.943 -0.094 1 1 917 . 8 1 1 A 102 102 THR C C 102 175.953 176.715 -0.762 1 1 918 . 8 1 1 A 102 102 THR CA C 102 64.979 66.840 -1.861 1 1 919 . 8 1 1 A 102 102 THR CB C 102 69.609 68.229 1.380 1 1 920 . 8 1 1 A 102 102 THR N N 102 112.542 118.085 -5.543 1 1 921 . 8 1 1 A 103 103 HIS H H 103 7.598 7.669 -0.071 1 1 922 . 8 1 1 A 103 103 HIS HA H 103 4.217 4.248 -0.031 1 1 924 . 8 1 1 A 103 103 HIS C C 103 176.414 178.026 -1.612 1 1 925 . 8 1 1 A 103 103 HIS CA C 103 58.531 59.812 -1.281 1 1 926 . 8 1 1 A 103 103 HIS CB C 103 28.397 29.756 -1.359 1 1 927 . 8 1 1 A 103 103 HIS N N 103 118.843 119.720 -0.877 1 1 928 . 8 1 1 A 104 104 HIS H H 104 7.405 7.455 -0.050 1 1 929 . 8 1 1 A 104 104 HIS HA H 104 4.164 4.227 -0.063 1 1 932 . 8 1 1 A 104 104 HIS C C 104 176.660 174.817 1.843 1 1 933 . 8 1 1 A 104 104 HIS CA C 104 59.641 59.680 -0.039 1 1 934 . 8 1 1 A 104 104 HIS CB C 104 33.363 30.595 2.768 1 1 935 . 8 1 1 A 104 104 HIS N N 104 113.791 118.778 -4.987 1 1 936 . 8 1 1 A 105 105 CYS H H 105 8.530 7.525 1.005 1 1 937 . 8 1 1 A 105 105 CYS HA H 105 5.015 4.694 0.321 1 1 940 . 8 1 1 A 105 105 CYS CA C 105 56.219 58.261 -2.042 1 1 941 . 8 1 1 A 105 105 CYS N N 105 117.178 115.542 1.636 1 1 942 . 8 1 1 A 106 106 PRO HA H 106 4.477 4.554 -0.077 1 1 945 . 8 1 1 A 106 106 PRO C C 106 177.961 176.635 1.326 1 1 946 . 8 1 1 A 106 106 PRO CA C 106 64.735 62.529 2.206 1 1 947 . 8 1 1 A 106 106 PRO CB C 106 31.961 32.849 -0.888 1 1 949 . 8 1 1 A 107 107 LYS H H 107 8.769 8.385 0.384 1 1 950 . 8 1 1 A 107 107 LYS HA H 107 4.771 4.591 0.180 1 1 955 . 8 1 1 A 107 107 LYS CA C 107 55.895 56.618 -0.723 1 1 956 . 8 1 1 A 107 107 LYS CB C 107 31.160 33.446 -2.286 1 1 957 . 8 1 1 A 107 107 LYS N N 107 116.131 122.163 -6.032 1 1 958 . 8 1 1 A 108 108 THR H H 108 7.586 8.658 -1.072 1 1 959 . 8 1 1 A 108 108 THR N N 108 121.415 115.096 6.319 1 1 960 . 8 1 1 A 109 109 PRO HA H 109 4.529 4.341 0.188 1 1 963 . 8 1 1 A 109 109 PRO C C 109 174.846 175.592 -0.746 1 1 964 . 8 1 1 A 109 109 PRO CA C 109 62.495 63.278 -0.783 1 1 965 . 8 1 1 A 109 109 PRO CB C 109 33.563 31.975 1.588 1 1 968 . 8 1 1 A 110 110 PHE H H 110 8.165 8.724 -0.559 1 1 969 . 8 1 1 A 110 110 PHE HA H 110 5.929 5.127 0.802 1 1 971 . 8 1 1 A 110 110 PHE C C 110 172.666 174.764 -2.098 1 1 972 . 8 1 1 A 110 110 PHE CA C 110 54.448 56.278 -1.830 1 1 973 . 8 1 1 A 110 110 PHE CB C 110 43.554 43.186 0.368 1 1 974 . 8 1 1 A 110 110 PHE N N 110 112.128 124.651 -12.523 1 1 975 . 8 1 1 A 111 111 LEU H H 111 8.633 8.817 -0.184 1 1 976 . 8 1 1 A 111 111 LEU HA H 111 4.694 5.139 -0.445 1 1 979 . 8 1 1 A 111 111 LEU C C 111 175.472 175.720 -0.248 1 1 980 . 8 1 1 A 111 111 LEU CA C 111 54.212 53.471 0.741 1 1 981 . 8 1 1 A 111 111 LEU CB C 111 43.831 43.242 0.589 1 1 984 . 8 1 1 A 111 111 LEU N N 111 119.654 122.496 -2.842 1 1 985 . 8 1 1 A 112 112 LEU H H 112 8.061 9.153 -1.092 1 1 986 . 8 1 1 A 112 112 LEU HA H 112 5.363 5.193 0.170 1 1 992 . 8 1 1 A 112 112 LEU C C 112 173.631 176.163 -2.532 1 1 993 . 8 1 1 A 112 112 LEU CA C 112 53.826 53.673 0.153 1 1 994 . 8 1 1 A 112 112 LEU CB C 112 44.182 42.489 1.693 1 1 996 . 8 1 1 A 112 112 LEU N N 112 121.946 125.795 -3.849 1 1 997 . 8 1 1 A 113 113 VAL H H 113 9.178 8.770 0.408 1 1 998 . 8 1 1 A 113 113 VAL HA H 113 4.878 5.072 -0.194 1 1 1006 . 8 1 1 A 113 113 VAL C C 113 174.300 175.065 -0.765 1 1 1007 . 8 1 1 A 113 113 VAL CA C 113 59.695 60.625 -0.930 1 1 1008 . 8 1 1 A 113 113 VAL CB C 113 33.323 34.434 -1.111 1 1 1011 . 8 1 1 A 113 113 VAL N N 113 125.807 125.945 -0.138 1 1 1012 . 8 1 1 A 114 114 GLY H H 114 8.731 9.373 -0.642 1 1 1013 . 8 1 1 A 114 114 GLY HA2 H 114 3.688 3.632 0.056 1 1 1014 . 8 1 1 A 114 114 GLY HA3 H 114 3.270 4.109 -0.839 1 1 1015 . 8 1 1 A 114 114 GLY C C 114 173.360 172.577 0.783 1 1 1016 . 8 1 1 A 114 114 GLY CA C 114 44.195 44.406 -0.211 1 1 1017 . 8 1 1 A 114 114 GLY N N 114 115.079 115.308 -0.229 1 1 1018 . 8 1 1 A 115 115 THR H H 115 9.181 7.856 1.325 1 1 1019 . 8 1 1 A 115 115 THR HA H 115 4.969 5.041 -0.072 1 1 1024 . 8 1 1 A 115 115 THR C C 115 175.355 173.890 1.465 1 1 1025 . 8 1 1 A 115 115 THR CA C 115 59.375 59.929 -0.554 1 1 1026 . 8 1 1 A 115 115 THR CB C 115 70.530 71.400 -0.870 1 1 1028 . 8 1 1 A 115 115 THR N N 115 115.613 114.655 0.958 1 1 1029 . 8 1 1 A 116 116 GLN H H 116 9.380 8.814 0.566 1 1 1030 . 8 1 1 A 116 116 GLN HA H 116 3.983 3.984 -0.001 1 1 1033 . 8 1 1 A 116 116 GLN C C 116 179.110 175.308 3.802 1 1 1034 . 8 1 1 A 116 116 GLN CA C 116 56.195 57.130 -0.935 1 1 1035 . 8 1 1 A 116 116 GLN CB C 116 23.911 28.332 -4.421 1 1 1037 . 8 1 1 A 116 116 GLN N N 116 108.468 120.189 -11.721 1 1 1038 . 8 1 1 A 117 117 ILE H H 117 7.635 7.681 -0.046 1 1 1039 . 8 1 1 A 117 117 ILE HA H 117 3.814 4.242 -0.428 1 1 1042 . 8 1 1 A 117 117 ILE C C 117 178.002 175.670 2.332 1 1 1043 . 8 1 1 A 117 117 ILE CA C 117 64.828 60.126 4.702 1 1 1044 . 8 1 1 A 117 117 ILE CB C 117 36.327 38.739 -2.412 1 1 1047 . 8 1 1 A 118 118 ASP H H 118 8.732 9.047 -0.315 1 1 1048 . 8 1 1 A 118 118 ASP HA H 118 4.468 4.470 -0.002 1 1 1051 . 8 1 1 A 118 118 ASP C C 118 176.888 177.005 -0.117 1 1 1052 . 8 1 1 A 118 118 ASP CA C 118 55.527 56.483 -0.956 1 1 1053 . 8 1 1 A 118 118 ASP CB C 118 40.482 40.434 0.048 1 1 1054 . 8 1 1 A 118 118 ASP N N 118 119.049 121.810 -2.761 1 1 1055 . 8 1 1 A 119 119 LEU H H 119 7.914 9.716 -1.802 1 1 1056 . 8 1 1 A 119 119 LEU HA H 119 4.332 4.115 0.217 1 1 1066 . 8 1 1 A 119 119 LEU C C 119 178.015 178.532 -0.517 1 1 1067 . 8 1 1 A 119 119 LEU CA C 119 55.388 57.573 -2.185 1 1 1068 . 8 1 1 A 119 119 LEU CB C 119 41.573 41.875 -0.302 1 1 1071 . 8 1 1 A 119 119 LEU N N 119 117.783 120.433 -2.650 1 1 1072 . 8 1 1 A 120 120 ARG H H 120 7.256 8.876 -1.620 1 1 1073 . 8 1 1 A 120 120 ARG HA H 120 3.561 4.139 -0.578 1 1 1076 . 8 1 1 A 120 120 ARG C C 120 174.671 177.468 -2.797 1 1 1077 . 8 1 1 A 120 120 ARG CA C 120 60.041 58.049 1.992 1 1 1078 . 8 1 1 A 120 120 ARG CB C 120 30.079 29.140 0.939 1 1 1081 . 8 1 1 A 120 120 ARG N N 120 116.747 117.745 -0.998 1 1 1082 . 8 1 1 A 121 121 ASP H H 121 7.078 8.266 -1.188 1 1 1083 . 8 1 1 A 121 121 ASP HA H 121 4.802 4.667 0.135 1 1 1086 . 8 1 1 A 121 121 ASP C C 121 175.364 175.911 -0.547 1 1 1087 . 8 1 1 A 121 121 ASP CA C 121 52.775 55.535 -2.760 1 1 1088 . 8 1 1 A 121 121 ASP CB C 121 41.372 41.744 -0.372 1 1 1089 . 8 1 1 A 121 121 ASP N N 121 111.544 119.579 -8.035 1 1 1090 . 8 1 1 A 122 122 ASP H H 122 7.246 7.442 -0.196 1 1 1091 . 8 1 1 A 122 122 ASP HA H 122 4.983 4.755 0.228 1 1 1094 . 8 1 1 A 122 122 ASP CA C 122 51.575 52.735 -1.160 1 1 1095 . 8 1 1 A 122 122 ASP CB C 122 43.576 41.470 2.106 1 1 1096 . 8 1 1 A 122 122 ASP N N 122 122.169 119.988 2.181 1 1 1097 . 8 1 1 A 123 123 PRO HA H 123 4.132 4.403 -0.271 1 1 1100 . 8 1 1 A 123 123 PRO C C 123 178.982 178.545 0.437 1 1 1101 . 8 1 1 A 123 123 PRO CA C 123 65.824 64.638 1.186 1 1 1102 . 8 1 1 A 123 123 PRO CB C 123 32.041 32.129 -0.088 1 1 1104 . 8 1 1 A 124 124 SER H H 124 8.333 8.345 -0.012 1 1 1105 . 8 1 1 A 124 124 SER HA H 124 4.762 4.194 0.568 1 1 1108 . 8 1 1 A 124 124 SER C C 124 176.716 176.642 0.074 1 1 1109 . 8 1 1 A 124 124 SER CA C 124 62.073 61.659 0.414 1 1 1110 . 8 1 1 A 124 124 SER CB C 124 62.373 63.050 -0.677 1 1 1111 . 8 1 1 A 124 124 SER N N 124 112.482 114.371 -1.889 1 1 1112 . 8 1 1 A 125 125 THR H H 125 7.921 7.931 -0.010 1 1 1113 . 8 1 1 A 125 125 THR HA H 125 4.658 3.979 0.679 1 1 1118 . 8 1 1 A 125 125 THR C C 125 175.789 176.468 -0.679 1 1 1119 . 8 1 1 A 125 125 THR CA C 125 67.686 66.886 0.800 1 1 1121 . 8 1 1 A 125 125 THR N N 125 121.820 117.794 4.026 1 1 1122 . 8 1 1 A 126 126 ILE H H 126 8.234 7.705 0.529 1 1 1123 . 8 1 1 A 126 126 ILE HA H 126 3.550 3.720 -0.170 1 1 1126 . 8 1 1 A 126 126 ILE C C 126 179.057 178.454 0.603 1 1 1127 . 8 1 1 A 126 126 ILE CA C 126 65.032 65.316 -0.284 1 1 1128 . 8 1 1 A 126 126 ILE CB C 126 37.064 37.529 -0.465 1 1 1132 . 8 1 1 A 126 126 ILE N N 126 121.486 121.034 0.452 1 1 1133 . 8 1 1 A 127 127 GLU H H 127 8.240 8.494 -0.254 1 1 1134 . 8 1 1 A 127 127 GLU HA H 127 4.165 3.940 0.225 1 1 1136 . 8 1 1 A 127 127 GLU C C 127 177.025 179.056 -2.031 1 1 1137 . 8 1 1 A 127 127 GLU CA C 127 59.326 59.795 -0.469 1 1 1138 . 8 1 1 A 127 127 GLU CB C 127 29.330 28.948 0.382 1 1 1140 . 8 1 1 A 127 127 GLU N N 127 120.249 121.462 -1.213 1 1 1141 . 8 1 1 A 128 128 LYS H H 128 7.919 7.431 0.488 1 1 1142 . 8 1 1 A 128 128 LYS HA H 128 3.978 4.092 -0.114 1 1 1146 . 8 1 1 A 128 128 LYS C C 128 179.838 179.353 0.485 1 1 1147 . 8 1 1 A 128 128 LYS CA C 128 59.938 59.492 0.446 1 1 1148 . 8 1 1 A 128 128 LYS CB C 128 31.691 32.604 -0.913 1 1 1152 . 8 1 1 A 128 128 LYS N N 128 120.679 119.097 1.582 1 1 1153 . 8 1 1 A 129 129 LEU H H 129 8.142 7.974 0.168 1 1 1154 . 8 1 1 A 129 129 LEU HA H 129 4.128 4.162 -0.034 1 1 1160 . 8 1 1 A 129 129 LEU C C 129 179.701 178.915 0.786 1 1 1161 . 8 1 1 A 129 129 LEU CA C 129 57.904 57.466 0.438 1 1 1162 . 8 1 1 A 129 129 LEU CB C 129 41.674 41.013 0.661 1 1 1165 . 8 1 1 A 129 129 LEU N N 129 118.553 119.436 -0.883 1 1 1166 . 8 1 1 A 130 130 ALA H H 130 8.493 8.979 -0.486 1 1 1167 . 8 1 1 A 130 130 ALA HA H 130 4.286 3.953 0.333 1 1 1171 . 8 1 1 A 130 130 ALA C C 130 182.027 179.939 2.088 1 1 1172 . 8 1 1 A 130 130 ALA CA C 130 55.358 55.495 -0.137 1 1 1173 . 8 1 1 A 130 130 ALA CB C 130 17.069 18.287 -1.218 1 1 1174 . 8 1 1 A 130 130 ALA N N 130 122.578 121.703 0.875 1 1 1175 . 8 1 1 A 131 131 LYS H H 131 8.065 7.897 0.168 1 1 1176 . 8 1 1 A 131 131 LYS HA H 131 4.124 4.048 0.076 1 1 1180 . 8 1 1 A 131 131 LYS C C 131 177.085 178.368 -1.283 1 1 1181 . 8 1 1 A 131 131 LYS CA C 131 59.093 59.337 -0.244 1 1 1182 . 8 1 1 A 131 131 LYS CB C 131 31.782 32.287 -0.505 1 1 1186 . 8 1 1 A 131 131 LYS N N 131 120.347 117.873 2.474 1 1 1187 . 8 1 1 A 132 132 ASN H H 132 7.414 7.846 -0.432 1 1 1188 . 8 1 1 A 132 132 ASN HA H 132 4.983 4.819 0.164 1 1 1193 . 8 1 1 A 132 132 ASN C C 132 173.584 174.137 -0.553 1 1 1194 . 8 1 1 A 132 132 ASN CA C 132 52.195 52.828 -0.633 1 1 1195 . 8 1 1 A 132 132 ASN CB C 132 39.210 38.640 0.570 1 1 1196 . 8 1 1 A 132 132 ASN N N 132 115.667 115.093 0.574 1 1 1198 . 8 1 1 A 133 133 LYS H H 133 8.105 8.040 0.065 1 1 1199 . 8 1 1 A 133 133 LYS HA H 133 3.956 3.923 0.033 1 1 1204 . 8 1 1 A 133 133 LYS C C 133 175.311 176.086 -0.775 1 1 1205 . 8 1 1 A 133 133 LYS CA C 133 57.317 57.203 0.114 1 1 1206 . 8 1 1 A 133 133 LYS CB C 133 28.397 29.117 -0.720 1 1 1210 . 8 1 1 A 133 133 LYS N N 133 113.900 115.112 -1.212 1 1 1211 . 8 1 1 A 134 134 GLN H H 134 8.107 8.314 -0.207 1 1 1212 . 8 1 1 A 134 134 GLN HA H 134 4.777 4.343 0.434 1 1 1218 . 8 1 1 A 134 134 GLN C C 134 174.870 176.445 -1.575 1 1 1219 . 8 1 1 A 134 134 GLN CA C 134 53.890 57.422 -3.532 1 1 1220 . 8 1 1 A 134 134 GLN CB C 134 33.095 29.926 3.169 1 1 1222 . 8 1 1 A 134 134 GLN N N 134 116.006 117.210 -1.204 1 1 1224 . 8 1 1 A 135 135 LYS H H 135 7.974 7.914 0.060 1 1 1225 . 8 1 1 A 135 135 LYS CA C 135 54.077 57.540 -3.463 1 1 1226 . 8 1 1 A 135 135 LYS CB C 135 33.433 31.691 1.742 1 1 1227 . 8 1 1 A 135 135 LYS N N 135 118.646 117.497 1.149 1 1 1228 . 8 1 1 A 136 136 PRO HA H 136 4.378 4.457 -0.079 1 1 1232 . 8 1 1 A 136 136 PRO C C 136 174.976 176.410 -1.434 1 1 1233 . 8 1 1 A 136 136 PRO CA C 136 62.255 62.734 -0.479 1 1 1234 . 8 1 1 A 136 136 PRO CB C 136 32.147 31.912 0.235 1 1 1237 . 8 1 1 A 137 137 ILE H H 137 9.147 8.348 0.799 1 1 1238 . 8 1 1 A 137 137 ILE HA H 137 3.918 4.301 -0.383 1 1 1245 . 8 1 1 A 137 137 ILE C C 137 176.126 175.937 0.189 1 1 1246 . 8 1 1 A 137 137 ILE CA C 137 59.969 60.658 -0.689 1 1 1247 . 8 1 1 A 137 137 ILE CB C 137 36.848 38.684 -1.836 1 1 1248 . 8 1 1 A 137 137 ILE N N 137 122.234 122.778 -0.544 1 1 1249 . 8 1 1 A 138 138 THR H H 138 7.993 8.611 -0.618 1 1 1250 . 8 1 1 A 138 138 THR HA H 138 4.765 4.900 -0.135 1 1 1255 . 8 1 1 A 138 138 THR CA C 138 59.171 59.651 -0.480 1 1 1256 . 8 1 1 A 138 138 THR CB C 138 68.488 69.123 -0.635 1 1 1257 . 8 1 1 A 138 138 THR N N 138 118.389 119.319 -0.930 1 1 1258 . 8 1 1 A 139 139 PRO HA H 139 4.071 4.363 -0.292 1 1 1261 . 8 1 1 A 139 139 PRO C C 139 177.838 177.931 -0.093 1 1 1262 . 8 1 1 A 139 139 PRO CA C 139 65.575 65.152 0.423 1 1 1263 . 8 1 1 A 139 139 PRO CB C 139 31.401 32.043 -0.642 1 1 1265 . 8 1 1 A 140 140 GLU H H 140 8.569 8.133 0.436 1 1 1266 . 8 1 1 A 140 140 GLU HA H 140 3.000 4.051 -1.051 1 1 1270 . 8 1 1 A 140 140 GLU C C 140 179.357 179.121 0.236 1 1 1271 . 8 1 1 A 140 140 GLU CA C 140 60.137 59.597 0.540 1 1 1272 . 8 1 1 A 140 140 GLU CB C 140 28.357 29.177 -0.820 1 1 1273 . 8 1 1 A 140 140 GLU N N 140 114.648 118.058 -3.410 1 1 1274 . 8 1 1 A 141 141 THR H H 141 7.579 7.682 -0.103 1 1 1275 . 8 1 1 A 141 141 THR HA H 141 3.811 3.865 -0.054 1 1 1280 . 8 1 1 A 141 141 THR C C 141 176.395 176.381 0.014 1 1 1281 . 8 1 1 A 141 141 THR CA C 141 66.113 66.393 -0.280 1 1 1282 . 8 1 1 A 141 141 THR CB C 141 68.569 68.421 0.148 1 1 1284 . 8 1 1 A 141 141 THR N N 141 118.215 116.955 1.260 1 1 1285 . 8 1 1 A 142 142 ALA H H 142 7.562 7.720 -0.158 1 1 1286 . 8 1 1 A 142 142 ALA HA H 142 3.866 4.257 -0.391 1 1 1290 . 8 1 1 A 142 142 ALA C C 142 178.302 179.757 -1.455 1 1 1291 . 8 1 1 A 142 142 ALA CA C 142 55.332 55.266 0.066 1 1 1292 . 8 1 1 A 142 142 ALA CB C 142 16.606 18.314 -1.708 1 1 1293 . 8 1 1 A 142 142 ALA N N 142 125.491 123.525 1.966 1 1 1294 . 8 1 1 A 143 143 GLU H H 143 8.787 8.441 0.346 1 1 1295 . 8 1 1 A 143 143 GLU HA H 143 3.742 3.815 -0.073 1 1 1298 . 8 1 1 A 143 143 GLU C C 143 179.077 178.570 0.507 1 1 1299 . 8 1 1 A 143 143 GLU CA C 143 59.590 58.958 0.632 1 1 1300 . 8 1 1 A 143 143 GLU CB C 143 28.998 29.067 -0.069 1 1 1302 . 8 1 1 A 143 143 GLU N N 143 117.991 118.896 -0.905 1 1 1303 . 8 1 1 A 144 144 LYS H H 144 7.313 7.488 -0.175 1 1 1304 . 8 1 1 A 144 144 LYS HA H 144 3.950 4.171 -0.221 1 1 1307 . 8 1 1 A 144 144 LYS C C 144 177.781 178.782 -1.001 1 1 1308 . 8 1 1 A 144 144 LYS CA C 144 59.370 58.983 0.387 1 1 1309 . 8 1 1 A 144 144 LYS CB C 144 31.718 32.184 -0.466 1 1 1313 . 8 1 1 A 144 144 LYS N N 144 118.815 119.960 -1.145 1 1 1314 . 8 1 1 A 145 145 LEU H H 145 7.326 7.935 -0.609 1 1 1315 . 8 1 1 A 145 145 LEU HA H 145 4.153 3.996 0.157 1 1 1324 . 8 1 1 A 145 145 LEU C C 145 178.162 178.324 -0.162 1 1 1325 . 8 1 1 A 145 145 LEU CA C 145 57.834 57.801 0.033 1 1 1326 . 8 1 1 A 145 145 LEU CB C 145 40.432 41.247 -0.815 1 1 1329 . 8 1 1 A 145 145 LEU N N 145 119.589 121.323 -1.734 1 1 1330 . 8 1 1 A 146 146 ALA H H 146 8.482 7.425 1.057 1 1 1331 . 8 1 1 A 146 146 ALA HA H 146 3.705 4.181 -0.476 1 1 1335 . 8 1 1 A 146 146 ALA C C 146 178.574 179.769 -1.195 1 1 1336 . 8 1 1 A 146 146 ALA CA C 146 55.543 54.968 0.575 1 1 1337 . 8 1 1 A 146 146 ALA CB C 146 17.663 19.243 -1.580 1 1 1338 . 8 1 1 A 146 146 ALA N N 146 118.809 120.974 -2.165 1 1 1339 . 8 1 1 A 147 147 ARG H H 147 7.714 8.511 -0.797 1 1 1340 . 8 1 1 A 147 147 ARG HA H 147 4.175 4.132 0.043 1 1 1344 . 8 1 1 A 147 147 ARG C C 147 180.165 176.768 3.397 1 1 1345 . 8 1 1 A 147 147 ARG CA C 147 58.995 58.183 0.812 1 1 1346 . 8 1 1 A 147 147 ARG CB C 147 29.657 30.047 -0.390 1 1 1349 . 8 1 1 A 147 147 ARG N N 147 116.011 119.077 -3.066 1 1 1350 . 8 1 1 A 148 148 ASP H H 148 8.461 7.922 0.539 1 1 1351 . 8 1 1 A 148 148 ASP HA H 148 4.324 4.721 -0.397 1 1 1354 . 8 1 1 A 148 148 ASP C C 148 178.284 177.144 1.140 1 1 1355 . 8 1 1 A 148 148 ASP CA C 148 57.501 54.581 2.920 1 1 1356 . 8 1 1 A 148 148 ASP CB C 148 40.172 42.214 -2.042 1 1 1357 . 8 1 1 A 148 148 ASP N N 148 121.913 117.738 4.175 1 1 1358 . 8 1 1 A 149 149 LEU H H 149 8.364 7.858 0.506 1 1 1359 . 8 1 1 A 149 149 LEU HA H 149 4.365 4.410 -0.045 1 1 1368 . 8 1 1 A 149 149 LEU C C 149 174.985 175.900 -0.915 1 1 1369 . 8 1 1 A 149 149 LEU CA C 149 54.315 54.506 -0.191 1 1 1370 . 8 1 1 A 149 149 LEU CB C 149 41.373 41.810 -0.437 1 1 1373 . 8 1 1 A 149 149 LEU N N 149 115.324 116.796 -1.472 1 1 1374 . 8 1 1 A 150 150 LYS H H 150 7.624 7.980 -0.356 1 1 1375 . 8 1 1 A 150 150 LYS HA H 150 3.783 3.887 -0.104 1 1 1379 . 8 1 1 A 150 150 LYS C C 150 177.003 175.650 1.353 1 1 1380 . 8 1 1 A 150 150 LYS CA C 150 57.457 57.443 0.014 1 1 1381 . 8 1 1 A 150 150 LYS CB C 150 27.730 29.393 -1.663 1 1 1385 . 8 1 1 A 150 150 LYS N N 150 111.768 115.566 -3.798 1 1 1386 . 8 1 1 A 151 151 ALA H H 151 8.248 7.441 0.807 1 1 1387 . 8 1 1 A 151 151 ALA HA H 151 2.979 4.355 -1.376 1 1 1391 . 8 1 1 A 151 151 ALA C C 151 177.944 177.733 0.211 1 1 1392 . 8 1 1 A 151 151 ALA CA C 151 51.231 52.449 -1.218 1 1 1393 . 8 1 1 A 151 151 ALA CB C 151 19.707 19.699 0.008 1 1 1394 . 8 1 1 A 151 151 ALA N N 151 119.649 120.256 -0.607 1 1 1395 . 8 1 1 A 152 152 VAL H H 152 8.684 8.456 0.228 1 1 1396 . 8 1 1 A 152 152 VAL HA H 152 3.478 3.867 -0.389 1 1 1404 . 8 1 1 A 152 152 VAL C C 152 176.367 176.313 0.054 1 1 1405 . 8 1 1 A 152 152 VAL CA C 152 66.127 64.950 1.177 1 1 1406 . 8 1 1 A 152 152 VAL CB C 152 32.285 31.791 0.494 1 1 1409 . 8 1 1 A 152 152 VAL N N 152 120.805 122.422 -1.617 1 1 1410 . 8 1 1 A 153 153 LYS H H 153 6.865 7.576 -0.711 1 1 1411 . 8 1 1 A 153 153 LYS HA H 153 4.344 4.730 -0.386 1 1 1416 . 8 1 1 A 153 153 LYS C C 153 172.951 173.833 -0.882 1 1 1417 . 8 1 1 A 153 153 LYS CA C 153 55.049 55.319 -0.270 1 1 1418 . 8 1 1 A 153 153 LYS CB C 153 34.332 34.205 0.127 1 1 1422 . 8 1 1 A 153 153 LYS N N 153 108.179 113.634 -5.455 1 1 1423 . 8 1 1 A 154 154 TYR H H 154 8.606 8.776 -0.170 1 1 1424 . 8 1 1 A 154 154 TYR HA H 154 5.761 5.939 -0.178 1 1 1426 . 8 1 1 A 154 154 TYR C C 154 174.216 173.081 1.135 1 1 1427 . 8 1 1 A 154 154 TYR CA C 154 55.910 56.105 -0.195 1 1 1428 . 8 1 1 A 154 154 TYR CB C 154 40.457 42.791 -2.334 1 1 1429 . 8 1 1 A 154 154 TYR N N 154 120.249 117.495 2.754 1 1 1430 . 8 1 1 A 155 155 VAL H H 155 8.271 8.737 -0.466 1 1 1431 . 8 1 1 A 155 155 VAL HA H 155 4.138 4.757 -0.619 1 1 1439 . 8 1 1 A 155 155 VAL C C 155 171.653 173.844 -2.191 1 1 1440 . 8 1 1 A 155 155 VAL CA C 155 58.344 59.651 -1.307 1 1 1441 . 8 1 1 A 155 155 VAL CB C 155 34.645 35.986 -1.341 1 1 1444 . 8 1 1 A 155 155 VAL N N 155 121.448 116.957 4.491 1 1 1445 . 8 1 1 A 156 156 GLU H H 156 8.030 8.608 -0.578 1 1 1446 . 8 1 1 A 156 156 GLU HA H 156 5.393 5.121 0.272 1 1 1449 . 8 1 1 A 156 156 GLU C C 156 175.890 175.799 0.091 1 1 1450 . 8 1 1 A 156 156 GLU CA C 156 53.775 54.998 -1.223 1 1 1451 . 8 1 1 A 156 156 GLU CB C 156 31.521 32.414 -0.893 1 1 1453 . 8 1 1 A 156 156 GLU N N 156 113.147 121.934 -8.787 1 1 1454 . 8 1 1 A 157 157 CYS H H 157 8.838 9.501 -0.663 1 1 1455 . 8 1 1 A 157 157 CYS HA H 157 5.324 5.233 0.091 1 1 1458 . 8 1 1 A 157 157 CYS C C 157 171.554 172.276 -0.722 1 1 1459 . 8 1 1 A 157 157 CYS CA C 157 55.749 56.793 -1.044 1 1 1460 . 8 1 1 A 157 157 CYS CB C 157 32.041 31.332 0.709 1 1 1461 . 8 1 1 A 157 157 CYS N N 157 111.910 120.542 -8.632 1 1 1462 . 8 1 1 A 158 158 SER H H 158 8.277 8.795 -0.518 1 1 1463 . 8 1 1 A 158 158 SER HA H 158 5.211 4.800 0.411 1 1 1466 . 8 1 1 A 158 158 SER C C 158 176.246 175.013 1.233 1 1 1467 . 8 1 1 A 158 158 SER CA C 158 55.892 56.275 -0.383 1 1 1468 . 8 1 1 A 158 158 SER CB C 158 65.035 64.463 0.572 1 1 1469 . 8 1 1 A 158 158 SER N N 158 110.284 117.569 -7.285 1 1 1470 . 8 1 1 A 159 159 ALA H H 159 9.297 8.885 0.412 1 1 1471 . 8 1 1 A 159 159 ALA HA H 159 4.210 3.744 0.466 1 1 1475 . 8 1 1 A 159 159 ALA C C 159 177.030 179.083 -2.053 1 1 1476 . 8 1 1 A 159 159 ALA CA C 159 54.522 54.691 -0.169 1 1 1477 . 8 1 1 A 159 159 ALA CB C 159 18.828 18.135 0.693 1 1 1478 . 8 1 1 A 159 159 ALA N N 159 132.318 130.636 1.682 1 1 1479 . 8 1 1 A 160 160 LEU H H 160 7.361 7.530 -0.169 1 1 1480 . 8 1 1 A 160 160 LEU HA H 160 3.307 3.882 -0.575 1 1 1485 . 8 1 1 A 160 160 LEU C C 160 177.619 176.716 0.903 1 1 1486 . 8 1 1 A 160 160 LEU CA C 160 57.497 57.032 0.465 1 1 1487 . 8 1 1 A 160 160 LEU CB C 160 43.255 42.043 1.212 1 1 1490 . 8 1 1 A 160 160 LEU N N 160 118.308 117.694 0.614 1 1 1491 . 8 1 1 A 161 161 THR H H 161 8.109 7.398 0.711 1 1 1492 . 8 1 1 A 161 161 THR HA H 161 4.218 4.677 -0.459 1 1 1497 . 8 1 1 A 161 161 THR C C 161 176.064 174.236 1.828 1 1 1498 . 8 1 1 A 161 161 THR CA C 161 61.435 59.148 2.287 1 1 1499 . 8 1 1 A 161 161 THR CB C 161 69.809 71.778 -1.969 1 1 1501 . 8 1 1 A 161 161 THR N N 161 106.273 109.637 -3.364 1 1 1502 . 8 1 1 A 162 162 GLN H H 162 7.457 8.591 -1.134 1 1 1503 . 8 1 1 A 162 162 GLN HA H 162 3.923 4.328 -0.405 1 1 1509 . 8 1 1 A 162 162 GLN C C 162 174.988 176.714 -1.726 1 1 1510 . 8 1 1 A 162 162 GLN CA C 162 59.015 57.354 1.661 1 1 1511 . 8 1 1 A 162 162 GLN CB C 162 25.425 28.341 -2.916 1 1 1513 . 8 1 1 A 162 162 GLN N N 162 112.744 118.596 -5.852 1 1 1515 . 8 1 1 A 163 163 LYS H H 163 7.831 7.541 0.290 1 1 1516 . 8 1 1 A 163 163 LYS HA H 163 4.163 4.316 -0.153 1 1 1519 . 8 1 1 A 163 163 LYS C C 163 177.322 178.138 -0.816 1 1 1520 . 8 1 1 A 163 163 LYS CA C 163 58.055 56.924 1.131 1 1 1521 . 8 1 1 A 163 163 LYS CB C 163 32.041 32.259 -0.218 1 1 1525 . 8 1 1 A 163 163 LYS N N 163 124.132 118.350 5.782 1 1 1526 . 8 1 1 A 164 164 GLY H H 164 9.133 7.863 1.270 1 1 1527 . 8 1 1 A 164 164 GLY HA2 H 164 4.293 3.683 0.610 1 1 1528 . 8 1 1 A 164 164 GLY HA3 H 164 3.860 3.714 0.146 1 1 1529 . 8 1 1 A 164 164 GLY C C 164 174.825 175.246 -0.421 1 1 1530 . 8 1 1 A 164 164 GLY CA C 164 46.375 46.940 -0.565 1 1 1531 . 8 1 1 A 164 164 GLY N N 164 114.473 108.786 5.687 1 1 1532 . 8 1 1 A 165 165 LEU H H 165 7.400 8.296 -0.896 1 1 1533 . 8 1 1 A 165 165 LEU HA H 165 3.792 4.128 -0.336 1 1 1538 . 8 1 1 A 165 165 LEU C C 165 176.722 179.325 -2.603 1 1 1539 . 8 1 1 A 165 165 LEU CA C 165 58.737 57.917 0.820 1 1 1540 . 8 1 1 A 165 165 LEU CB C 165 43.498 41.420 2.078 1 1 1543 . 8 1 1 A 165 165 LEU N N 165 121.187 122.001 -0.814 1 1 1544 . 8 1 1 A 166 166 LYS H H 166 8.580 8.142 0.438 1 1 1545 . 8 1 1 A 166 166 LYS HA H 166 4.151 3.951 0.200 1 1 1548 . 8 1 1 A 166 166 LYS C C 166 179.204 179.526 -0.322 1 1 1549 . 8 1 1 A 166 166 LYS CA C 166 60.208 60.026 0.182 1 1 1550 . 8 1 1 A 166 166 LYS CB C 166 31.801 32.081 -0.280 1 1 1554 . 8 1 1 A 166 166 LYS N N 166 116.769 117.993 -1.224 1 1 1555 . 8 1 1 A 167 167 ASN H H 167 8.125 7.906 0.219 1 1 1556 . 8 1 1 A 167 167 ASN HA H 167 4.349 4.639 -0.290 1 1 1559 . 8 1 1 A 167 167 ASN C C 167 175.612 177.442 -1.830 1 1 1560 . 8 1 1 A 167 167 ASN CA C 167 56.686 55.980 0.706 1 1 1561 . 8 1 1 A 167 167 ASN CB C 167 38.650 38.815 -0.165 1 1 1562 . 8 1 1 A 167 167 ASN N N 167 114.773 117.722 -2.949 1 1 1563 . 8 1 1 A 168 168 VAL H H 168 7.365 7.903 -0.538 1 1 1564 . 8 1 1 A 168 168 VAL HA H 168 2.910 3.819 -0.909 1 1 1569 . 8 1 1 A 168 168 VAL C C 168 175.770 178.309 -2.539 1 1 1570 . 8 1 1 A 168 168 VAL CA C 168 67.103 65.144 1.959 1 1 1571 . 8 1 1 A 168 168 VAL CB C 168 30.845 31.257 -0.412 1 1 1574 . 8 1 1 A 168 168 VAL N N 168 117.042 120.364 -3.322 1 1 1575 . 8 1 1 A 169 169 PHE H H 169 6.368 8.024 -1.656 1 1 1576 . 8 1 1 A 169 169 PHE HA H 169 3.751 4.196 -0.445 1 1 1579 . 8 1 1 A 169 169 PHE C C 169 178.202 177.336 0.866 1 1 1580 . 8 1 1 A 169 169 PHE CA C 169 61.975 61.403 0.572 1 1 1581 . 8 1 1 A 169 169 PHE CB C 169 38.990 38.977 0.013 1 1 1582 . 8 1 1 A 169 169 PHE N N 169 113.983 122.620 -8.637 1 1 1583 . 8 1 1 A 170 170 ASP H H 170 7.906 8.337 -0.431 1 1 1584 . 8 1 1 A 170 170 ASP HA H 170 4.338 4.158 0.180 1 1 1586 . 8 1 1 A 170 170 ASP C C 170 178.596 179.337 -0.741 1 1 1587 . 8 1 1 A 170 170 ASP CA C 170 57.540 57.252 0.288 1 1 1588 . 8 1 1 A 170 170 ASP CB C 170 39.481 40.159 -0.678 1 1 1589 . 8 1 1 A 170 170 ASP N N 170 120.793 119.547 1.246 1 1 1590 . 8 1 1 A 171 171 GLU H H 171 8.048 8.031 0.017 1 1 1591 . 8 1 1 A 171 171 GLU HA H 171 3.989 3.955 0.034 1 1 1594 . 8 1 1 A 171 171 GLU C C 171 179.405 179.301 0.104 1 1 1595 . 8 1 1 A 171 171 GLU CA C 171 58.130 58.746 -0.616 1 1 1596 . 8 1 1 A 171 171 GLU CB C 171 27.546 28.933 -1.387 1 1 1598 . 8 1 1 A 171 171 GLU N N 171 115.893 119.253 -3.360 1 1 1599 . 8 1 1 A 172 172 ALA H H 172 7.937 7.909 0.028 1 1 1600 . 8 1 1 A 172 172 ALA HA H 172 3.759 3.969 -0.210 1 1 1604 . 8 1 1 A 172 172 ALA C C 172 177.968 179.962 -1.994 1 1 1605 . 8 1 1 A 172 172 ALA CA C 172 55.395 55.153 0.242 1 1 1606 . 8 1 1 A 172 172 ALA CB C 172 17.084 17.973 -0.889 1 1 1607 . 8 1 1 A 172 172 ALA N N 172 123.733 122.689 1.044 1 1 1608 . 8 1 1 A 173 173 ILE H H 173 7.645 7.396 0.249 1 1 1609 . 8 1 1 A 173 173 ILE HA H 173 3.314 3.567 -0.253 1 1 1615 . 8 1 1 A 173 173 ILE C C 173 177.082 177.766 -0.684 1 1 1616 . 8 1 1 A 173 173 ILE CA C 173 65.755 64.648 1.107 1 1 1617 . 8 1 1 A 173 173 ILE CB C 173 37.448 37.310 0.138 1 1 1621 . 8 1 1 A 173 173 ILE N N 173 116.213 119.491 -3.278 1 1 1622 . 8 1 1 A 174 174 LEU H H 174 7.703 7.408 0.295 1 1 1623 . 8 1 1 A 174 174 LEU HA H 174 3.760 3.911 -0.151 1 1 1629 . 8 1 1 A 174 174 LEU C C 174 179.847 178.236 1.611 1 1 1630 . 8 1 1 A 174 174 LEU CA C 174 58.049 57.926 0.123 1 1 1631 . 8 1 1 A 174 174 LEU CB C 174 40.973 41.099 -0.126 1 1 1634 . 8 1 1 A 174 174 LEU N N 174 116.496 121.130 -4.634 1 1 1635 . 8 1 1 A 175 175 ALA H H 175 7.927 7.895 0.032 1 1 1636 . 8 1 1 A 175 175 ALA HA H 175 4.057 3.914 0.143 1 1 1640 . 8 1 1 A 175 175 ALA C C 175 178.605 179.485 -0.880 1 1 1641 . 8 1 1 A 175 175 ALA CA C 175 54.004 55.115 -1.111 1 1 1642 . 8 1 1 A 175 175 ALA CB C 175 18.464 18.179 0.285 1 1 1643 . 8 1 1 A 175 175 ALA N N 175 118.760 120.482 -1.722 1 1 1644 . 8 1 1 A 176 176 ALA H H 176 7.647 7.624 0.023 1 1 1645 . 8 1 1 A 176 176 ALA HA H 176 4.035 3.982 0.053 1 1 1649 . 8 1 1 A 176 176 ALA C C 176 178.284 180.024 -1.740 1 1 1650 . 8 1 1 A 176 176 ALA CA C 176 53.335 54.248 -0.913 1 1 1651 . 8 1 1 A 176 176 ALA CB C 176 18.985 18.320 0.665 1 1 1652 . 8 1 1 A 176 176 ALA N N 176 117.532 120.393 -2.861 1 1 1653 . 8 1 1 A 177 177 LEU H H 177 7.419 7.664 -0.245 1 1 1654 . 8 1 1 A 177 177 LEU HA H 177 4.210 3.780 0.430 1 1 1658 . 8 1 1 A 177 177 LEU C C 177 174.091 178.854 -4.763 1 1 1659 . 8 1 1 A 177 177 LEU CA C 177 55.035 57.669 -2.634 1 1 1660 . 8 1 1 A 177 177 LEU CB C 177 42.340 41.233 1.107 1 1 1663 . 8 1 1 A 177 177 LEU N N 177 115.220 119.108 -3.888 1 1 9 . 9 1 1 A 2 2 GLN H H 2 8.458 7.761 0.697 1 1 10 . 9 1 1 A 2 2 GLN HA H 2 4.330 4.992 -0.662 1 1 17 . 9 1 1 A 2 2 GLN C C 2 176.274 174.266 2.008 1 1 18 . 9 1 1 A 2 2 GLN CA C 2 55.806 54.437 1.369 1 1 19 . 9 1 1 A 2 2 GLN CB C 2 32.011 30.945 1.066 1 1 21 . 9 1 1 A 2 2 GLN N N 2 121.530 117.549 3.981 1 1 23 . 9 1 1 A 3 3 THR H H 3 7.618 8.911 -1.293 1 1 24 . 9 1 1 A 3 3 THR HA H 3 4.683 5.093 -0.410 1 1 29 . 9 1 1 A 3 3 THR C C 3 173.331 172.437 0.894 1 1 30 . 9 1 1 A 3 3 THR CA C 3 61.640 60.121 1.519 1 1 31 . 9 1 1 A 3 3 THR CB C 3 70.160 71.894 -1.734 1 1 33 . 9 1 1 A 3 3 THR N N 3 120.510 116.694 3.816 1 1 34 . 9 1 1 A 4 4 ILE H H 4 9.077 9.087 -0.010 1 1 35 . 9 1 1 A 4 4 ILE HA H 4 4.418 4.668 -0.250 1 1 38 . 9 1 1 A 4 4 ILE C C 4 173.824 174.957 -1.133 1 1 39 . 9 1 1 A 4 4 ILE CA C 4 59.775 60.332 -0.557 1 1 40 . 9 1 1 A 4 4 ILE CB C 4 40.441 40.465 -0.024 1 1 44 . 9 1 1 A 4 4 ILE N N 4 127.486 125.541 1.945 1 1 45 . 9 1 1 A 5 5 LYS H H 5 10.666 8.908 1.758 1 1 46 . 9 1 1 A 5 5 LYS HA H 5 4.773 4.925 -0.152 1 1 47 . 9 1 1 A 5 5 LYS C C 5 174.398 175.803 -1.405 1 1 48 . 9 1 1 A 5 5 LYS CA C 5 56.175 55.976 0.199 1 1 49 . 9 1 1 A 5 5 LYS CB C 5 31.965 33.138 -1.173 1 1 52 . 9 1 1 A 5 5 LYS N N 5 131.626 127.269 4.357 1 1 53 . 9 1 1 A 6 6 CYS H H 6 9.473 8.982 0.491 1 1 54 . 9 1 1 A 6 6 CYS HA H 6 5.580 5.231 0.349 1 1 57 . 9 1 1 A 6 6 CYS C C 6 172.210 173.310 -1.100 1 1 58 . 9 1 1 A 6 6 CYS CA C 6 56.195 58.065 -1.870 1 1 59 . 9 1 1 A 6 6 CYS CB C 6 28.604 31.178 -2.574 1 1 60 . 9 1 1 A 6 6 CYS N N 6 131.522 120.953 10.569 1 1 61 . 9 1 1 A 7 7 VAL H H 7 7.607 8.372 -0.765 1 1 62 . 9 1 1 A 7 7 VAL HA H 7 5.014 4.853 0.161 1 1 70 . 9 1 1 A 7 7 VAL C C 7 174.077 175.017 -0.940 1 1 71 . 9 1 1 A 7 7 VAL CA C 7 60.575 61.409 -0.834 1 1 72 . 9 1 1 A 7 7 VAL CB C 7 33.100 33.630 -0.530 1 1 74 . 9 1 1 A 7 7 VAL N N 7 128.326 125.621 2.705 1 1 75 . 9 1 1 A 8 8 VAL H H 8 8.566 9.040 -0.474 1 1 76 . 9 1 1 A 8 8 VAL HA H 8 4.784 5.063 -0.279 1 1 84 . 9 1 1 A 8 8 VAL C C 8 174.443 175.259 -0.816 1 1 85 . 9 1 1 A 8 8 VAL CA C 8 61.573 60.828 0.745 1 1 86 . 9 1 1 A 8 8 VAL CB C 8 32.367 34.025 -1.658 1 1 88 . 9 1 1 A 8 8 VAL N N 8 127.481 127.079 0.402 1 1 89 . 9 1 1 A 9 9 VAL H H 9 8.923 8.585 0.338 1 1 90 . 9 1 1 A 9 9 VAL HA H 9 4.419 5.240 -0.821 1 1 98 . 9 1 1 A 9 9 VAL C C 9 173.171 174.468 -1.297 1 1 99 . 9 1 1 A 9 9 VAL CA C 9 58.397 59.355 -0.958 1 1 100 . 9 1 1 A 9 9 VAL CB C 9 35.085 35.600 -0.515 1 1 102 . 9 1 1 A 9 9 VAL N N 9 116.900 120.645 -3.745 1 1 103 . 9 1 1 A 10 10 GLY H H 10 6.267 8.550 -2.283 1 1 104 . 9 1 1 A 10 10 GLY HA2 H 10 4.159 4.278 -0.119 1 1 105 . 9 1 1 A 10 10 GLY HA3 H 10 1.722 4.346 -2.624 1 1 106 . 9 1 1 A 10 10 GLY C C 10 172.378 171.728 0.650 1 1 107 . 9 1 1 A 10 10 GLY CA C 10 42.935 44.942 -2.007 1 1 108 . 9 1 1 A 10 10 GLY N N 10 106.077 109.019 -2.942 1 1 109 . 9 1 1 A 11 11 ASP H H 11 8.399 8.724 -0.325 1 1 110 . 9 1 1 A 11 11 ASP HA H 11 4.737 4.989 -0.252 1 1 112 . 9 1 1 A 11 11 ASP C C 11 177.486 176.639 0.847 1 1 113 . 9 1 1 A 11 11 ASP CA C 11 55.635 54.559 1.076 1 1 114 . 9 1 1 A 11 11 ASP CB C 11 41.076 41.732 -0.656 1 1 115 . 9 1 1 A 11 11 ASP N N 11 119.142 120.565 -1.423 1 1 116 . 9 1 1 A 12 12 GLY H H 12 8.902 8.996 -0.094 1 1 117 . 9 1 1 A 12 12 GLY HA2 H 12 3.954 3.895 0.059 1 1 118 . 9 1 1 A 12 12 GLY HA3 H 12 3.718 3.897 -0.179 1 1 119 . 9 1 1 A 12 12 GLY C C 12 173.624 174.502 -0.878 1 1 120 . 9 1 1 A 12 12 GLY CA C 12 46.955 47.390 -0.435 1 1 121 . 9 1 1 A 12 12 GLY N N 12 104.688 115.713 -11.025 1 1 122 . 9 1 1 A 13 13 ALA H H 13 10.666 8.158 2.508 1 1 123 . 9 1 1 A 13 13 ALA HA H 13 4.067 4.689 -0.622 1 1 127 . 9 1 1 A 13 13 ALA CA C 13 53.455 51.375 2.080 1 1 128 . 9 1 1 A 13 13 ALA CB C 13 15.706 19.195 -3.489 1 1 129 . 9 1 1 A 13 13 ALA N N 13 123.135 126.494 -3.359 1 1 130 . 9 1 1 A 14 14 VAL H H 14 7.663 7.766 -0.103 1 1 131 . 9 1 1 A 14 14 VAL HA H 14 4.146 3.769 0.377 1 1 132 . 9 1 1 A 14 14 VAL C C 14 175.007 177.711 -2.704 1 1 133 . 9 1 1 A 14 14 VAL CA C 14 62.015 65.685 -3.670 1 1 134 . 9 1 1 A 14 14 VAL N N 14 118.803 118.429 0.374 1 1 135 . 9 1 1 A 15 15 GLY H H 15 8.686 8.412 0.274 1 1 136 . 9 1 1 A 15 15 GLY HA2 H 15 4.838 4.025 0.813 1 1 137 . 9 1 1 A 15 15 GLY HA3 H 15 4.312 4.027 0.285 1 1 138 . 9 1 1 A 15 15 GLY C C 15 175.934 175.201 0.733 1 1 139 . 9 1 1 A 15 15 GLY CA C 15 44.835 45.262 -0.427 1 1 140 . 9 1 1 A 15 15 GLY N N 15 110.360 109.141 1.219 1 1 141 . 9 1 1 A 16 16 LYS H H 16 10.352 7.867 2.485 1 1 142 . 9 1 1 A 16 16 LYS HA H 16 3.575 4.035 -0.460 1 1 143 . 9 1 1 A 16 16 LYS C C 16 176.582 178.825 -2.243 1 1 144 . 9 1 1 A 16 16 LYS CA C 16 60.695 58.787 1.908 1 1 145 . 9 1 1 A 16 16 LYS CB C 16 29.661 32.249 -2.588 1 1 146 . 9 1 1 A 16 16 LYS N N 16 125.835 121.020 4.815 1 1 147 . 9 1 1 A 17 17 THR H H 17 9.024 8.086 0.938 1 1 148 . 9 1 1 A 17 17 THR HA H 17 3.930 4.187 -0.257 1 1 153 . 9 1 1 A 17 17 THR C C 17 177.493 177.424 0.069 1 1 154 . 9 1 1 A 17 17 THR CA C 17 66.984 65.229 1.755 1 1 155 . 9 1 1 A 17 17 THR CB C 17 67.298 68.218 -0.920 1 1 157 . 9 1 1 A 17 17 THR N N 17 118.089 114.030 4.059 1 1 158 . 9 1 1 A 18 18 CYS H H 18 9.773 8.185 1.588 1 1 159 . 9 1 1 A 18 18 CYS HA H 18 3.580 4.058 -0.478 1 1 162 . 9 1 1 A 18 18 CYS C C 18 176.716 177.053 -0.337 1 1 163 . 9 1 1 A 18 18 CYS CA C 18 65.816 63.470 2.346 1 1 164 . 9 1 1 A 18 18 CYS CB C 18 27.655 27.263 0.392 1 1 165 . 9 1 1 A 18 18 CYS N N 18 119.747 120.289 -0.542 1 1 166 . 9 1 1 A 19 19 LEU H H 19 8.195 7.739 0.456 1 1 167 . 9 1 1 A 19 19 LEU HA H 19 3.940 4.116 -0.176 1 1 174 . 9 1 1 A 19 19 LEU C C 19 177.177 178.896 -1.719 1 1 175 . 9 1 1 A 19 19 LEU CA C 19 59.366 57.840 1.526 1 1 176 . 9 1 1 A 19 19 LEU CB C 19 41.377 41.696 -0.319 1 1 178 . 9 1 1 A 19 19 LEU N N 19 121.557 123.213 -1.656 1 1 179 . 9 1 1 A 20 20 LEU H H 20 7.270 7.959 -0.689 1 1 180 . 9 1 1 A 20 20 LEU HA H 20 3.840 4.105 -0.265 1 1 189 . 9 1 1 A 20 20 LEU C C 20 180.155 179.167 0.988 1 1 190 . 9 1 1 A 20 20 LEU CA C 20 57.629 57.711 -0.082 1 1 191 . 9 1 1 A 20 20 LEU CB C 20 41.498 41.575 -0.077 1 1 194 . 9 1 1 A 20 20 LEU N N 20 117.986 117.855 0.131 1 1 195 . 9 1 1 A 21 21 ILE H H 21 8.619 8.061 0.558 1 1 196 . 9 1 1 A 21 21 ILE HA H 21 3.090 3.723 -0.633 1 1 202 . 9 1 1 A 21 21 ILE C C 21 179.125 177.933 1.192 1 1 203 . 9 1 1 A 21 21 ILE CA C 21 66.129 63.057 3.072 1 1 204 . 9 1 1 A 21 21 ILE CB C 21 38.338 37.553 0.785 1 1 208 . 9 1 1 A 21 21 ILE N N 21 121.078 120.284 0.794 1 1 209 . 9 1 1 A 22 22 SER H H 22 8.899 7.886 1.013 1 1 210 . 9 1 1 A 22 22 SER HA H 22 4.517 4.075 0.442 1 1 213 . 9 1 1 A 22 22 SER C C 22 176.876 176.045 0.831 1 1 214 . 9 1 1 A 22 22 SER CA C 22 61.380 62.809 -1.429 1 1 215 . 9 1 1 A 22 22 SER CB C 22 63.882 63.431 0.451 1 1 216 . 9 1 1 A 22 22 SER N N 22 118.286 119.589 -1.303 1 1 217 . 9 1 1 A 23 23 TYR H H 23 7.951 7.760 0.191 1 1 218 . 9 1 1 A 23 23 TYR HA H 23 4.264 4.203 0.061 1 1 223 . 9 1 1 A 23 23 TYR C C 23 176.820 177.079 -0.259 1 1 224 . 9 1 1 A 23 23 TYR CA C 23 60.474 61.511 -1.037 1 1 225 . 9 1 1 A 23 23 TYR CB C 23 39.531 38.765 0.766 1 1 226 . 9 1 1 A 23 23 TYR N N 23 117.292 123.258 -5.966 1 1 227 . 9 1 1 A 24 24 THR H H 24 7.702 7.364 0.338 1 1 228 . 9 1 1 A 24 24 THR HA H 24 3.614 3.911 -0.297 1 1 233 . 9 1 1 A 24 24 THR C C 24 176.500 174.957 1.543 1 1 234 . 9 1 1 A 24 24 THR CA C 24 64.095 65.564 -1.469 1 1 235 . 9 1 1 A 24 24 THR CB C 24 70.437 68.425 2.012 1 1 237 . 9 1 1 A 24 24 THR N N 24 105.659 115.665 -10.006 1 1 238 . 9 1 1 A 25 25 THR H H 25 8.080 7.118 0.962 1 1 239 . 9 1 1 A 25 25 THR HA H 25 4.556 4.459 0.097 1 1 244 . 9 1 1 A 25 25 THR C C 25 175.025 174.099 0.926 1 1 245 . 9 1 1 A 25 25 THR CA C 25 61.975 61.318 0.657 1 1 246 . 9 1 1 A 25 25 THR CB C 25 72.012 70.766 1.246 1 1 248 . 9 1 1 A 25 25 THR N N 25 109.689 112.326 -2.637 1 1 249 . 9 1 1 A 26 26 ASN H H 26 7.603 8.397 -0.794 1 1 250 . 9 1 1 A 26 26 ASN HA H 26 4.501 4.858 -0.357 1 1 253 . 9 1 1 A 26 26 ASN C C 26 173.259 175.245 -1.986 1 1 254 . 9 1 1 A 26 26 ASN CA C 26 55.218 53.932 1.286 1 1 255 . 9 1 1 A 26 26 ASN CB C 26 38.009 37.949 0.060 1 1 256 . 9 1 1 A 26 26 ASN N N 26 115.569 119.363 -3.794 1 1 257 . 9 1 1 A 27 27 LYS H H 27 7.698 8.621 -0.923 1 1 258 . 9 1 1 A 27 27 LYS HA H 27 4.431 3.921 0.510 1 1 261 . 9 1 1 A 27 27 LYS C C 27 173.500 178.074 -4.574 1 1 262 . 9 1 1 A 27 27 LYS CA C 27 55.163 59.050 -3.887 1 1 263 . 9 1 1 A 27 27 LYS CB C 27 35.034 32.273 2.761 1 1 267 . 9 1 1 A 27 27 LYS N N 27 118.253 125.378 -7.125 1 1 268 . 9 1 1 A 28 28 PHE H H 28 8.554 8.466 0.088 1 1 269 . 9 1 1 A 28 28 PHE CA C 28 55.575 61.419 -5.844 1 1 270 . 9 1 1 A 28 28 PHE CB C 28 39.322 37.270 2.052 1 1 271 . 9 1 1 A 28 28 PHE N N 28 125.682 119.558 6.124 1 1 272 . 9 1 1 A 29 29 PRO HA H 29 4.373 4.461 -0.088 1 1 274 . 9 1 1 A 29 29 PRO C C 29 173.611 176.735 -3.124 1 1 275 . 9 1 1 A 29 29 PRO CA C 29 61.978 64.191 -2.213 1 1 276 . 9 1 1 A 29 29 PRO CB C 29 30.039 31.827 -1.788 1 1 279 . 9 1 1 A 30 30 SER H H 30 7.993 8.079 -0.086 1 1 280 . 9 1 1 A 30 30 SER HA H 30 4.285 4.780 -0.495 1 1 283 . 9 1 1 A 30 30 SER C C 30 174.665 174.273 0.392 1 1 284 . 9 1 1 A 30 30 SER CA C 30 58.948 59.389 -0.441 1 1 285 . 9 1 1 A 30 30 SER CB C 30 64.019 64.956 -0.937 1 1 286 . 9 1 1 A 30 30 SER N N 30 116.682 112.902 3.780 1 1 287 . 9 1 1 A 31 31 GLU H H 31 8.198 8.039 0.159 1 1 288 . 9 1 1 A 31 31 GLU HA H 31 4.308 3.828 0.480 1 1 292 . 9 1 1 A 31 31 GLU C C 31 175.157 175.103 0.054 1 1 293 . 9 1 1 A 31 31 GLU CA C 31 56.846 57.530 -0.684 1 1 294 . 9 1 1 A 31 31 GLU CB C 31 30.113 27.375 2.738 1 1 296 . 9 1 1 A 31 31 GLU N N 31 120.151 117.251 2.900 1 1 297 . 9 1 1 A 32 32 TYR H H 32 7.714 7.970 -0.256 1 1 298 . 9 1 1 A 32 32 TYR HA H 32 4.407 4.542 -0.135 1 1 302 . 9 1 1 A 32 32 TYR C C 32 173.544 176.039 -2.495 1 1 303 . 9 1 1 A 32 32 TYR CA C 32 58.368 60.046 -1.678 1 1 304 . 9 1 1 A 32 32 TYR CB C 32 38.614 39.633 -1.019 1 1 305 . 9 1 1 A 32 32 TYR N N 32 118.548 119.516 -0.968 1 1 306 . 9 1 1 A 33 33 VAL H H 33 7.764 8.189 -0.425 1 1 307 . 9 1 1 A 33 33 VAL HA H 33 4.048 3.985 0.063 1 1 315 . 9 1 1 A 33 33 VAL CA C 33 58.575 63.324 -4.749 1 1 316 . 9 1 1 A 33 33 VAL CB C 33 33.600 30.146 3.454 1 1 317 . 9 1 1 A 33 33 VAL N N 33 125.992 119.458 6.534 1 1 318 . 9 1 1 A 34 34 PRO HA H 34 4.215 4.493 -0.278 1 1 320 . 9 1 1 A 34 34 PRO C C 34 175.627 176.745 -1.118 1 1 321 . 9 1 1 A 34 34 PRO CA C 34 61.655 66.303 -4.648 1 1 322 . 9 1 1 A 34 34 PRO CB C 34 31.965 31.460 0.505 1 1 325 . 9 1 1 A 35 35 ALA H H 35 8.503 7.849 0.654 1 1 326 . 9 1 1 A 35 35 ALA HA H 35 4.190 4.257 -0.067 1 1 330 . 9 1 1 A 35 35 ALA C C 35 178.295 177.077 1.218 1 1 331 . 9 1 1 A 35 35 ALA CA C 35 54.499 52.173 2.326 1 1 332 . 9 1 1 A 35 35 ALA CB C 35 18.235 19.014 -0.779 1 1 333 . 9 1 1 A 35 35 ALA N N 35 123.063 120.766 2.297 1 1 334 . 9 1 1 A 36 36 VAL H H 36 8.032 8.142 -0.110 1 1 335 . 9 1 1 A 36 36 VAL HA H 36 4.258 4.216 0.042 1 1 340 . 9 1 1 A 36 36 VAL CA C 36 60.200 62.211 -2.011 1 1 341 . 9 1 1 A 36 36 VAL CB C 36 29.879 32.573 -2.694 1 1 342 . 9 1 1 A 36 36 VAL N N 36 116.770 122.169 -5.399 1 1 344 . 9 1 1 A 37 37 PHE C C 37 174.502 175.193 -0.691 1 1 345 . 9 1 1 A 37 37 PHE CA C 37 56.175 56.097 0.078 1 1 346 . 9 1 1 A 37 37 PHE CB C 37 40.231 42.638 -2.407 1 1 347 . 9 1 1 A 38 38 ASP H H 38 7.602 8.498 -0.896 1 1 348 . 9 1 1 A 38 38 ASP HA H 38 4.343 4.616 -0.273 1 1 351 . 9 1 1 A 38 38 ASP C C 38 174.386 175.463 -1.077 1 1 352 . 9 1 1 A 38 38 ASP CA C 38 54.323 52.703 1.620 1 1 353 . 9 1 1 A 38 38 ASP CB C 38 40.815 41.282 -0.467 1 1 354 . 9 1 1 A 38 38 ASP N N 38 125.774 121.212 4.562 1 1 355 . 9 1 1 A 39 39 ASN H H 39 7.917 8.537 -0.620 1 1 356 . 9 1 1 A 39 39 ASN HA H 39 4.303 4.325 -0.022 1 1 360 . 9 1 1 A 39 39 ASN C C 39 173.897 174.693 -0.796 1 1 361 . 9 1 1 A 39 39 ASN CA C 39 54.317 53.889 0.428 1 1 362 . 9 1 1 A 39 39 ASN CB C 39 38.180 38.964 -0.784 1 1 363 . 9 1 1 A 39 39 ASN N N 39 117.429 117.527 -0.098 1 1 365 . 9 1 1 A 40 40 TYR H H 40 7.726 8.966 -1.240 1 1 366 . 9 1 1 A 40 40 TYR HA H 40 4.513 5.098 -0.585 1 1 370 . 9 1 1 A 40 40 TYR C C 40 172.772 174.541 -1.769 1 1 371 . 9 1 1 A 40 40 TYR CA C 40 57.335 56.845 0.490 1 1 372 . 9 1 1 A 40 40 TYR CB C 40 42.956 41.064 1.892 1 1 373 . 9 1 1 A 40 40 TYR N N 40 122.998 120.764 2.234 1 1 374 . 9 1 1 A 41 41 ALA H H 41 7.651 8.991 -1.340 1 1 375 . 9 1 1 A 41 41 ALA HA H 41 5.636 5.191 0.445 1 1 379 . 9 1 1 A 41 41 ALA C C 41 175.778 176.285 -0.507 1 1 380 . 9 1 1 A 41 41 ALA CA C 41 50.456 50.253 0.203 1 1 381 . 9 1 1 A 41 41 ALA CB C 41 20.492 20.968 -0.476 1 1 382 . 9 1 1 A 41 41 ALA N N 41 127.028 126.305 0.723 1 1 383 . 9 1 1 A 42 42 VAL H H 42 8.781 8.452 0.329 1 1 384 . 9 1 1 A 42 42 VAL HA H 42 4.564 4.881 -0.317 1 1 389 . 9 1 1 A 42 42 VAL C C 42 173.852 174.527 -0.675 1 1 390 . 9 1 1 A 42 42 VAL CA C 42 59.278 60.558 -1.280 1 1 391 . 9 1 1 A 42 42 VAL CB C 42 35.342 35.551 -0.209 1 1 393 . 9 1 1 A 42 42 VAL N N 42 117.471 122.824 -5.353 1 1 394 . 9 1 1 A 43 43 THR H H 43 8.566 8.919 -0.353 1 1 395 . 9 1 1 A 43 43 THR HA H 43 5.124 5.012 0.112 1 1 400 . 9 1 1 A 43 43 THR C C 43 174.210 173.952 0.258 1 1 401 . 9 1 1 A 43 43 THR CA C 43 62.434 62.087 0.347 1 1 402 . 9 1 1 A 43 43 THR CB C 43 69.296 70.401 -1.105 1 1 404 . 9 1 1 A 43 43 THR N N 43 120.850 123.910 -3.060 1 1 405 . 9 1 1 A 44 44 VAL H H 44 9.442 8.809 0.633 1 1 406 . 9 1 1 A 44 44 VAL HA H 44 4.367 4.746 -0.379 1 1 411 . 9 1 1 A 44 44 VAL C C 44 174.061 174.874 -0.813 1 1 412 . 9 1 1 A 44 44 VAL CA C 44 60.639 61.161 -0.522 1 1 413 . 9 1 1 A 44 44 VAL CB C 44 35.053 34.181 0.872 1 1 415 . 9 1 1 A 44 44 VAL N N 44 127.764 126.313 1.451 1 1 416 . 9 1 1 A 45 45 MET H H 45 8.513 8.837 -0.324 1 1 417 . 9 1 1 A 45 45 MET HA H 45 5.272 5.221 0.051 1 1 421 . 9 1 1 A 45 45 MET C C 45 176.395 174.935 1.460 1 1 422 . 9 1 1 A 45 45 MET CA C 45 53.264 53.589 -0.325 1 1 423 . 9 1 1 A 45 45 MET CB C 45 31.692 34.236 -2.544 1 1 424 . 9 1 1 A 45 45 MET N N 45 123.063 124.768 -1.705 1 1 425 . 9 1 1 A 46 46 ILE H H 46 9.103 8.708 0.395 1 1 426 . 9 1 1 A 46 46 ILE HA H 46 4.382 4.712 -0.330 1 1 434 . 9 1 1 A 46 46 ILE C C 46 177.661 177.433 0.228 1 1 435 . 9 1 1 A 46 46 ILE CA C 46 59.755 59.679 0.076 1 1 436 . 9 1 1 A 46 46 ILE CB C 46 38.913 41.520 -2.607 1 1 440 . 9 1 1 A 46 46 ILE N N 46 125.267 124.408 0.859 1 1 441 . 9 1 1 A 47 47 GLY H H 47 9.385 9.056 0.329 1 1 442 . 9 1 1 A 47 47 GLY HA2 H 47 4.755 3.864 0.891 1 1 443 . 9 1 1 A 47 47 GLY HA3 H 47 3.851 3.868 -0.017 1 1 444 . 9 1 1 A 47 47 GLY C C 47 175.195 175.981 -0.786 1 1 445 . 9 1 1 A 47 47 GLY CA C 47 47.015 47.381 -0.366 1 1 446 . 9 1 1 A 47 47 GLY N N 47 119.278 113.994 5.284 1 1 447 . 9 1 1 A 48 48 GLY H H 48 8.606 8.250 0.356 1 1 448 . 9 1 1 A 48 48 GLY HA2 H 48 4.140 3.845 0.295 1 1 449 . 9 1 1 A 48 48 GLY HA3 H 48 3.623 3.881 -0.258 1 1 450 . 9 1 1 A 48 48 GLY C C 48 172.844 173.818 -0.974 1 1 451 . 9 1 1 A 48 48 GLY CA C 48 44.889 46.601 -1.712 1 1 452 . 9 1 1 A 48 48 GLY N N 48 104.656 109.147 -4.491 1 1 453 . 9 1 1 A 49 49 GLU H H 49 7.722 8.285 -0.563 1 1 454 . 9 1 1 A 49 49 GLU HA H 49 4.182 4.727 -0.545 1 1 457 . 9 1 1 A 49 49 GLU CA C 49 52.336 53.063 -0.727 1 1 458 . 9 1 1 A 49 49 GLU CB C 49 31.160 30.945 0.215 1 1 459 . 9 1 1 A 49 49 GLU N N 49 120.543 118.480 2.063 1 1 460 . 9 1 1 A 50 50 PRO HA H 50 4.977 4.850 0.127 1 1 462 . 9 1 1 A 50 50 PRO C C 50 177.922 175.119 2.803 1 1 463 . 9 1 1 A 50 50 PRO CA C 50 62.080 62.302 -0.222 1 1 464 . 9 1 1 A 50 50 PRO CB C 50 32.147 32.636 -0.489 1 1 465 . 9 1 1 A 51 51 TYR H H 51 9.148 8.448 0.700 1 1 466 . 9 1 1 A 51 51 TYR HA H 51 4.683 5.283 -0.600 1 1 470 . 9 1 1 A 51 51 TYR C C 51 176.400 174.649 1.751 1 1 471 . 9 1 1 A 51 51 TYR CA C 51 57.344 56.617 0.727 1 1 472 . 9 1 1 A 51 51 TYR CB C 51 41.669 43.780 -2.111 1 1 473 . 9 1 1 A 51 51 TYR N N 51 121.300 122.950 -1.650 1 1 474 . 9 1 1 A 52 52 THR H H 52 8.889 8.797 0.092 1 1 475 . 9 1 1 A 52 52 THR HA H 52 4.113 5.186 -1.073 1 1 477 . 9 1 1 A 52 52 THR C C 52 172.149 172.716 -0.567 1 1 478 . 9 1 1 A 52 52 THR CA C 52 62.400 61.265 1.135 1 1 479 . 9 1 1 A 52 52 THR CB C 52 69.447 70.978 -1.531 1 1 481 . 9 1 1 A 52 52 THR N N 52 119.482 115.968 3.514 1 1 482 . 9 1 1 A 53 53 LEU H H 53 9.480 8.829 0.651 1 1 483 . 9 1 1 A 53 53 LEU HA H 53 5.030 5.283 -0.253 1 1 491 . 9 1 1 A 53 53 LEU C C 53 174.307 174.866 -0.559 1 1 492 . 9 1 1 A 53 53 LEU CA C 53 53.375 53.579 -0.204 1 1 493 . 9 1 1 A 53 53 LEU CB C 53 44.216 45.185 -0.969 1 1 496 . 9 1 1 A 53 53 LEU N N 53 131.364 128.524 2.840 1 1 497 . 9 1 1 A 54 54 GLY H H 54 9.749 8.633 1.116 1 1 498 . 9 1 1 A 54 54 GLY HA2 H 54 4.571 4.130 0.441 1 1 499 . 9 1 1 A 54 54 GLY HA3 H 54 3.577 4.132 -0.555 1 1 500 . 9 1 1 A 54 54 GLY C C 54 171.929 171.567 0.362 1 1 501 . 9 1 1 A 54 54 GLY CA C 54 45.195 44.428 0.767 1 1 502 . 9 1 1 A 54 54 GLY N N 54 115.640 114.122 1.518 1 1 503 . 9 1 1 A 55 55 LEU H H 55 8.623 8.776 -0.153 1 1 504 . 9 1 1 A 55 55 LEU HA H 55 5.104 4.996 0.108 1 1 510 . 9 1 1 A 55 55 LEU C C 55 176.000 175.752 0.248 1 1 511 . 9 1 1 A 55 55 LEU CA C 55 54.202 52.972 1.230 1 1 512 . 9 1 1 A 55 55 LEU CB C 55 44.057 43.543 0.514 1 1 515 . 9 1 1 A 55 55 LEU N N 55 125.141 125.473 -0.332 1 1 516 . 9 1 1 A 56 56 PHE H H 56 8.735 9.159 -0.424 1 1 517 . 9 1 1 A 56 56 PHE HA H 56 4.821 5.296 -0.475 1 1 521 . 9 1 1 A 56 56 PHE C C 56 173.130 174.514 -1.384 1 1 522 . 9 1 1 A 56 56 PHE CA C 56 56.833 56.678 0.155 1 1 523 . 9 1 1 A 56 56 PHE CB C 56 40.776 42.806 -2.030 1 1 524 . 9 1 1 A 56 56 PHE N N 56 122.065 123.359 -1.294 1 1 525 . 9 1 1 A 57 57 ASP H H 57 9.093 9.068 0.025 1 1 526 . 9 1 1 A 57 57 ASP HA H 57 4.877 5.166 -0.289 1 1 529 . 9 1 1 A 57 57 ASP C C 57 175.941 174.859 1.082 1 1 530 . 9 1 1 A 57 57 ASP CA C 57 51.755 53.194 -1.439 1 1 531 . 9 1 1 A 57 57 ASP CB C 57 43.082 44.414 -1.332 1 1 532 . 9 1 1 A 57 57 ASP N N 57 124.050 118.594 5.456 1 1 533 . 9 1 1 A 58 58 THR H H 58 8.621 8.674 -0.053 1 1 534 . 9 1 1 A 58 58 THR HA H 58 3.905 4.383 -0.478 1 1 535 . 9 1 1 A 58 58 THR C C 58 172.124 174.179 -2.055 1 1 536 . 9 1 1 A 58 58 THR CA C 58 60.335 62.577 -2.242 1 1 537 . 9 1 1 A 58 58 THR CB C 58 74.469 69.602 4.867 1 1 538 . 9 1 1 A 58 58 THR N N 58 109.327 113.581 -4.254 1 1 539 . 9 1 1 A 59 59 ALA H H 59 8.695 8.402 0.293 1 1 540 . 9 1 1 A 59 59 ALA HA H 59 4.565 4.718 -0.153 1 1 544 . 9 1 1 A 59 59 ALA CA C 59 50.475 50.876 -0.401 1 1 545 . 9 1 1 A 59 59 ALA CB C 59 18.224 20.133 -1.909 1 1 546 . 9 1 1 A 59 59 ALA N N 59 123.129 127.764 -4.635 1 1 547 . 9 1 1 A 60 60 GLY H H 60 8.630 8.838 -0.208 1 1 548 . 9 1 1 A 60 60 GLY HA2 H 60 4.420 3.838 0.582 1 1 549 . 9 1 1 A 60 60 GLY HA3 H 60 3.902 3.846 0.056 1 1 550 . 9 1 1 A 60 60 GLY C C 60 173.122 174.952 -1.830 1 1 551 . 9 1 1 A 60 60 GLY CA C 60 46.178 47.170 -0.992 1 1 552 . 9 1 1 A 60 60 GLY N N 60 109.449 110.579 -1.130 1 1 553 . 9 1 1 A 61 61 GLN H H 61 8.553 7.969 0.584 1 1 554 . 9 1 1 A 61 61 GLN HA H 61 4.492 4.710 -0.218 1 1 560 . 9 1 1 A 61 61 GLN C C 61 177.014 176.226 0.788 1 1 561 . 9 1 1 A 61 61 GLN CA C 61 56.895 55.226 1.669 1 1 562 . 9 1 1 A 61 61 GLN CB C 61 28.863 27.549 1.314 1 1 564 . 9 1 1 A 61 61 GLN N N 61 118.471 119.940 -1.469 1 1 566 . 9 1 1 A 62 62 GLU H H 62 9.082 8.682 0.400 1 1 567 . 9 1 1 A 62 62 GLU HA H 62 4.292 4.069 0.223 1 1 570 . 9 1 1 A 62 62 GLU C C 62 178.273 178.350 -0.077 1 1 571 . 9 1 1 A 62 62 GLU CA C 62 58.361 59.449 -1.088 1 1 572 . 9 1 1 A 62 62 GLU CB C 62 28.579 29.315 -0.736 1 1 574 . 9 1 1 A 62 62 GLU N N 62 122.087 120.901 1.186 1 1 575 . 9 1 1 A 63 63 ASP H H 63 8.636 8.202 0.434 1 1 576 . 9 1 1 A 63 63 ASP HA H 63 4.348 4.291 0.057 1 1 579 . 9 1 1 A 63 63 ASP C C 63 176.712 176.817 -0.105 1 1 580 . 9 1 1 A 63 63 ASP CA C 63 55.587 56.747 -1.160 1 1 581 . 9 1 1 A 63 63 ASP CB C 63 39.571 40.810 -1.239 1 1 582 . 9 1 1 A 63 63 ASP N N 63 117.009 119.068 -2.059 1 1 583 . 9 1 1 A 64 64 TYR H H 64 8.061 8.001 0.060 1 1 584 . 9 1 1 A 64 64 TYR HA H 64 4.609 4.786 -0.177 1 1 587 . 9 1 1 A 64 64 TYR C C 64 176.254 176.043 0.211 1 1 588 . 9 1 1 A 64 64 TYR CA C 64 58.231 57.271 0.960 1 1 589 . 9 1 1 A 64 64 TYR CB C 64 38.650 38.583 0.067 1 1 590 . 9 1 1 A 64 64 TYR N N 64 117.063 117.105 -0.042 1 1 591 . 9 1 1 A 65 65 ASP H H 65 8.064 8.013 0.051 1 1 592 . 9 1 1 A 65 65 ASP HA H 65 4.439 4.306 0.133 1 1 594 . 9 1 1 A 65 65 ASP C C 65 175.163 176.118 -0.955 1 1 595 . 9 1 1 A 65 65 ASP CA C 65 57.971 57.378 0.593 1 1 596 . 9 1 1 A 65 65 ASP N N 65 122.196 121.096 1.100 1 1 597 . 9 1 1 A 66 66 ARG H H 66 8.537 7.969 0.568 1 1 598 . 9 1 1 A 66 66 ARG HA H 66 4.345 3.997 0.348 1 1 599 . 9 1 1 A 66 66 ARG C C 66 175.009 174.882 0.127 1 1 600 . 9 1 1 A 66 66 ARG CA C 66 56.217 57.009 -0.792 1 1 601 . 9 1 1 A 66 66 ARG N N 66 122.224 119.149 3.075 1 1 602 . 9 1 1 A 67 67 LEU H H 67 8.336 7.896 0.440 1 1 603 . 9 1 1 A 67 67 LEU HA H 67 4.037 4.520 -0.483 1 1 604 . 9 1 1 A 67 67 LEU CA C 67 61.694 54.018 7.676 1 1 605 . 9 1 1 A 67 67 LEU N N 67 117.734 119.936 -2.202 1 1 607 . 9 1 1 A 69 69 PRO C C 69 178.122 176.480 1.642 1 1 608 . 9 1 1 A 69 69 PRO CA C 69 63.575 64.727 -1.152 1 1 611 . 9 1 1 A 70 70 LEU H H 70 7.470 8.243 -0.773 1 1 612 . 9 1 1 A 70 70 LEU HA H 70 4.031 4.590 -0.559 1 1 621 . 9 1 1 A 70 70 LEU C C 70 178.756 176.946 1.810 1 1 622 . 9 1 1 A 70 70 LEU CA C 70 56.944 53.926 3.018 1 1 623 . 9 1 1 A 70 70 LEU CB C 70 40.002 40.586 -0.584 1 1 626 . 9 1 1 A 70 70 LEU N N 70 118.335 119.610 -1.275 1 1 627 . 9 1 1 A 71 71 SER H H 71 7.882 8.531 -0.649 1 1 628 . 9 1 1 A 71 71 SER HA H 71 4.461 4.380 0.081 1 1 630 . 9 1 1 A 71 71 SER C C 71 179.200 174.163 5.037 1 1 631 . 9 1 1 A 71 71 SER CA C 71 59.710 60.792 -1.082 1 1 632 . 9 1 1 A 71 71 SER CB C 71 63.841 63.494 0.347 1 1 633 . 9 1 1 A 71 71 SER N N 71 111.784 117.056 -5.272 1 1 634 . 9 1 1 A 72 72 TYR H H 72 7.362 7.703 -0.341 1 1 635 . 9 1 1 A 72 72 TYR CA C 72 56.002 56.384 -0.382 1 1 636 . 9 1 1 A 72 72 TYR CB C 72 35.144 39.087 -3.943 1 1 637 . 9 1 1 A 72 72 TYR N N 72 119.959 120.382 -0.423 1 1 638 . 9 1 1 A 73 73 PRO HA H 73 4.231 4.171 0.060 1 1 639 . 9 1 1 A 73 73 PRO C C 73 176.096 175.471 0.625 1 1 640 . 9 1 1 A 73 73 PRO CA C 73 66.055 62.452 3.603 1 1 641 . 9 1 1 A 73 73 PRO CB C 73 35.726 31.857 3.869 1 1 642 . 9 1 1 A 74 74 GLN H H 74 8.995 8.046 0.949 1 1 643 . 9 1 1 A 74 74 GLN HA H 74 3.790 4.688 -0.898 1 1 647 . 9 1 1 A 74 74 GLN C C 74 174.686 174.857 -0.171 1 1 648 . 9 1 1 A 74 74 GLN CA C 74 57.416 54.266 3.150 1 1 649 . 9 1 1 A 74 74 GLN CB C 74 25.352 31.535 -6.183 1 1 651 . 9 1 1 A 74 74 GLN N N 74 114.768 119.747 -4.979 1 1 653 . 9 1 1 A 75 75 THR H H 75 7.504 8.395 -0.891 1 1 654 . 9 1 1 A 75 75 THR HA H 75 3.172 4.648 -1.476 1 1 659 . 9 1 1 A 75 75 THR C C 75 173.589 173.275 0.314 1 1 660 . 9 1 1 A 75 75 THR CA C 75 67.162 61.163 5.999 1 1 661 . 9 1 1 A 75 75 THR CB C 75 61.122 71.601 -10.479 1 1 663 . 9 1 1 A 75 75 THR N N 75 116.725 116.953 -0.228 1 1 664 . 9 1 1 A 76 76 ASP H H 76 8.865 8.566 0.299 1 1 665 . 9 1 1 A 76 76 ASP HA H 76 4.873 4.865 0.008 1 1 668 . 9 1 1 A 76 76 ASP C C 76 177.600 176.046 1.554 1 1 669 . 9 1 1 A 76 76 ASP CA C 76 56.105 55.763 0.342 1 1 670 . 9 1 1 A 76 76 ASP CB C 76 44.016 43.245 0.771 1 1 671 . 9 1 1 A 76 76 ASP N N 76 124.192 125.652 -1.460 1 1 672 . 9 1 1 A 77 77 VAL H H 77 7.578 7.571 0.007 1 1 673 . 9 1 1 A 77 77 VAL HA H 77 4.706 4.660 0.046 1 1 681 . 9 1 1 A 77 77 VAL C C 77 171.266 174.273 -3.007 1 1 682 . 9 1 1 A 77 77 VAL CA C 77 60.346 60.879 -0.533 1 1 683 . 9 1 1 A 77 77 VAL CB C 77 32.362 35.265 -2.903 1 1 685 . 9 1 1 A 77 77 VAL N N 77 116.060 118.368 -2.308 1 1 686 . 9 1 1 A 78 78 PHE H H 78 8.287 8.902 -0.615 1 1 687 . 9 1 1 A 78 78 PHE HA H 78 5.646 5.156 0.490 1 1 690 . 9 1 1 A 78 78 PHE C C 78 175.799 174.407 1.392 1 1 691 . 9 1 1 A 78 78 PHE CA C 78 56.686 56.105 0.581 1 1 692 . 9 1 1 A 78 78 PHE CB C 78 43.413 40.907 2.506 1 1 693 . 9 1 1 A 78 78 PHE N N 78 121.935 126.242 -4.307 1 1 694 . 9 1 1 A 79 79 LEU H H 79 8.937 8.727 0.210 1 1 695 . 9 1 1 A 79 79 LEU HA H 79 4.691 5.129 -0.438 1 1 701 . 9 1 1 A 79 79 LEU C C 79 174.059 174.980 -0.921 1 1 702 . 9 1 1 A 79 79 LEU CA C 79 53.575 53.376 0.199 1 1 703 . 9 1 1 A 79 79 LEU CB C 79 41.184 45.156 -3.972 1 1 706 . 9 1 1 A 79 79 LEU N N 79 119.060 124.981 -5.921 1 1 707 . 9 1 1 A 80 80 VAL H H 80 8.828 8.879 -0.051 1 1 708 . 9 1 1 A 80 80 VAL HA H 80 4.138 4.799 -0.661 1 1 716 . 9 1 1 A 80 80 VAL C C 80 174.535 174.312 0.223 1 1 717 . 9 1 1 A 80 80 VAL CA C 80 61.395 59.209 2.186 1 1 718 . 9 1 1 A 80 80 VAL CB C 80 30.602 35.147 -4.545 1 1 721 . 9 1 1 A 80 80 VAL N N 80 124.677 119.901 4.776 1 1 722 . 9 1 1 A 81 81 CYS H H 81 8.795 8.615 0.180 1 1 723 . 9 1 1 A 81 81 CYS HA H 81 5.758 5.449 0.309 1 1 726 . 9 1 1 A 81 81 CYS C C 81 173.980 173.796 0.184 1 1 727 . 9 1 1 A 81 81 CYS CA C 81 57.821 56.808 1.013 1 1 728 . 9 1 1 A 81 81 CYS CB C 81 30.043 31.601 -1.558 1 1 729 . 9 1 1 A 81 81 CYS N N 81 123.745 121.571 2.174 1 1 730 . 9 1 1 A 82 82 PHE H H 82 8.873 8.781 0.092 1 1 731 . 9 1 1 A 82 82 PHE HA H 82 4.532 5.233 -0.701 1 1 735 . 9 1 1 A 82 82 PHE C C 82 171.090 173.061 -1.971 1 1 736 . 9 1 1 A 82 82 PHE CA C 82 56.367 55.948 0.419 1 1 737 . 9 1 1 A 82 82 PHE CB C 82 40.091 41.346 -1.255 1 1 738 . 9 1 1 A 82 82 PHE N N 82 117.718 119.325 -1.607 1 1 739 . 9 1 1 A 83 83 SER H H 83 8.038 8.917 -0.879 1 1 740 . 9 1 1 A 83 83 SER HA H 83 5.204 4.769 0.435 1 1 743 . 9 1 1 A 83 83 SER C C 83 178.547 174.481 4.066 1 1 744 . 9 1 1 A 83 83 SER CA C 83 55.000 57.180 -2.180 1 1 745 . 9 1 1 A 83 83 SER CB C 83 63.051 65.370 -2.319 1 1 746 . 9 1 1 A 83 83 SER N N 83 113.246 115.829 -2.583 1 1 747 . 9 1 1 A 84 84 VAL H H 84 8.609 8.429 0.180 1 1 748 . 9 1 1 A 84 84 VAL HA H 84 4.261 4.377 -0.116 1 1 756 . 9 1 1 A 84 84 VAL C C 84 175.783 176.277 -0.494 1 1 757 . 9 1 1 A 84 84 VAL CA C 84 63.745 62.576 1.169 1 1 758 . 9 1 1 A 84 84 VAL CB C 84 29.811 32.553 -2.742 1 1 760 . 9 1 1 A 84 84 VAL N N 84 120.609 123.298 -2.689 1 1 761 . 9 1 1 A 85 85 VAL H H 85 7.653 7.496 0.157 1 1 762 . 9 1 1 A 85 85 VAL HA H 85 4.508 4.563 -0.055 1 1 767 . 9 1 1 A 85 85 VAL C C 85 173.401 174.757 -1.356 1 1 768 . 9 1 1 A 85 85 VAL CA C 85 59.998 60.867 -0.869 1 1 769 . 9 1 1 A 85 85 VAL CB C 85 29.718 32.029 -2.311 1 1 772 . 9 1 1 A 85 85 VAL N N 85 107.920 116.176 -8.256 1 1 773 . 9 1 1 A 86 86 SER H H 86 7.792 7.894 -0.102 1 1 774 . 9 1 1 A 86 86 SER HA H 86 5.200 4.985 0.215 1 1 777 . 9 1 1 A 86 86 SER CA C 86 53.848 55.649 -1.801 1 1 778 . 9 1 1 A 86 86 SER CB C 86 62.720 63.877 -1.157 1 1 779 . 9 1 1 A 86 86 SER N N 86 112.608 117.993 -5.385 1 1 780 . 9 1 1 A 87 87 PRO C C 87 178.275 178.823 -0.548 1 1 781 . 9 1 1 A 87 87 PRO CA C 87 65.655 65.624 0.031 1 1 782 . 9 1 1 A 87 87 PRO CB C 87 31.961 31.620 0.341 1 1 783 . 9 1 1 A 88 88 SER H H 88 8.928 8.423 0.505 1 1 784 . 9 1 1 A 88 88 SER HA H 88 4.783 4.227 0.556 1 1 787 . 9 1 1 A 88 88 SER C C 88 176.192 176.872 -0.680 1 1 788 . 9 1 1 A 88 88 SER CA C 88 61.630 61.577 0.053 1 1 789 . 9 1 1 A 88 88 SER CB C 88 71.811 62.998 8.813 1 1 790 . 9 1 1 A 88 88 SER N N 88 113.475 113.084 0.391 1 1 791 . 9 1 1 A 89 89 SER H H 89 8.022 8.296 -0.274 1 1 792 . 9 1 1 A 89 89 SER HA H 89 5.047 4.442 0.605 1 1 795 . 9 1 1 A 89 89 SER C C 89 176.417 176.859 -0.442 1 1 796 . 9 1 1 A 89 89 SER CA C 89 61.352 60.716 0.636 1 1 797 . 9 1 1 A 89 89 SER CB C 89 63.930 63.166 0.764 1 1 798 . 9 1 1 A 89 89 SER N N 89 120.789 116.552 4.237 1 1 799 . 9 1 1 A 90 90 PHE H H 90 7.454 8.528 -1.074 1 1 800 . 9 1 1 A 90 90 PHE HA H 90 3.967 4.042 -0.075 1 1 804 . 9 1 1 A 90 90 PHE C C 90 177.387 178.065 -0.678 1 1 805 . 9 1 1 A 90 90 PHE CA C 90 59.945 60.443 -0.498 1 1 806 . 9 1 1 A 90 90 PHE CB C 90 39.365 39.247 0.118 1 1 807 . 9 1 1 A 90 90 PHE N N 90 124.950 124.111 0.839 1 1 808 . 9 1 1 A 91 91 GLU H H 91 8.245 8.214 0.031 1 1 809 . 9 1 1 A 91 91 GLU HA H 91 3.921 4.110 -0.189 1 1 811 . 9 1 1 A 91 91 GLU C C 91 179.695 179.745 -0.050 1 1 812 . 9 1 1 A 91 91 GLU CA C 91 59.102 59.604 -0.502 1 1 813 . 9 1 1 A 91 91 GLU CB C 91 28.437 29.310 -0.873 1 1 815 . 9 1 1 A 91 91 GLU N N 91 119.953 117.985 1.968 1 1 816 . 9 1 1 A 92 92 ASN H H 92 8.106 8.261 -0.155 1 1 817 . 9 1 1 A 92 92 ASN HA H 92 4.760 4.467 0.293 1 1 821 . 9 1 1 A 92 92 ASN C C 92 178.593 178.140 0.453 1 1 822 . 9 1 1 A 92 92 ASN CA C 92 54.635 56.537 -1.902 1 1 823 . 9 1 1 A 92 92 ASN CB C 92 37.879 40.081 -2.202 1 1 824 . 9 1 1 A 92 92 ASN N N 92 114.315 118.284 -3.969 1 1 826 . 9 1 1 A 93 93 VAL H H 93 7.883 7.701 0.182 1 1 827 . 9 1 1 A 93 93 VAL HA H 93 3.738 3.615 0.123 1 1 835 . 9 1 1 A 93 93 VAL C C 93 174.932 178.558 -3.626 1 1 836 . 9 1 1 A 93 93 VAL CA C 93 68.395 67.010 1.385 1 1 837 . 9 1 1 A 93 93 VAL CB C 93 30.596 31.249 -0.653 1 1 839 . 9 1 1 A 93 93 VAL N N 93 124.067 119.604 4.463 1 1 840 . 9 1 1 A 94 94 LYS H H 94 6.590 7.561 -0.971 1 1 841 . 9 1 1 A 94 94 LYS HA H 94 3.902 4.044 -0.142 1 1 846 . 9 1 1 A 94 94 LYS C C 94 176.885 179.234 -2.349 1 1 847 . 9 1 1 A 94 94 LYS CA C 94 58.135 58.984 -0.849 1 1 848 . 9 1 1 A 94 94 LYS CB C 94 33.163 32.496 0.667 1 1 851 . 9 1 1 A 94 94 LYS N N 94 115.269 119.754 -4.485 1 1 852 . 9 1 1 A 95 95 GLU H H 95 7.719 8.800 -1.081 1 1 853 . 9 1 1 A 95 95 GLU HA H 95 4.089 4.059 0.030 1 1 857 . 9 1 1 A 95 95 GLU C C 95 176.252 177.689 -1.437 1 1 858 . 9 1 1 A 95 95 GLU CA C 95 57.564 59.090 -1.526 1 1 859 . 9 1 1 A 95 95 GLU CB C 95 30.353 29.689 0.664 1 1 861 . 9 1 1 A 95 95 GLU N N 95 112.466 119.351 -6.885 1 1 862 . 9 1 1 A 96 96 LYS H H 96 8.063 7.711 0.352 1 1 863 . 9 1 1 A 96 96 LYS HA H 96 4.250 4.367 -0.117 1 1 867 . 9 1 1 A 96 96 LYS C C 96 177.781 178.582 -0.801 1 1 868 . 9 1 1 A 96 96 LYS CA C 96 57.343 57.716 -0.373 1 1 869 . 9 1 1 A 96 96 LYS CB C 96 35.190 34.230 0.960 1 1 873 . 9 1 1 A 96 96 LYS N N 96 115.613 118.784 -3.171 1 1 874 . 9 1 1 A 97 97 TRP H H 97 7.786 8.138 -0.352 1 1 875 . 9 1 1 A 97 97 TRP HA H 97 4.390 4.449 -0.059 1 1 879 . 9 1 1 A 97 97 TRP C C 97 178.500 179.059 -0.559 1 1 880 . 9 1 1 A 97 97 TRP CA C 97 60.831 60.150 0.681 1 1 881 . 9 1 1 A 97 97 TRP CB C 97 30.818 29.426 1.392 1 1 882 . 9 1 1 A 97 97 TRP N N 97 119.643 120.651 -1.008 1 1 884 . 9 1 1 A 98 98 VAL H H 98 8.604 8.148 0.456 1 1 885 . 9 1 1 A 98 98 VAL HA H 98 3.542 3.530 0.012 1 1 890 . 9 1 1 A 98 98 VAL CA C 98 68.434 67.664 0.770 1 1 891 . 9 1 1 A 98 98 VAL CB C 98 28.357 29.547 -1.190 1 1 892 . 9 1 1 A 98 98 VAL N N 98 116.894 119.961 -3.067 1 1 893 . 9 1 1 A 99 99 PRO HA H 99 3.932 4.192 -0.260 1 1 895 . 9 1 1 A 99 99 PRO C C 99 177.438 178.797 -1.359 1 1 896 . 9 1 1 A 99 99 PRO CA C 99 66.615 66.087 0.528 1 1 897 . 9 1 1 A 99 99 PRO CB C 99 30.600 30.441 0.159 1 1 899 . 9 1 1 A 100 100 GLU H H 100 7.538 7.918 -0.380 1 1 900 . 9 1 1 A 100 100 GLU HA H 100 4.219 4.249 -0.030 1 1 902 . 9 1 1 A 100 100 GLU C C 100 178.891 178.496 0.395 1 1 903 . 9 1 1 A 100 100 GLU CA C 100 60.795 59.668 1.127 1 1 904 . 9 1 1 A 100 100 GLU CB C 100 29.919 29.320 0.599 1 1 906 . 9 1 1 A 100 100 GLU N N 100 116.622 117.837 -1.215 1 1 907 . 9 1 1 A 101 101 ILE H H 101 8.331 7.513 0.818 1 1 908 . 9 1 1 A 101 101 ILE HA H 101 3.598 3.639 -0.041 1 1 909 . 9 1 1 A 101 101 ILE C C 101 177.812 177.612 0.200 1 1 910 . 9 1 1 A 101 101 ILE CA C 101 66.106 62.554 3.552 1 1 911 . 9 1 1 A 101 101 ILE CB C 101 35.806 37.740 -1.934 1 1 913 . 9 1 1 A 101 101 ILE N N 101 113.806 119.959 -6.153 1 1 914 . 9 1 1 A 102 102 THR H H 102 7.881 7.790 0.091 1 1 915 . 9 1 1 A 102 102 THR HA H 102 3.849 3.795 0.054 1 1 917 . 9 1 1 A 102 102 THR C C 102 175.953 176.760 -0.807 1 1 918 . 9 1 1 A 102 102 THR CA C 102 64.979 66.712 -1.733 1 1 919 . 9 1 1 A 102 102 THR CB C 102 69.609 68.178 1.431 1 1 920 . 9 1 1 A 102 102 THR N N 102 112.542 117.991 -5.449 1 1 921 . 9 1 1 A 103 103 HIS H H 103 7.598 7.573 0.025 1 1 922 . 9 1 1 A 103 103 HIS HA H 103 4.217 4.150 0.067 1 1 924 . 9 1 1 A 103 103 HIS C C 103 176.414 177.883 -1.469 1 1 925 . 9 1 1 A 103 103 HIS CA C 103 58.531 59.397 -0.866 1 1 926 . 9 1 1 A 103 103 HIS CB C 103 28.397 30.138 -1.741 1 1 927 . 9 1 1 A 103 103 HIS N N 103 118.843 119.442 -0.599 1 1 928 . 9 1 1 A 104 104 HIS H H 104 7.405 7.772 -0.367 1 1 929 . 9 1 1 A 104 104 HIS HA H 104 4.164 4.425 -0.261 1 1 932 . 9 1 1 A 104 104 HIS C C 104 176.660 175.255 1.405 1 1 933 . 9 1 1 A 104 104 HIS CA C 104 59.641 58.608 1.033 1 1 934 . 9 1 1 A 104 104 HIS CB C 104 33.363 29.890 3.473 1 1 935 . 9 1 1 A 104 104 HIS N N 104 113.791 116.559 -2.768 1 1 936 . 9 1 1 A 105 105 CYS H H 105 8.530 7.497 1.033 1 1 937 . 9 1 1 A 105 105 CYS HA H 105 5.015 4.674 0.341 1 1 940 . 9 1 1 A 105 105 CYS CA C 105 56.219 58.254 -2.035 1 1 941 . 9 1 1 A 105 105 CYS N N 105 117.178 114.467 2.711 1 1 942 . 9 1 1 A 106 106 PRO HA H 106 4.477 4.399 0.078 1 1 945 . 9 1 1 A 106 106 PRO C C 106 177.961 176.514 1.447 1 1 946 . 9 1 1 A 106 106 PRO CA C 106 64.735 64.437 0.298 1 1 947 . 9 1 1 A 106 106 PRO CB C 106 31.961 32.163 -0.202 1 1 949 . 9 1 1 A 107 107 LYS H H 107 8.769 7.825 0.944 1 1 950 . 9 1 1 A 107 107 LYS HA H 107 4.771 4.915 -0.144 1 1 955 . 9 1 1 A 107 107 LYS CA C 107 55.895 54.753 1.142 1 1 956 . 9 1 1 A 107 107 LYS CB C 107 31.160 36.216 -5.056 1 1 957 . 9 1 1 A 107 107 LYS N N 107 116.131 119.023 -2.892 1 1 958 . 9 1 1 A 108 108 THR H H 108 7.586 8.726 -1.140 1 1 959 . 9 1 1 A 108 108 THR N N 108 121.415 115.828 5.587 1 1 960 . 9 1 1 A 109 109 PRO HA H 109 4.529 4.820 -0.291 1 1 963 . 9 1 1 A 109 109 PRO C C 109 174.846 175.868 -1.022 1 1 964 . 9 1 1 A 109 109 PRO CA C 109 62.495 63.086 -0.591 1 1 965 . 9 1 1 A 109 109 PRO CB C 109 33.563 32.044 1.519 1 1 968 . 9 1 1 A 110 110 PHE H H 110 8.165 8.802 -0.637 1 1 969 . 9 1 1 A 110 110 PHE HA H 110 5.929 5.183 0.746 1 1 971 . 9 1 1 A 110 110 PHE C C 110 172.666 173.662 -0.996 1 1 972 . 9 1 1 A 110 110 PHE CA C 110 54.448 57.055 -2.607 1 1 973 . 9 1 1 A 110 110 PHE CB C 110 43.554 41.589 1.965 1 1 974 . 9 1 1 A 110 110 PHE N N 110 112.128 124.204 -12.076 1 1 975 . 9 1 1 A 111 111 LEU H H 111 8.633 8.427 0.206 1 1 976 . 9 1 1 A 111 111 LEU HA H 111 4.694 5.105 -0.411 1 1 979 . 9 1 1 A 111 111 LEU C C 111 175.472 173.582 1.890 1 1 980 . 9 1 1 A 111 111 LEU CA C 111 54.212 53.300 0.912 1 1 981 . 9 1 1 A 111 111 LEU CB C 111 43.831 45.426 -1.595 1 1 984 . 9 1 1 A 111 111 LEU N N 111 119.654 129.389 -9.735 1 1 985 . 9 1 1 A 112 112 LEU H H 112 8.061 8.614 -0.553 1 1 986 . 9 1 1 A 112 112 LEU HA H 112 5.363 5.071 0.292 1 1 992 . 9 1 1 A 112 112 LEU C C 112 173.631 175.031 -1.400 1 1 993 . 9 1 1 A 112 112 LEU CA C 112 53.826 53.477 0.349 1 1 994 . 9 1 1 A 112 112 LEU CB C 112 44.182 44.680 -0.498 1 1 996 . 9 1 1 A 112 112 LEU N N 112 121.946 129.002 -7.056 1 1 997 . 9 1 1 A 113 113 VAL H H 113 9.178 8.656 0.522 1 1 998 . 9 1 1 A 113 113 VAL HA H 113 4.878 4.781 0.097 1 1 1006 . 9 1 1 A 113 113 VAL C C 113 174.300 175.169 -0.869 1 1 1007 . 9 1 1 A 113 113 VAL CA C 113 59.695 60.583 -0.888 1 1 1008 . 9 1 1 A 113 113 VAL CB C 113 33.323 34.631 -1.308 1 1 1011 . 9 1 1 A 113 113 VAL N N 113 125.807 128.004 -2.197 1 1 1012 . 9 1 1 A 114 114 GLY H H 114 8.731 9.445 -0.714 1 1 1013 . 9 1 1 A 114 114 GLY HA2 H 114 3.688 3.863 -0.175 1 1 1014 . 9 1 1 A 114 114 GLY HA3 H 114 3.270 4.128 -0.858 1 1 1015 . 9 1 1 A 114 114 GLY C C 114 173.360 172.573 0.787 1 1 1016 . 9 1 1 A 114 114 GLY CA C 114 44.195 44.459 -0.264 1 1 1017 . 9 1 1 A 114 114 GLY N N 114 115.079 115.401 -0.322 1 1 1018 . 9 1 1 A 115 115 THR H H 115 9.181 8.036 1.145 1 1 1019 . 9 1 1 A 115 115 THR HA H 115 4.969 5.140 -0.171 1 1 1024 . 9 1 1 A 115 115 THR C C 115 175.355 173.786 1.569 1 1 1025 . 9 1 1 A 115 115 THR CA C 115 59.375 59.903 -0.528 1 1 1026 . 9 1 1 A 115 115 THR CB C 115 70.530 71.519 -0.989 1 1 1028 . 9 1 1 A 115 115 THR N N 115 115.613 114.795 0.818 1 1 1029 . 9 1 1 A 116 116 GLN H H 116 9.380 9.006 0.374 1 1 1030 . 9 1 1 A 116 116 GLN HA H 116 3.983 4.075 -0.092 1 1 1033 . 9 1 1 A 116 116 GLN C C 116 179.110 176.742 2.368 1 1 1034 . 9 1 1 A 116 116 GLN CA C 116 56.195 56.927 -0.732 1 1 1035 . 9 1 1 A 116 116 GLN CB C 116 23.911 28.234 -4.323 1 1 1037 . 9 1 1 A 116 116 GLN N N 116 108.468 120.485 -12.017 1 1 1038 . 9 1 1 A 117 117 ILE H H 117 7.635 7.873 -0.238 1 1 1039 . 9 1 1 A 117 117 ILE HA H 117 3.814 3.962 -0.148 1 1 1042 . 9 1 1 A 117 117 ILE C C 117 178.002 176.967 1.035 1 1 1043 . 9 1 1 A 117 117 ILE CA C 117 64.828 62.913 1.915 1 1 1044 . 9 1 1 A 117 117 ILE CB C 117 36.327 37.422 -1.095 1 1 1047 . 9 1 1 A 118 118 ASP H H 118 8.732 8.186 0.546 1 1 1048 . 9 1 1 A 118 118 ASP HA H 118 4.468 4.467 0.001 1 1 1051 . 9 1 1 A 118 118 ASP C C 118 176.888 178.793 -1.905 1 1 1052 . 9 1 1 A 118 118 ASP CA C 118 55.527 56.673 -1.146 1 1 1053 . 9 1 1 A 118 118 ASP CB C 118 40.482 40.411 0.071 1 1 1054 . 9 1 1 A 118 118 ASP N N 118 119.049 121.323 -2.274 1 1 1055 . 9 1 1 A 119 119 LEU H H 119 7.914 7.800 0.114 1 1 1056 . 9 1 1 A 119 119 LEU HA H 119 4.332 4.105 0.227 1 1 1066 . 9 1 1 A 119 119 LEU C C 119 178.015 178.574 -0.559 1 1 1067 . 9 1 1 A 119 119 LEU CA C 119 55.388 57.655 -2.267 1 1 1068 . 9 1 1 A 119 119 LEU CB C 119 41.573 41.618 -0.045 1 1 1071 . 9 1 1 A 119 119 LEU N N 119 117.783 121.978 -4.195 1 1 1072 . 9 1 1 A 120 120 ARG H H 120 7.256 8.166 -0.910 1 1 1073 . 9 1 1 A 120 120 ARG HA H 120 3.561 4.073 -0.512 1 1 1076 . 9 1 1 A 120 120 ARG C C 120 174.671 177.312 -2.641 1 1 1077 . 9 1 1 A 120 120 ARG CA C 120 60.041 58.959 1.082 1 1 1078 . 9 1 1 A 120 120 ARG CB C 120 30.079 29.809 0.270 1 1 1081 . 9 1 1 A 120 120 ARG N N 120 116.747 119.682 -2.935 1 1 1082 . 9 1 1 A 121 121 ASP H H 121 7.078 7.839 -0.761 1 1 1083 . 9 1 1 A 121 121 ASP HA H 121 4.802 4.777 0.025 1 1 1086 . 9 1 1 A 121 121 ASP C C 121 175.364 175.423 -0.059 1 1 1087 . 9 1 1 A 121 121 ASP CA C 121 52.775 53.222 -0.447 1 1 1088 . 9 1 1 A 121 121 ASP CB C 121 41.372 41.230 0.142 1 1 1089 . 9 1 1 A 121 121 ASP N N 121 111.544 117.429 -5.885 1 1 1090 . 9 1 1 A 122 122 ASP H H 122 7.246 7.577 -0.331 1 1 1091 . 9 1 1 A 122 122 ASP HA H 122 4.983 5.149 -0.166 1 1 1094 . 9 1 1 A 122 122 ASP CA C 122 51.575 51.214 0.361 1 1 1095 . 9 1 1 A 122 122 ASP CB C 122 43.576 41.430 2.146 1 1 1096 . 9 1 1 A 122 122 ASP N N 122 122.169 121.356 0.813 1 1 1097 . 9 1 1 A 123 123 PRO HA H 123 4.132 4.358 -0.226 1 1 1100 . 9 1 1 A 123 123 PRO C C 123 178.982 177.896 1.086 1 1 1101 . 9 1 1 A 123 123 PRO CA C 123 65.824 65.285 0.539 1 1 1102 . 9 1 1 A 123 123 PRO CB C 123 32.041 31.703 0.338 1 1 1104 . 9 1 1 A 124 124 SER H H 124 8.333 8.271 0.062 1 1 1105 . 9 1 1 A 124 124 SER HA H 124 4.762 4.226 0.536 1 1 1108 . 9 1 1 A 124 124 SER C C 124 176.716 177.257 -0.541 1 1 1109 . 9 1 1 A 124 124 SER CA C 124 62.073 61.008 1.065 1 1 1110 . 9 1 1 A 124 124 SER CB C 124 62.373 63.078 -0.705 1 1 1111 . 9 1 1 A 124 124 SER N N 124 112.482 111.973 0.509 1 1 1112 . 9 1 1 A 125 125 THR H H 125 7.921 7.718 0.203 1 1 1113 . 9 1 1 A 125 125 THR HA H 125 4.658 3.997 0.661 1 1 1118 . 9 1 1 A 125 125 THR C C 125 175.789 176.452 -0.663 1 1 1119 . 9 1 1 A 125 125 THR CA C 125 67.686 66.764 0.922 1 1 1121 . 9 1 1 A 125 125 THR N N 125 121.820 117.353 4.467 1 1 1122 . 9 1 1 A 126 126 ILE H H 126 8.234 8.336 -0.102 1 1 1123 . 9 1 1 A 126 126 ILE HA H 126 3.550 3.729 -0.179 1 1 1126 . 9 1 1 A 126 126 ILE C C 126 179.057 178.349 0.708 1 1 1127 . 9 1 1 A 126 126 ILE CA C 126 65.032 65.249 -0.217 1 1 1128 . 9 1 1 A 126 126 ILE CB C 126 37.064 37.549 -0.485 1 1 1132 . 9 1 1 A 126 126 ILE N N 126 121.486 121.005 0.481 1 1 1133 . 9 1 1 A 127 127 GLU H H 127 8.240 8.570 -0.330 1 1 1134 . 9 1 1 A 127 127 GLU HA H 127 4.165 3.921 0.244 1 1 1136 . 9 1 1 A 127 127 GLU C C 127 177.025 179.097 -2.072 1 1 1137 . 9 1 1 A 127 127 GLU CA C 127 59.326 59.870 -0.544 1 1 1138 . 9 1 1 A 127 127 GLU CB C 127 29.330 29.002 0.328 1 1 1140 . 9 1 1 A 127 127 GLU N N 127 120.249 121.420 -1.171 1 1 1141 . 9 1 1 A 128 128 LYS H H 128 7.919 7.418 0.501 1 1 1142 . 9 1 1 A 128 128 LYS HA H 128 3.978 4.065 -0.087 1 1 1146 . 9 1 1 A 128 128 LYS C C 128 179.838 179.289 0.549 1 1 1147 . 9 1 1 A 128 128 LYS CA C 128 59.938 59.438 0.500 1 1 1148 . 9 1 1 A 128 128 LYS CB C 128 31.691 32.538 -0.847 1 1 1152 . 9 1 1 A 128 128 LYS N N 128 120.679 119.181 1.498 1 1 1153 . 9 1 1 A 129 129 LEU H H 129 8.142 8.175 -0.033 1 1 1154 . 9 1 1 A 129 129 LEU HA H 129 4.128 4.156 -0.028 1 1 1160 . 9 1 1 A 129 129 LEU C C 129 179.701 178.780 0.921 1 1 1161 . 9 1 1 A 129 129 LEU CA C 129 57.904 57.595 0.309 1 1 1162 . 9 1 1 A 129 129 LEU CB C 129 41.674 40.700 0.974 1 1 1165 . 9 1 1 A 129 129 LEU N N 129 118.553 119.624 -1.071 1 1 1166 . 9 1 1 A 130 130 ALA H H 130 8.493 9.034 -0.541 1 1 1167 . 9 1 1 A 130 130 ALA HA H 130 4.286 3.981 0.305 1 1 1171 . 9 1 1 A 130 130 ALA C C 130 182.027 179.878 2.149 1 1 1172 . 9 1 1 A 130 130 ALA CA C 130 55.358 55.593 -0.235 1 1 1173 . 9 1 1 A 130 130 ALA CB C 130 17.069 18.356 -1.287 1 1 1174 . 9 1 1 A 130 130 ALA N N 130 122.578 121.831 0.747 1 1 1175 . 9 1 1 A 131 131 LYS H H 131 8.065 7.991 0.074 1 1 1176 . 9 1 1 A 131 131 LYS HA H 131 4.124 4.051 0.073 1 1 1180 . 9 1 1 A 131 131 LYS C C 131 177.085 178.362 -1.277 1 1 1181 . 9 1 1 A 131 131 LYS CA C 131 59.093 59.548 -0.455 1 1 1182 . 9 1 1 A 131 131 LYS CB C 131 31.782 32.229 -0.447 1 1 1186 . 9 1 1 A 131 131 LYS N N 131 120.347 117.593 2.754 1 1 1187 . 9 1 1 A 132 132 ASN H H 132 7.414 8.016 -0.602 1 1 1188 . 9 1 1 A 132 132 ASN HA H 132 4.983 4.825 0.158 1 1 1193 . 9 1 1 A 132 132 ASN C C 132 173.584 174.254 -0.670 1 1 1194 . 9 1 1 A 132 132 ASN CA C 132 52.195 52.810 -0.615 1 1 1195 . 9 1 1 A 132 132 ASN CB C 132 39.210 38.639 0.571 1 1 1196 . 9 1 1 A 132 132 ASN N N 132 115.667 114.879 0.788 1 1 1198 . 9 1 1 A 133 133 LYS H H 133 8.105 8.115 -0.010 1 1 1199 . 9 1 1 A 133 133 LYS HA H 133 3.956 3.934 0.022 1 1 1204 . 9 1 1 A 133 133 LYS C C 133 175.311 176.098 -0.787 1 1 1205 . 9 1 1 A 133 133 LYS CA C 133 57.317 57.178 0.139 1 1 1206 . 9 1 1 A 133 133 LYS CB C 133 28.397 29.198 -0.801 1 1 1210 . 9 1 1 A 133 133 LYS N N 133 113.900 115.135 -1.235 1 1 1211 . 9 1 1 A 134 134 GLN H H 134 8.107 8.419 -0.312 1 1 1212 . 9 1 1 A 134 134 GLN HA H 134 4.777 4.363 0.414 1 1 1218 . 9 1 1 A 134 134 GLN C C 134 174.870 176.421 -1.551 1 1 1219 . 9 1 1 A 134 134 GLN CA C 134 53.890 57.675 -3.785 1 1 1220 . 9 1 1 A 134 134 GLN CB C 134 33.095 29.765 3.330 1 1 1222 . 9 1 1 A 134 134 GLN N N 134 116.006 117.640 -1.634 1 1 1224 . 9 1 1 A 135 135 LYS H H 135 7.974 7.953 0.021 1 1 1225 . 9 1 1 A 135 135 LYS CA C 135 54.077 57.495 -3.418 1 1 1226 . 9 1 1 A 135 135 LYS CB C 135 33.433 31.445 1.988 1 1 1227 . 9 1 1 A 135 135 LYS N N 135 118.646 116.426 2.220 1 1 1228 . 9 1 1 A 136 136 PRO HA H 136 4.378 4.487 -0.109 1 1 1232 . 9 1 1 A 136 136 PRO C C 136 174.976 176.790 -1.814 1 1 1233 . 9 1 1 A 136 136 PRO CA C 136 62.255 62.757 -0.502 1 1 1234 . 9 1 1 A 136 136 PRO CB C 136 32.147 31.875 0.272 1 1 1237 . 9 1 1 A 137 137 ILE H H 137 9.147 8.008 1.139 1 1 1238 . 9 1 1 A 137 137 ILE HA H 137 3.918 4.212 -0.294 1 1 1245 . 9 1 1 A 137 137 ILE C C 137 176.126 176.631 -0.505 1 1 1246 . 9 1 1 A 137 137 ILE CA C 137 59.969 61.084 -1.115 1 1 1247 . 9 1 1 A 137 137 ILE CB C 137 36.848 38.065 -1.217 1 1 1248 . 9 1 1 A 137 137 ILE N N 137 122.234 123.473 -1.239 1 1 1249 . 9 1 1 A 138 138 THR H H 138 7.993 8.788 -0.795 1 1 1250 . 9 1 1 A 138 138 THR HA H 138 4.765 4.871 -0.106 1 1 1255 . 9 1 1 A 138 138 THR CA C 138 59.171 59.895 -0.724 1 1 1256 . 9 1 1 A 138 138 THR CB C 138 68.488 69.089 -0.601 1 1 1257 . 9 1 1 A 138 138 THR N N 138 118.389 117.744 0.645 1 1 1258 . 9 1 1 A 139 139 PRO HA H 139 4.071 4.327 -0.256 1 1 1261 . 9 1 1 A 139 139 PRO C C 139 177.838 178.270 -0.432 1 1 1262 . 9 1 1 A 139 139 PRO CA C 139 65.575 65.402 0.173 1 1 1263 . 9 1 1 A 139 139 PRO CB C 139 31.401 31.945 -0.544 1 1 1265 . 9 1 1 A 140 140 GLU H H 140 8.569 8.178 0.391 1 1 1266 . 9 1 1 A 140 140 GLU HA H 140 3.000 4.067 -1.067 1 1 1270 . 9 1 1 A 140 140 GLU C C 140 179.357 179.149 0.208 1 1 1271 . 9 1 1 A 140 140 GLU CA C 140 60.137 59.602 0.535 1 1 1272 . 9 1 1 A 140 140 GLU CB C 140 28.357 29.196 -0.839 1 1 1273 . 9 1 1 A 140 140 GLU N N 140 114.648 118.043 -3.395 1 1 1274 . 9 1 1 A 141 141 THR H H 141 7.579 7.698 -0.119 1 1 1275 . 9 1 1 A 141 141 THR HA H 141 3.811 3.919 -0.108 1 1 1280 . 9 1 1 A 141 141 THR C C 141 176.395 176.383 0.012 1 1 1281 . 9 1 1 A 141 141 THR CA C 141 66.113 66.538 -0.425 1 1 1282 . 9 1 1 A 141 141 THR CB C 141 68.569 68.478 0.091 1 1 1284 . 9 1 1 A 141 141 THR N N 141 118.215 116.915 1.300 1 1 1285 . 9 1 1 A 142 142 ALA H H 142 7.562 7.846 -0.284 1 1 1286 . 9 1 1 A 142 142 ALA HA H 142 3.866 4.391 -0.525 1 1 1290 . 9 1 1 A 142 142 ALA C C 142 178.302 179.641 -1.339 1 1 1291 . 9 1 1 A 142 142 ALA CA C 142 55.332 55.431 -0.099 1 1 1292 . 9 1 1 A 142 142 ALA CB C 142 16.606 18.456 -1.850 1 1 1293 . 9 1 1 A 142 142 ALA N N 142 125.491 123.384 2.107 1 1 1294 . 9 1 1 A 143 143 GLU H H 143 8.787 8.444 0.343 1 1 1295 . 9 1 1 A 143 143 GLU HA H 143 3.742 3.769 -0.027 1 1 1298 . 9 1 1 A 143 143 GLU C C 143 179.077 179.347 -0.270 1 1 1299 . 9 1 1 A 143 143 GLU CA C 143 59.590 59.257 0.333 1 1 1300 . 9 1 1 A 143 143 GLU CB C 143 28.998 28.871 0.127 1 1 1302 . 9 1 1 A 143 143 GLU N N 143 117.991 118.185 -0.194 1 1 1303 . 9 1 1 A 144 144 LYS H H 144 7.313 7.645 -0.332 1 1 1304 . 9 1 1 A 144 144 LYS HA H 144 3.950 4.176 -0.226 1 1 1307 . 9 1 1 A 144 144 LYS C C 144 177.781 178.781 -1.000 1 1 1308 . 9 1 1 A 144 144 LYS CA C 144 59.370 59.053 0.317 1 1 1309 . 9 1 1 A 144 144 LYS CB C 144 31.718 32.195 -0.477 1 1 1313 . 9 1 1 A 144 144 LYS N N 144 118.815 121.383 -2.568 1 1 1314 . 9 1 1 A 145 145 LEU H H 145 7.326 7.643 -0.317 1 1 1315 . 9 1 1 A 145 145 LEU HA H 145 4.153 4.024 0.129 1 1 1324 . 9 1 1 A 145 145 LEU C C 145 178.162 178.311 -0.149 1 1 1325 . 9 1 1 A 145 145 LEU CA C 145 57.834 57.758 0.076 1 1 1326 . 9 1 1 A 145 145 LEU CB C 145 40.432 41.127 -0.695 1 1 1329 . 9 1 1 A 145 145 LEU N N 145 119.589 121.360 -1.771 1 1 1330 . 9 1 1 A 146 146 ALA H H 146 8.482 7.457 1.025 1 1 1331 . 9 1 1 A 146 146 ALA HA H 146 3.705 4.105 -0.400 1 1 1335 . 9 1 1 A 146 146 ALA C C 146 178.574 179.703 -1.129 1 1 1336 . 9 1 1 A 146 146 ALA CA C 146 55.543 55.183 0.360 1 1 1337 . 9 1 1 A 146 146 ALA CB C 146 17.663 18.542 -0.879 1 1 1338 . 9 1 1 A 146 146 ALA N N 146 118.809 121.278 -2.469 1 1 1339 . 9 1 1 A 147 147 ARG H H 147 7.714 7.993 -0.279 1 1 1340 . 9 1 1 A 147 147 ARG HA H 147 4.175 4.186 -0.011 1 1 1344 . 9 1 1 A 147 147 ARG C C 147 180.165 176.725 3.440 1 1 1345 . 9 1 1 A 147 147 ARG CA C 147 58.995 58.142 0.853 1 1 1346 . 9 1 1 A 147 147 ARG CB C 147 29.657 30.095 -0.438 1 1 1349 . 9 1 1 A 147 147 ARG N N 147 116.011 118.936 -2.925 1 1 1350 . 9 1 1 A 148 148 ASP H H 148 8.461 7.933 0.528 1 1 1351 . 9 1 1 A 148 148 ASP HA H 148 4.324 4.726 -0.402 1 1 1354 . 9 1 1 A 148 148 ASP C C 148 178.284 177.154 1.130 1 1 1355 . 9 1 1 A 148 148 ASP CA C 148 57.501 54.852 2.649 1 1 1356 . 9 1 1 A 148 148 ASP CB C 148 40.172 42.183 -2.011 1 1 1357 . 9 1 1 A 148 148 ASP N N 148 121.913 118.559 3.354 1 1 1358 . 9 1 1 A 149 149 LEU H H 149 8.364 7.319 1.045 1 1 1359 . 9 1 1 A 149 149 LEU HA H 149 4.365 4.343 0.022 1 1 1368 . 9 1 1 A 149 149 LEU C C 149 174.985 175.846 -0.861 1 1 1369 . 9 1 1 A 149 149 LEU CA C 149 54.315 54.407 -0.092 1 1 1370 . 9 1 1 A 149 149 LEU CB C 149 41.373 41.807 -0.434 1 1 1373 . 9 1 1 A 149 149 LEU N N 149 115.324 116.565 -1.241 1 1 1374 . 9 1 1 A 150 150 LYS H H 150 7.624 7.938 -0.314 1 1 1375 . 9 1 1 A 150 150 LYS HA H 150 3.783 3.874 -0.091 1 1 1379 . 9 1 1 A 150 150 LYS C C 150 177.003 175.746 1.257 1 1 1380 . 9 1 1 A 150 150 LYS CA C 150 57.457 57.385 0.072 1 1 1381 . 9 1 1 A 150 150 LYS CB C 150 27.730 29.368 -1.638 1 1 1385 . 9 1 1 A 150 150 LYS N N 150 111.768 115.673 -3.905 1 1 1386 . 9 1 1 A 151 151 ALA H H 151 8.248 7.633 0.615 1 1 1387 . 9 1 1 A 151 151 ALA HA H 151 2.979 4.357 -1.378 1 1 1391 . 9 1 1 A 151 151 ALA C C 151 177.944 177.925 0.019 1 1 1392 . 9 1 1 A 151 151 ALA CA C 151 51.231 52.612 -1.381 1 1 1393 . 9 1 1 A 151 151 ALA CB C 151 19.707 19.738 -0.031 1 1 1394 . 9 1 1 A 151 151 ALA N N 151 119.649 120.292 -0.643 1 1 1395 . 9 1 1 A 152 152 VAL H H 152 8.684 8.812 -0.128 1 1 1396 . 9 1 1 A 152 152 VAL HA H 152 3.478 3.902 -0.424 1 1 1404 . 9 1 1 A 152 152 VAL C C 152 176.367 175.898 0.469 1 1 1405 . 9 1 1 A 152 152 VAL CA C 152 66.127 65.347 0.780 1 1 1406 . 9 1 1 A 152 152 VAL CB C 152 32.285 32.071 0.214 1 1 1409 . 9 1 1 A 152 152 VAL N N 152 120.805 122.867 -2.062 1 1 1410 . 9 1 1 A 153 153 LYS H H 153 6.865 7.592 -0.727 1 1 1411 . 9 1 1 A 153 153 LYS HA H 153 4.344 4.808 -0.464 1 1 1416 . 9 1 1 A 153 153 LYS C C 153 172.951 174.005 -1.054 1 1 1417 . 9 1 1 A 153 153 LYS CA C 153 55.049 55.739 -0.690 1 1 1418 . 9 1 1 A 153 153 LYS CB C 153 34.332 36.260 -1.928 1 1 1422 . 9 1 1 A 153 153 LYS N N 153 108.179 117.398 -9.219 1 1 1423 . 9 1 1 A 154 154 TYR H H 154 8.606 8.685 -0.079 1 1 1424 . 9 1 1 A 154 154 TYR HA H 154 5.761 6.206 -0.445 1 1 1426 . 9 1 1 A 154 154 TYR C C 154 174.216 174.741 -0.525 1 1 1427 . 9 1 1 A 154 154 TYR CA C 154 55.910 55.178 0.732 1 1 1428 . 9 1 1 A 154 154 TYR CB C 154 40.457 42.156 -1.699 1 1 1429 . 9 1 1 A 154 154 TYR N N 154 120.249 120.151 0.098 1 1 1430 . 9 1 1 A 155 155 VAL H H 155 8.271 8.792 -0.521 1 1 1431 . 9 1 1 A 155 155 VAL HA H 155 4.138 4.630 -0.492 1 1 1439 . 9 1 1 A 155 155 VAL C C 155 171.653 174.698 -3.045 1 1 1440 . 9 1 1 A 155 155 VAL CA C 155 58.344 60.118 -1.774 1 1 1441 . 9 1 1 A 155 155 VAL CB C 155 34.645 35.272 -0.627 1 1 1444 . 9 1 1 A 155 155 VAL N N 155 121.448 121.820 -0.372 1 1 1445 . 9 1 1 A 156 156 GLU H H 156 8.030 8.635 -0.605 1 1 1446 . 9 1 1 A 156 156 GLU HA H 156 5.393 5.001 0.392 1 1 1449 . 9 1 1 A 156 156 GLU C C 156 175.890 175.590 0.300 1 1 1450 . 9 1 1 A 156 156 GLU CA C 156 53.775 55.253 -1.478 1 1 1451 . 9 1 1 A 156 156 GLU CB C 156 31.521 31.390 0.131 1 1 1453 . 9 1 1 A 156 156 GLU N N 156 113.147 125.458 -12.311 1 1 1454 . 9 1 1 A 157 157 CYS H H 157 8.838 9.548 -0.710 1 1 1455 . 9 1 1 A 157 157 CYS HA H 157 5.324 5.179 0.145 1 1 1458 . 9 1 1 A 157 157 CYS C C 157 171.554 172.535 -0.981 1 1 1459 . 9 1 1 A 157 157 CYS CA C 157 55.749 57.163 -1.414 1 1 1460 . 9 1 1 A 157 157 CYS CB C 157 32.041 31.092 0.949 1 1 1461 . 9 1 1 A 157 157 CYS N N 157 111.910 122.165 -10.255 1 1 1462 . 9 1 1 A 158 158 SER H H 158 8.277 8.860 -0.583 1 1 1463 . 9 1 1 A 158 158 SER HA H 158 5.211 4.864 0.347 1 1 1466 . 9 1 1 A 158 158 SER C C 158 176.246 174.980 1.266 1 1 1467 . 9 1 1 A 158 158 SER CA C 158 55.892 56.278 -0.386 1 1 1468 . 9 1 1 A 158 158 SER CB C 158 65.035 64.794 0.241 1 1 1469 . 9 1 1 A 158 158 SER N N 158 110.284 118.694 -8.410 1 1 1470 . 9 1 1 A 159 159 ALA H H 159 9.297 9.059 0.238 1 1 1471 . 9 1 1 A 159 159 ALA HA H 159 4.210 4.107 0.103 1 1 1475 . 9 1 1 A 159 159 ALA C C 159 177.030 179.590 -2.560 1 1 1476 . 9 1 1 A 159 159 ALA CA C 159 54.522 54.815 -0.293 1 1 1477 . 9 1 1 A 159 159 ALA CB C 159 18.828 18.416 0.412 1 1 1478 . 9 1 1 A 159 159 ALA N N 159 132.318 130.917 1.401 1 1 1479 . 9 1 1 A 160 160 LEU H H 160 7.361 8.027 -0.666 1 1 1480 . 9 1 1 A 160 160 LEU HA H 160 3.307 4.343 -1.036 1 1 1485 . 9 1 1 A 160 160 LEU C C 160 177.619 176.197 1.422 1 1 1486 . 9 1 1 A 160 160 LEU CA C 160 57.497 57.540 -0.043 1 1 1487 . 9 1 1 A 160 160 LEU CB C 160 43.255 42.153 1.102 1 1 1490 . 9 1 1 A 160 160 LEU N N 160 118.308 120.424 -2.116 1 1 1491 . 9 1 1 A 161 161 THR H H 161 8.109 7.632 0.477 1 1 1492 . 9 1 1 A 161 161 THR HA H 161 4.218 4.708 -0.490 1 1 1497 . 9 1 1 A 161 161 THR C C 161 176.064 174.465 1.599 1 1 1498 . 9 1 1 A 161 161 THR CA C 161 61.435 59.264 2.171 1 1 1499 . 9 1 1 A 161 161 THR CB C 161 69.809 72.159 -2.350 1 1 1501 . 9 1 1 A 161 161 THR N N 161 106.273 107.755 -1.482 1 1 1502 . 9 1 1 A 162 162 GLN H H 162 7.457 8.733 -1.276 1 1 1503 . 9 1 1 A 162 162 GLN HA H 162 3.923 4.313 -0.390 1 1 1509 . 9 1 1 A 162 162 GLN C C 162 174.988 176.600 -1.612 1 1 1510 . 9 1 1 A 162 162 GLN CA C 162 59.015 57.477 1.538 1 1 1511 . 9 1 1 A 162 162 GLN CB C 162 25.425 28.343 -2.918 1 1 1513 . 9 1 1 A 162 162 GLN N N 162 112.744 119.084 -6.340 1 1 1515 . 9 1 1 A 163 163 LYS H H 163 7.831 7.644 0.187 1 1 1516 . 9 1 1 A 163 163 LYS HA H 163 4.163 4.352 -0.189 1 1 1519 . 9 1 1 A 163 163 LYS C C 163 177.322 177.520 -0.198 1 1 1520 . 9 1 1 A 163 163 LYS CA C 163 58.055 56.982 1.073 1 1 1521 . 9 1 1 A 163 163 LYS CB C 163 32.041 32.185 -0.144 1 1 1525 . 9 1 1 A 163 163 LYS N N 163 124.132 118.398 5.734 1 1 1526 . 9 1 1 A 164 164 GLY H H 164 9.133 7.627 1.506 1 1 1527 . 9 1 1 A 164 164 GLY HA2 H 164 4.293 3.799 0.494 1 1 1528 . 9 1 1 A 164 164 GLY HA3 H 164 3.860 3.811 0.049 1 1 1529 . 9 1 1 A 164 164 GLY C C 164 174.825 175.465 -0.640 1 1 1530 . 9 1 1 A 164 164 GLY CA C 164 46.375 46.718 -0.343 1 1 1531 . 9 1 1 A 164 164 GLY N N 164 114.473 108.782 5.691 1 1 1532 . 9 1 1 A 165 165 LEU H H 165 7.400 8.470 -1.070 1 1 1533 . 9 1 1 A 165 165 LEU HA H 165 3.792 4.290 -0.498 1 1 1538 . 9 1 1 A 165 165 LEU C C 165 176.722 179.321 -2.599 1 1 1539 . 9 1 1 A 165 165 LEU CA C 165 58.737 57.846 0.891 1 1 1540 . 9 1 1 A 165 165 LEU CB C 165 43.498 41.940 1.558 1 1 1543 . 9 1 1 A 165 165 LEU N N 165 121.187 122.288 -1.101 1 1 1544 . 9 1 1 A 166 166 LYS H H 166 8.580 8.001 0.579 1 1 1545 . 9 1 1 A 166 166 LYS HA H 166 4.151 4.055 0.096 1 1 1548 . 9 1 1 A 166 166 LYS C C 166 179.204 178.493 0.711 1 1 1549 . 9 1 1 A 166 166 LYS CA C 166 60.208 59.376 0.832 1 1 1550 . 9 1 1 A 166 166 LYS CB C 166 31.801 32.274 -0.473 1 1 1554 . 9 1 1 A 166 166 LYS N N 166 116.769 118.012 -1.243 1 1 1555 . 9 1 1 A 167 167 ASN H H 167 8.125 7.769 0.356 1 1 1556 . 9 1 1 A 167 167 ASN HA H 167 4.349 4.774 -0.425 1 1 1559 . 9 1 1 A 167 167 ASN C C 167 175.612 177.836 -2.224 1 1 1560 . 9 1 1 A 167 167 ASN CA C 167 56.686 55.179 1.507 1 1 1561 . 9 1 1 A 167 167 ASN CB C 167 38.650 39.307 -0.657 1 1 1562 . 9 1 1 A 167 167 ASN N N 167 114.773 117.099 -2.326 1 1 1563 . 9 1 1 A 168 168 VAL H H 168 7.365 8.020 -0.655 1 1 1564 . 9 1 1 A 168 168 VAL HA H 168 2.910 3.517 -0.607 1 1 1569 . 9 1 1 A 168 168 VAL C C 168 175.770 177.456 -1.686 1 1 1570 . 9 1 1 A 168 168 VAL CA C 168 67.103 66.058 1.045 1 1 1571 . 9 1 1 A 168 168 VAL CB C 168 30.845 31.586 -0.741 1 1 1574 . 9 1 1 A 168 168 VAL N N 168 117.042 120.329 -3.287 1 1 1575 . 9 1 1 A 169 169 PHE H H 169 6.368 7.740 -1.372 1 1 1576 . 9 1 1 A 169 169 PHE HA H 169 3.751 4.266 -0.515 1 1 1579 . 9 1 1 A 169 169 PHE C C 169 178.202 177.343 0.859 1 1 1580 . 9 1 1 A 169 169 PHE CA C 169 61.975 61.273 0.702 1 1 1581 . 9 1 1 A 169 169 PHE CB C 169 38.990 39.459 -0.469 1 1 1582 . 9 1 1 A 169 169 PHE N N 169 113.983 117.599 -3.616 1 1 1583 . 9 1 1 A 170 170 ASP H H 170 7.906 8.356 -0.450 1 1 1584 . 9 1 1 A 170 170 ASP HA H 170 4.338 4.377 -0.039 1 1 1586 . 9 1 1 A 170 170 ASP C C 170 178.596 178.834 -0.238 1 1 1587 . 9 1 1 A 170 170 ASP CA C 170 57.540 57.620 -0.080 1 1 1588 . 9 1 1 A 170 170 ASP CB C 170 39.481 41.722 -2.241 1 1 1589 . 9 1 1 A 170 170 ASP N N 170 120.793 121.412 -0.619 1 1 1590 . 9 1 1 A 171 171 GLU H H 171 8.048 7.564 0.484 1 1 1591 . 9 1 1 A 171 171 GLU HA H 171 3.989 4.019 -0.030 1 1 1594 . 9 1 1 A 171 171 GLU C C 171 179.405 178.922 0.483 1 1 1595 . 9 1 1 A 171 171 GLU CA C 171 58.130 58.906 -0.776 1 1 1596 . 9 1 1 A 171 171 GLU CB C 171 27.546 29.071 -1.525 1 1 1598 . 9 1 1 A 171 171 GLU N N 171 115.893 119.462 -3.569 1 1 1599 . 9 1 1 A 172 172 ALA H H 172 7.937 8.187 -0.250 1 1 1600 . 9 1 1 A 172 172 ALA HA H 172 3.759 3.971 -0.212 1 1 1604 . 9 1 1 A 172 172 ALA C C 172 177.968 180.241 -2.273 1 1 1605 . 9 1 1 A 172 172 ALA CA C 172 55.395 54.978 0.417 1 1 1606 . 9 1 1 A 172 172 ALA CB C 172 17.084 18.279 -1.195 1 1 1607 . 9 1 1 A 172 172 ALA N N 172 123.733 122.110 1.623 1 1 1608 . 9 1 1 A 173 173 ILE H H 173 7.645 7.416 0.229 1 1 1609 . 9 1 1 A 173 173 ILE HA H 173 3.314 3.764 -0.450 1 1 1615 . 9 1 1 A 173 173 ILE C C 173 177.082 178.667 -1.585 1 1 1616 . 9 1 1 A 173 173 ILE CA C 173 65.755 64.335 1.420 1 1 1617 . 9 1 1 A 173 173 ILE CB C 173 37.448 38.073 -0.625 1 1 1621 . 9 1 1 A 173 173 ILE N N 173 116.213 118.946 -2.733 1 1 1622 . 9 1 1 A 174 174 LEU H H 174 7.703 8.221 -0.518 1 1 1623 . 9 1 1 A 174 174 LEU HA H 174 3.760 3.908 -0.148 1 1 1629 . 9 1 1 A 174 174 LEU C C 174 179.847 179.054 0.793 1 1 1630 . 9 1 1 A 174 174 LEU CA C 174 58.049 57.949 0.100 1 1 1631 . 9 1 1 A 174 174 LEU CB C 174 40.973 41.307 -0.334 1 1 1634 . 9 1 1 A 174 174 LEU N N 174 116.496 119.259 -2.763 1 1 1635 . 9 1 1 A 175 175 ALA H H 175 7.927 8.219 -0.292 1 1 1636 . 9 1 1 A 175 175 ALA HA H 175 4.057 3.926 0.131 1 1 1640 . 9 1 1 A 175 175 ALA C C 175 178.605 179.680 -1.075 1 1 1641 . 9 1 1 A 175 175 ALA CA C 175 54.004 55.005 -1.001 1 1 1642 . 9 1 1 A 175 175 ALA CB C 175 18.464 18.238 0.226 1 1 1643 . 9 1 1 A 175 175 ALA N N 175 118.760 121.690 -2.930 1 1 1644 . 9 1 1 A 176 176 ALA H H 176 7.647 7.743 -0.096 1 1 1645 . 9 1 1 A 176 176 ALA HA H 176 4.035 4.044 -0.009 1 1 1649 . 9 1 1 A 176 176 ALA C C 176 178.284 179.793 -1.509 1 1 1650 . 9 1 1 A 176 176 ALA CA C 176 53.335 54.939 -1.604 1 1 1651 . 9 1 1 A 176 176 ALA CB C 176 18.985 17.877 1.108 1 1 1652 . 9 1 1 A 176 176 ALA N N 176 117.532 120.737 -3.205 1 1 1653 . 9 1 1 A 177 177 LEU H H 177 7.419 7.756 -0.337 1 1 1654 . 9 1 1 A 177 177 LEU HA H 177 4.210 3.949 0.261 1 1 1658 . 9 1 1 A 177 177 LEU C C 177 174.091 178.357 -4.266 1 1 1659 . 9 1 1 A 177 177 LEU CA C 177 55.035 57.474 -2.439 1 1 1660 . 9 1 1 A 177 177 LEU CB C 177 42.340 42.085 0.255 1 1 1663 . 9 1 1 A 177 177 LEU N N 177 115.220 120.089 -4.869 1 1 9 . 10 1 1 A 2 2 GLN H H 2 8.458 9.014 -0.556 1 1 10 . 10 1 1 A 2 2 GLN HA H 2 4.330 4.112 0.218 1 1 17 . 10 1 1 A 2 2 GLN C C 2 176.274 174.516 1.758 1 1 18 . 10 1 1 A 2 2 GLN CA C 2 55.806 57.238 -1.432 1 1 19 . 10 1 1 A 2 2 GLN CB C 2 32.011 28.189 3.822 1 1 21 . 10 1 1 A 2 2 GLN N N 2 121.530 122.034 -0.504 1 1 23 . 10 1 1 A 3 3 THR H H 3 7.618 7.645 -0.027 1 1 24 . 10 1 1 A 3 3 THR HA H 3 4.683 4.954 -0.271 1 1 29 . 10 1 1 A 3 3 THR C C 3 173.331 173.110 0.221 1 1 30 . 10 1 1 A 3 3 THR CA C 3 61.640 61.197 0.443 1 1 31 . 10 1 1 A 3 3 THR CB C 3 70.160 72.084 -1.924 1 1 33 . 10 1 1 A 3 3 THR N N 3 120.510 113.195 7.315 1 1 34 . 10 1 1 A 4 4 ILE H H 4 9.077 8.833 0.244 1 1 35 . 10 1 1 A 4 4 ILE HA H 4 4.418 4.681 -0.263 1 1 38 . 10 1 1 A 4 4 ILE C C 4 173.824 174.455 -0.631 1 1 39 . 10 1 1 A 4 4 ILE CA C 4 59.775 60.292 -0.517 1 1 40 . 10 1 1 A 4 4 ILE CB C 4 40.441 38.903 1.538 1 1 44 . 10 1 1 A 4 4 ILE N N 4 127.486 125.726 1.760 1 1 45 . 10 1 1 A 5 5 LYS H H 5 10.666 8.424 2.242 1 1 46 . 10 1 1 A 5 5 LYS HA H 5 4.773 4.797 -0.024 1 1 47 . 10 1 1 A 5 5 LYS C C 5 174.398 175.297 -0.899 1 1 48 . 10 1 1 A 5 5 LYS CA C 5 56.175 56.293 -0.118 1 1 49 . 10 1 1 A 5 5 LYS CB C 5 31.965 33.097 -1.132 1 1 52 . 10 1 1 A 5 5 LYS N N 5 131.626 128.539 3.087 1 1 53 . 10 1 1 A 6 6 CYS H H 6 9.473 8.989 0.484 1 1 54 . 10 1 1 A 6 6 CYS HA H 6 5.580 5.127 0.453 1 1 57 . 10 1 1 A 6 6 CYS C C 6 172.210 173.027 -0.817 1 1 58 . 10 1 1 A 6 6 CYS CA C 6 56.195 56.813 -0.618 1 1 59 . 10 1 1 A 6 6 CYS CB C 6 28.604 30.207 -1.603 1 1 60 . 10 1 1 A 6 6 CYS N N 6 131.522 127.815 3.707 1 1 61 . 10 1 1 A 7 7 VAL H H 7 7.607 8.963 -1.356 1 1 62 . 10 1 1 A 7 7 VAL HA H 7 5.014 4.724 0.290 1 1 70 . 10 1 1 A 7 7 VAL C C 7 174.077 174.704 -0.627 1 1 71 . 10 1 1 A 7 7 VAL CA C 7 60.575 61.283 -0.708 1 1 72 . 10 1 1 A 7 7 VAL CB C 7 33.100 33.980 -0.880 1 1 74 . 10 1 1 A 7 7 VAL N N 7 128.326 127.144 1.182 1 1 75 . 10 1 1 A 8 8 VAL H H 8 8.566 8.631 -0.065 1 1 76 . 10 1 1 A 8 8 VAL HA H 8 4.784 4.736 0.048 1 1 84 . 10 1 1 A 8 8 VAL C C 8 174.443 174.741 -0.298 1 1 85 . 10 1 1 A 8 8 VAL CA C 8 61.573 60.802 0.771 1 1 86 . 10 1 1 A 8 8 VAL CB C 8 32.367 33.630 -1.263 1 1 88 . 10 1 1 A 8 8 VAL N N 8 127.481 126.838 0.643 1 1 89 . 10 1 1 A 9 9 VAL H H 9 8.923 7.634 1.289 1 1 90 . 10 1 1 A 9 9 VAL HA H 9 4.419 4.661 -0.242 1 1 98 . 10 1 1 A 9 9 VAL C C 9 173.171 173.866 -0.695 1 1 99 . 10 1 1 A 9 9 VAL CA C 9 58.397 60.157 -1.760 1 1 100 . 10 1 1 A 9 9 VAL CB C 9 35.085 34.553 0.532 1 1 102 . 10 1 1 A 9 9 VAL N N 9 116.900 124.405 -7.505 1 1 103 . 10 1 1 A 10 10 GLY H H 10 6.267 8.499 -2.232 1 1 104 . 10 1 1 A 10 10 GLY HA2 H 10 4.159 4.183 -0.024 1 1 105 . 10 1 1 A 10 10 GLY HA3 H 10 1.722 4.310 -2.588 1 1 106 . 10 1 1 A 10 10 GLY C C 10 172.378 171.966 0.412 1 1 107 . 10 1 1 A 10 10 GLY CA C 10 42.935 45.033 -2.098 1 1 108 . 10 1 1 A 10 10 GLY N N 10 106.077 113.460 -7.383 1 1 109 . 10 1 1 A 11 11 ASP H H 11 8.399 9.010 -0.611 1 1 110 . 10 1 1 A 11 11 ASP HA H 11 4.737 4.954 -0.217 1 1 112 . 10 1 1 A 11 11 ASP C C 11 177.486 175.146 2.340 1 1 113 . 10 1 1 A 11 11 ASP CA C 11 55.635 53.951 1.684 1 1 114 . 10 1 1 A 11 11 ASP CB C 11 41.076 40.086 0.990 1 1 115 . 10 1 1 A 11 11 ASP N N 11 119.142 121.244 -2.102 1 1 116 . 10 1 1 A 12 12 GLY H H 12 8.902 8.064 0.838 1 1 117 . 10 1 1 A 12 12 GLY HA2 H 12 3.954 4.192 -0.238 1 1 118 . 10 1 1 A 12 12 GLY HA3 H 12 3.718 4.202 -0.484 1 1 119 . 10 1 1 A 12 12 GLY C C 12 173.624 174.328 -0.704 1 1 120 . 10 1 1 A 12 12 GLY CA C 12 46.955 45.767 1.188 1 1 121 . 10 1 1 A 12 12 GLY N N 12 104.688 111.656 -6.968 1 1 122 . 10 1 1 A 13 13 ALA H H 13 10.666 8.911 1.755 1 1 123 . 10 1 1 A 13 13 ALA HA H 13 4.067 4.231 -0.164 1 1 127 . 10 1 1 A 13 13 ALA CA C 13 53.455 53.521 -0.066 1 1 128 . 10 1 1 A 13 13 ALA CB C 13 15.706 18.745 -3.039 1 1 129 . 10 1 1 A 13 13 ALA N N 13 123.135 126.140 -3.005 1 1 130 . 10 1 1 A 14 14 VAL H H 14 7.663 7.747 -0.084 1 1 131 . 10 1 1 A 14 14 VAL HA H 14 4.146 3.690 0.456 1 1 132 . 10 1 1 A 14 14 VAL C C 14 175.007 177.694 -2.687 1 1 133 . 10 1 1 A 14 14 VAL CA C 14 62.015 66.247 -4.232 1 1 134 . 10 1 1 A 14 14 VAL N N 14 118.803 119.411 -0.608 1 1 135 . 10 1 1 A 15 15 GLY H H 15 8.686 8.182 0.504 1 1 136 . 10 1 1 A 15 15 GLY HA2 H 15 4.838 4.059 0.779 1 1 137 . 10 1 1 A 15 15 GLY HA3 H 15 4.312 4.067 0.245 1 1 138 . 10 1 1 A 15 15 GLY C C 15 175.934 175.169 0.765 1 1 139 . 10 1 1 A 15 15 GLY CA C 15 44.835 45.372 -0.537 1 1 140 . 10 1 1 A 15 15 GLY N N 15 110.360 108.698 1.662 1 1 141 . 10 1 1 A 16 16 LYS H H 16 10.352 7.938 2.414 1 1 142 . 10 1 1 A 16 16 LYS HA H 16 3.575 4.047 -0.472 1 1 143 . 10 1 1 A 16 16 LYS C C 16 176.582 178.865 -2.283 1 1 144 . 10 1 1 A 16 16 LYS CA C 16 60.695 58.541 2.154 1 1 145 . 10 1 1 A 16 16 LYS CB C 16 29.661 32.352 -2.691 1 1 146 . 10 1 1 A 16 16 LYS N N 16 125.835 121.009 4.826 1 1 147 . 10 1 1 A 17 17 THR H H 17 9.024 8.089 0.935 1 1 148 . 10 1 1 A 17 17 THR HA H 17 3.930 4.154 -0.224 1 1 153 . 10 1 1 A 17 17 THR C C 17 177.493 177.348 0.145 1 1 154 . 10 1 1 A 17 17 THR CA C 17 66.984 65.467 1.517 1 1 155 . 10 1 1 A 17 17 THR CB C 17 67.298 68.188 -0.890 1 1 157 . 10 1 1 A 17 17 THR N N 17 118.089 113.814 4.275 1 1 158 . 10 1 1 A 18 18 CYS H H 18 9.773 8.235 1.538 1 1 159 . 10 1 1 A 18 18 CYS HA H 18 3.580 4.144 -0.564 1 1 162 . 10 1 1 A 18 18 CYS C C 18 176.716 177.095 -0.379 1 1 163 . 10 1 1 A 18 18 CYS CA C 18 65.816 63.229 2.587 1 1 164 . 10 1 1 A 18 18 CYS CB C 18 27.655 27.236 0.419 1 1 165 . 10 1 1 A 18 18 CYS N N 18 119.747 120.454 -0.707 1 1 166 . 10 1 1 A 19 19 LEU H H 19 8.195 7.862 0.333 1 1 167 . 10 1 1 A 19 19 LEU HA H 19 3.940 4.141 -0.201 1 1 174 . 10 1 1 A 19 19 LEU C C 19 177.177 178.886 -1.709 1 1 175 . 10 1 1 A 19 19 LEU CA C 19 59.366 57.910 1.456 1 1 176 . 10 1 1 A 19 19 LEU CB C 19 41.377 41.602 -0.225 1 1 178 . 10 1 1 A 19 19 LEU N N 19 121.557 123.350 -1.793 1 1 179 . 10 1 1 A 20 20 LEU H H 20 7.270 7.660 -0.390 1 1 180 . 10 1 1 A 20 20 LEU HA H 20 3.840 4.126 -0.286 1 1 189 . 10 1 1 A 20 20 LEU C C 20 180.155 179.079 1.076 1 1 190 . 10 1 1 A 20 20 LEU CA C 20 57.629 57.863 -0.234 1 1 191 . 10 1 1 A 20 20 LEU CB C 20 41.498 41.827 -0.329 1 1 194 . 10 1 1 A 20 20 LEU N N 20 117.986 117.724 0.262 1 1 195 . 10 1 1 A 21 21 ILE H H 21 8.619 7.892 0.727 1 1 196 . 10 1 1 A 21 21 ILE HA H 21 3.090 3.549 -0.459 1 1 202 . 10 1 1 A 21 21 ILE C C 21 179.125 177.819 1.306 1 1 203 . 10 1 1 A 21 21 ILE CA C 21 66.129 64.892 1.237 1 1 204 . 10 1 1 A 21 21 ILE CB C 21 38.338 37.355 0.983 1 1 208 . 10 1 1 A 21 21 ILE N N 21 121.078 120.819 0.259 1 1 209 . 10 1 1 A 22 22 SER H H 22 8.899 8.216 0.683 1 1 210 . 10 1 1 A 22 22 SER HA H 22 4.517 4.181 0.336 1 1 213 . 10 1 1 A 22 22 SER C C 22 176.876 176.092 0.784 1 1 214 . 10 1 1 A 22 22 SER CA C 22 61.380 62.802 -1.422 1 1 215 . 10 1 1 A 22 22 SER CB C 22 63.882 63.679 0.203 1 1 216 . 10 1 1 A 22 22 SER N N 22 118.286 116.198 2.088 1 1 217 . 10 1 1 A 23 23 TYR H H 23 7.951 7.406 0.545 1 1 218 . 10 1 1 A 23 23 TYR HA H 23 4.264 4.222 0.042 1 1 223 . 10 1 1 A 23 23 TYR C C 23 176.820 177.453 -0.633 1 1 224 . 10 1 1 A 23 23 TYR CA C 23 60.474 61.639 -1.165 1 1 225 . 10 1 1 A 23 23 TYR CB C 23 39.531 38.959 0.572 1 1 226 . 10 1 1 A 23 23 TYR N N 23 117.292 123.373 -6.081 1 1 227 . 10 1 1 A 24 24 THR H H 24 7.702 8.340 -0.638 1 1 228 . 10 1 1 A 24 24 THR HA H 24 3.614 4.070 -0.456 1 1 233 . 10 1 1 A 24 24 THR C C 24 176.500 175.649 0.851 1 1 234 . 10 1 1 A 24 24 THR CA C 24 64.095 66.079 -1.984 1 1 235 . 10 1 1 A 24 24 THR CB C 24 70.437 68.523 1.914 1 1 237 . 10 1 1 A 24 24 THR N N 24 105.659 114.942 -9.283 1 1 238 . 10 1 1 A 25 25 THR H H 25 8.080 7.865 0.215 1 1 239 . 10 1 1 A 25 25 THR HA H 25 4.556 4.442 0.114 1 1 244 . 10 1 1 A 25 25 THR C C 25 175.025 174.346 0.679 1 1 245 . 10 1 1 A 25 25 THR CA C 25 61.975 61.344 0.631 1 1 246 . 10 1 1 A 25 25 THR CB C 25 72.012 71.125 0.887 1 1 248 . 10 1 1 A 25 25 THR N N 25 109.689 106.568 3.121 1 1 249 . 10 1 1 A 26 26 ASN H H 26 7.603 8.277 -0.674 1 1 250 . 10 1 1 A 26 26 ASN HA H 26 4.501 4.957 -0.456 1 1 253 . 10 1 1 A 26 26 ASN C C 26 173.259 173.916 -0.657 1 1 254 . 10 1 1 A 26 26 ASN CA C 26 55.218 54.124 1.094 1 1 255 . 10 1 1 A 26 26 ASN CB C 26 38.009 37.361 0.648 1 1 256 . 10 1 1 A 26 26 ASN N N 26 115.569 116.254 -0.685 1 1 257 . 10 1 1 A 27 27 LYS H H 27 7.698 8.655 -0.957 1 1 258 . 10 1 1 A 27 27 LYS HA H 27 4.431 4.088 0.343 1 1 261 . 10 1 1 A 27 27 LYS C C 27 173.500 175.254 -1.754 1 1 262 . 10 1 1 A 27 27 LYS CA C 27 55.163 55.079 0.084 1 1 263 . 10 1 1 A 27 27 LYS CB C 27 35.034 32.895 2.139 1 1 267 . 10 1 1 A 27 27 LYS N N 27 118.253 123.181 -4.928 1 1 268 . 10 1 1 A 28 28 PHE H H 28 8.554 6.913 1.641 1 1 269 . 10 1 1 A 28 28 PHE CA C 28 55.575 61.007 -5.432 1 1 270 . 10 1 1 A 28 28 PHE CB C 28 39.322 37.781 1.541 1 1 271 . 10 1 1 A 28 28 PHE N N 28 125.682 122.447 3.235 1 1 272 . 10 1 1 A 29 29 PRO HA H 29 4.373 4.282 0.091 1 1 274 . 10 1 1 A 29 29 PRO C C 29 173.611 177.504 -3.893 1 1 275 . 10 1 1 A 29 29 PRO CA C 29 61.978 65.942 -3.964 1 1 276 . 10 1 1 A 29 29 PRO CB C 29 30.039 30.720 -0.681 1 1 279 . 10 1 1 A 30 30 SER H H 30 7.993 8.154 -0.161 1 1 280 . 10 1 1 A 30 30 SER HA H 30 4.285 4.473 -0.188 1 1 283 . 10 1 1 A 30 30 SER C C 30 174.665 174.400 0.265 1 1 284 . 10 1 1 A 30 30 SER CA C 30 58.948 59.653 -0.705 1 1 285 . 10 1 1 A 30 30 SER CB C 30 64.019 61.681 2.338 1 1 286 . 10 1 1 A 30 30 SER N N 30 116.682 114.230 2.452 1 1 287 . 10 1 1 A 31 31 GLU H H 31 8.198 10.079 -1.881 1 1 288 . 10 1 1 A 31 31 GLU HA H 31 4.308 3.921 0.387 1 1 292 . 10 1 1 A 31 31 GLU C C 31 175.157 175.244 -0.087 1 1 293 . 10 1 1 A 31 31 GLU CA C 31 56.846 59.108 -2.262 1 1 294 . 10 1 1 A 31 31 GLU CB C 31 30.113 28.175 1.938 1 1 296 . 10 1 1 A 31 31 GLU N N 31 120.151 116.753 3.398 1 1 297 . 10 1 1 A 32 32 TYR H H 32 7.714 8.787 -1.073 1 1 298 . 10 1 1 A 32 32 TYR HA H 32 4.407 4.879 -0.472 1 1 302 . 10 1 1 A 32 32 TYR C C 32 173.544 175.212 -1.668 1 1 303 . 10 1 1 A 32 32 TYR CA C 32 58.368 56.491 1.877 1 1 304 . 10 1 1 A 32 32 TYR CB C 32 38.614 40.085 -1.471 1 1 305 . 10 1 1 A 32 32 TYR N N 32 118.548 120.337 -1.789 1 1 306 . 10 1 1 A 33 33 VAL H H 33 7.764 8.058 -0.294 1 1 307 . 10 1 1 A 33 33 VAL HA H 33 4.048 4.237 -0.189 1 1 315 . 10 1 1 A 33 33 VAL CA C 33 58.575 60.819 -2.244 1 1 316 . 10 1 1 A 33 33 VAL CB C 33 33.600 31.411 2.189 1 1 317 . 10 1 1 A 33 33 VAL N N 33 125.992 123.574 2.418 1 1 318 . 10 1 1 A 34 34 PRO HA H 34 4.215 4.474 -0.259 1 1 320 . 10 1 1 A 34 34 PRO C C 34 175.627 177.264 -1.637 1 1 321 . 10 1 1 A 34 34 PRO CA C 34 61.655 63.006 -1.351 1 1 322 . 10 1 1 A 34 34 PRO CB C 34 31.965 32.489 -0.524 1 1 325 . 10 1 1 A 35 35 ALA H H 35 8.503 8.623 -0.120 1 1 326 . 10 1 1 A 35 35 ALA HA H 35 4.190 4.131 0.059 1 1 330 . 10 1 1 A 35 35 ALA C C 35 178.295 177.345 0.950 1 1 331 . 10 1 1 A 35 35 ALA CA C 35 54.499 54.413 0.086 1 1 332 . 10 1 1 A 35 35 ALA CB C 35 18.235 19.345 -1.110 1 1 333 . 10 1 1 A 35 35 ALA N N 35 123.063 124.386 -1.323 1 1 334 . 10 1 1 A 36 36 VAL H H 36 8.032 7.382 0.650 1 1 335 . 10 1 1 A 36 36 VAL HA H 36 4.258 4.690 -0.432 1 1 340 . 10 1 1 A 36 36 VAL CA C 36 60.200 58.972 1.228 1 1 341 . 10 1 1 A 36 36 VAL CB C 36 29.879 35.297 -5.418 1 1 342 . 10 1 1 A 36 36 VAL N N 36 116.770 111.597 5.173 1 1 344 . 10 1 1 A 37 37 PHE C C 37 174.502 174.803 -0.301 1 1 345 . 10 1 1 A 37 37 PHE CA C 37 56.175 56.673 -0.498 1 1 346 . 10 1 1 A 37 37 PHE CB C 37 40.231 39.436 0.795 1 1 347 . 10 1 1 A 38 38 ASP H H 38 7.602 9.025 -1.423 1 1 348 . 10 1 1 A 38 38 ASP HA H 38 4.343 5.182 -0.839 1 1 351 . 10 1 1 A 38 38 ASP C C 38 174.386 175.083 -0.697 1 1 352 . 10 1 1 A 38 38 ASP CA C 38 54.323 52.726 1.597 1 1 353 . 10 1 1 A 38 38 ASP CB C 38 40.815 44.224 -3.409 1 1 354 . 10 1 1 A 38 38 ASP N N 38 125.774 124.108 1.666 1 1 355 . 10 1 1 A 39 39 ASN H H 39 7.917 8.523 -0.606 1 1 356 . 10 1 1 A 39 39 ASN HA H 39 4.303 4.679 -0.376 1 1 360 . 10 1 1 A 39 39 ASN C C 39 173.897 175.117 -1.220 1 1 361 . 10 1 1 A 39 39 ASN CA C 39 54.317 53.385 0.932 1 1 362 . 10 1 1 A 39 39 ASN CB C 39 38.180 38.658 -0.478 1 1 363 . 10 1 1 A 39 39 ASN N N 39 117.429 119.498 -2.069 1 1 365 . 10 1 1 A 40 40 TYR H H 40 7.726 8.915 -1.189 1 1 366 . 10 1 1 A 40 40 TYR HA H 40 4.513 5.278 -0.765 1 1 370 . 10 1 1 A 40 40 TYR C C 40 172.772 174.801 -2.029 1 1 371 . 10 1 1 A 40 40 TYR CA C 40 57.335 56.819 0.516 1 1 372 . 10 1 1 A 40 40 TYR CB C 40 42.956 42.288 0.668 1 1 373 . 10 1 1 A 40 40 TYR N N 40 122.998 120.672 2.326 1 1 374 . 10 1 1 A 41 41 ALA H H 41 7.651 8.854 -1.203 1 1 375 . 10 1 1 A 41 41 ALA HA H 41 5.636 5.515 0.121 1 1 379 . 10 1 1 A 41 41 ALA C C 41 175.778 175.397 0.381 1 1 380 . 10 1 1 A 41 41 ALA CA C 41 50.456 49.777 0.679 1 1 381 . 10 1 1 A 41 41 ALA CB C 41 20.492 23.017 -2.525 1 1 382 . 10 1 1 A 41 41 ALA N N 41 127.028 124.155 2.873 1 1 383 . 10 1 1 A 42 42 VAL H H 42 8.781 8.542 0.239 1 1 384 . 10 1 1 A 42 42 VAL HA H 42 4.564 4.931 -0.367 1 1 389 . 10 1 1 A 42 42 VAL C C 42 173.852 173.671 0.181 1 1 390 . 10 1 1 A 42 42 VAL CA C 42 59.278 59.928 -0.650 1 1 391 . 10 1 1 A 42 42 VAL CB C 42 35.342 35.937 -0.595 1 1 393 . 10 1 1 A 42 42 VAL N N 42 117.471 118.629 -1.158 1 1 394 . 10 1 1 A 43 43 THR H H 43 8.566 8.793 -0.227 1 1 395 . 10 1 1 A 43 43 THR HA H 43 5.124 4.988 0.136 1 1 400 . 10 1 1 A 43 43 THR C C 43 174.210 173.972 0.238 1 1 401 . 10 1 1 A 43 43 THR CA C 43 62.434 62.048 0.386 1 1 402 . 10 1 1 A 43 43 THR CB C 43 69.296 70.315 -1.019 1 1 404 . 10 1 1 A 43 43 THR N N 43 120.850 123.016 -2.166 1 1 405 . 10 1 1 A 44 44 VAL H H 44 9.442 8.899 0.543 1 1 406 . 10 1 1 A 44 44 VAL HA H 44 4.367 4.743 -0.376 1 1 411 . 10 1 1 A 44 44 VAL C C 44 174.061 174.065 -0.004 1 1 412 . 10 1 1 A 44 44 VAL CA C 44 60.639 61.023 -0.384 1 1 413 . 10 1 1 A 44 44 VAL CB C 44 35.053 34.514 0.539 1 1 415 . 10 1 1 A 44 44 VAL N N 44 127.764 126.838 0.926 1 1 416 . 10 1 1 A 45 45 MET H H 45 8.513 9.188 -0.675 1 1 417 . 10 1 1 A 45 45 MET HA H 45 5.272 5.154 0.118 1 1 421 . 10 1 1 A 45 45 MET C C 45 176.395 175.003 1.392 1 1 422 . 10 1 1 A 45 45 MET CA C 45 53.264 54.016 -0.752 1 1 423 . 10 1 1 A 45 45 MET CB C 45 31.692 35.761 -4.069 1 1 424 . 10 1 1 A 45 45 MET N N 45 123.063 127.687 -4.624 1 1 425 . 10 1 1 A 46 46 ILE H H 46 9.103 8.792 0.311 1 1 426 . 10 1 1 A 46 46 ILE HA H 46 4.382 4.719 -0.337 1 1 434 . 10 1 1 A 46 46 ILE C C 46 177.661 177.442 0.219 1 1 435 . 10 1 1 A 46 46 ILE CA C 46 59.755 59.662 0.093 1 1 436 . 10 1 1 A 46 46 ILE CB C 46 38.913 41.071 -2.158 1 1 440 . 10 1 1 A 46 46 ILE N N 46 125.267 125.659 -0.392 1 1 441 . 10 1 1 A 47 47 GLY H H 47 9.385 9.071 0.314 1 1 442 . 10 1 1 A 47 47 GLY HA2 H 47 4.755 3.871 0.884 1 1 443 . 10 1 1 A 47 47 GLY HA3 H 47 3.851 3.872 -0.021 1 1 444 . 10 1 1 A 47 47 GLY C C 47 175.195 176.198 -1.003 1 1 445 . 10 1 1 A 47 47 GLY CA C 47 47.015 47.359 -0.344 1 1 446 . 10 1 1 A 47 47 GLY N N 47 119.278 114.037 5.241 1 1 447 . 10 1 1 A 48 48 GLY H H 48 8.606 8.276 0.330 1 1 448 . 10 1 1 A 48 48 GLY HA2 H 48 4.140 3.856 0.284 1 1 449 . 10 1 1 A 48 48 GLY HA3 H 48 3.623 3.895 -0.272 1 1 450 . 10 1 1 A 48 48 GLY C C 48 172.844 173.904 -1.060 1 1 451 . 10 1 1 A 48 48 GLY CA C 48 44.889 46.637 -1.748 1 1 452 . 10 1 1 A 48 48 GLY N N 48 104.656 109.411 -4.755 1 1 453 . 10 1 1 A 49 49 GLU H H 49 7.722 8.328 -0.606 1 1 454 . 10 1 1 A 49 49 GLU HA H 49 4.182 4.771 -0.589 1 1 457 . 10 1 1 A 49 49 GLU CA C 49 52.336 53.099 -0.763 1 1 458 . 10 1 1 A 49 49 GLU CB C 49 31.160 30.842 0.318 1 1 459 . 10 1 1 A 49 49 GLU N N 49 120.543 118.626 1.917 1 1 460 . 10 1 1 A 50 50 PRO HA H 50 4.977 4.795 0.182 1 1 462 . 10 1 1 A 50 50 PRO C C 50 177.922 175.127 2.795 1 1 463 . 10 1 1 A 50 50 PRO CA C 50 62.080 62.409 -0.329 1 1 464 . 10 1 1 A 50 50 PRO CB C 50 32.147 32.411 -0.264 1 1 465 . 10 1 1 A 51 51 TYR H H 51 9.148 8.383 0.765 1 1 466 . 10 1 1 A 51 51 TYR HA H 51 4.683 5.317 -0.634 1 1 470 . 10 1 1 A 51 51 TYR C C 51 176.400 174.651 1.749 1 1 471 . 10 1 1 A 51 51 TYR CA C 51 57.344 56.552 0.792 1 1 472 . 10 1 1 A 51 51 TYR CB C 51 41.669 43.859 -2.190 1 1 473 . 10 1 1 A 51 51 TYR N N 51 121.300 123.524 -2.224 1 1 474 . 10 1 1 A 52 52 THR H H 52 8.889 9.095 -0.206 1 1 475 . 10 1 1 A 52 52 THR HA H 52 4.113 5.149 -1.036 1 1 477 . 10 1 1 A 52 52 THR C C 52 172.149 172.536 -0.387 1 1 478 . 10 1 1 A 52 52 THR CA C 52 62.400 59.693 2.707 1 1 479 . 10 1 1 A 52 52 THR CB C 52 69.447 71.856 -2.409 1 1 481 . 10 1 1 A 52 52 THR N N 52 119.482 112.981 6.501 1 1 482 . 10 1 1 A 53 53 LEU H H 53 9.480 9.054 0.426 1 1 483 . 10 1 1 A 53 53 LEU HA H 53 5.030 5.231 -0.201 1 1 491 . 10 1 1 A 53 53 LEU C C 53 174.307 175.199 -0.892 1 1 492 . 10 1 1 A 53 53 LEU CA C 53 53.375 53.855 -0.480 1 1 493 . 10 1 1 A 53 53 LEU CB C 53 44.216 45.360 -1.144 1 1 496 . 10 1 1 A 53 53 LEU N N 53 131.364 124.045 7.319 1 1 497 . 10 1 1 A 54 54 GLY H H 54 9.749 9.416 0.333 1 1 498 . 10 1 1 A 54 54 GLY HA2 H 54 4.571 4.025 0.546 1 1 499 . 10 1 1 A 54 54 GLY HA3 H 54 3.577 4.169 -0.592 1 1 500 . 10 1 1 A 54 54 GLY C C 54 171.929 171.717 0.212 1 1 501 . 10 1 1 A 54 54 GLY CA C 54 45.195 44.858 0.337 1 1 502 . 10 1 1 A 54 54 GLY N N 54 115.640 114.977 0.663 1 1 503 . 10 1 1 A 55 55 LEU H H 55 8.623 8.459 0.164 1 1 504 . 10 1 1 A 55 55 LEU HA H 55 5.104 5.164 -0.060 1 1 510 . 10 1 1 A 55 55 LEU C C 55 176.000 174.155 1.845 1 1 511 . 10 1 1 A 55 55 LEU CA C 55 54.202 53.023 1.179 1 1 512 . 10 1 1 A 55 55 LEU CB C 55 44.057 44.388 -0.331 1 1 515 . 10 1 1 A 55 55 LEU N N 55 125.141 125.373 -0.232 1 1 516 . 10 1 1 A 56 56 PHE H H 56 8.735 8.643 0.092 1 1 517 . 10 1 1 A 56 56 PHE HA H 56 4.821 5.357 -0.536 1 1 521 . 10 1 1 A 56 56 PHE C C 56 173.130 174.205 -1.075 1 1 522 . 10 1 1 A 56 56 PHE CA C 56 56.833 56.308 0.525 1 1 523 . 10 1 1 A 56 56 PHE CB C 56 40.776 43.486 -2.710 1 1 524 . 10 1 1 A 56 56 PHE N N 56 122.065 125.707 -3.642 1 1 525 . 10 1 1 A 57 57 ASP H H 57 9.093 8.554 0.539 1 1 526 . 10 1 1 A 57 57 ASP HA H 57 4.877 5.092 -0.215 1 1 529 . 10 1 1 A 57 57 ASP C C 57 175.941 174.728 1.213 1 1 530 . 10 1 1 A 57 57 ASP CA C 57 51.755 53.346 -1.591 1 1 531 . 10 1 1 A 57 57 ASP CB C 57 43.082 44.898 -1.816 1 1 532 . 10 1 1 A 57 57 ASP N N 57 124.050 120.465 3.585 1 1 533 . 10 1 1 A 58 58 THR H H 58 8.621 8.640 -0.019 1 1 534 . 10 1 1 A 58 58 THR HA H 58 3.905 4.597 -0.692 1 1 535 . 10 1 1 A 58 58 THR C C 58 172.124 174.886 -2.762 1 1 536 . 10 1 1 A 58 58 THR CA C 58 60.335 61.381 -1.046 1 1 537 . 10 1 1 A 58 58 THR CB C 58 74.469 70.158 4.311 1 1 538 . 10 1 1 A 58 58 THR N N 58 109.327 115.723 -6.396 1 1 539 . 10 1 1 A 59 59 ALA H H 59 8.695 8.928 -0.233 1 1 540 . 10 1 1 A 59 59 ALA HA H 59 4.565 4.617 -0.052 1 1 544 . 10 1 1 A 59 59 ALA CA C 59 50.475 51.072 -0.597 1 1 545 . 10 1 1 A 59 59 ALA CB C 59 18.224 19.816 -1.592 1 1 546 . 10 1 1 A 59 59 ALA N N 59 123.129 125.083 -1.954 1 1 547 . 10 1 1 A 60 60 GLY H H 60 8.630 8.498 0.132 1 1 548 . 10 1 1 A 60 60 GLY HA2 H 60 4.420 3.371 1.049 1 1 549 . 10 1 1 A 60 60 GLY HA3 H 60 3.902 3.601 0.301 1 1 550 . 10 1 1 A 60 60 GLY C C 60 173.122 175.230 -2.108 1 1 551 . 10 1 1 A 60 60 GLY CA C 60 46.178 47.108 -0.930 1 1 552 . 10 1 1 A 60 60 GLY N N 60 109.449 106.219 3.230 1 1 553 . 10 1 1 A 61 61 GLN H H 61 8.553 7.578 0.975 1 1 554 . 10 1 1 A 61 61 GLN HA H 61 4.492 4.395 0.097 1 1 560 . 10 1 1 A 61 61 GLN C C 61 177.014 175.587 1.427 1 1 561 . 10 1 1 A 61 61 GLN CA C 61 56.895 56.826 0.069 1 1 562 . 10 1 1 A 61 61 GLN CB C 61 28.863 29.370 -0.507 1 1 564 . 10 1 1 A 61 61 GLN N N 61 118.471 118.883 -0.412 1 1 566 . 10 1 1 A 62 62 GLU H H 62 9.082 8.799 0.283 1 1 567 . 10 1 1 A 62 62 GLU HA H 62 4.292 4.477 -0.185 1 1 570 . 10 1 1 A 62 62 GLU C C 62 178.273 177.831 0.442 1 1 571 . 10 1 1 A 62 62 GLU CA C 62 58.361 57.246 1.115 1 1 572 . 10 1 1 A 62 62 GLU CB C 62 28.579 31.300 -2.721 1 1 574 . 10 1 1 A 62 62 GLU N N 62 122.087 123.116 -1.029 1 1 575 . 10 1 1 A 63 63 ASP H H 63 8.636 8.330 0.306 1 1 576 . 10 1 1 A 63 63 ASP HA H 63 4.348 4.239 0.109 1 1 579 . 10 1 1 A 63 63 ASP C C 63 176.712 178.226 -1.514 1 1 580 . 10 1 1 A 63 63 ASP CA C 63 55.587 57.518 -1.931 1 1 581 . 10 1 1 A 63 63 ASP CB C 63 39.571 40.570 -0.999 1 1 582 . 10 1 1 A 63 63 ASP N N 63 117.009 119.790 -2.781 1 1 583 . 10 1 1 A 64 64 TYR H H 64 8.061 8.598 -0.537 1 1 584 . 10 1 1 A 64 64 TYR HA H 64 4.609 4.363 0.246 1 1 587 . 10 1 1 A 64 64 TYR C C 64 176.254 175.876 0.378 1 1 588 . 10 1 1 A 64 64 TYR CA C 64 58.231 59.527 -1.296 1 1 589 . 10 1 1 A 64 64 TYR CB C 64 38.650 37.488 1.162 1 1 590 . 10 1 1 A 64 64 TYR N N 64 117.063 117.876 -0.813 1 1 591 . 10 1 1 A 65 65 ASP H H 65 8.064 8.697 -0.633 1 1 592 . 10 1 1 A 65 65 ASP HA H 65 4.439 4.124 0.315 1 1 594 . 10 1 1 A 65 65 ASP C C 65 175.163 177.512 -2.349 1 1 595 . 10 1 1 A 65 65 ASP CA C 65 57.971 53.745 4.226 1 1 596 . 10 1 1 A 65 65 ASP N N 65 122.196 120.371 1.825 1 1 597 . 10 1 1 A 66 66 ARG H H 66 8.537 7.517 1.020 1 1 598 . 10 1 1 A 66 66 ARG HA H 66 4.345 4.133 0.212 1 1 599 . 10 1 1 A 66 66 ARG C C 66 175.009 175.813 -0.804 1 1 600 . 10 1 1 A 66 66 ARG CA C 66 56.217 58.611 -2.394 1 1 601 . 10 1 1 A 66 66 ARG N N 66 122.224 120.871 1.353 1 1 602 . 10 1 1 A 67 67 LEU H H 67 8.336 7.937 0.399 1 1 603 . 10 1 1 A 67 67 LEU HA H 67 4.037 3.809 0.228 1 1 604 . 10 1 1 A 67 67 LEU CA C 67 61.694 55.768 5.926 1 1 605 . 10 1 1 A 67 67 LEU N N 67 117.734 119.417 -1.683 1 1 607 . 10 1 1 A 69 69 PRO C C 69 178.122 177.559 0.563 1 1 608 . 10 1 1 A 69 69 PRO CA C 69 63.575 64.681 -1.106 1 1 611 . 10 1 1 A 70 70 LEU H H 70 7.470 8.073 -0.603 1 1 612 . 10 1 1 A 70 70 LEU HA H 70 4.031 4.112 -0.081 1 1 621 . 10 1 1 A 70 70 LEU C C 70 178.756 176.136 2.620 1 1 622 . 10 1 1 A 70 70 LEU CA C 70 56.944 57.531 -0.587 1 1 623 . 10 1 1 A 70 70 LEU CB C 70 40.002 42.238 -2.236 1 1 626 . 10 1 1 A 70 70 LEU N N 70 118.335 118.062 0.273 1 1 627 . 10 1 1 A 71 71 SER H H 71 7.882 8.019 -0.137 1 1 628 . 10 1 1 A 71 71 SER HA H 71 4.461 4.970 -0.509 1 1 630 . 10 1 1 A 71 71 SER C C 71 179.200 172.731 6.469 1 1 631 . 10 1 1 A 71 71 SER CA C 71 59.710 56.178 3.532 1 1 632 . 10 1 1 A 71 71 SER CB C 71 63.841 66.242 -2.401 1 1 633 . 10 1 1 A 71 71 SER N N 71 111.784 109.533 2.251 1 1 634 . 10 1 1 A 72 72 TYR H H 72 7.362 8.742 -1.380 1 1 635 . 10 1 1 A 72 72 TYR CA C 72 56.002 56.221 -0.219 1 1 636 . 10 1 1 A 72 72 TYR CB C 72 35.144 39.239 -4.095 1 1 637 . 10 1 1 A 72 72 TYR N N 72 119.959 124.113 -4.154 1 1 638 . 10 1 1 A 73 73 PRO HA H 73 4.231 4.295 -0.064 1 1 639 . 10 1 1 A 73 73 PRO C C 73 176.096 175.564 0.532 1 1 640 . 10 1 1 A 73 73 PRO CA C 73 66.055 62.824 3.231 1 1 641 . 10 1 1 A 73 73 PRO CB C 73 35.726 31.775 3.951 1 1 642 . 10 1 1 A 74 74 GLN H H 74 8.995 8.422 0.573 1 1 643 . 10 1 1 A 74 74 GLN HA H 74 3.790 4.563 -0.773 1 1 647 . 10 1 1 A 74 74 GLN C C 74 174.686 174.451 0.235 1 1 648 . 10 1 1 A 74 74 GLN CA C 74 57.416 54.665 2.751 1 1 649 . 10 1 1 A 74 74 GLN CB C 74 25.352 30.752 -5.400 1 1 651 . 10 1 1 A 74 74 GLN N N 74 114.768 121.334 -6.566 1 1 653 . 10 1 1 A 75 75 THR H H 75 7.504 8.832 -1.328 1 1 654 . 10 1 1 A 75 75 THR HA H 75 3.172 4.648 -1.476 1 1 659 . 10 1 1 A 75 75 THR C C 75 173.589 174.301 -0.712 1 1 660 . 10 1 1 A 75 75 THR CA C 75 67.162 61.546 5.616 1 1 661 . 10 1 1 A 75 75 THR CB C 75 61.122 71.054 -9.932 1 1 663 . 10 1 1 A 75 75 THR N N 75 116.725 122.016 -5.291 1 1 664 . 10 1 1 A 76 76 ASP H H 76 8.865 8.645 0.220 1 1 665 . 10 1 1 A 76 76 ASP HA H 76 4.873 4.465 0.408 1 1 668 . 10 1 1 A 76 76 ASP C C 76 177.600 176.395 1.205 1 1 669 . 10 1 1 A 76 76 ASP CA C 76 56.105 57.401 -1.296 1 1 670 . 10 1 1 A 76 76 ASP CB C 76 44.016 41.849 2.167 1 1 671 . 10 1 1 A 76 76 ASP N N 76 124.192 125.876 -1.684 1 1 672 . 10 1 1 A 77 77 VAL H H 77 7.578 7.927 -0.349 1 1 673 . 10 1 1 A 77 77 VAL HA H 77 4.706 4.707 -0.001 1 1 681 . 10 1 1 A 77 77 VAL C C 77 171.266 173.726 -2.460 1 1 682 . 10 1 1 A 77 77 VAL CA C 77 60.346 60.946 -0.600 1 1 683 . 10 1 1 A 77 77 VAL CB C 77 32.362 35.327 -2.965 1 1 685 . 10 1 1 A 77 77 VAL N N 77 116.060 118.051 -1.991 1 1 686 . 10 1 1 A 78 78 PHE H H 78 8.287 8.993 -0.706 1 1 687 . 10 1 1 A 78 78 PHE HA H 78 5.646 5.186 0.460 1 1 690 . 10 1 1 A 78 78 PHE C C 78 175.799 173.605 2.194 1 1 691 . 10 1 1 A 78 78 PHE CA C 78 56.686 55.991 0.695 1 1 692 . 10 1 1 A 78 78 PHE CB C 78 43.413 41.233 2.180 1 1 693 . 10 1 1 A 78 78 PHE N N 78 121.935 128.454 -6.519 1 1 694 . 10 1 1 A 79 79 LEU H H 79 8.937 7.965 0.972 1 1 695 . 10 1 1 A 79 79 LEU HA H 79 4.691 4.929 -0.238 1 1 701 . 10 1 1 A 79 79 LEU C C 79 174.059 175.658 -1.599 1 1 702 . 10 1 1 A 79 79 LEU CA C 79 53.575 53.014 0.561 1 1 703 . 10 1 1 A 79 79 LEU CB C 79 41.184 44.274 -3.090 1 1 706 . 10 1 1 A 79 79 LEU N N 79 119.060 128.062 -9.002 1 1 707 . 10 1 1 A 80 80 VAL H H 80 8.828 8.517 0.311 1 1 708 . 10 1 1 A 80 80 VAL HA H 80 4.138 4.683 -0.545 1 1 716 . 10 1 1 A 80 80 VAL C C 80 174.535 174.476 0.059 1 1 717 . 10 1 1 A 80 80 VAL CA C 80 61.395 60.587 0.808 1 1 718 . 10 1 1 A 80 80 VAL CB C 80 30.602 34.515 -3.913 1 1 721 . 10 1 1 A 80 80 VAL N N 80 124.677 121.813 2.864 1 1 722 . 10 1 1 A 81 81 CYS H H 81 8.795 8.850 -0.055 1 1 723 . 10 1 1 A 81 81 CYS HA H 81 5.758 5.156 0.602 1 1 726 . 10 1 1 A 81 81 CYS C C 81 173.980 173.534 0.446 1 1 727 . 10 1 1 A 81 81 CYS CA C 81 57.821 57.069 0.752 1 1 728 . 10 1 1 A 81 81 CYS CB C 81 30.043 30.219 -0.176 1 1 729 . 10 1 1 A 81 81 CYS N N 81 123.745 126.938 -3.193 1 1 730 . 10 1 1 A 82 82 PHE H H 82 8.873 8.557 0.316 1 1 731 . 10 1 1 A 82 82 PHE HA H 82 4.532 5.431 -0.899 1 1 735 . 10 1 1 A 82 82 PHE C C 82 171.090 172.640 -1.550 1 1 736 . 10 1 1 A 82 82 PHE CA C 82 56.367 55.443 0.924 1 1 737 . 10 1 1 A 82 82 PHE CB C 82 40.091 42.241 -2.150 1 1 738 . 10 1 1 A 82 82 PHE N N 82 117.718 122.040 -4.322 1 1 739 . 10 1 1 A 83 83 SER H H 83 8.038 8.837 -0.799 1 1 740 . 10 1 1 A 83 83 SER HA H 83 5.204 4.926 0.278 1 1 743 . 10 1 1 A 83 83 SER C C 83 178.547 174.664 3.883 1 1 744 . 10 1 1 A 83 83 SER CA C 83 55.000 57.697 -2.697 1 1 745 . 10 1 1 A 83 83 SER CB C 83 63.051 64.847 -1.796 1 1 746 . 10 1 1 A 83 83 SER N N 83 113.246 116.468 -3.222 1 1 747 . 10 1 1 A 84 84 VAL H H 84 8.609 8.533 0.076 1 1 748 . 10 1 1 A 84 84 VAL HA H 84 4.261 4.542 -0.281 1 1 756 . 10 1 1 A 84 84 VAL C C 84 175.783 176.432 -0.649 1 1 757 . 10 1 1 A 84 84 VAL CA C 84 63.745 62.107 1.638 1 1 758 . 10 1 1 A 84 84 VAL CB C 84 29.811 32.612 -2.801 1 1 760 . 10 1 1 A 84 84 VAL N N 84 120.609 124.981 -4.372 1 1 761 . 10 1 1 A 85 85 VAL H H 85 7.653 7.671 -0.018 1 1 762 . 10 1 1 A 85 85 VAL HA H 85 4.508 4.540 -0.032 1 1 767 . 10 1 1 A 85 85 VAL C C 85 173.401 175.147 -1.746 1 1 768 . 10 1 1 A 85 85 VAL CA C 85 59.998 61.673 -1.675 1 1 769 . 10 1 1 A 85 85 VAL CB C 85 29.718 32.788 -3.070 1 1 772 . 10 1 1 A 85 85 VAL N N 85 107.920 117.094 -9.174 1 1 773 . 10 1 1 A 86 86 SER H H 86 7.792 8.038 -0.246 1 1 774 . 10 1 1 A 86 86 SER HA H 86 5.200 4.968 0.232 1 1 777 . 10 1 1 A 86 86 SER CA C 86 53.848 55.432 -1.584 1 1 778 . 10 1 1 A 86 86 SER CB C 86 62.720 63.980 -1.260 1 1 779 . 10 1 1 A 86 86 SER N N 86 112.608 117.992 -5.384 1 1 780 . 10 1 1 A 87 87 PRO C C 87 178.275 177.800 0.475 1 1 781 . 10 1 1 A 87 87 PRO CA C 87 65.655 65.385 0.270 1 1 782 . 10 1 1 A 87 87 PRO CB C 87 31.961 31.849 0.112 1 1 783 . 10 1 1 A 88 88 SER H H 88 8.928 8.356 0.572 1 1 784 . 10 1 1 A 88 88 SER HA H 88 4.783 4.259 0.524 1 1 787 . 10 1 1 A 88 88 SER C C 88 176.192 177.194 -1.002 1 1 788 . 10 1 1 A 88 88 SER CA C 88 61.630 61.279 0.351 1 1 789 . 10 1 1 A 88 88 SER CB C 88 71.811 63.002 8.809 1 1 790 . 10 1 1 A 88 88 SER N N 88 113.475 112.291 1.184 1 1 791 . 10 1 1 A 89 89 SER H H 89 8.022 8.138 -0.116 1 1 792 . 10 1 1 A 89 89 SER HA H 89 5.047 4.336 0.711 1 1 795 . 10 1 1 A 89 89 SER C C 89 176.417 176.522 -0.105 1 1 796 . 10 1 1 A 89 89 SER CA C 89 61.352 61.341 0.011 1 1 797 . 10 1 1 A 89 89 SER CB C 89 63.930 63.290 0.640 1 1 798 . 10 1 1 A 89 89 SER N N 89 120.789 117.064 3.725 1 1 799 . 10 1 1 A 90 90 PHE H H 90 7.454 8.120 -0.666 1 1 800 . 10 1 1 A 90 90 PHE HA H 90 3.967 4.105 -0.138 1 1 804 . 10 1 1 A 90 90 PHE C C 90 177.387 178.102 -0.715 1 1 805 . 10 1 1 A 90 90 PHE CA C 90 59.945 60.602 -0.657 1 1 806 . 10 1 1 A 90 90 PHE CB C 90 39.365 39.271 0.094 1 1 807 . 10 1 1 A 90 90 PHE N N 90 124.950 122.924 2.026 1 1 808 . 10 1 1 A 91 91 GLU H H 91 8.245 8.443 -0.198 1 1 809 . 10 1 1 A 91 91 GLU HA H 91 3.921 4.090 -0.169 1 1 811 . 10 1 1 A 91 91 GLU C C 91 179.695 179.756 -0.061 1 1 812 . 10 1 1 A 91 91 GLU CA C 91 59.102 59.562 -0.460 1 1 813 . 10 1 1 A 91 91 GLU CB C 91 28.437 29.472 -1.035 1 1 815 . 10 1 1 A 91 91 GLU N N 91 119.953 118.054 1.899 1 1 816 . 10 1 1 A 92 92 ASN H H 92 8.106 8.382 -0.276 1 1 817 . 10 1 1 A 92 92 ASN HA H 92 4.760 4.465 0.295 1 1 821 . 10 1 1 A 92 92 ASN C C 92 178.593 178.078 0.515 1 1 822 . 10 1 1 A 92 92 ASN CA C 92 54.635 56.661 -2.026 1 1 823 . 10 1 1 A 92 92 ASN CB C 92 37.879 39.835 -1.956 1 1 824 . 10 1 1 A 92 92 ASN N N 92 114.315 118.269 -3.954 1 1 826 . 10 1 1 A 93 93 VAL H H 93 7.883 7.782 0.101 1 1 827 . 10 1 1 A 93 93 VAL HA H 93 3.738 3.678 0.060 1 1 835 . 10 1 1 A 93 93 VAL C C 93 174.932 177.974 -3.042 1 1 836 . 10 1 1 A 93 93 VAL CA C 93 68.395 67.173 1.222 1 1 837 . 10 1 1 A 93 93 VAL CB C 93 30.596 31.371 -0.775 1 1 839 . 10 1 1 A 93 93 VAL N N 93 124.067 119.713 4.354 1 1 840 . 10 1 1 A 94 94 LYS H H 94 6.590 7.742 -1.152 1 1 841 . 10 1 1 A 94 94 LYS HA H 94 3.902 4.001 -0.099 1 1 846 . 10 1 1 A 94 94 LYS C C 94 176.885 178.314 -1.429 1 1 847 . 10 1 1 A 94 94 LYS CA C 94 58.135 59.034 -0.899 1 1 848 . 10 1 1 A 94 94 LYS CB C 94 33.163 31.820 1.343 1 1 851 . 10 1 1 A 94 94 LYS N N 94 115.269 119.721 -4.452 1 1 852 . 10 1 1 A 95 95 GLU H H 95 7.719 7.627 0.092 1 1 853 . 10 1 1 A 95 95 GLU HA H 95 4.089 4.046 0.043 1 1 857 . 10 1 1 A 95 95 GLU C C 95 176.252 177.420 -1.168 1 1 858 . 10 1 1 A 95 95 GLU CA C 95 57.564 58.687 -1.123 1 1 859 . 10 1 1 A 95 95 GLU CB C 95 30.353 29.622 0.731 1 1 861 . 10 1 1 A 95 95 GLU N N 95 112.466 118.792 -6.326 1 1 862 . 10 1 1 A 96 96 LYS H H 96 8.063 7.697 0.366 1 1 863 . 10 1 1 A 96 96 LYS HA H 96 4.250 4.241 0.009 1 1 867 . 10 1 1 A 96 96 LYS C C 96 177.781 177.951 -0.170 1 1 868 . 10 1 1 A 96 96 LYS CA C 96 57.343 57.045 0.298 1 1 869 . 10 1 1 A 96 96 LYS CB C 96 35.190 33.942 1.248 1 1 873 . 10 1 1 A 96 96 LYS N N 96 115.613 116.437 -0.824 1 1 874 . 10 1 1 A 97 97 TRP H H 97 7.786 7.614 0.172 1 1 875 . 10 1 1 A 97 97 TRP HA H 97 4.390 4.636 -0.246 1 1 879 . 10 1 1 A 97 97 TRP C C 97 178.500 177.177 1.323 1 1 880 . 10 1 1 A 97 97 TRP CA C 97 60.831 57.877 2.954 1 1 881 . 10 1 1 A 97 97 TRP CB C 97 30.818 29.010 1.808 1 1 882 . 10 1 1 A 97 97 TRP N N 97 119.643 118.812 0.831 1 1 884 . 10 1 1 A 98 98 VAL H H 98 8.604 7.612 0.992 1 1 885 . 10 1 1 A 98 98 VAL HA H 98 3.542 3.899 -0.357 1 1 890 . 10 1 1 A 98 98 VAL CA C 98 68.434 65.257 3.177 1 1 891 . 10 1 1 A 98 98 VAL CB C 98 28.357 32.581 -4.224 1 1 892 . 10 1 1 A 98 98 VAL N N 98 116.894 118.433 -1.539 1 1 893 . 10 1 1 A 99 99 PRO HA H 99 3.932 4.222 -0.290 1 1 895 . 10 1 1 A 99 99 PRO C C 99 177.438 179.280 -1.842 1 1 896 . 10 1 1 A 99 99 PRO CA C 99 66.615 66.011 0.604 1 1 897 . 10 1 1 A 99 99 PRO CB C 99 30.600 30.849 -0.249 1 1 899 . 10 1 1 A 100 100 GLU H H 100 7.538 8.452 -0.914 1 1 900 . 10 1 1 A 100 100 GLU HA H 100 4.219 4.086 0.133 1 1 902 . 10 1 1 A 100 100 GLU C C 100 178.891 178.920 -0.029 1 1 903 . 10 1 1 A 100 100 GLU CA C 100 60.795 59.188 1.607 1 1 904 . 10 1 1 A 100 100 GLU CB C 100 29.919 29.020 0.899 1 1 906 . 10 1 1 A 100 100 GLU N N 100 116.622 117.990 -1.368 1 1 907 . 10 1 1 A 101 101 ILE H H 101 8.331 7.513 0.818 1 1 908 . 10 1 1 A 101 101 ILE HA H 101 3.598 3.261 0.337 1 1 909 . 10 1 1 A 101 101 ILE C C 101 177.812 177.662 0.150 1 1 910 . 10 1 1 A 101 101 ILE CA C 101 66.106 62.466 3.640 1 1 911 . 10 1 1 A 101 101 ILE CB C 101 35.806 37.605 -1.799 1 1 913 . 10 1 1 A 101 101 ILE N N 101 113.806 120.271 -6.465 1 1 914 . 10 1 1 A 102 102 THR H H 102 7.881 7.698 0.183 1 1 915 . 10 1 1 A 102 102 THR HA H 102 3.849 3.827 0.022 1 1 917 . 10 1 1 A 102 102 THR C C 102 175.953 176.783 -0.830 1 1 918 . 10 1 1 A 102 102 THR CA C 102 64.979 66.698 -1.719 1 1 919 . 10 1 1 A 102 102 THR CB C 102 69.609 68.083 1.526 1 1 920 . 10 1 1 A 102 102 THR N N 102 112.542 117.922 -5.380 1 1 921 . 10 1 1 A 103 103 HIS H H 103 7.598 8.049 -0.451 1 1 922 . 10 1 1 A 103 103 HIS HA H 103 4.217 4.220 -0.003 1 1 924 . 10 1 1 A 103 103 HIS C C 103 176.414 177.588 -1.174 1 1 925 . 10 1 1 A 103 103 HIS CA C 103 58.531 59.617 -1.086 1 1 926 . 10 1 1 A 103 103 HIS CB C 103 28.397 29.654 -1.257 1 1 927 . 10 1 1 A 103 103 HIS N N 103 118.843 119.330 -0.487 1 1 928 . 10 1 1 A 104 104 HIS H H 104 7.405 7.510 -0.105 1 1 929 . 10 1 1 A 104 104 HIS HA H 104 4.164 4.306 -0.142 1 1 932 . 10 1 1 A 104 104 HIS C C 104 176.660 175.215 1.445 1 1 933 . 10 1 1 A 104 104 HIS CA C 104 59.641 58.602 1.039 1 1 934 . 10 1 1 A 104 104 HIS CB C 104 33.363 29.944 3.419 1 1 935 . 10 1 1 A 104 104 HIS N N 104 113.791 116.510 -2.719 1 1 936 . 10 1 1 A 105 105 CYS H H 105 8.530 7.122 1.408 1 1 937 . 10 1 1 A 105 105 CYS HA H 105 5.015 4.412 0.603 1 1 940 . 10 1 1 A 105 105 CYS CA C 105 56.219 57.974 -1.755 1 1 941 . 10 1 1 A 105 105 CYS N N 105 117.178 113.365 3.813 1 1 942 . 10 1 1 A 106 106 PRO HA H 106 4.477 4.511 -0.034 1 1 945 . 10 1 1 A 106 106 PRO C C 106 177.961 176.063 1.898 1 1 946 . 10 1 1 A 106 106 PRO CA C 106 64.735 62.283 2.452 1 1 947 . 10 1 1 A 106 106 PRO CB C 106 31.961 33.197 -1.236 1 1 949 . 10 1 1 A 107 107 LYS H H 107 8.769 8.405 0.364 1 1 950 . 10 1 1 A 107 107 LYS HA H 107 4.771 4.612 0.159 1 1 955 . 10 1 1 A 107 107 LYS CA C 107 55.895 56.249 -0.354 1 1 956 . 10 1 1 A 107 107 LYS CB C 107 31.160 33.404 -2.244 1 1 957 . 10 1 1 A 107 107 LYS N N 107 116.131 121.047 -4.916 1 1 958 . 10 1 1 A 108 108 THR H H 108 7.586 8.664 -1.078 1 1 959 . 10 1 1 A 108 108 THR N N 108 121.415 114.581 6.834 1 1 960 . 10 1 1 A 109 109 PRO HA H 109 4.529 4.488 0.041 1 1 963 . 10 1 1 A 109 109 PRO C C 109 174.846 175.676 -0.830 1 1 964 . 10 1 1 A 109 109 PRO CA C 109 62.495 63.436 -0.941 1 1 965 . 10 1 1 A 109 109 PRO CB C 109 33.563 31.690 1.873 1 1 968 . 10 1 1 A 110 110 PHE H H 110 8.165 8.752 -0.587 1 1 969 . 10 1 1 A 110 110 PHE HA H 110 5.929 5.246 0.683 1 1 971 . 10 1 1 A 110 110 PHE C C 110 172.666 173.824 -1.158 1 1 972 . 10 1 1 A 110 110 PHE CA C 110 54.448 56.861 -2.413 1 1 973 . 10 1 1 A 110 110 PHE CB C 110 43.554 42.096 1.458 1 1 974 . 10 1 1 A 110 110 PHE N N 110 112.128 123.511 -11.383 1 1 975 . 10 1 1 A 111 111 LEU H H 111 8.633 8.401 0.232 1 1 976 . 10 1 1 A 111 111 LEU HA H 111 4.694 5.126 -0.432 1 1 979 . 10 1 1 A 111 111 LEU C C 111 175.472 173.464 2.008 1 1 980 . 10 1 1 A 111 111 LEU CA C 111 54.212 53.325 0.887 1 1 981 . 10 1 1 A 111 111 LEU CB C 111 43.831 45.428 -1.597 1 1 984 . 10 1 1 A 111 111 LEU N N 111 119.654 129.511 -9.857 1 1 985 . 10 1 1 A 112 112 LEU H H 112 8.061 8.492 -0.431 1 1 986 . 10 1 1 A 112 112 LEU HA H 112 5.363 5.064 0.299 1 1 992 . 10 1 1 A 112 112 LEU C C 112 173.631 175.014 -1.383 1 1 993 . 10 1 1 A 112 112 LEU CA C 112 53.826 53.489 0.337 1 1 994 . 10 1 1 A 112 112 LEU CB C 112 44.182 44.369 -0.187 1 1 996 . 10 1 1 A 112 112 LEU N N 112 121.946 129.297 -7.351 1 1 997 . 10 1 1 A 113 113 VAL H H 113 9.178 8.907 0.271 1 1 998 . 10 1 1 A 113 113 VAL HA H 113 4.878 4.913 -0.035 1 1 1006 . 10 1 1 A 113 113 VAL C C 113 174.300 175.353 -1.053 1 1 1007 . 10 1 1 A 113 113 VAL CA C 113 59.695 60.659 -0.964 1 1 1008 . 10 1 1 A 113 113 VAL CB C 113 33.323 34.452 -1.129 1 1 1011 . 10 1 1 A 113 113 VAL N N 113 125.807 128.330 -2.523 1 1 1012 . 10 1 1 A 114 114 GLY H H 114 8.731 9.420 -0.689 1 1 1013 . 10 1 1 A 114 114 GLY HA2 H 114 3.688 3.644 0.044 1 1 1014 . 10 1 1 A 114 114 GLY HA3 H 114 3.270 4.073 -0.803 1 1 1015 . 10 1 1 A 114 114 GLY C C 114 173.360 172.808 0.552 1 1 1016 . 10 1 1 A 114 114 GLY CA C 114 44.195 44.896 -0.701 1 1 1017 . 10 1 1 A 114 114 GLY N N 114 115.079 115.177 -0.098 1 1 1018 . 10 1 1 A 115 115 THR H H 115 9.181 7.489 1.692 1 1 1019 . 10 1 1 A 115 115 THR HA H 115 4.969 4.633 0.336 1 1 1024 . 10 1 1 A 115 115 THR C C 115 175.355 174.055 1.300 1 1 1025 . 10 1 1 A 115 115 THR CA C 115 59.375 61.108 -1.733 1 1 1026 . 10 1 1 A 115 115 THR CB C 115 70.530 70.159 0.371 1 1 1028 . 10 1 1 A 115 115 THR N N 115 115.613 120.703 -5.090 1 1 1029 . 10 1 1 A 116 116 GLN H H 116 9.380 8.693 0.687 1 1 1030 . 10 1 1 A 116 116 GLN HA H 116 3.983 3.786 0.197 1 1 1033 . 10 1 1 A 116 116 GLN C C 116 179.110 174.805 4.305 1 1 1034 . 10 1 1 A 116 116 GLN CA C 116 56.195 56.532 -0.337 1 1 1035 . 10 1 1 A 116 116 GLN CB C 116 23.911 26.612 -2.701 1 1 1037 . 10 1 1 A 116 116 GLN N N 116 108.468 119.108 -10.640 1 1 1038 . 10 1 1 A 117 117 ILE H H 117 7.635 7.507 0.128 1 1 1039 . 10 1 1 A 117 117 ILE HA H 117 3.814 4.210 -0.396 1 1 1042 . 10 1 1 A 117 117 ILE C C 117 178.002 175.346 2.656 1 1 1043 . 10 1 1 A 117 117 ILE CA C 117 64.828 60.162 4.666 1 1 1044 . 10 1 1 A 117 117 ILE CB C 117 36.327 39.213 -2.886 1 1 1047 . 10 1 1 A 118 118 ASP H H 118 8.732 9.039 -0.307 1 1 1048 . 10 1 1 A 118 118 ASP HA H 118 4.468 4.293 0.175 1 1 1051 . 10 1 1 A 118 118 ASP C C 118 176.888 175.994 0.894 1 1 1052 . 10 1 1 A 118 118 ASP CA C 118 55.527 55.493 0.034 1 1 1053 . 10 1 1 A 118 118 ASP CB C 118 40.482 39.495 0.987 1 1 1054 . 10 1 1 A 118 118 ASP N N 118 119.049 119.308 -0.259 1 1 1055 . 10 1 1 A 119 119 LEU H H 119 7.914 8.051 -0.137 1 1 1056 . 10 1 1 A 119 119 LEU HA H 119 4.332 3.970 0.362 1 1 1066 . 10 1 1 A 119 119 LEU C C 119 178.015 175.619 2.396 1 1 1067 . 10 1 1 A 119 119 LEU CA C 119 55.388 55.741 -0.353 1 1 1068 . 10 1 1 A 119 119 LEU CB C 119 41.573 40.970 0.603 1 1 1071 . 10 1 1 A 119 119 LEU N N 119 117.783 119.035 -1.252 1 1 1072 . 10 1 1 A 120 120 ARG H H 120 7.256 7.926 -0.670 1 1 1073 . 10 1 1 A 120 120 ARG HA H 120 3.561 4.019 -0.458 1 1 1076 . 10 1 1 A 120 120 ARG C C 120 174.671 175.758 -1.087 1 1 1077 . 10 1 1 A 120 120 ARG CA C 120 60.041 57.098 2.943 1 1 1078 . 10 1 1 A 120 120 ARG CB C 120 30.079 28.053 2.026 1 1 1081 . 10 1 1 A 120 120 ARG N N 120 116.747 112.326 4.421 1 1 1082 . 10 1 1 A 121 121 ASP H H 121 7.078 10.182 -3.104 1 1 1083 . 10 1 1 A 121 121 ASP HA H 121 4.802 4.297 0.505 1 1 1086 . 10 1 1 A 121 121 ASP C C 121 175.364 174.717 0.647 1 1 1087 . 10 1 1 A 121 121 ASP CA C 121 52.775 54.939 -2.164 1 1 1088 . 10 1 1 A 121 121 ASP CB C 121 41.372 39.163 2.209 1 1 1089 . 10 1 1 A 121 121 ASP N N 121 111.544 118.424 -6.880 1 1 1090 . 10 1 1 A 122 122 ASP H H 122 7.246 8.218 -0.972 1 1 1091 . 10 1 1 A 122 122 ASP HA H 122 4.983 5.164 -0.181 1 1 1094 . 10 1 1 A 122 122 ASP CA C 122 51.575 51.295 0.280 1 1 1095 . 10 1 1 A 122 122 ASP CB C 122 43.576 41.522 2.054 1 1 1096 . 10 1 1 A 122 122 ASP N N 122 122.169 117.946 4.223 1 1 1097 . 10 1 1 A 123 123 PRO HA H 123 4.132 4.372 -0.240 1 1 1100 . 10 1 1 A 123 123 PRO C C 123 178.982 177.746 1.236 1 1 1101 . 10 1 1 A 123 123 PRO CA C 123 65.824 64.956 0.868 1 1 1102 . 10 1 1 A 123 123 PRO CB C 123 32.041 31.922 0.119 1 1 1104 . 10 1 1 A 124 124 SER H H 124 8.333 8.390 -0.057 1 1 1105 . 10 1 1 A 124 124 SER HA H 124 4.762 4.439 0.323 1 1 1108 . 10 1 1 A 124 124 SER C C 124 176.716 175.674 1.042 1 1 1109 . 10 1 1 A 124 124 SER CA C 124 62.073 59.518 2.555 1 1 1110 . 10 1 1 A 124 124 SER CB C 124 62.373 63.368 -0.995 1 1 1111 . 10 1 1 A 124 124 SER N N 124 112.482 112.701 -0.219 1 1 1112 . 10 1 1 A 125 125 THR H H 125 7.921 8.459 -0.538 1 1 1113 . 10 1 1 A 125 125 THR HA H 125 4.658 4.141 0.517 1 1 1118 . 10 1 1 A 125 125 THR C C 125 175.789 176.297 -0.508 1 1 1119 . 10 1 1 A 125 125 THR CA C 125 67.686 65.194 2.492 1 1 1121 . 10 1 1 A 125 125 THR N N 125 121.820 114.777 7.043 1 1 1122 . 10 1 1 A 126 126 ILE H H 126 8.234 7.789 0.445 1 1 1123 . 10 1 1 A 126 126 ILE HA H 126 3.550 3.962 -0.412 1 1 1126 . 10 1 1 A 126 126 ILE C C 126 179.057 177.821 1.236 1 1 1127 . 10 1 1 A 126 126 ILE CA C 126 65.032 63.704 1.328 1 1 1128 . 10 1 1 A 126 126 ILE CB C 126 37.064 37.521 -0.457 1 1 1132 . 10 1 1 A 126 126 ILE N N 126 121.486 120.597 0.889 1 1 1133 . 10 1 1 A 127 127 GLU H H 127 8.240 8.121 0.119 1 1 1134 . 10 1 1 A 127 127 GLU HA H 127 4.165 3.977 0.188 1 1 1136 . 10 1 1 A 127 127 GLU C C 127 177.025 178.565 -1.540 1 1 1137 . 10 1 1 A 127 127 GLU CA C 127 59.326 59.777 -0.451 1 1 1138 . 10 1 1 A 127 127 GLU CB C 127 29.330 29.497 -0.167 1 1 1140 . 10 1 1 A 127 127 GLU N N 127 120.249 121.114 -0.865 1 1 1141 . 10 1 1 A 128 128 LYS H H 128 7.919 8.336 -0.417 1 1 1142 . 10 1 1 A 128 128 LYS HA H 128 3.978 4.206 -0.228 1 1 1146 . 10 1 1 A 128 128 LYS C C 128 179.838 177.135 2.703 1 1 1147 . 10 1 1 A 128 128 LYS CA C 128 59.938 57.573 2.365 1 1 1148 . 10 1 1 A 128 128 LYS CB C 128 31.691 32.102 -0.411 1 1 1152 . 10 1 1 A 128 128 LYS N N 128 120.679 118.036 2.643 1 1 1153 . 10 1 1 A 129 129 LEU H H 129 8.142 7.580 0.562 1 1 1154 . 10 1 1 A 129 129 LEU HA H 129 4.128 4.353 -0.225 1 1 1160 . 10 1 1 A 129 129 LEU C C 129 179.701 178.155 1.546 1 1 1161 . 10 1 1 A 129 129 LEU CA C 129 57.904 56.322 1.582 1 1 1162 . 10 1 1 A 129 129 LEU CB C 129 41.674 43.046 -1.372 1 1 1165 . 10 1 1 A 129 129 LEU N N 129 118.553 118.009 0.544 1 1 1166 . 10 1 1 A 130 130 ALA H H 130 8.493 9.265 -0.772 1 1 1167 . 10 1 1 A 130 130 ALA HA H 130 4.286 4.007 0.279 1 1 1171 . 10 1 1 A 130 130 ALA C C 130 182.027 180.171 1.856 1 1 1172 . 10 1 1 A 130 130 ALA CA C 130 55.358 55.681 -0.323 1 1 1173 . 10 1 1 A 130 130 ALA CB C 130 17.069 18.555 -1.486 1 1 1174 . 10 1 1 A 130 130 ALA N N 130 122.578 121.469 1.109 1 1 1175 . 10 1 1 A 131 131 LYS H H 131 8.065 7.963 0.102 1 1 1176 . 10 1 1 A 131 131 LYS HA H 131 4.124 4.016 0.108 1 1 1180 . 10 1 1 A 131 131 LYS C C 131 177.085 178.646 -1.561 1 1 1181 . 10 1 1 A 131 131 LYS CA C 131 59.093 59.035 0.058 1 1 1182 . 10 1 1 A 131 131 LYS CB C 131 31.782 32.088 -0.306 1 1 1186 . 10 1 1 A 131 131 LYS N N 131 120.347 117.287 3.060 1 1 1187 . 10 1 1 A 132 132 ASN H H 132 7.414 7.948 -0.534 1 1 1188 . 10 1 1 A 132 132 ASN HA H 132 4.983 4.579 0.404 1 1 1193 . 10 1 1 A 132 132 ASN C C 132 173.584 175.477 -1.893 1 1 1194 . 10 1 1 A 132 132 ASN CA C 132 52.195 55.459 -3.264 1 1 1195 . 10 1 1 A 132 132 ASN CB C 132 39.210 39.708 -0.498 1 1 1196 . 10 1 1 A 132 132 ASN N N 132 115.667 117.487 -1.820 1 1 1198 . 10 1 1 A 133 133 LYS H H 133 8.105 7.476 0.629 1 1 1199 . 10 1 1 A 133 133 LYS HA H 133 3.956 4.443 -0.487 1 1 1204 . 10 1 1 A 133 133 LYS C C 133 175.311 175.450 -0.139 1 1 1205 . 10 1 1 A 133 133 LYS CA C 133 57.317 55.649 1.668 1 1 1206 . 10 1 1 A 133 133 LYS CB C 133 28.397 32.977 -4.580 1 1 1210 . 10 1 1 A 133 133 LYS N N 133 113.900 118.288 -4.388 1 1 1211 . 10 1 1 A 134 134 GLN H H 134 8.107 8.333 -0.226 1 1 1212 . 10 1 1 A 134 134 GLN HA H 134 4.777 3.892 0.885 1 1 1218 . 10 1 1 A 134 134 GLN C C 134 174.870 175.670 -0.800 1 1 1219 . 10 1 1 A 134 134 GLN CA C 134 53.890 56.618 -2.728 1 1 1220 . 10 1 1 A 134 134 GLN CB C 134 33.095 27.482 5.613 1 1 1222 . 10 1 1 A 134 134 GLN N N 134 116.006 125.747 -9.741 1 1 1224 . 10 1 1 A 135 135 LYS H H 135 7.974 8.035 -0.061 1 1 1225 . 10 1 1 A 135 135 LYS CA C 135 54.077 59.958 -5.881 1 1 1226 . 10 1 1 A 135 135 LYS CB C 135 33.433 33.407 0.026 1 1 1227 . 10 1 1 A 135 135 LYS N N 135 118.646 125.995 -7.349 1 1 1228 . 10 1 1 A 136 136 PRO HA H 136 4.378 4.732 -0.354 1 1 1232 . 10 1 1 A 136 136 PRO C C 136 174.976 175.992 -1.016 1 1 1233 . 10 1 1 A 136 136 PRO CA C 136 62.255 61.964 0.291 1 1 1234 . 10 1 1 A 136 136 PRO CB C 136 32.147 32.054 0.093 1 1 1237 . 10 1 1 A 137 137 ILE H H 137 9.147 8.057 1.090 1 1 1238 . 10 1 1 A 137 137 ILE HA H 137 3.918 4.382 -0.464 1 1 1245 . 10 1 1 A 137 137 ILE C C 137 176.126 175.486 0.640 1 1 1246 . 10 1 1 A 137 137 ILE CA C 137 59.969 60.328 -0.359 1 1 1247 . 10 1 1 A 137 137 ILE CB C 137 36.848 39.645 -2.797 1 1 1248 . 10 1 1 A 137 137 ILE N N 137 122.234 123.877 -1.643 1 1 1249 . 10 1 1 A 138 138 THR H H 138 7.993 8.547 -0.554 1 1 1250 . 10 1 1 A 138 138 THR HA H 138 4.765 4.812 -0.047 1 1 1255 . 10 1 1 A 138 138 THR CA C 138 59.171 58.942 0.229 1 1 1256 . 10 1 1 A 138 138 THR CB C 138 68.488 69.044 -0.556 1 1 1257 . 10 1 1 A 138 138 THR N N 138 118.389 120.811 -2.422 1 1 1258 . 10 1 1 A 139 139 PRO HA H 139 4.071 4.388 -0.317 1 1 1261 . 10 1 1 A 139 139 PRO C C 139 177.838 179.014 -1.176 1 1 1262 . 10 1 1 A 139 139 PRO CA C 139 65.575 65.518 0.057 1 1 1263 . 10 1 1 A 139 139 PRO CB C 139 31.401 31.952 -0.551 1 1 1265 . 10 1 1 A 140 140 GLU H H 140 8.569 8.172 0.397 1 1 1266 . 10 1 1 A 140 140 GLU HA H 140 3.000 4.054 -1.054 1 1 1270 . 10 1 1 A 140 140 GLU C C 140 179.357 179.348 0.009 1 1 1271 . 10 1 1 A 140 140 GLU CA C 140 60.137 59.440 0.697 1 1 1272 . 10 1 1 A 140 140 GLU CB C 140 28.357 29.284 -0.927 1 1 1273 . 10 1 1 A 140 140 GLU N N 140 114.648 117.804 -3.156 1 1 1274 . 10 1 1 A 141 141 THR H H 141 7.579 7.774 -0.195 1 1 1275 . 10 1 1 A 141 141 THR HA H 141 3.811 3.885 -0.074 1 1 1280 . 10 1 1 A 141 141 THR C C 141 176.395 176.485 -0.090 1 1 1281 . 10 1 1 A 141 141 THR CA C 141 66.113 66.476 -0.363 1 1 1282 . 10 1 1 A 141 141 THR CB C 141 68.569 68.273 0.296 1 1 1284 . 10 1 1 A 141 141 THR N N 141 118.215 117.403 0.812 1 1 1285 . 10 1 1 A 142 142 ALA H H 142 7.562 8.146 -0.584 1 1 1286 . 10 1 1 A 142 142 ALA HA H 142 3.866 4.347 -0.481 1 1 1290 . 10 1 1 A 142 142 ALA C C 142 178.302 179.715 -1.413 1 1 1291 . 10 1 1 A 142 142 ALA CA C 142 55.332 55.223 0.109 1 1 1292 . 10 1 1 A 142 142 ALA CB C 142 16.606 18.390 -1.784 1 1 1293 . 10 1 1 A 142 142 ALA N N 142 125.491 123.973 1.518 1 1 1294 . 10 1 1 A 143 143 GLU H H 143 8.787 8.198 0.589 1 1 1295 . 10 1 1 A 143 143 GLU HA H 143 3.742 3.723 0.019 1 1 1298 . 10 1 1 A 143 143 GLU C C 143 179.077 179.290 -0.213 1 1 1299 . 10 1 1 A 143 143 GLU CA C 143 59.590 59.287 0.303 1 1 1300 . 10 1 1 A 143 143 GLU CB C 143 28.998 28.657 0.341 1 1 1302 . 10 1 1 A 143 143 GLU N N 143 117.991 118.067 -0.076 1 1 1303 . 10 1 1 A 144 144 LYS H H 144 7.313 7.227 0.086 1 1 1304 . 10 1 1 A 144 144 LYS HA H 144 3.950 3.968 -0.018 1 1 1307 . 10 1 1 A 144 144 LYS C C 144 177.781 179.011 -1.230 1 1 1308 . 10 1 1 A 144 144 LYS CA C 144 59.370 59.556 -0.186 1 1 1309 . 10 1 1 A 144 144 LYS CB C 144 31.718 32.352 -0.634 1 1 1313 . 10 1 1 A 144 144 LYS N N 144 118.815 119.713 -0.898 1 1 1314 . 10 1 1 A 145 145 LEU H H 145 7.326 8.017 -0.691 1 1 1315 . 10 1 1 A 145 145 LEU HA H 145 4.153 4.268 -0.115 1 1 1324 . 10 1 1 A 145 145 LEU C C 145 178.162 178.379 -0.217 1 1 1325 . 10 1 1 A 145 145 LEU CA C 145 57.834 57.925 -0.091 1 1 1326 . 10 1 1 A 145 145 LEU CB C 145 40.432 41.108 -0.676 1 1 1329 . 10 1 1 A 145 145 LEU N N 145 119.589 121.706 -2.117 1 1 1330 . 10 1 1 A 146 146 ALA H H 146 8.482 7.575 0.907 1 1 1331 . 10 1 1 A 146 146 ALA HA H 146 3.705 4.096 -0.391 1 1 1335 . 10 1 1 A 146 146 ALA C C 146 178.574 179.333 -0.759 1 1 1336 . 10 1 1 A 146 146 ALA CA C 146 55.543 55.280 0.263 1 1 1337 . 10 1 1 A 146 146 ALA CB C 146 17.663 18.062 -0.399 1 1 1338 . 10 1 1 A 146 146 ALA N N 146 118.809 120.764 -1.955 1 1 1339 . 10 1 1 A 147 147 ARG H H 147 7.714 7.710 0.004 1 1 1340 . 10 1 1 A 147 147 ARG HA H 147 4.175 4.242 -0.067 1 1 1344 . 10 1 1 A 147 147 ARG C C 147 180.165 177.513 2.652 1 1 1345 . 10 1 1 A 147 147 ARG CA C 147 58.995 57.764 1.231 1 1 1346 . 10 1 1 A 147 147 ARG CB C 147 29.657 29.737 -0.080 1 1 1349 . 10 1 1 A 147 147 ARG N N 147 116.011 117.478 -1.467 1 1 1350 . 10 1 1 A 148 148 ASP H H 148 8.461 7.852 0.609 1 1 1351 . 10 1 1 A 148 148 ASP HA H 148 4.324 4.412 -0.088 1 1 1354 . 10 1 1 A 148 148 ASP C C 148 178.284 176.585 1.699 1 1 1355 . 10 1 1 A 148 148 ASP CA C 148 57.501 56.919 0.582 1 1 1356 . 10 1 1 A 148 148 ASP CB C 148 40.172 41.018 -0.846 1 1 1357 . 10 1 1 A 148 148 ASP N N 148 121.913 119.302 2.611 1 1 1358 . 10 1 1 A 149 149 LEU H H 149 8.364 7.729 0.635 1 1 1359 . 10 1 1 A 149 149 LEU HA H 149 4.365 4.372 -0.007 1 1 1368 . 10 1 1 A 149 149 LEU C C 149 174.985 177.347 -2.362 1 1 1369 . 10 1 1 A 149 149 LEU CA C 149 54.315 56.059 -1.744 1 1 1370 . 10 1 1 A 149 149 LEU CB C 149 41.373 42.942 -1.569 1 1 1373 . 10 1 1 A 149 149 LEU N N 149 115.324 117.043 -1.719 1 1 1374 . 10 1 1 A 150 150 LYS H H 150 7.624 7.659 -0.035 1 1 1375 . 10 1 1 A 150 150 LYS HA H 150 3.783 4.547 -0.764 1 1 1379 . 10 1 1 A 150 150 LYS C C 150 177.003 174.610 2.393 1 1 1380 . 10 1 1 A 150 150 LYS CA C 150 57.457 55.521 1.936 1 1 1381 . 10 1 1 A 150 150 LYS CB C 150 27.730 32.657 -4.927 1 1 1385 . 10 1 1 A 150 150 LYS N N 150 111.768 115.741 -3.973 1 1 1386 . 10 1 1 A 151 151 ALA H H 151 8.248 7.728 0.520 1 1 1387 . 10 1 1 A 151 151 ALA HA H 151 2.979 4.371 -1.392 1 1 1391 . 10 1 1 A 151 151 ALA C C 151 177.944 178.011 -0.067 1 1 1392 . 10 1 1 A 151 151 ALA CA C 151 51.231 52.627 -1.396 1 1 1393 . 10 1 1 A 151 151 ALA CB C 151 19.707 19.211 0.496 1 1 1394 . 10 1 1 A 151 151 ALA N N 151 119.649 124.802 -5.153 1 1 1395 . 10 1 1 A 152 152 VAL H H 152 8.684 8.576 0.108 1 1 1396 . 10 1 1 A 152 152 VAL HA H 152 3.478 3.918 -0.440 1 1 1404 . 10 1 1 A 152 152 VAL C C 152 176.367 176.337 0.030 1 1 1405 . 10 1 1 A 152 152 VAL CA C 152 66.127 64.924 1.203 1 1 1406 . 10 1 1 A 152 152 VAL CB C 152 32.285 32.112 0.173 1 1 1409 . 10 1 1 A 152 152 VAL N N 152 120.805 123.266 -2.461 1 1 1410 . 10 1 1 A 153 153 LYS H H 153 6.865 7.690 -0.825 1 1 1411 . 10 1 1 A 153 153 LYS HA H 153 4.344 4.957 -0.613 1 1 1416 . 10 1 1 A 153 153 LYS C C 153 172.951 174.284 -1.333 1 1 1417 . 10 1 1 A 153 153 LYS CA C 153 55.049 55.183 -0.134 1 1 1418 . 10 1 1 A 153 153 LYS CB C 153 34.332 37.139 -2.807 1 1 1422 . 10 1 1 A 153 153 LYS N N 153 108.179 118.705 -10.526 1 1 1423 . 10 1 1 A 154 154 TYR H H 154 8.606 8.657 -0.051 1 1 1424 . 10 1 1 A 154 154 TYR HA H 154 5.761 5.938 -0.177 1 1 1426 . 10 1 1 A 154 154 TYR C C 154 174.216 173.149 1.067 1 1 1427 . 10 1 1 A 154 154 TYR CA C 154 55.910 55.380 0.530 1 1 1428 . 10 1 1 A 154 154 TYR CB C 154 40.457 42.459 -2.002 1 1 1429 . 10 1 1 A 154 154 TYR N N 154 120.249 118.405 1.844 1 1 1430 . 10 1 1 A 155 155 VAL H H 155 8.271 8.633 -0.362 1 1 1431 . 10 1 1 A 155 155 VAL HA H 155 4.138 4.746 -0.608 1 1 1439 . 10 1 1 A 155 155 VAL C C 155 171.653 173.714 -2.061 1 1 1440 . 10 1 1 A 155 155 VAL CA C 155 58.344 59.632 -1.288 1 1 1441 . 10 1 1 A 155 155 VAL CB C 155 34.645 35.916 -1.271 1 1 1444 . 10 1 1 A 155 155 VAL N N 155 121.448 117.915 3.533 1 1 1445 . 10 1 1 A 156 156 GLU H H 156 8.030 8.641 -0.611 1 1 1446 . 10 1 1 A 156 156 GLU HA H 156 5.393 5.047 0.346 1 1 1449 . 10 1 1 A 156 156 GLU C C 156 175.890 175.504 0.386 1 1 1450 . 10 1 1 A 156 156 GLU CA C 156 53.775 54.963 -1.188 1 1 1451 . 10 1 1 A 156 156 GLU CB C 156 31.521 31.689 -0.168 1 1 1453 . 10 1 1 A 156 156 GLU N N 156 113.147 121.564 -8.417 1 1 1454 . 10 1 1 A 157 157 CYS H H 157 8.838 9.627 -0.789 1 1 1455 . 10 1 1 A 157 157 CYS HA H 157 5.324 5.205 0.119 1 1 1458 . 10 1 1 A 157 157 CYS C C 157 171.554 172.647 -1.093 1 1 1459 . 10 1 1 A 157 157 CYS CA C 157 55.749 57.453 -1.704 1 1 1460 . 10 1 1 A 157 157 CYS CB C 157 32.041 30.844 1.197 1 1 1461 . 10 1 1 A 157 157 CYS N N 157 111.910 122.827 -10.917 1 1 1462 . 10 1 1 A 158 158 SER H H 158 8.277 8.797 -0.520 1 1 1463 . 10 1 1 A 158 158 SER HA H 158 5.211 4.782 0.429 1 1 1466 . 10 1 1 A 158 158 SER C C 158 176.246 175.101 1.145 1 1 1467 . 10 1 1 A 158 158 SER CA C 158 55.892 56.192 -0.300 1 1 1468 . 10 1 1 A 158 158 SER CB C 158 65.035 64.704 0.331 1 1 1469 . 10 1 1 A 158 158 SER N N 158 110.284 119.108 -8.824 1 1 1470 . 10 1 1 A 159 159 ALA H H 159 9.297 8.942 0.355 1 1 1471 . 10 1 1 A 159 159 ALA HA H 159 4.210 3.870 0.340 1 1 1475 . 10 1 1 A 159 159 ALA C C 159 177.030 179.243 -2.213 1 1 1476 . 10 1 1 A 159 159 ALA CA C 159 54.522 54.714 -0.192 1 1 1477 . 10 1 1 A 159 159 ALA CB C 159 18.828 18.215 0.613 1 1 1478 . 10 1 1 A 159 159 ALA N N 159 132.318 130.752 1.566 1 1 1479 . 10 1 1 A 160 160 LEU H H 160 7.361 7.508 -0.147 1 1 1480 . 10 1 1 A 160 160 LEU HA H 160 3.307 3.753 -0.446 1 1 1485 . 10 1 1 A 160 160 LEU C C 160 177.619 176.579 1.040 1 1 1486 . 10 1 1 A 160 160 LEU CA C 160 57.497 56.991 0.506 1 1 1487 . 10 1 1 A 160 160 LEU CB C 160 43.255 42.043 1.212 1 1 1490 . 10 1 1 A 160 160 LEU N N 160 118.308 117.448 0.860 1 1 1491 . 10 1 1 A 161 161 THR H H 161 8.109 7.376 0.733 1 1 1492 . 10 1 1 A 161 161 THR HA H 161 4.218 4.569 -0.351 1 1 1497 . 10 1 1 A 161 161 THR C C 161 176.064 174.186 1.878 1 1 1498 . 10 1 1 A 161 161 THR CA C 161 61.435 59.145 2.290 1 1 1499 . 10 1 1 A 161 161 THR CB C 161 69.809 71.828 -2.019 1 1 1501 . 10 1 1 A 161 161 THR N N 161 106.273 109.998 -3.725 1 1 1502 . 10 1 1 A 162 162 GLN H H 162 7.457 8.574 -1.117 1 1 1503 . 10 1 1 A 162 162 GLN HA H 162 3.923 4.254 -0.331 1 1 1509 . 10 1 1 A 162 162 GLN C C 162 174.988 176.670 -1.682 1 1 1510 . 10 1 1 A 162 162 GLN CA C 162 59.015 57.283 1.732 1 1 1511 . 10 1 1 A 162 162 GLN CB C 162 25.425 28.285 -2.860 1 1 1513 . 10 1 1 A 162 162 GLN N N 162 112.744 118.566 -5.822 1 1 1515 . 10 1 1 A 163 163 LYS H H 163 7.831 7.477 0.354 1 1 1516 . 10 1 1 A 163 163 LYS HA H 163 4.163 4.241 -0.078 1 1 1519 . 10 1 1 A 163 163 LYS C C 163 177.322 178.124 -0.802 1 1 1520 . 10 1 1 A 163 163 LYS CA C 163 58.055 57.019 1.036 1 1 1521 . 10 1 1 A 163 163 LYS CB C 163 32.041 32.214 -0.173 1 1 1525 . 10 1 1 A 163 163 LYS N N 163 124.132 118.445 5.687 1 1 1526 . 10 1 1 A 164 164 GLY H H 164 9.133 7.784 1.349 1 1 1527 . 10 1 1 A 164 164 GLY HA2 H 164 4.293 3.691 0.602 1 1 1528 . 10 1 1 A 164 164 GLY HA3 H 164 3.860 3.712 0.148 1 1 1529 . 10 1 1 A 164 164 GLY C C 164 174.825 175.308 -0.483 1 1 1530 . 10 1 1 A 164 164 GLY CA C 164 46.375 46.788 -0.413 1 1 1531 . 10 1 1 A 164 164 GLY N N 164 114.473 108.636 5.837 1 1 1532 . 10 1 1 A 165 165 LEU H H 165 7.400 8.240 -0.840 1 1 1533 . 10 1 1 A 165 165 LEU HA H 165 3.792 4.098 -0.306 1 1 1538 . 10 1 1 A 165 165 LEU C C 165 176.722 179.162 -2.440 1 1 1539 . 10 1 1 A 165 165 LEU CA C 165 58.737 57.884 0.853 1 1 1540 . 10 1 1 A 165 165 LEU CB C 165 43.498 41.347 2.151 1 1 1543 . 10 1 1 A 165 165 LEU N N 165 121.187 122.009 -0.822 1 1 1544 . 10 1 1 A 166 166 LYS H H 166 8.580 7.647 0.933 1 1 1545 . 10 1 1 A 166 166 LYS HA H 166 4.151 4.012 0.139 1 1 1548 . 10 1 1 A 166 166 LYS C C 166 179.204 179.818 -0.614 1 1 1549 . 10 1 1 A 166 166 LYS CA C 166 60.208 59.938 0.270 1 1 1550 . 10 1 1 A 166 166 LYS CB C 166 31.801 31.966 -0.165 1 1 1554 . 10 1 1 A 166 166 LYS N N 166 116.769 118.202 -1.433 1 1 1555 . 10 1 1 A 167 167 ASN H H 167 8.125 8.038 0.087 1 1 1556 . 10 1 1 A 167 167 ASN HA H 167 4.349 4.600 -0.251 1 1 1559 . 10 1 1 A 167 167 ASN C C 167 175.612 177.326 -1.714 1 1 1560 . 10 1 1 A 167 167 ASN CA C 167 56.686 56.190 0.496 1 1 1561 . 10 1 1 A 167 167 ASN CB C 167 38.650 38.887 -0.237 1 1 1562 . 10 1 1 A 167 167 ASN N N 167 114.773 117.570 -2.797 1 1 1563 . 10 1 1 A 168 168 VAL H H 168 7.365 7.303 0.062 1 1 1564 . 10 1 1 A 168 168 VAL HA H 168 2.910 4.118 -1.208 1 1 1569 . 10 1 1 A 168 168 VAL C C 168 175.770 177.731 -1.961 1 1 1570 . 10 1 1 A 168 168 VAL CA C 168 67.103 63.480 3.623 1 1 1571 . 10 1 1 A 168 168 VAL CB C 168 30.845 31.744 -0.899 1 1 1574 . 10 1 1 A 168 168 VAL N N 168 117.042 114.934 2.108 1 1 1575 . 10 1 1 A 169 169 PHE H H 169 6.368 7.765 -1.397 1 1 1576 . 10 1 1 A 169 169 PHE HA H 169 3.751 4.127 -0.376 1 1 1579 . 10 1 1 A 169 169 PHE C C 169 178.202 177.291 0.911 1 1 1580 . 10 1 1 A 169 169 PHE CA C 169 61.975 61.370 0.605 1 1 1581 . 10 1 1 A 169 169 PHE CB C 169 38.990 39.176 -0.186 1 1 1582 . 10 1 1 A 169 169 PHE N N 169 113.983 123.497 -9.514 1 1 1583 . 10 1 1 A 170 170 ASP H H 170 7.906 8.437 -0.531 1 1 1584 . 10 1 1 A 170 170 ASP HA H 170 4.338 4.154 0.184 1 1 1586 . 10 1 1 A 170 170 ASP C C 170 178.596 179.366 -0.770 1 1 1587 . 10 1 1 A 170 170 ASP CA C 170 57.540 57.480 0.060 1 1 1588 . 10 1 1 A 170 170 ASP CB C 170 39.481 40.161 -0.680 1 1 1589 . 10 1 1 A 170 170 ASP N N 170 120.793 120.074 0.719 1 1 1590 . 10 1 1 A 171 171 GLU H H 171 8.048 8.005 0.043 1 1 1591 . 10 1 1 A 171 171 GLU HA H 171 3.989 3.957 0.032 1 1 1594 . 10 1 1 A 171 171 GLU C C 171 179.405 179.283 0.122 1 1 1595 . 10 1 1 A 171 171 GLU CA C 171 58.130 59.043 -0.913 1 1 1596 . 10 1 1 A 171 171 GLU CB C 171 27.546 29.009 -1.463 1 1 1598 . 10 1 1 A 171 171 GLU N N 171 115.893 119.538 -3.645 1 1 1599 . 10 1 1 A 172 172 ALA H H 172 7.937 7.823 0.114 1 1 1600 . 10 1 1 A 172 172 ALA HA H 172 3.759 3.945 -0.186 1 1 1604 . 10 1 1 A 172 172 ALA C C 172 177.968 180.464 -2.496 1 1 1605 . 10 1 1 A 172 172 ALA CA C 172 55.395 55.088 0.307 1 1 1606 . 10 1 1 A 172 172 ALA CB C 172 17.084 17.949 -0.865 1 1 1607 . 10 1 1 A 172 172 ALA N N 172 123.733 122.817 0.916 1 1 1608 . 10 1 1 A 173 173 ILE H H 173 7.645 7.092 0.553 1 1 1609 . 10 1 1 A 173 173 ILE HA H 173 3.314 3.641 -0.327 1 1 1615 . 10 1 1 A 173 173 ILE C C 173 177.082 178.065 -0.983 1 1 1616 . 10 1 1 A 173 173 ILE CA C 173 65.755 64.332 1.423 1 1 1617 . 10 1 1 A 173 173 ILE CB C 173 37.448 37.895 -0.447 1 1 1621 . 10 1 1 A 173 173 ILE N N 173 116.213 118.883 -2.670 1 1 1622 . 10 1 1 A 174 174 LEU H H 174 7.703 7.671 0.032 1 1 1623 . 10 1 1 A 174 174 LEU HA H 174 3.760 3.969 -0.209 1 1 1629 . 10 1 1 A 174 174 LEU C C 174 179.847 178.120 1.727 1 1 1630 . 10 1 1 A 174 174 LEU CA C 174 58.049 57.925 0.124 1 1 1631 . 10 1 1 A 174 174 LEU CB C 174 40.973 41.404 -0.431 1 1 1634 . 10 1 1 A 174 174 LEU N N 174 116.496 121.307 -4.811 1 1 1635 . 10 1 1 A 175 175 ALA H H 175 7.927 8.324 -0.397 1 1 1636 . 10 1 1 A 175 175 ALA HA H 175 4.057 3.914 0.143 1 1 1640 . 10 1 1 A 175 175 ALA C C 175 178.605 179.458 -0.853 1 1 1641 . 10 1 1 A 175 175 ALA CA C 175 54.004 55.109 -1.105 1 1 1642 . 10 1 1 A 175 175 ALA CB C 175 18.464 18.339 0.125 1 1 1643 . 10 1 1 A 175 175 ALA N N 175 118.760 120.623 -1.863 1 1 1644 . 10 1 1 A 176 176 ALA H H 176 7.647 7.670 -0.023 1 1 1645 . 10 1 1 A 176 176 ALA HA H 176 4.035 4.065 -0.030 1 1 1649 . 10 1 1 A 176 176 ALA C C 176 178.284 179.900 -1.616 1 1 1650 . 10 1 1 A 176 176 ALA CA C 176 53.335 54.703 -1.368 1 1 1651 . 10 1 1 A 176 176 ALA CB C 176 18.985 18.449 0.536 1 1 1652 . 10 1 1 A 176 176 ALA N N 176 117.532 120.617 -3.085 1 1 1653 . 10 1 1 A 177 177 LEU H H 177 7.419 7.725 -0.306 1 1 1654 . 10 1 1 A 177 177 LEU HA H 177 4.210 3.704 0.506 1 1 1658 . 10 1 1 A 177 177 LEU C C 177 174.091 178.891 -4.800 1 1 1659 . 10 1 1 A 177 177 LEU CA C 177 55.035 57.881 -2.846 1 1 1660 . 10 1 1 A 177 177 LEU CB C 177 42.340 41.246 1.094 1 1 1663 . 10 1 1 A 177 177 LEU N N 177 115.220 119.386 -4.166 1 1 9 . 11 1 1 A 2 2 GLN H H 2 8.458 8.673 -0.215 1 1 10 . 11 1 1 A 2 2 GLN HA H 2 4.330 4.084 0.246 1 1 17 . 11 1 1 A 2 2 GLN C C 2 176.274 174.416 1.858 1 1 18 . 11 1 1 A 2 2 GLN CA C 2 55.806 56.430 -0.624 1 1 19 . 11 1 1 A 2 2 GLN CB C 2 32.011 27.605 4.406 1 1 21 . 11 1 1 A 2 2 GLN N N 2 121.530 120.202 1.328 1 1 23 . 11 1 1 A 3 3 THR H H 3 7.618 7.983 -0.365 1 1 24 . 11 1 1 A 3 3 THR HA H 3 4.683 4.995 -0.312 1 1 29 . 11 1 1 A 3 3 THR C C 3 173.331 172.405 0.926 1 1 30 . 11 1 1 A 3 3 THR CA C 3 61.640 59.876 1.764 1 1 31 . 11 1 1 A 3 3 THR CB C 3 70.160 71.606 -1.446 1 1 33 . 11 1 1 A 3 3 THR N N 3 120.510 116.005 4.505 1 1 34 . 11 1 1 A 4 4 ILE H H 4 9.077 9.015 0.062 1 1 35 . 11 1 1 A 4 4 ILE HA H 4 4.418 4.598 -0.180 1 1 38 . 11 1 1 A 4 4 ILE C C 4 173.824 174.873 -1.049 1 1 39 . 11 1 1 A 4 4 ILE CA C 4 59.775 60.386 -0.611 1 1 40 . 11 1 1 A 4 4 ILE CB C 4 40.441 40.352 0.089 1 1 44 . 11 1 1 A 4 4 ILE N N 4 127.486 124.616 2.870 1 1 45 . 11 1 1 A 5 5 LYS H H 5 10.666 8.969 1.697 1 1 46 . 11 1 1 A 5 5 LYS HA H 5 4.773 5.005 -0.232 1 1 47 . 11 1 1 A 5 5 LYS C C 5 174.398 175.141 -0.743 1 1 48 . 11 1 1 A 5 5 LYS CA C 5 56.175 55.591 0.584 1 1 49 . 11 1 1 A 5 5 LYS CB C 5 31.965 33.827 -1.862 1 1 52 . 11 1 1 A 5 5 LYS N N 5 131.626 127.160 4.466 1 1 53 . 11 1 1 A 6 6 CYS H H 6 9.473 8.745 0.728 1 1 54 . 11 1 1 A 6 6 CYS HA H 6 5.580 5.100 0.480 1 1 57 . 11 1 1 A 6 6 CYS C C 6 172.210 172.986 -0.776 1 1 58 . 11 1 1 A 6 6 CYS CA C 6 56.195 56.825 -0.630 1 1 59 . 11 1 1 A 6 6 CYS CB C 6 28.604 29.566 -0.962 1 1 60 . 11 1 1 A 6 6 CYS N N 6 131.522 123.703 7.819 1 1 61 . 11 1 1 A 7 7 VAL H H 7 7.607 8.169 -0.562 1 1 62 . 11 1 1 A 7 7 VAL HA H 7 5.014 4.899 0.115 1 1 70 . 11 1 1 A 7 7 VAL C C 7 174.077 174.391 -0.314 1 1 71 . 11 1 1 A 7 7 VAL CA C 7 60.575 60.911 -0.336 1 1 72 . 11 1 1 A 7 7 VAL CB C 7 33.100 34.748 -1.648 1 1 74 . 11 1 1 A 7 7 VAL N N 7 128.326 126.954 1.372 1 1 75 . 11 1 1 A 8 8 VAL H H 8 8.566 8.570 -0.004 1 1 76 . 11 1 1 A 8 8 VAL HA H 8 4.784 4.468 0.316 1 1 84 . 11 1 1 A 8 8 VAL C C 8 174.443 175.100 -0.657 1 1 85 . 11 1 1 A 8 8 VAL CA C 8 61.573 60.997 0.576 1 1 86 . 11 1 1 A 8 8 VAL CB C 8 32.367 33.348 -0.981 1 1 88 . 11 1 1 A 8 8 VAL N N 8 127.481 126.889 0.592 1 1 89 . 11 1 1 A 9 9 VAL H H 9 8.923 8.290 0.633 1 1 90 . 11 1 1 A 9 9 VAL HA H 9 4.419 4.741 -0.322 1 1 98 . 11 1 1 A 9 9 VAL C C 9 173.171 175.192 -2.021 1 1 99 . 11 1 1 A 9 9 VAL CA C 9 58.397 60.505 -2.108 1 1 100 . 11 1 1 A 9 9 VAL CB C 9 35.085 35.456 -0.371 1 1 102 . 11 1 1 A 9 9 VAL N N 9 116.900 126.264 -9.364 1 1 103 . 11 1 1 A 10 10 GLY H H 10 6.267 8.496 -2.229 1 1 104 . 11 1 1 A 10 10 GLY HA2 H 10 4.159 4.095 0.064 1 1 105 . 11 1 1 A 10 10 GLY HA3 H 10 1.722 4.156 -2.434 1 1 106 . 11 1 1 A 10 10 GLY C C 10 172.378 174.248 -1.870 1 1 107 . 11 1 1 A 10 10 GLY CA C 10 42.935 45.606 -2.671 1 1 108 . 11 1 1 A 10 10 GLY N N 10 106.077 113.463 -7.386 1 1 109 . 11 1 1 A 11 11 ASP H H 11 8.399 9.365 -0.966 1 1 110 . 11 1 1 A 11 11 ASP HA H 11 4.737 4.677 0.060 1 1 112 . 11 1 1 A 11 11 ASP C C 11 177.486 177.350 0.136 1 1 113 . 11 1 1 A 11 11 ASP CA C 11 55.635 57.206 -1.571 1 1 114 . 11 1 1 A 11 11 ASP CB C 11 41.076 41.140 -0.064 1 1 115 . 11 1 1 A 11 11 ASP N N 11 119.142 124.639 -5.497 1 1 116 . 11 1 1 A 12 12 GLY H H 12 8.902 8.031 0.871 1 1 117 . 11 1 1 A 12 12 GLY HA2 H 12 3.954 4.036 -0.082 1 1 118 . 11 1 1 A 12 12 GLY HA3 H 12 3.718 4.069 -0.351 1 1 119 . 11 1 1 A 12 12 GLY C C 12 173.624 173.184 0.440 1 1 120 . 11 1 1 A 12 12 GLY CA C 12 46.955 45.452 1.503 1 1 121 . 11 1 1 A 12 12 GLY N N 12 104.688 106.730 -2.042 1 1 122 . 11 1 1 A 13 13 ALA H H 13 10.666 8.647 2.019 1 1 123 . 11 1 1 A 13 13 ALA HA H 13 4.067 4.661 -0.594 1 1 127 . 11 1 1 A 13 13 ALA CA C 13 53.455 52.254 1.201 1 1 128 . 11 1 1 A 13 13 ALA CB C 13 15.706 20.008 -4.302 1 1 129 . 11 1 1 A 13 13 ALA N N 13 123.135 124.081 -0.946 1 1 130 . 11 1 1 A 14 14 VAL H H 14 7.663 8.716 -1.053 1 1 131 . 11 1 1 A 14 14 VAL HA H 14 4.146 3.693 0.453 1 1 132 . 11 1 1 A 14 14 VAL C C 14 175.007 177.746 -2.739 1 1 133 . 11 1 1 A 14 14 VAL CA C 14 62.015 66.375 -4.360 1 1 134 . 11 1 1 A 14 14 VAL N N 14 118.803 122.505 -3.702 1 1 135 . 11 1 1 A 15 15 GLY H H 15 8.686 8.109 0.577 1 1 136 . 11 1 1 A 15 15 GLY HA2 H 15 4.838 4.015 0.823 1 1 137 . 11 1 1 A 15 15 GLY HA3 H 15 4.312 4.015 0.297 1 1 138 . 11 1 1 A 15 15 GLY C C 15 175.934 175.659 0.275 1 1 139 . 11 1 1 A 15 15 GLY CA C 15 44.835 46.428 -1.593 1 1 140 . 11 1 1 A 15 15 GLY N N 15 110.360 108.668 1.692 1 1 141 . 11 1 1 A 16 16 LYS H H 16 10.352 7.603 2.749 1 1 142 . 11 1 1 A 16 16 LYS HA H 16 3.575 4.120 -0.545 1 1 143 . 11 1 1 A 16 16 LYS C C 16 176.582 178.514 -1.932 1 1 144 . 11 1 1 A 16 16 LYS CA C 16 60.695 59.118 1.577 1 1 145 . 11 1 1 A 16 16 LYS CB C 16 29.661 32.022 -2.361 1 1 146 . 11 1 1 A 16 16 LYS N N 16 125.835 119.702 6.133 1 1 147 . 11 1 1 A 17 17 THR H H 17 9.024 8.225 0.799 1 1 148 . 11 1 1 A 17 17 THR HA H 17 3.930 3.935 -0.005 1 1 153 . 11 1 1 A 17 17 THR C C 17 177.493 176.019 1.474 1 1 154 . 11 1 1 A 17 17 THR CA C 17 66.984 66.540 0.444 1 1 155 . 11 1 1 A 17 17 THR CB C 17 67.298 68.093 -0.795 1 1 157 . 11 1 1 A 17 17 THR N N 17 118.089 115.996 2.093 1 1 158 . 11 1 1 A 18 18 CYS H H 18 9.773 8.313 1.460 1 1 159 . 11 1 1 A 18 18 CYS HA H 18 3.580 4.064 -0.484 1 1 162 . 11 1 1 A 18 18 CYS C C 18 176.716 177.328 -0.612 1 1 163 . 11 1 1 A 18 18 CYS CA C 18 65.816 62.601 3.215 1 1 164 . 11 1 1 A 18 18 CYS CB C 18 27.655 27.560 0.095 1 1 165 . 11 1 1 A 18 18 CYS N N 18 119.747 119.737 0.010 1 1 166 . 11 1 1 A 19 19 LEU H H 19 8.195 7.854 0.341 1 1 167 . 11 1 1 A 19 19 LEU HA H 19 3.940 4.129 -0.189 1 1 174 . 11 1 1 A 19 19 LEU C C 19 177.177 178.635 -1.458 1 1 175 . 11 1 1 A 19 19 LEU CA C 19 59.366 58.008 1.358 1 1 176 . 11 1 1 A 19 19 LEU CB C 19 41.377 41.625 -0.248 1 1 178 . 11 1 1 A 19 19 LEU N N 19 121.557 122.338 -0.781 1 1 179 . 11 1 1 A 20 20 LEU H H 20 7.270 7.849 -0.579 1 1 180 . 11 1 1 A 20 20 LEU HA H 20 3.840 4.140 -0.300 1 1 189 . 11 1 1 A 20 20 LEU C C 20 180.155 179.008 1.147 1 1 190 . 11 1 1 A 20 20 LEU CA C 20 57.629 57.868 -0.239 1 1 191 . 11 1 1 A 20 20 LEU CB C 20 41.498 41.727 -0.229 1 1 194 . 11 1 1 A 20 20 LEU N N 20 117.986 117.720 0.266 1 1 195 . 11 1 1 A 21 21 ILE H H 21 8.619 7.949 0.670 1 1 196 . 11 1 1 A 21 21 ILE HA H 21 3.090 3.498 -0.408 1 1 202 . 11 1 1 A 21 21 ILE C C 21 179.125 177.798 1.327 1 1 203 . 11 1 1 A 21 21 ILE CA C 21 66.129 64.907 1.222 1 1 204 . 11 1 1 A 21 21 ILE CB C 21 38.338 37.537 0.801 1 1 208 . 11 1 1 A 21 21 ILE N N 21 121.078 120.798 0.280 1 1 209 . 11 1 1 A 22 22 SER H H 22 8.899 8.455 0.444 1 1 210 . 11 1 1 A 22 22 SER HA H 22 4.517 4.167 0.350 1 1 213 . 11 1 1 A 22 22 SER C C 22 176.876 176.199 0.677 1 1 214 . 11 1 1 A 22 22 SER CA C 22 61.380 63.061 -1.681 1 1 215 . 11 1 1 A 22 22 SER CB C 22 63.882 63.707 0.175 1 1 216 . 11 1 1 A 22 22 SER N N 22 118.286 116.179 2.107 1 1 217 . 11 1 1 A 23 23 TYR H H 23 7.951 7.530 0.421 1 1 218 . 11 1 1 A 23 23 TYR HA H 23 4.264 4.216 0.048 1 1 223 . 11 1 1 A 23 23 TYR C C 23 176.820 177.316 -0.496 1 1 224 . 11 1 1 A 23 23 TYR CA C 23 60.474 61.511 -1.037 1 1 225 . 11 1 1 A 23 23 TYR CB C 23 39.531 38.962 0.569 1 1 226 . 11 1 1 A 23 23 TYR N N 23 117.292 123.234 -5.942 1 1 227 . 11 1 1 A 24 24 THR H H 24 7.702 8.899 -1.197 1 1 228 . 11 1 1 A 24 24 THR HA H 24 3.614 3.866 -0.252 1 1 233 . 11 1 1 A 24 24 THR C C 24 176.500 175.413 1.087 1 1 234 . 11 1 1 A 24 24 THR CA C 24 64.095 66.363 -2.268 1 1 235 . 11 1 1 A 24 24 THR CB C 24 70.437 68.573 1.864 1 1 237 . 11 1 1 A 24 24 THR N N 24 105.659 115.150 -9.491 1 1 238 . 11 1 1 A 25 25 THR H H 25 8.080 8.204 -0.124 1 1 239 . 11 1 1 A 25 25 THR HA H 25 4.556 4.519 0.037 1 1 244 . 11 1 1 A 25 25 THR C C 25 175.025 173.987 1.038 1 1 245 . 11 1 1 A 25 25 THR CA C 25 61.975 60.701 1.274 1 1 246 . 11 1 1 A 25 25 THR CB C 25 72.012 69.186 2.826 1 1 248 . 11 1 1 A 25 25 THR N N 25 109.689 111.254 -1.565 1 1 249 . 11 1 1 A 26 26 ASN H H 26 7.603 7.979 -0.376 1 1 250 . 11 1 1 A 26 26 ASN HA H 26 4.501 5.040 -0.539 1 1 253 . 11 1 1 A 26 26 ASN C C 26 173.259 174.518 -1.259 1 1 254 . 11 1 1 A 26 26 ASN CA C 26 55.218 52.511 2.707 1 1 255 . 11 1 1 A 26 26 ASN CB C 26 38.009 39.480 -1.471 1 1 256 . 11 1 1 A 26 26 ASN N N 26 115.569 118.462 -2.893 1 1 257 . 11 1 1 A 27 27 LYS H H 27 7.698 7.251 0.447 1 1 258 . 11 1 1 A 27 27 LYS HA H 27 4.431 4.102 0.329 1 1 261 . 11 1 1 A 27 27 LYS C C 27 173.500 176.156 -2.656 1 1 262 . 11 1 1 A 27 27 LYS CA C 27 55.163 54.805 0.358 1 1 263 . 11 1 1 A 27 27 LYS CB C 27 35.034 32.107 2.927 1 1 267 . 11 1 1 A 27 27 LYS N N 27 118.253 119.330 -1.077 1 1 268 . 11 1 1 A 28 28 PHE H H 28 8.554 6.852 1.702 1 1 269 . 11 1 1 A 28 28 PHE CA C 28 55.575 60.855 -5.280 1 1 270 . 11 1 1 A 28 28 PHE CB C 28 39.322 37.919 1.403 1 1 271 . 11 1 1 A 28 28 PHE N N 28 125.682 122.501 3.181 1 1 272 . 11 1 1 A 29 29 PRO HA H 29 4.373 4.309 0.064 1 1 274 . 11 1 1 A 29 29 PRO C C 29 173.611 176.658 -3.047 1 1 275 . 11 1 1 A 29 29 PRO CA C 29 61.978 65.554 -3.576 1 1 276 . 11 1 1 A 29 29 PRO CB C 29 30.039 30.578 -0.539 1 1 279 . 11 1 1 A 30 30 SER H H 30 7.993 8.035 -0.042 1 1 280 . 11 1 1 A 30 30 SER HA H 30 4.285 4.191 0.094 1 1 283 . 11 1 1 A 30 30 SER C C 30 174.665 174.113 0.552 1 1 284 . 11 1 1 A 30 30 SER CA C 30 58.948 58.883 0.065 1 1 285 . 11 1 1 A 30 30 SER CB C 30 64.019 61.788 2.231 1 1 286 . 11 1 1 A 30 30 SER N N 30 116.682 112.796 3.886 1 1 287 . 11 1 1 A 31 31 GLU H H 31 8.198 7.851 0.347 1 1 288 . 11 1 1 A 31 31 GLU HA H 31 4.308 3.873 0.435 1 1 292 . 11 1 1 A 31 31 GLU C C 31 175.157 175.582 -0.425 1 1 293 . 11 1 1 A 31 31 GLU CA C 31 56.846 58.993 -2.147 1 1 294 . 11 1 1 A 31 31 GLU CB C 31 30.113 29.188 0.925 1 1 296 . 11 1 1 A 31 31 GLU N N 31 120.151 118.940 1.211 1 1 297 . 11 1 1 A 32 32 TYR H H 32 7.714 7.862 -0.148 1 1 298 . 11 1 1 A 32 32 TYR HA H 32 4.407 5.337 -0.930 1 1 302 . 11 1 1 A 32 32 TYR C C 32 173.544 174.539 -0.995 1 1 303 . 11 1 1 A 32 32 TYR CA C 32 58.368 56.816 1.552 1 1 304 . 11 1 1 A 32 32 TYR CB C 32 38.614 41.073 -2.459 1 1 305 . 11 1 1 A 32 32 TYR N N 32 118.548 116.312 2.236 1 1 306 . 11 1 1 A 33 33 VAL H H 33 7.764 8.671 -0.907 1 1 307 . 11 1 1 A 33 33 VAL HA H 33 4.048 4.754 -0.706 1 1 315 . 11 1 1 A 33 33 VAL CA C 33 58.575 59.212 -0.637 1 1 316 . 11 1 1 A 33 33 VAL CB C 33 33.600 31.859 1.741 1 1 317 . 11 1 1 A 33 33 VAL N N 33 125.992 118.431 7.561 1 1 318 . 11 1 1 A 34 34 PRO HA H 34 4.215 4.479 -0.264 1 1 320 . 11 1 1 A 34 34 PRO C C 34 175.627 176.735 -1.108 1 1 321 . 11 1 1 A 34 34 PRO CA C 34 61.655 65.122 -3.467 1 1 322 . 11 1 1 A 34 34 PRO CB C 34 31.965 31.811 0.154 1 1 325 . 11 1 1 A 35 35 ALA H H 35 8.503 7.726 0.777 1 1 326 . 11 1 1 A 35 35 ALA HA H 35 4.190 4.638 -0.448 1 1 330 . 11 1 1 A 35 35 ALA C C 35 178.295 177.300 0.995 1 1 331 . 11 1 1 A 35 35 ALA CA C 35 54.499 51.670 2.829 1 1 332 . 11 1 1 A 35 35 ALA CB C 35 18.235 19.280 -1.045 1 1 333 . 11 1 1 A 35 35 ALA N N 35 123.063 118.792 4.271 1 1 334 . 11 1 1 A 36 36 VAL H H 36 8.032 8.007 0.025 1 1 335 . 11 1 1 A 36 36 VAL HA H 36 4.258 3.657 0.601 1 1 340 . 11 1 1 A 36 36 VAL CA C 36 60.200 65.309 -5.109 1 1 341 . 11 1 1 A 36 36 VAL CB C 36 29.879 31.712 -1.833 1 1 342 . 11 1 1 A 36 36 VAL N N 36 116.770 117.541 -0.771 1 1 344 . 11 1 1 A 37 37 PHE C C 37 174.502 175.017 -0.515 1 1 345 . 11 1 1 A 37 37 PHE CA C 37 56.175 56.564 -0.389 1 1 346 . 11 1 1 A 37 37 PHE CB C 37 40.231 41.288 -1.057 1 1 347 . 11 1 1 A 38 38 ASP H H 38 7.602 8.766 -1.164 1 1 348 . 11 1 1 A 38 38 ASP HA H 38 4.343 4.732 -0.389 1 1 351 . 11 1 1 A 38 38 ASP C C 38 174.386 175.231 -0.845 1 1 352 . 11 1 1 A 38 38 ASP CA C 38 54.323 52.413 1.910 1 1 353 . 11 1 1 A 38 38 ASP CB C 38 40.815 42.360 -1.545 1 1 354 . 11 1 1 A 38 38 ASP N N 38 125.774 123.706 2.068 1 1 355 . 11 1 1 A 39 39 ASN H H 39 7.917 8.345 -0.428 1 1 356 . 11 1 1 A 39 39 ASN HA H 39 4.303 4.759 -0.456 1 1 360 . 11 1 1 A 39 39 ASN C C 39 173.897 173.817 0.080 1 1 361 . 11 1 1 A 39 39 ASN CA C 39 54.317 54.148 0.169 1 1 362 . 11 1 1 A 39 39 ASN CB C 39 38.180 38.834 -0.654 1 1 363 . 11 1 1 A 39 39 ASN N N 39 117.429 119.832 -2.403 1 1 365 . 11 1 1 A 40 40 TYR H H 40 7.726 8.708 -0.982 1 1 366 . 11 1 1 A 40 40 TYR HA H 40 4.513 5.259 -0.746 1 1 370 . 11 1 1 A 40 40 TYR C C 40 172.772 173.272 -0.500 1 1 371 . 11 1 1 A 40 40 TYR CA C 40 57.335 56.570 0.765 1 1 372 . 11 1 1 A 40 40 TYR CB C 40 42.956 42.583 0.373 1 1 373 . 11 1 1 A 40 40 TYR N N 40 122.998 126.695 -3.697 1 1 374 . 11 1 1 A 41 41 ALA H H 41 7.651 7.829 -0.178 1 1 375 . 11 1 1 A 41 41 ALA HA H 41 5.636 5.190 0.446 1 1 379 . 11 1 1 A 41 41 ALA C C 41 175.778 175.844 -0.066 1 1 380 . 11 1 1 A 41 41 ALA CA C 41 50.456 50.090 0.366 1 1 381 . 11 1 1 A 41 41 ALA CB C 41 20.492 21.573 -1.081 1 1 382 . 11 1 1 A 41 41 ALA N N 41 127.028 127.634 -0.606 1 1 383 . 11 1 1 A 42 42 VAL H H 42 8.781 8.665 0.116 1 1 384 . 11 1 1 A 42 42 VAL HA H 42 4.564 5.057 -0.493 1 1 389 . 11 1 1 A 42 42 VAL C C 42 173.852 174.460 -0.608 1 1 390 . 11 1 1 A 42 42 VAL CA C 42 59.278 60.827 -1.549 1 1 391 . 11 1 1 A 42 42 VAL CB C 42 35.342 34.537 0.805 1 1 393 . 11 1 1 A 42 42 VAL N N 42 117.471 121.162 -3.691 1 1 394 . 11 1 1 A 43 43 THR H H 43 8.566 8.786 -0.220 1 1 395 . 11 1 1 A 43 43 THR HA H 43 5.124 4.912 0.212 1 1 400 . 11 1 1 A 43 43 THR C C 43 174.210 174.067 0.143 1 1 401 . 11 1 1 A 43 43 THR CA C 43 62.434 61.886 0.548 1 1 402 . 11 1 1 A 43 43 THR CB C 43 69.296 70.760 -1.464 1 1 404 . 11 1 1 A 43 43 THR N N 43 120.850 124.032 -3.182 1 1 405 . 11 1 1 A 44 44 VAL H H 44 9.442 8.879 0.563 1 1 406 . 11 1 1 A 44 44 VAL HA H 44 4.367 4.725 -0.358 1 1 411 . 11 1 1 A 44 44 VAL C C 44 174.061 174.913 -0.852 1 1 412 . 11 1 1 A 44 44 VAL CA C 44 60.639 61.145 -0.506 1 1 413 . 11 1 1 A 44 44 VAL CB C 44 35.053 34.341 0.712 1 1 415 . 11 1 1 A 44 44 VAL N N 44 127.764 126.868 0.896 1 1 416 . 11 1 1 A 45 45 MET H H 45 8.513 8.830 -0.317 1 1 417 . 11 1 1 A 45 45 MET HA H 45 5.272 5.216 0.056 1 1 421 . 11 1 1 A 45 45 MET C C 45 176.395 174.910 1.485 1 1 422 . 11 1 1 A 45 45 MET CA C 45 53.264 53.566 -0.302 1 1 423 . 11 1 1 A 45 45 MET CB C 45 31.692 33.969 -2.277 1 1 424 . 11 1 1 A 45 45 MET N N 45 123.063 124.662 -1.599 1 1 425 . 11 1 1 A 46 46 ILE H H 46 9.103 8.827 0.276 1 1 426 . 11 1 1 A 46 46 ILE HA H 46 4.382 4.739 -0.357 1 1 434 . 11 1 1 A 46 46 ILE C C 46 177.661 177.479 0.182 1 1 435 . 11 1 1 A 46 46 ILE CA C 46 59.755 59.692 0.063 1 1 436 . 11 1 1 A 46 46 ILE CB C 46 38.913 41.437 -2.524 1 1 440 . 11 1 1 A 46 46 ILE N N 46 125.267 124.441 0.826 1 1 441 . 11 1 1 A 47 47 GLY H H 47 9.385 9.086 0.299 1 1 442 . 11 1 1 A 47 47 GLY HA2 H 47 4.755 3.873 0.882 1 1 443 . 11 1 1 A 47 47 GLY HA3 H 47 3.851 3.876 -0.025 1 1 444 . 11 1 1 A 47 47 GLY C C 47 175.195 176.093 -0.898 1 1 445 . 11 1 1 A 47 47 GLY CA C 47 47.015 47.389 -0.374 1 1 446 . 11 1 1 A 47 47 GLY N N 47 119.278 113.991 5.287 1 1 447 . 11 1 1 A 48 48 GLY H H 48 8.606 8.267 0.339 1 1 448 . 11 1 1 A 48 48 GLY HA2 H 48 4.140 3.853 0.287 1 1 449 . 11 1 1 A 48 48 GLY HA3 H 48 3.623 3.890 -0.267 1 1 450 . 11 1 1 A 48 48 GLY C C 48 172.844 173.818 -0.974 1 1 451 . 11 1 1 A 48 48 GLY CA C 48 44.889 46.726 -1.837 1 1 452 . 11 1 1 A 48 48 GLY N N 48 104.656 109.180 -4.524 1 1 453 . 11 1 1 A 49 49 GLU H H 49 7.722 8.266 -0.544 1 1 454 . 11 1 1 A 49 49 GLU HA H 49 4.182 4.712 -0.530 1 1 457 . 11 1 1 A 49 49 GLU CA C 49 52.336 53.015 -0.679 1 1 458 . 11 1 1 A 49 49 GLU CB C 49 31.160 30.965 0.195 1 1 459 . 11 1 1 A 49 49 GLU N N 49 120.543 118.386 2.157 1 1 460 . 11 1 1 A 50 50 PRO HA H 50 4.977 4.794 0.183 1 1 462 . 11 1 1 A 50 50 PRO C C 50 177.922 175.347 2.575 1 1 463 . 11 1 1 A 50 50 PRO CA C 50 62.080 62.444 -0.364 1 1 464 . 11 1 1 A 50 50 PRO CB C 50 32.147 32.673 -0.526 1 1 465 . 11 1 1 A 51 51 TYR H H 51 9.148 8.484 0.664 1 1 466 . 11 1 1 A 51 51 TYR HA H 51 4.683 5.324 -0.641 1 1 470 . 11 1 1 A 51 51 TYR C C 51 176.400 174.512 1.888 1 1 471 . 11 1 1 A 51 51 TYR CA C 51 57.344 56.642 0.702 1 1 472 . 11 1 1 A 51 51 TYR CB C 51 41.669 43.504 -1.835 1 1 473 . 11 1 1 A 51 51 TYR N N 51 121.300 123.254 -1.954 1 1 474 . 11 1 1 A 52 52 THR H H 52 8.889 9.032 -0.143 1 1 475 . 11 1 1 A 52 52 THR HA H 52 4.113 5.147 -1.034 1 1 477 . 11 1 1 A 52 52 THR C C 52 172.149 172.791 -0.642 1 1 478 . 11 1 1 A 52 52 THR CA C 52 62.400 59.577 2.823 1 1 479 . 11 1 1 A 52 52 THR CB C 52 69.447 71.514 -2.067 1 1 481 . 11 1 1 A 52 52 THR N N 52 119.482 113.287 6.195 1 1 482 . 11 1 1 A 53 53 LEU H H 53 9.480 9.024 0.456 1 1 483 . 11 1 1 A 53 53 LEU HA H 53 5.030 5.095 -0.065 1 1 491 . 11 1 1 A 53 53 LEU C C 53 174.307 174.812 -0.505 1 1 492 . 11 1 1 A 53 53 LEU CA C 53 53.375 53.689 -0.314 1 1 493 . 11 1 1 A 53 53 LEU CB C 53 44.216 44.965 -0.749 1 1 496 . 11 1 1 A 53 53 LEU N N 53 131.364 124.042 7.322 1 1 497 . 11 1 1 A 54 54 GLY H H 54 9.749 8.815 0.934 1 1 498 . 11 1 1 A 54 54 GLY HA2 H 54 4.571 4.059 0.512 1 1 499 . 11 1 1 A 54 54 GLY HA3 H 54 3.577 4.091 -0.514 1 1 500 . 11 1 1 A 54 54 GLY C C 54 171.929 171.880 0.049 1 1 501 . 11 1 1 A 54 54 GLY CA C 54 45.195 44.528 0.667 1 1 502 . 11 1 1 A 54 54 GLY N N 54 115.640 114.799 0.841 1 1 503 . 11 1 1 A 55 55 LEU H H 55 8.623 8.590 0.033 1 1 504 . 11 1 1 A 55 55 LEU HA H 55 5.104 4.969 0.135 1 1 510 . 11 1 1 A 55 55 LEU C C 55 176.000 175.707 0.293 1 1 511 . 11 1 1 A 55 55 LEU CA C 55 54.202 53.055 1.147 1 1 512 . 11 1 1 A 55 55 LEU CB C 55 44.057 43.635 0.422 1 1 515 . 11 1 1 A 55 55 LEU N N 55 125.141 125.711 -0.570 1 1 516 . 11 1 1 A 56 56 PHE H H 56 8.735 9.182 -0.447 1 1 517 . 11 1 1 A 56 56 PHE HA H 56 4.821 5.290 -0.469 1 1 521 . 11 1 1 A 56 56 PHE C C 56 173.130 174.500 -1.370 1 1 522 . 11 1 1 A 56 56 PHE CA C 56 56.833 56.210 0.623 1 1 523 . 11 1 1 A 56 56 PHE CB C 56 40.776 43.611 -2.835 1 1 524 . 11 1 1 A 56 56 PHE N N 56 122.065 122.732 -0.667 1 1 525 . 11 1 1 A 57 57 ASP H H 57 9.093 8.864 0.229 1 1 526 . 11 1 1 A 57 57 ASP HA H 57 4.877 5.277 -0.400 1 1 529 . 11 1 1 A 57 57 ASP C C 57 175.941 175.615 0.326 1 1 530 . 11 1 1 A 57 57 ASP CA C 57 51.755 52.712 -0.957 1 1 531 . 11 1 1 A 57 57 ASP CB C 57 43.082 45.351 -2.269 1 1 532 . 11 1 1 A 57 57 ASP N N 57 124.050 120.047 4.003 1 1 533 . 11 1 1 A 58 58 THR H H 58 8.621 8.521 0.100 1 1 534 . 11 1 1 A 58 58 THR HA H 58 3.905 4.947 -1.042 1 1 535 . 11 1 1 A 58 58 THR C C 58 172.124 174.170 -2.046 1 1 536 . 11 1 1 A 58 58 THR CA C 58 60.335 60.992 -0.657 1 1 537 . 11 1 1 A 58 58 THR CB C 58 74.469 70.599 3.870 1 1 538 . 11 1 1 A 58 58 THR N N 58 109.327 112.948 -3.621 1 1 539 . 11 1 1 A 59 59 ALA H H 59 8.695 8.940 -0.245 1 1 540 . 11 1 1 A 59 59 ALA HA H 59 4.565 4.982 -0.417 1 1 544 . 11 1 1 A 59 59 ALA CA C 59 50.475 51.514 -1.039 1 1 545 . 11 1 1 A 59 59 ALA CB C 59 18.224 23.688 -5.464 1 1 546 . 11 1 1 A 59 59 ALA N N 59 123.129 122.051 1.078 1 1 547 . 11 1 1 A 60 60 GLY H H 60 8.630 8.759 -0.129 1 1 548 . 11 1 1 A 60 60 GLY HA2 H 60 4.420 3.984 0.436 1 1 549 . 11 1 1 A 60 60 GLY HA3 H 60 3.902 4.200 -0.298 1 1 550 . 11 1 1 A 60 60 GLY C C 60 173.122 173.033 0.089 1 1 551 . 11 1 1 A 60 60 GLY CA C 60 46.178 46.301 -0.123 1 1 552 . 11 1 1 A 60 60 GLY N N 60 109.449 110.055 -0.606 1 1 553 . 11 1 1 A 61 61 GLN H H 61 8.553 7.971 0.582 1 1 554 . 11 1 1 A 61 61 GLN HA H 61 4.492 4.510 -0.018 1 1 560 . 11 1 1 A 61 61 GLN C C 61 177.014 176.155 0.859 1 1 561 . 11 1 1 A 61 61 GLN CA C 61 56.895 54.823 2.072 1 1 562 . 11 1 1 A 61 61 GLN CB C 61 28.863 30.342 -1.479 1 1 564 . 11 1 1 A 61 61 GLN N N 61 118.471 121.695 -3.224 1 1 566 . 11 1 1 A 62 62 GLU H H 62 9.082 9.156 -0.074 1 1 567 . 11 1 1 A 62 62 GLU HA H 62 4.292 4.205 0.087 1 1 570 . 11 1 1 A 62 62 GLU C C 62 178.273 176.197 2.076 1 1 571 . 11 1 1 A 62 62 GLU CA C 62 58.361 58.949 -0.588 1 1 572 . 11 1 1 A 62 62 GLU CB C 62 28.579 29.325 -0.746 1 1 574 . 11 1 1 A 62 62 GLU N N 62 122.087 127.096 -5.009 1 1 575 . 11 1 1 A 63 63 ASP H H 63 8.636 9.859 -1.223 1 1 576 . 11 1 1 A 63 63 ASP HA H 63 4.348 4.548 -0.200 1 1 579 . 11 1 1 A 63 63 ASP C C 63 176.712 176.061 0.651 1 1 580 . 11 1 1 A 63 63 ASP CA C 63 55.587 55.267 0.320 1 1 581 . 11 1 1 A 63 63 ASP CB C 63 39.571 39.355 0.216 1 1 582 . 11 1 1 A 63 63 ASP N N 63 117.009 116.781 0.228 1 1 583 . 11 1 1 A 64 64 TYR H H 64 8.061 8.127 -0.066 1 1 584 . 11 1 1 A 64 64 TYR HA H 64 4.609 4.500 0.109 1 1 587 . 11 1 1 A 64 64 TYR C C 64 176.254 177.086 -0.832 1 1 588 . 11 1 1 A 64 64 TYR CA C 64 58.231 59.129 -0.898 1 1 589 . 11 1 1 A 64 64 TYR CB C 64 38.650 38.859 -0.209 1 1 590 . 11 1 1 A 64 64 TYR N N 64 117.063 119.936 -2.873 1 1 591 . 11 1 1 A 65 65 ASP H H 65 8.064 7.895 0.169 1 1 592 . 11 1 1 A 65 65 ASP HA H 65 4.439 4.506 -0.067 1 1 594 . 11 1 1 A 65 65 ASP C C 65 175.163 176.566 -1.403 1 1 595 . 11 1 1 A 65 65 ASP CA C 65 57.971 56.733 1.238 1 1 596 . 11 1 1 A 65 65 ASP N N 65 122.196 120.003 2.193 1 1 597 . 11 1 1 A 66 66 ARG H H 66 8.537 7.643 0.894 1 1 598 . 11 1 1 A 66 66 ARG HA H 66 4.345 4.472 -0.127 1 1 599 . 11 1 1 A 66 66 ARG C C 66 175.009 175.256 -0.247 1 1 600 . 11 1 1 A 66 66 ARG CA C 66 56.217 55.568 0.649 1 1 601 . 11 1 1 A 66 66 ARG N N 66 122.224 117.553 4.671 1 1 602 . 11 1 1 A 67 67 LEU H H 67 8.336 7.594 0.742 1 1 603 . 11 1 1 A 67 67 LEU HA H 67 4.037 4.323 -0.286 1 1 604 . 11 1 1 A 67 67 LEU CA C 67 61.694 54.023 7.671 1 1 605 . 11 1 1 A 67 67 LEU N N 67 117.734 121.729 -3.995 1 1 607 . 11 1 1 A 69 69 PRO C C 69 178.122 177.856 0.266 1 1 608 . 11 1 1 A 69 69 PRO CA C 69 63.575 63.898 -0.323 1 1 611 . 11 1 1 A 70 70 LEU H H 70 7.470 8.095 -0.625 1 1 612 . 11 1 1 A 70 70 LEU HA H 70 4.031 4.099 -0.068 1 1 621 . 11 1 1 A 70 70 LEU C C 70 178.756 177.237 1.519 1 1 622 . 11 1 1 A 70 70 LEU CA C 70 56.944 57.862 -0.918 1 1 623 . 11 1 1 A 70 70 LEU CB C 70 40.002 41.684 -1.682 1 1 626 . 11 1 1 A 70 70 LEU N N 70 118.335 119.427 -1.092 1 1 627 . 11 1 1 A 71 71 SER H H 71 7.882 8.135 -0.253 1 1 628 . 11 1 1 A 71 71 SER HA H 71 4.461 4.514 -0.053 1 1 630 . 11 1 1 A 71 71 SER C C 71 179.200 173.062 6.138 1 1 631 . 11 1 1 A 71 71 SER CA C 71 59.710 59.107 0.603 1 1 632 . 11 1 1 A 71 71 SER CB C 71 63.841 62.666 1.175 1 1 633 . 11 1 1 A 71 71 SER N N 71 111.784 115.538 -3.754 1 1 634 . 11 1 1 A 72 72 TYR H H 72 7.362 7.666 -0.304 1 1 635 . 11 1 1 A 72 72 TYR CA C 72 56.002 55.263 0.739 1 1 636 . 11 1 1 A 72 72 TYR CB C 72 35.144 40.827 -5.683 1 1 637 . 11 1 1 A 72 72 TYR N N 72 119.959 119.109 0.850 1 1 638 . 11 1 1 A 73 73 PRO HA H 73 4.231 4.410 -0.179 1 1 639 . 11 1 1 A 73 73 PRO C C 73 176.096 176.493 -0.397 1 1 640 . 11 1 1 A 73 73 PRO CA C 73 66.055 64.728 1.327 1 1 641 . 11 1 1 A 73 73 PRO CB C 73 35.726 32.124 3.602 1 1 642 . 11 1 1 A 74 74 GLN H H 74 8.995 7.779 1.216 1 1 643 . 11 1 1 A 74 74 GLN HA H 74 3.790 4.845 -1.055 1 1 647 . 11 1 1 A 74 74 GLN C C 74 174.686 173.643 1.043 1 1 648 . 11 1 1 A 74 74 GLN CA C 74 57.416 55.652 1.764 1 1 649 . 11 1 1 A 74 74 GLN CB C 74 25.352 31.755 -6.403 1 1 651 . 11 1 1 A 74 74 GLN N N 74 114.768 115.777 -1.009 1 1 653 . 11 1 1 A 75 75 THR H H 75 7.504 8.946 -1.442 1 1 654 . 11 1 1 A 75 75 THR HA H 75 3.172 4.593 -1.421 1 1 659 . 11 1 1 A 75 75 THR C C 75 173.589 174.066 -0.477 1 1 660 . 11 1 1 A 75 75 THR CA C 75 67.162 61.599 5.563 1 1 661 . 11 1 1 A 75 75 THR CB C 75 61.122 70.669 -9.547 1 1 663 . 11 1 1 A 75 75 THR N N 75 116.725 121.809 -5.084 1 1 664 . 11 1 1 A 76 76 ASP H H 76 8.865 8.517 0.348 1 1 665 . 11 1 1 A 76 76 ASP HA H 76 4.873 4.458 0.415 1 1 668 . 11 1 1 A 76 76 ASP C C 76 177.600 176.295 1.305 1 1 669 . 11 1 1 A 76 76 ASP CA C 76 56.105 57.038 -0.933 1 1 670 . 11 1 1 A 76 76 ASP CB C 76 44.016 42.229 1.787 1 1 671 . 11 1 1 A 76 76 ASP N N 76 124.192 126.054 -1.862 1 1 672 . 11 1 1 A 77 77 VAL H H 77 7.578 7.852 -0.274 1 1 673 . 11 1 1 A 77 77 VAL HA H 77 4.706 4.620 0.086 1 1 681 . 11 1 1 A 77 77 VAL C C 77 171.266 173.469 -2.203 1 1 682 . 11 1 1 A 77 77 VAL CA C 77 60.346 60.927 -0.581 1 1 683 . 11 1 1 A 77 77 VAL CB C 77 32.362 35.301 -2.939 1 1 685 . 11 1 1 A 77 77 VAL N N 77 116.060 118.108 -2.048 1 1 686 . 11 1 1 A 78 78 PHE H H 78 8.287 8.943 -0.656 1 1 687 . 11 1 1 A 78 78 PHE HA H 78 5.646 5.286 0.360 1 1 690 . 11 1 1 A 78 78 PHE C C 78 175.799 173.685 2.114 1 1 691 . 11 1 1 A 78 78 PHE CA C 78 56.686 55.588 1.098 1 1 692 . 11 1 1 A 78 78 PHE CB C 78 43.413 41.882 1.531 1 1 693 . 11 1 1 A 78 78 PHE N N 78 121.935 128.239 -6.304 1 1 694 . 11 1 1 A 79 79 LEU H H 79 8.937 8.091 0.846 1 1 695 . 11 1 1 A 79 79 LEU HA H 79 4.691 5.121 -0.430 1 1 701 . 11 1 1 A 79 79 LEU C C 79 174.059 175.638 -1.579 1 1 702 . 11 1 1 A 79 79 LEU CA C 79 53.575 53.200 0.375 1 1 703 . 11 1 1 A 79 79 LEU CB C 79 41.184 44.402 -3.218 1 1 706 . 11 1 1 A 79 79 LEU N N 79 119.060 127.894 -8.834 1 1 707 . 11 1 1 A 80 80 VAL H H 80 8.828 8.384 0.444 1 1 708 . 11 1 1 A 80 80 VAL HA H 80 4.138 4.954 -0.816 1 1 716 . 11 1 1 A 80 80 VAL C C 80 174.535 174.626 -0.091 1 1 717 . 11 1 1 A 80 80 VAL CA C 80 61.395 60.866 0.529 1 1 718 . 11 1 1 A 80 80 VAL CB C 80 30.602 34.482 -3.880 1 1 721 . 11 1 1 A 80 80 VAL N N 80 124.677 122.405 2.272 1 1 722 . 11 1 1 A 81 81 CYS H H 81 8.795 8.654 0.141 1 1 723 . 11 1 1 A 81 81 CYS HA H 81 5.758 5.186 0.572 1 1 726 . 11 1 1 A 81 81 CYS C C 81 173.980 173.676 0.304 1 1 727 . 11 1 1 A 81 81 CYS CA C 81 57.821 56.971 0.850 1 1 728 . 11 1 1 A 81 81 CYS CB C 81 30.043 30.187 -0.144 1 1 729 . 11 1 1 A 81 81 CYS N N 81 123.745 126.960 -3.215 1 1 730 . 11 1 1 A 82 82 PHE H H 82 8.873 8.474 0.399 1 1 731 . 11 1 1 A 82 82 PHE HA H 82 4.532 5.344 -0.812 1 1 735 . 11 1 1 A 82 82 PHE C C 82 171.090 171.928 -0.838 1 1 736 . 11 1 1 A 82 82 PHE CA C 82 56.367 55.604 0.763 1 1 737 . 11 1 1 A 82 82 PHE CB C 82 40.091 41.854 -1.763 1 1 738 . 11 1 1 A 82 82 PHE N N 82 117.718 122.045 -4.327 1 1 739 . 11 1 1 A 83 83 SER H H 83 8.038 8.798 -0.760 1 1 740 . 11 1 1 A 83 83 SER HA H 83 5.204 4.621 0.583 1 1 743 . 11 1 1 A 83 83 SER C C 83 178.547 175.280 3.267 1 1 744 . 11 1 1 A 83 83 SER CA C 83 55.000 56.908 -1.908 1 1 745 . 11 1 1 A 83 83 SER CB C 83 63.051 64.290 -1.239 1 1 746 . 11 1 1 A 83 83 SER N N 83 113.246 116.231 -2.985 1 1 747 . 11 1 1 A 84 84 VAL H H 84 8.609 8.688 -0.079 1 1 748 . 11 1 1 A 84 84 VAL HA H 84 4.261 4.457 -0.196 1 1 756 . 11 1 1 A 84 84 VAL C C 84 175.783 177.314 -1.531 1 1 757 . 11 1 1 A 84 84 VAL CA C 84 63.745 63.838 -0.093 1 1 758 . 11 1 1 A 84 84 VAL CB C 84 29.811 32.422 -2.611 1 1 760 . 11 1 1 A 84 84 VAL N N 84 120.609 126.838 -6.229 1 1 761 . 11 1 1 A 85 85 VAL H H 85 7.653 7.157 0.496 1 1 762 . 11 1 1 A 85 85 VAL HA H 85 4.508 4.211 0.297 1 1 767 . 11 1 1 A 85 85 VAL C C 85 173.401 175.896 -2.495 1 1 768 . 11 1 1 A 85 85 VAL CA C 85 59.998 64.040 -4.042 1 1 769 . 11 1 1 A 85 85 VAL CB C 85 29.718 32.054 -2.336 1 1 772 . 11 1 1 A 85 85 VAL N N 85 107.920 118.774 -10.854 1 1 773 . 11 1 1 A 86 86 SER H H 86 7.792 7.908 -0.116 1 1 774 . 11 1 1 A 86 86 SER HA H 86 5.200 4.738 0.462 1 1 777 . 11 1 1 A 86 86 SER CA C 86 53.848 56.036 -2.188 1 1 778 . 11 1 1 A 86 86 SER CB C 86 62.720 64.216 -1.496 1 1 779 . 11 1 1 A 86 86 SER N N 86 112.608 117.406 -4.798 1 1 780 . 11 1 1 A 87 87 PRO C C 87 178.275 178.995 -0.720 1 1 781 . 11 1 1 A 87 87 PRO CA C 87 65.655 65.246 0.409 1 1 782 . 11 1 1 A 87 87 PRO CB C 87 31.961 32.026 -0.065 1 1 783 . 11 1 1 A 88 88 SER H H 88 8.928 8.378 0.550 1 1 784 . 11 1 1 A 88 88 SER HA H 88 4.783 4.237 0.546 1 1 787 . 11 1 1 A 88 88 SER C C 88 176.192 176.794 -0.602 1 1 788 . 11 1 1 A 88 88 SER CA C 88 61.630 61.541 0.089 1 1 789 . 11 1 1 A 88 88 SER CB C 88 71.811 62.904 8.907 1 1 790 . 11 1 1 A 88 88 SER N N 88 113.475 113.673 -0.198 1 1 791 . 11 1 1 A 89 89 SER H H 89 8.022 8.644 -0.622 1 1 792 . 11 1 1 A 89 89 SER HA H 89 5.047 4.444 0.603 1 1 795 . 11 1 1 A 89 89 SER C C 89 176.417 176.864 -0.447 1 1 796 . 11 1 1 A 89 89 SER CA C 89 61.352 60.750 0.602 1 1 797 . 11 1 1 A 89 89 SER CB C 89 63.930 63.072 0.858 1 1 798 . 11 1 1 A 89 89 SER N N 89 120.789 116.488 4.301 1 1 799 . 11 1 1 A 90 90 PHE H H 90 7.454 8.178 -0.724 1 1 800 . 11 1 1 A 90 90 PHE HA H 90 3.967 4.089 -0.122 1 1 804 . 11 1 1 A 90 90 PHE C C 90 177.387 177.903 -0.516 1 1 805 . 11 1 1 A 90 90 PHE CA C 90 59.945 61.000 -1.055 1 1 806 . 11 1 1 A 90 90 PHE CB C 90 39.365 39.185 0.180 1 1 807 . 11 1 1 A 90 90 PHE N N 90 124.950 124.106 0.844 1 1 808 . 11 1 1 A 91 91 GLU H H 91 8.245 8.578 -0.333 1 1 809 . 11 1 1 A 91 91 GLU HA H 91 3.921 4.055 -0.134 1 1 811 . 11 1 1 A 91 91 GLU C C 91 179.695 179.543 0.152 1 1 812 . 11 1 1 A 91 91 GLU CA C 91 59.102 59.639 -0.537 1 1 813 . 11 1 1 A 91 91 GLU CB C 91 28.437 29.558 -1.121 1 1 815 . 11 1 1 A 91 91 GLU N N 91 119.953 118.029 1.924 1 1 816 . 11 1 1 A 92 92 ASN H H 92 8.106 8.376 -0.270 1 1 817 . 11 1 1 A 92 92 ASN HA H 92 4.760 4.440 0.320 1 1 821 . 11 1 1 A 92 92 ASN C C 92 178.593 178.128 0.465 1 1 822 . 11 1 1 A 92 92 ASN CA C 92 54.635 56.532 -1.897 1 1 823 . 11 1 1 A 92 92 ASN CB C 92 37.879 40.071 -2.192 1 1 824 . 11 1 1 A 92 92 ASN N N 92 114.315 118.395 -4.080 1 1 826 . 11 1 1 A 93 93 VAL H H 93 7.883 7.646 0.237 1 1 827 . 11 1 1 A 93 93 VAL HA H 93 3.738 3.622 0.116 1 1 835 . 11 1 1 A 93 93 VAL C C 93 174.932 177.892 -2.960 1 1 836 . 11 1 1 A 93 93 VAL CA C 93 68.395 66.985 1.410 1 1 837 . 11 1 1 A 93 93 VAL CB C 93 30.596 31.214 -0.618 1 1 839 . 11 1 1 A 93 93 VAL N N 93 124.067 119.704 4.363 1 1 840 . 11 1 1 A 94 94 LYS H H 94 6.590 7.718 -1.128 1 1 841 . 11 1 1 A 94 94 LYS HA H 94 3.902 4.136 -0.234 1 1 846 . 11 1 1 A 94 94 LYS C C 94 176.885 179.317 -2.432 1 1 847 . 11 1 1 A 94 94 LYS CA C 94 58.135 58.863 -0.728 1 1 848 . 11 1 1 A 94 94 LYS CB C 94 33.163 32.529 0.634 1 1 851 . 11 1 1 A 94 94 LYS N N 94 115.269 119.692 -4.423 1 1 852 . 11 1 1 A 95 95 GLU H H 95 7.719 8.686 -0.967 1 1 853 . 11 1 1 A 95 95 GLU HA H 95 4.089 4.096 -0.007 1 1 857 . 11 1 1 A 95 95 GLU C C 95 176.252 177.689 -1.437 1 1 858 . 11 1 1 A 95 95 GLU CA C 95 57.564 58.730 -1.166 1 1 859 . 11 1 1 A 95 95 GLU CB C 95 30.353 29.811 0.542 1 1 861 . 11 1 1 A 95 95 GLU N N 95 112.466 119.696 -7.230 1 1 862 . 11 1 1 A 96 96 LYS H H 96 8.063 7.687 0.376 1 1 863 . 11 1 1 A 96 96 LYS HA H 96 4.250 4.329 -0.079 1 1 867 . 11 1 1 A 96 96 LYS C C 96 177.781 178.525 -0.744 1 1 868 . 11 1 1 A 96 96 LYS CA C 96 57.343 57.698 -0.355 1 1 869 . 11 1 1 A 96 96 LYS CB C 96 35.190 34.011 1.179 1 1 873 . 11 1 1 A 96 96 LYS N N 96 115.613 118.578 -2.965 1 1 874 . 11 1 1 A 97 97 TRP H H 97 7.786 7.943 -0.157 1 1 875 . 11 1 1 A 97 97 TRP HA H 97 4.390 4.457 -0.067 1 1 879 . 11 1 1 A 97 97 TRP C C 97 178.500 179.072 -0.572 1 1 880 . 11 1 1 A 97 97 TRP CA C 97 60.831 60.044 0.787 1 1 881 . 11 1 1 A 97 97 TRP CB C 97 30.818 29.322 1.496 1 1 882 . 11 1 1 A 97 97 TRP N N 97 119.643 120.628 -0.985 1 1 884 . 11 1 1 A 98 98 VAL H H 98 8.604 7.883 0.721 1 1 885 . 11 1 1 A 98 98 VAL HA H 98 3.542 3.673 -0.131 1 1 890 . 11 1 1 A 98 98 VAL CA C 98 68.434 67.485 0.949 1 1 891 . 11 1 1 A 98 98 VAL CB C 98 28.357 29.842 -1.485 1 1 892 . 11 1 1 A 98 98 VAL N N 98 116.894 120.480 -3.586 1 1 893 . 11 1 1 A 99 99 PRO HA H 99 3.932 4.162 -0.230 1 1 895 . 11 1 1 A 99 99 PRO C C 99 177.438 178.718 -1.280 1 1 896 . 11 1 1 A 99 99 PRO CA C 99 66.615 66.287 0.328 1 1 897 . 11 1 1 A 99 99 PRO CB C 99 30.600 30.518 0.082 1 1 899 . 11 1 1 A 100 100 GLU H H 100 7.538 7.938 -0.400 1 1 900 . 11 1 1 A 100 100 GLU HA H 100 4.219 4.139 0.080 1 1 902 . 11 1 1 A 100 100 GLU C C 100 178.891 178.686 0.205 1 1 903 . 11 1 1 A 100 100 GLU CA C 100 60.795 59.593 1.202 1 1 904 . 11 1 1 A 100 100 GLU CB C 100 29.919 29.351 0.568 1 1 906 . 11 1 1 A 100 100 GLU N N 100 116.622 117.860 -1.238 1 1 907 . 11 1 1 A 101 101 ILE H H 101 8.331 7.329 1.002 1 1 908 . 11 1 1 A 101 101 ILE HA H 101 3.598 4.131 -0.533 1 1 909 . 11 1 1 A 101 101 ILE C C 101 177.812 177.575 0.237 1 1 910 . 11 1 1 A 101 101 ILE CA C 101 66.106 62.751 3.355 1 1 911 . 11 1 1 A 101 101 ILE CB C 101 35.806 37.803 -1.997 1 1 913 . 11 1 1 A 101 101 ILE N N 101 113.806 120.044 -6.238 1 1 914 . 11 1 1 A 102 102 THR H H 102 7.881 7.831 0.050 1 1 915 . 11 1 1 A 102 102 THR HA H 102 3.849 3.808 0.041 1 1 917 . 11 1 1 A 102 102 THR C C 102 175.953 176.740 -0.787 1 1 918 . 11 1 1 A 102 102 THR CA C 102 64.979 66.572 -1.593 1 1 919 . 11 1 1 A 102 102 THR CB C 102 69.609 68.223 1.386 1 1 920 . 11 1 1 A 102 102 THR N N 102 112.542 117.115 -4.573 1 1 921 . 11 1 1 A 103 103 HIS H H 103 7.598 7.469 0.129 1 1 922 . 11 1 1 A 103 103 HIS HA H 103 4.217 4.242 -0.025 1 1 924 . 11 1 1 A 103 103 HIS C C 103 176.414 176.748 -0.334 1 1 925 . 11 1 1 A 103 103 HIS CA C 103 58.531 59.132 -0.601 1 1 926 . 11 1 1 A 103 103 HIS CB C 103 28.397 29.314 -0.917 1 1 927 . 11 1 1 A 103 103 HIS N N 103 118.843 119.022 -0.179 1 1 928 . 11 1 1 A 104 104 HIS H H 104 7.405 7.314 0.091 1 1 929 . 11 1 1 A 104 104 HIS HA H 104 4.164 4.536 -0.372 1 1 932 . 11 1 1 A 104 104 HIS C C 104 176.660 173.927 2.733 1 1 933 . 11 1 1 A 104 104 HIS CA C 104 59.641 55.775 3.866 1 1 934 . 11 1 1 A 104 104 HIS CB C 104 33.363 29.958 3.405 1 1 935 . 11 1 1 A 104 104 HIS N N 104 113.791 115.722 -1.931 1 1 936 . 11 1 1 A 105 105 CYS H H 105 8.530 8.477 0.053 1 1 937 . 11 1 1 A 105 105 CYS HA H 105 5.015 4.018 0.997 1 1 940 . 11 1 1 A 105 105 CYS CA C 105 56.219 59.649 -3.430 1 1 941 . 11 1 1 A 105 105 CYS N N 105 117.178 115.666 1.512 1 1 942 . 11 1 1 A 106 106 PRO HA H 106 4.477 4.701 -0.224 1 1 945 . 11 1 1 A 106 106 PRO C C 106 177.961 176.548 1.413 1 1 946 . 11 1 1 A 106 106 PRO CA C 106 64.735 63.620 1.115 1 1 947 . 11 1 1 A 106 106 PRO CB C 106 31.961 32.239 -0.278 1 1 949 . 11 1 1 A 107 107 LYS H H 107 8.769 8.999 -0.230 1 1 950 . 11 1 1 A 107 107 LYS HA H 107 4.771 4.658 0.113 1 1 955 . 11 1 1 A 107 107 LYS CA C 107 55.895 56.870 -0.975 1 1 956 . 11 1 1 A 107 107 LYS CB C 107 31.160 35.352 -4.192 1 1 957 . 11 1 1 A 107 107 LYS N N 107 116.131 119.835 -3.704 1 1 958 . 11 1 1 A 108 108 THR H H 108 7.586 7.439 0.147 1 1 959 . 11 1 1 A 108 108 THR N N 108 121.415 111.086 10.329 1 1 960 . 11 1 1 A 109 109 PRO HA H 109 4.529 4.451 0.078 1 1 963 . 11 1 1 A 109 109 PRO C C 109 174.846 175.549 -0.703 1 1 964 . 11 1 1 A 109 109 PRO CA C 109 62.495 63.290 -0.795 1 1 965 . 11 1 1 A 109 109 PRO CB C 109 33.563 32.247 1.316 1 1 968 . 11 1 1 A 110 110 PHE H H 110 8.165 8.819 -0.654 1 1 969 . 11 1 1 A 110 110 PHE HA H 110 5.929 5.219 0.710 1 1 971 . 11 1 1 A 110 110 PHE C C 110 172.666 174.269 -1.603 1 1 972 . 11 1 1 A 110 110 PHE CA C 110 54.448 56.149 -1.701 1 1 973 . 11 1 1 A 110 110 PHE CB C 110 43.554 41.821 1.733 1 1 974 . 11 1 1 A 110 110 PHE N N 110 112.128 122.309 -10.181 1 1 975 . 11 1 1 A 111 111 LEU H H 111 8.633 8.747 -0.114 1 1 976 . 11 1 1 A 111 111 LEU HA H 111 4.694 5.253 -0.559 1 1 979 . 11 1 1 A 111 111 LEU C C 111 175.472 174.694 0.778 1 1 980 . 11 1 1 A 111 111 LEU CA C 111 54.212 53.566 0.646 1 1 981 . 11 1 1 A 111 111 LEU CB C 111 43.831 45.590 -1.759 1 1 984 . 11 1 1 A 111 111 LEU N N 111 119.654 124.370 -4.716 1 1 985 . 11 1 1 A 112 112 LEU H H 112 8.061 8.970 -0.909 1 1 986 . 11 1 1 A 112 112 LEU HA H 112 5.363 5.301 0.062 1 1 992 . 11 1 1 A 112 112 LEU C C 112 173.631 176.204 -2.573 1 1 993 . 11 1 1 A 112 112 LEU CA C 112 53.826 53.284 0.542 1 1 994 . 11 1 1 A 112 112 LEU CB C 112 44.182 42.742 1.440 1 1 996 . 11 1 1 A 112 112 LEU N N 112 121.946 128.508 -6.562 1 1 997 . 11 1 1 A 113 113 VAL H H 113 9.178 8.881 0.297 1 1 998 . 11 1 1 A 113 113 VAL HA H 113 4.878 4.849 0.029 1 1 1006 . 11 1 1 A 113 113 VAL C C 113 174.300 175.219 -0.919 1 1 1007 . 11 1 1 A 113 113 VAL CA C 113 59.695 60.604 -0.909 1 1 1008 . 11 1 1 A 113 113 VAL CB C 113 33.323 34.769 -1.446 1 1 1011 . 11 1 1 A 113 113 VAL N N 113 125.807 126.038 -0.231 1 1 1012 . 11 1 1 A 114 114 GLY H H 114 8.731 8.834 -0.103 1 1 1013 . 11 1 1 A 114 114 GLY HA2 H 114 3.688 3.661 0.027 1 1 1014 . 11 1 1 A 114 114 GLY HA3 H 114 3.270 4.088 -0.818 1 1 1015 . 11 1 1 A 114 114 GLY C C 114 173.360 171.658 1.702 1 1 1016 . 11 1 1 A 114 114 GLY CA C 114 44.195 44.345 -0.150 1 1 1017 . 11 1 1 A 114 114 GLY N N 114 115.079 115.318 -0.239 1 1 1018 . 11 1 1 A 115 115 THR H H 115 9.181 7.999 1.182 1 1 1019 . 11 1 1 A 115 115 THR HA H 115 4.969 5.149 -0.180 1 1 1024 . 11 1 1 A 115 115 THR C C 115 175.355 173.579 1.776 1 1 1025 . 11 1 1 A 115 115 THR CA C 115 59.375 59.505 -0.130 1 1 1026 . 11 1 1 A 115 115 THR CB C 115 70.530 71.546 -1.016 1 1 1028 . 11 1 1 A 115 115 THR N N 115 115.613 117.714 -2.101 1 1 1029 . 11 1 1 A 116 116 GLN H H 116 9.380 8.763 0.617 1 1 1030 . 11 1 1 A 116 116 GLN HA H 116 3.983 3.862 0.121 1 1 1033 . 11 1 1 A 116 116 GLN C C 116 179.110 176.560 2.550 1 1 1034 . 11 1 1 A 116 116 GLN CA C 116 56.195 56.541 -0.346 1 1 1035 . 11 1 1 A 116 116 GLN CB C 116 23.911 26.142 -2.231 1 1 1037 . 11 1 1 A 116 116 GLN N N 116 108.468 123.139 -14.671 1 1 1038 . 11 1 1 A 117 117 ILE H H 117 7.635 7.839 -0.204 1 1 1039 . 11 1 1 A 117 117 ILE HA H 117 3.814 3.946 -0.132 1 1 1042 . 11 1 1 A 117 117 ILE C C 117 178.002 176.481 1.521 1 1 1043 . 11 1 1 A 117 117 ILE CA C 117 64.828 63.014 1.814 1 1 1044 . 11 1 1 A 117 117 ILE CB C 117 36.327 37.594 -1.267 1 1 1047 . 11 1 1 A 118 118 ASP H H 118 8.732 8.113 0.619 1 1 1048 . 11 1 1 A 118 118 ASP HA H 118 4.468 4.522 -0.054 1 1 1051 . 11 1 1 A 118 118 ASP C C 118 176.888 178.577 -1.689 1 1 1052 . 11 1 1 A 118 118 ASP CA C 118 55.527 56.401 -0.874 1 1 1053 . 11 1 1 A 118 118 ASP CB C 118 40.482 40.471 0.011 1 1 1054 . 11 1 1 A 118 118 ASP N N 118 119.049 121.334 -2.285 1 1 1055 . 11 1 1 A 119 119 LEU H H 119 7.914 7.871 0.043 1 1 1056 . 11 1 1 A 119 119 LEU HA H 119 4.332 4.074 0.258 1 1 1066 . 11 1 1 A 119 119 LEU C C 119 178.015 178.417 -0.402 1 1 1067 . 11 1 1 A 119 119 LEU CA C 119 55.388 57.570 -2.182 1 1 1068 . 11 1 1 A 119 119 LEU CB C 119 41.573 41.976 -0.403 1 1 1071 . 11 1 1 A 119 119 LEU N N 119 117.783 121.745 -3.962 1 1 1072 . 11 1 1 A 120 120 ARG H H 120 7.256 8.172 -0.916 1 1 1073 . 11 1 1 A 120 120 ARG HA H 120 3.561 4.016 -0.455 1 1 1076 . 11 1 1 A 120 120 ARG C C 120 174.671 177.680 -3.009 1 1 1077 . 11 1 1 A 120 120 ARG CA C 120 60.041 59.124 0.917 1 1 1078 . 11 1 1 A 120 120 ARG CB C 120 30.079 29.766 0.313 1 1 1081 . 11 1 1 A 120 120 ARG N N 120 116.747 119.453 -2.706 1 1 1082 . 11 1 1 A 121 121 ASP H H 121 7.078 7.886 -0.808 1 1 1083 . 11 1 1 A 121 121 ASP HA H 121 4.802 4.645 0.157 1 1 1086 . 11 1 1 A 121 121 ASP C C 121 175.364 175.956 -0.592 1 1 1087 . 11 1 1 A 121 121 ASP CA C 121 52.775 54.035 -1.260 1 1 1088 . 11 1 1 A 121 121 ASP CB C 121 41.372 41.054 0.318 1 1 1089 . 11 1 1 A 121 121 ASP N N 121 111.544 118.293 -6.749 1 1 1090 . 11 1 1 A 122 122 ASP H H 122 7.246 7.892 -0.646 1 1 1091 . 11 1 1 A 122 122 ASP HA H 122 4.983 4.999 -0.016 1 1 1094 . 11 1 1 A 122 122 ASP CA C 122 51.575 50.903 0.672 1 1 1095 . 11 1 1 A 122 122 ASP CB C 122 43.576 41.530 2.046 1 1 1096 . 11 1 1 A 122 122 ASP N N 122 122.169 120.731 1.438 1 1 1097 . 11 1 1 A 123 123 PRO HA H 123 4.132 4.369 -0.237 1 1 1100 . 11 1 1 A 123 123 PRO C C 123 178.982 177.858 1.124 1 1 1101 . 11 1 1 A 123 123 PRO CA C 123 65.824 64.778 1.046 1 1 1102 . 11 1 1 A 123 123 PRO CB C 123 32.041 31.968 0.073 1 1 1104 . 11 1 1 A 124 124 SER H H 124 8.333 8.306 0.027 1 1 1105 . 11 1 1 A 124 124 SER HA H 124 4.762 4.193 0.569 1 1 1108 . 11 1 1 A 124 124 SER C C 124 176.716 177.224 -0.508 1 1 1109 . 11 1 1 A 124 124 SER CA C 124 62.073 61.159 0.914 1 1 1110 . 11 1 1 A 124 124 SER CB C 124 62.373 62.471 -0.098 1 1 1111 . 11 1 1 A 124 124 SER N N 124 112.482 112.374 0.108 1 1 1112 . 11 1 1 A 125 125 THR H H 125 7.921 7.999 -0.078 1 1 1113 . 11 1 1 A 125 125 THR HA H 125 4.658 4.008 0.650 1 1 1118 . 11 1 1 A 125 125 THR C C 125 175.789 176.504 -0.715 1 1 1119 . 11 1 1 A 125 125 THR CA C 125 67.686 66.486 1.200 1 1 1121 . 11 1 1 A 125 125 THR N N 125 121.820 116.152 5.668 1 1 1122 . 11 1 1 A 126 126 ILE H H 126 8.234 8.005 0.229 1 1 1123 . 11 1 1 A 126 126 ILE HA H 126 3.550 3.806 -0.256 1 1 1126 . 11 1 1 A 126 126 ILE C C 126 179.057 177.718 1.339 1 1 1127 . 11 1 1 A 126 126 ILE CA C 126 65.032 64.157 0.875 1 1 1128 . 11 1 1 A 126 126 ILE CB C 126 37.064 37.631 -0.567 1 1 1132 . 11 1 1 A 126 126 ILE N N 126 121.486 117.171 4.315 1 1 1133 . 11 1 1 A 127 127 GLU H H 127 8.240 8.094 0.146 1 1 1134 . 11 1 1 A 127 127 GLU HA H 127 4.165 3.937 0.228 1 1 1136 . 11 1 1 A 127 127 GLU C C 127 177.025 178.982 -1.957 1 1 1137 . 11 1 1 A 127 127 GLU CA C 127 59.326 59.845 -0.519 1 1 1138 . 11 1 1 A 127 127 GLU CB C 127 29.330 29.017 0.313 1 1 1140 . 11 1 1 A 127 127 GLU N N 127 120.249 121.074 -0.825 1 1 1141 . 11 1 1 A 128 128 LYS H H 128 7.919 7.583 0.336 1 1 1142 . 11 1 1 A 128 128 LYS HA H 128 3.978 4.072 -0.094 1 1 1146 . 11 1 1 A 128 128 LYS C C 128 179.838 178.814 1.024 1 1 1147 . 11 1 1 A 128 128 LYS CA C 128 59.938 58.633 1.305 1 1 1148 . 11 1 1 A 128 128 LYS CB C 128 31.691 32.208 -0.517 1 1 1152 . 11 1 1 A 128 128 LYS N N 128 120.679 120.104 0.575 1 1 1153 . 11 1 1 A 129 129 LEU H H 129 8.142 7.688 0.454 1 1 1154 . 11 1 1 A 129 129 LEU HA H 129 4.128 4.162 -0.034 1 1 1160 . 11 1 1 A 129 129 LEU C C 129 179.701 178.973 0.728 1 1 1161 . 11 1 1 A 129 129 LEU CA C 129 57.904 57.566 0.338 1 1 1162 . 11 1 1 A 129 129 LEU CB C 129 41.674 40.761 0.913 1 1 1165 . 11 1 1 A 129 129 LEU N N 129 118.553 119.998 -1.445 1 1 1166 . 11 1 1 A 130 130 ALA H H 130 8.493 8.507 -0.014 1 1 1167 . 11 1 1 A 130 130 ALA HA H 130 4.286 3.922 0.364 1 1 1171 . 11 1 1 A 130 130 ALA C C 130 182.027 179.512 2.515 1 1 1172 . 11 1 1 A 130 130 ALA CA C 130 55.358 55.487 -0.129 1 1 1173 . 11 1 1 A 130 130 ALA CB C 130 17.069 18.360 -1.291 1 1 1174 . 11 1 1 A 130 130 ALA N N 130 122.578 121.421 1.157 1 1 1175 . 11 1 1 A 131 131 LYS H H 131 8.065 7.536 0.529 1 1 1176 . 11 1 1 A 131 131 LYS HA H 131 4.124 3.973 0.151 1 1 1180 . 11 1 1 A 131 131 LYS C C 131 177.085 178.283 -1.198 1 1 1181 . 11 1 1 A 131 131 LYS CA C 131 59.093 59.480 -0.387 1 1 1182 . 11 1 1 A 131 131 LYS CB C 131 31.782 32.103 -0.321 1 1 1186 . 11 1 1 A 131 131 LYS N N 131 120.347 118.510 1.837 1 1 1187 . 11 1 1 A 132 132 ASN H H 132 7.414 7.951 -0.537 1 1 1188 . 11 1 1 A 132 132 ASN HA H 132 4.983 4.824 0.159 1 1 1193 . 11 1 1 A 132 132 ASN C C 132 173.584 174.193 -0.609 1 1 1194 . 11 1 1 A 132 132 ASN CA C 132 52.195 52.887 -0.692 1 1 1195 . 11 1 1 A 132 132 ASN CB C 132 39.210 38.605 0.605 1 1 1196 . 11 1 1 A 132 132 ASN N N 132 115.667 114.478 1.189 1 1 1198 . 11 1 1 A 133 133 LYS H H 133 8.105 8.077 0.028 1 1 1199 . 11 1 1 A 133 133 LYS HA H 133 3.956 3.797 0.159 1 1 1204 . 11 1 1 A 133 133 LYS C C 133 175.311 174.646 0.665 1 1 1205 . 11 1 1 A 133 133 LYS CA C 133 57.317 57.327 -0.010 1 1 1206 . 11 1 1 A 133 133 LYS CB C 133 28.397 29.127 -0.730 1 1 1210 . 11 1 1 A 133 133 LYS N N 133 113.900 115.843 -1.943 1 1 1211 . 11 1 1 A 134 134 GLN H H 134 8.107 7.457 0.650 1 1 1212 . 11 1 1 A 134 134 GLN HA H 134 4.777 4.926 -0.149 1 1 1218 . 11 1 1 A 134 134 GLN C C 134 174.870 174.547 0.323 1 1 1219 . 11 1 1 A 134 134 GLN CA C 134 53.890 54.447 -0.557 1 1 1220 . 11 1 1 A 134 134 GLN CB C 134 33.095 31.596 1.499 1 1 1222 . 11 1 1 A 134 134 GLN N N 134 116.006 118.229 -2.223 1 1 1224 . 11 1 1 A 135 135 LYS H H 135 7.974 8.661 -0.687 1 1 1225 . 11 1 1 A 135 135 LYS CA C 135 54.077 53.802 0.275 1 1 1226 . 11 1 1 A 135 135 LYS CB C 135 33.433 31.820 1.613 1 1 1227 . 11 1 1 A 135 135 LYS N N 135 118.646 126.591 -7.945 1 1 1228 . 11 1 1 A 136 136 PRO HA H 136 4.378 4.542 -0.164 1 1 1232 . 11 1 1 A 136 136 PRO C C 136 174.976 175.337 -0.361 1 1 1233 . 11 1 1 A 136 136 PRO CA C 136 62.255 62.512 -0.257 1 1 1234 . 11 1 1 A 136 136 PRO CB C 136 32.147 32.013 0.134 1 1 1237 . 11 1 1 A 137 137 ILE H H 137 9.147 8.422 0.725 1 1 1238 . 11 1 1 A 137 137 ILE HA H 137 3.918 4.289 -0.371 1 1 1245 . 11 1 1 A 137 137 ILE C C 137 176.126 176.370 -0.244 1 1 1246 . 11 1 1 A 137 137 ILE CA C 137 59.969 60.270 -0.301 1 1 1247 . 11 1 1 A 137 137 ILE CB C 137 36.848 38.359 -1.511 1 1 1248 . 11 1 1 A 137 137 ILE N N 137 122.234 121.925 0.309 1 1 1249 . 11 1 1 A 138 138 THR H H 138 7.993 8.985 -0.992 1 1 1250 . 11 1 1 A 138 138 THR HA H 138 4.765 4.819 -0.054 1 1 1255 . 11 1 1 A 138 138 THR CA C 138 59.171 60.151 -0.980 1 1 1256 . 11 1 1 A 138 138 THR CB C 138 68.488 68.815 -0.327 1 1 1257 . 11 1 1 A 138 138 THR N N 138 118.389 120.823 -2.434 1 1 1258 . 11 1 1 A 139 139 PRO HA H 139 4.071 4.352 -0.281 1 1 1261 . 11 1 1 A 139 139 PRO C C 139 177.838 178.155 -0.317 1 1 1262 . 11 1 1 A 139 139 PRO CA C 139 65.575 65.686 -0.111 1 1 1263 . 11 1 1 A 139 139 PRO CB C 139 31.401 31.889 -0.488 1 1 1265 . 11 1 1 A 140 140 GLU H H 140 8.569 8.260 0.309 1 1 1266 . 11 1 1 A 140 140 GLU HA H 140 3.000 4.083 -1.083 1 1 1270 . 11 1 1 A 140 140 GLU C C 140 179.357 179.117 0.240 1 1 1271 . 11 1 1 A 140 140 GLU CA C 140 60.137 59.609 0.528 1 1 1272 . 11 1 1 A 140 140 GLU CB C 140 28.357 29.273 -0.916 1 1 1273 . 11 1 1 A 140 140 GLU N N 140 114.648 118.042 -3.394 1 1 1274 . 11 1 1 A 141 141 THR H H 141 7.579 7.817 -0.238 1 1 1275 . 11 1 1 A 141 141 THR HA H 141 3.811 3.893 -0.082 1 1 1280 . 11 1 1 A 141 141 THR C C 141 176.395 176.495 -0.100 1 1 1281 . 11 1 1 A 141 141 THR CA C 141 66.113 66.545 -0.432 1 1 1282 . 11 1 1 A 141 141 THR CB C 141 68.569 68.357 0.212 1 1 1284 . 11 1 1 A 141 141 THR N N 141 118.215 116.839 1.376 1 1 1285 . 11 1 1 A 142 142 ALA H H 142 7.562 7.851 -0.289 1 1 1286 . 11 1 1 A 142 142 ALA HA H 142 3.866 4.298 -0.432 1 1 1290 . 11 1 1 A 142 142 ALA C C 142 178.302 179.814 -1.512 1 1 1291 . 11 1 1 A 142 142 ALA CA C 142 55.332 55.324 0.008 1 1 1292 . 11 1 1 A 142 142 ALA CB C 142 16.606 18.409 -1.803 1 1 1293 . 11 1 1 A 142 142 ALA N N 142 125.491 124.013 1.478 1 1 1294 . 11 1 1 A 143 143 GLU H H 143 8.787 8.364 0.423 1 1 1295 . 11 1 1 A 143 143 GLU HA H 143 3.742 3.695 0.047 1 1 1298 . 11 1 1 A 143 143 GLU C C 143 179.077 178.458 0.619 1 1 1299 . 11 1 1 A 143 143 GLU CA C 143 59.590 58.966 0.624 1 1 1300 . 11 1 1 A 143 143 GLU CB C 143 28.998 28.929 0.069 1 1 1302 . 11 1 1 A 143 143 GLU N N 143 117.991 118.951 -0.960 1 1 1303 . 11 1 1 A 144 144 LYS H H 144 7.313 7.473 -0.160 1 1 1304 . 11 1 1 A 144 144 LYS HA H 144 3.950 4.118 -0.168 1 1 1307 . 11 1 1 A 144 144 LYS C C 144 177.781 179.026 -1.245 1 1 1308 . 11 1 1 A 144 144 LYS CA C 144 59.370 58.983 0.387 1 1 1309 . 11 1 1 A 144 144 LYS CB C 144 31.718 32.328 -0.610 1 1 1313 . 11 1 1 A 144 144 LYS N N 144 118.815 119.685 -0.870 1 1 1314 . 11 1 1 A 145 145 LEU H H 145 7.326 8.058 -0.732 1 1 1315 . 11 1 1 A 145 145 LEU HA H 145 4.153 4.325 -0.172 1 1 1324 . 11 1 1 A 145 145 LEU C C 145 178.162 179.074 -0.912 1 1 1325 . 11 1 1 A 145 145 LEU CA C 145 57.834 57.659 0.175 1 1 1326 . 11 1 1 A 145 145 LEU CB C 145 40.432 40.673 -0.241 1 1 1329 . 11 1 1 A 145 145 LEU N N 145 119.589 119.710 -0.121 1 1 1330 . 11 1 1 A 146 146 ALA H H 146 8.482 7.527 0.955 1 1 1331 . 11 1 1 A 146 146 ALA HA H 146 3.705 4.005 -0.300 1 1 1335 . 11 1 1 A 146 146 ALA C C 146 178.574 179.275 -0.701 1 1 1336 . 11 1 1 A 146 146 ALA CA C 146 55.543 55.389 0.154 1 1 1337 . 11 1 1 A 146 146 ALA CB C 146 17.663 18.250 -0.587 1 1 1338 . 11 1 1 A 146 146 ALA N N 146 118.809 122.130 -3.321 1 1 1339 . 11 1 1 A 147 147 ARG H H 147 7.714 7.666 0.048 1 1 1340 . 11 1 1 A 147 147 ARG HA H 147 4.175 4.257 -0.082 1 1 1344 . 11 1 1 A 147 147 ARG C C 147 180.165 176.833 3.332 1 1 1345 . 11 1 1 A 147 147 ARG CA C 147 58.995 56.978 2.017 1 1 1346 . 11 1 1 A 147 147 ARG CB C 147 29.657 29.819 -0.162 1 1 1349 . 11 1 1 A 147 147 ARG N N 147 116.011 117.150 -1.139 1 1 1350 . 11 1 1 A 148 148 ASP H H 148 8.461 7.946 0.515 1 1 1351 . 11 1 1 A 148 148 ASP HA H 148 4.324 4.522 -0.198 1 1 1354 . 11 1 1 A 148 148 ASP C C 148 178.284 176.161 2.123 1 1 1355 . 11 1 1 A 148 148 ASP CA C 148 57.501 56.278 1.223 1 1 1356 . 11 1 1 A 148 148 ASP CB C 148 40.172 41.270 -1.098 1 1 1357 . 11 1 1 A 148 148 ASP N N 148 121.913 118.694 3.219 1 1 1358 . 11 1 1 A 149 149 LEU H H 149 8.364 7.515 0.849 1 1 1359 . 11 1 1 A 149 149 LEU HA H 149 4.365 4.573 -0.208 1 1 1368 . 11 1 1 A 149 149 LEU C C 149 174.985 177.053 -2.068 1 1 1369 . 11 1 1 A 149 149 LEU CA C 149 54.315 55.420 -1.105 1 1 1370 . 11 1 1 A 149 149 LEU CB C 149 41.373 43.052 -1.679 1 1 1373 . 11 1 1 A 149 149 LEU N N 149 115.324 117.173 -1.849 1 1 1374 . 11 1 1 A 150 150 LYS H H 150 7.624 7.863 -0.239 1 1 1375 . 11 1 1 A 150 150 LYS HA H 150 3.783 4.528 -0.745 1 1 1379 . 11 1 1 A 150 150 LYS C C 150 177.003 175.548 1.455 1 1 1380 . 11 1 1 A 150 150 LYS CA C 150 57.457 55.077 2.380 1 1 1381 . 11 1 1 A 150 150 LYS CB C 150 27.730 33.124 -5.394 1 1 1385 . 11 1 1 A 150 150 LYS N N 150 111.768 118.315 -6.547 1 1 1386 . 11 1 1 A 151 151 ALA H H 151 8.248 7.297 0.951 1 1 1387 . 11 1 1 A 151 151 ALA HA H 151 2.979 4.244 -1.265 1 1 1391 . 11 1 1 A 151 151 ALA C C 151 177.944 177.485 0.459 1 1 1392 . 11 1 1 A 151 151 ALA CA C 151 51.231 52.535 -1.304 1 1 1393 . 11 1 1 A 151 151 ALA CB C 151 19.707 19.225 0.482 1 1 1394 . 11 1 1 A 151 151 ALA N N 151 119.649 123.077 -3.428 1 1 1395 . 11 1 1 A 152 152 VAL H H 152 8.684 8.991 -0.307 1 1 1396 . 11 1 1 A 152 152 VAL HA H 152 3.478 3.994 -0.516 1 1 1404 . 11 1 1 A 152 152 VAL C C 152 176.367 175.995 0.372 1 1 1405 . 11 1 1 A 152 152 VAL CA C 152 66.127 64.680 1.447 1 1 1406 . 11 1 1 A 152 152 VAL CB C 152 32.285 32.328 -0.043 1 1 1409 . 11 1 1 A 152 152 VAL N N 152 120.805 122.695 -1.890 1 1 1410 . 11 1 1 A 153 153 LYS H H 153 6.865 7.707 -0.842 1 1 1411 . 11 1 1 A 153 153 LYS HA H 153 4.344 4.940 -0.596 1 1 1416 . 11 1 1 A 153 153 LYS C C 153 172.951 174.526 -1.575 1 1 1417 . 11 1 1 A 153 153 LYS CA C 153 55.049 55.002 0.047 1 1 1418 . 11 1 1 A 153 153 LYS CB C 153 34.332 37.278 -2.946 1 1 1422 . 11 1 1 A 153 153 LYS N N 153 108.179 118.387 -10.208 1 1 1423 . 11 1 1 A 154 154 TYR H H 154 8.606 8.683 -0.077 1 1 1424 . 11 1 1 A 154 154 TYR HA H 154 5.761 5.843 -0.082 1 1 1426 . 11 1 1 A 154 154 TYR C C 154 174.216 173.115 1.101 1 1 1427 . 11 1 1 A 154 154 TYR CA C 154 55.910 55.536 0.374 1 1 1428 . 11 1 1 A 154 154 TYR CB C 154 40.457 42.235 -1.778 1 1 1429 . 11 1 1 A 154 154 TYR N N 154 120.249 118.315 1.934 1 1 1430 . 11 1 1 A 155 155 VAL H H 155 8.271 8.996 -0.725 1 1 1431 . 11 1 1 A 155 155 VAL HA H 155 4.138 4.762 -0.624 1 1 1439 . 11 1 1 A 155 155 VAL C C 155 171.653 173.783 -2.130 1 1 1440 . 11 1 1 A 155 155 VAL CA C 155 58.344 59.591 -1.247 1 1 1441 . 11 1 1 A 155 155 VAL CB C 155 34.645 35.997 -1.352 1 1 1444 . 11 1 1 A 155 155 VAL N N 155 121.448 117.444 4.004 1 1 1445 . 11 1 1 A 156 156 GLU H H 156 8.030 8.655 -0.625 1 1 1446 . 11 1 1 A 156 156 GLU HA H 156 5.393 5.064 0.329 1 1 1449 . 11 1 1 A 156 156 GLU C C 156 175.890 175.508 0.382 1 1 1450 . 11 1 1 A 156 156 GLU CA C 156 53.775 54.978 -1.203 1 1 1451 . 11 1 1 A 156 156 GLU CB C 156 31.521 32.222 -0.701 1 1 1453 . 11 1 1 A 156 156 GLU N N 156 113.147 121.306 -8.159 1 1 1454 . 11 1 1 A 157 157 CYS H H 157 8.838 9.703 -0.865 1 1 1455 . 11 1 1 A 157 157 CYS HA H 157 5.324 5.283 0.041 1 1 1458 . 11 1 1 A 157 157 CYS C C 157 171.554 172.596 -1.042 1 1 1459 . 11 1 1 A 157 157 CYS CA C 157 55.749 57.188 -1.439 1 1 1460 . 11 1 1 A 157 157 CYS CB C 157 32.041 31.168 0.873 1 1 1461 . 11 1 1 A 157 157 CYS N N 157 111.910 122.541 -10.631 1 1 1462 . 11 1 1 A 158 158 SER H H 158 8.277 8.806 -0.529 1 1 1463 . 11 1 1 A 158 158 SER HA H 158 5.211 4.799 0.412 1 1 1466 . 11 1 1 A 158 158 SER C C 158 176.246 175.129 1.117 1 1 1467 . 11 1 1 A 158 158 SER CA C 158 55.892 56.515 -0.623 1 1 1468 . 11 1 1 A 158 158 SER CB C 158 65.035 64.072 0.963 1 1 1469 . 11 1 1 A 158 158 SER N N 158 110.284 119.572 -9.288 1 1 1470 . 11 1 1 A 159 159 ALA H H 159 9.297 8.937 0.360 1 1 1471 . 11 1 1 A 159 159 ALA HA H 159 4.210 3.965 0.245 1 1 1475 . 11 1 1 A 159 159 ALA C C 159 177.030 179.473 -2.443 1 1 1476 . 11 1 1 A 159 159 ALA CA C 159 54.522 55.006 -0.484 1 1 1477 . 11 1 1 A 159 159 ALA CB C 159 18.828 18.264 0.564 1 1 1478 . 11 1 1 A 159 159 ALA N N 159 132.318 130.408 1.910 1 1 1479 . 11 1 1 A 160 160 LEU H H 160 7.361 7.920 -0.559 1 1 1480 . 11 1 1 A 160 160 LEU HA H 160 3.307 4.144 -0.837 1 1 1485 . 11 1 1 A 160 160 LEU C C 160 177.619 175.883 1.736 1 1 1486 . 11 1 1 A 160 160 LEU CA C 160 57.497 57.486 0.011 1 1 1487 . 11 1 1 A 160 160 LEU CB C 160 43.255 41.897 1.358 1 1 1490 . 11 1 1 A 160 160 LEU N N 160 118.308 119.888 -1.580 1 1 1491 . 11 1 1 A 161 161 THR H H 161 8.109 7.409 0.700 1 1 1492 . 11 1 1 A 161 161 THR HA H 161 4.218 4.147 0.071 1 1 1497 . 11 1 1 A 161 161 THR C C 161 176.064 174.170 1.894 1 1 1498 . 11 1 1 A 161 161 THR CA C 161 61.435 58.759 2.676 1 1 1499 . 11 1 1 A 161 161 THR CB C 161 69.809 71.963 -2.154 1 1 1501 . 11 1 1 A 161 161 THR N N 161 106.273 107.522 -1.249 1 1 1502 . 11 1 1 A 162 162 GLN H H 162 7.457 8.425 -0.968 1 1 1503 . 11 1 1 A 162 162 GLN HA H 162 3.923 4.080 -0.157 1 1 1509 . 11 1 1 A 162 162 GLN C C 162 174.988 176.563 -1.575 1 1 1510 . 11 1 1 A 162 162 GLN CA C 162 59.015 57.272 1.743 1 1 1511 . 11 1 1 A 162 162 GLN CB C 162 25.425 28.103 -2.678 1 1 1513 . 11 1 1 A 162 162 GLN N N 162 112.744 119.846 -7.102 1 1 1515 . 11 1 1 A 163 163 LYS H H 163 7.831 7.405 0.426 1 1 1516 . 11 1 1 A 163 163 LYS HA H 163 4.163 4.274 -0.111 1 1 1519 . 11 1 1 A 163 163 LYS C C 163 177.322 178.113 -0.791 1 1 1520 . 11 1 1 A 163 163 LYS CA C 163 58.055 57.041 1.014 1 1 1521 . 11 1 1 A 163 163 LYS CB C 163 32.041 32.183 -0.142 1 1 1525 . 11 1 1 A 163 163 LYS N N 163 124.132 118.460 5.672 1 1 1526 . 11 1 1 A 164 164 GLY H H 164 9.133 7.742 1.391 1 1 1527 . 11 1 1 A 164 164 GLY HA2 H 164 4.293 3.709 0.584 1 1 1528 . 11 1 1 A 164 164 GLY HA3 H 164 3.860 3.719 0.141 1 1 1529 . 11 1 1 A 164 164 GLY C C 164 174.825 175.318 -0.493 1 1 1530 . 11 1 1 A 164 164 GLY CA C 164 46.375 46.817 -0.442 1 1 1531 . 11 1 1 A 164 164 GLY N N 164 114.473 108.769 5.704 1 1 1532 . 11 1 1 A 165 165 LEU H H 165 7.400 8.210 -0.810 1 1 1533 . 11 1 1 A 165 165 LEU HA H 165 3.792 4.104 -0.312 1 1 1538 . 11 1 1 A 165 165 LEU C C 165 176.722 179.283 -2.561 1 1 1539 . 11 1 1 A 165 165 LEU CA C 165 58.737 57.889 0.848 1 1 1540 . 11 1 1 A 165 165 LEU CB C 165 43.498 41.234 2.264 1 1 1543 . 11 1 1 A 165 165 LEU N N 165 121.187 122.040 -0.853 1 1 1544 . 11 1 1 A 166 166 LYS H H 166 8.580 7.635 0.945 1 1 1545 . 11 1 1 A 166 166 LYS HA H 166 4.151 4.060 0.091 1 1 1548 . 11 1 1 A 166 166 LYS C C 166 179.204 178.864 0.340 1 1 1549 . 11 1 1 A 166 166 LYS CA C 166 60.208 59.587 0.621 1 1 1550 . 11 1 1 A 166 166 LYS CB C 166 31.801 31.897 -0.096 1 1 1554 . 11 1 1 A 166 166 LYS N N 166 116.769 118.048 -1.279 1 1 1555 . 11 1 1 A 167 167 ASN H H 167 8.125 8.143 -0.018 1 1 1556 . 11 1 1 A 167 167 ASN HA H 167 4.349 4.523 -0.174 1 1 1559 . 11 1 1 A 167 167 ASN C C 167 175.612 177.506 -1.894 1 1 1560 . 11 1 1 A 167 167 ASN CA C 167 56.686 56.452 0.234 1 1 1561 . 11 1 1 A 167 167 ASN CB C 167 38.650 38.941 -0.291 1 1 1562 . 11 1 1 A 167 167 ASN N N 167 114.773 118.039 -3.266 1 1 1563 . 11 1 1 A 168 168 VAL H H 168 7.365 7.504 -0.139 1 1 1564 . 11 1 1 A 168 168 VAL HA H 168 2.910 4.086 -1.176 1 1 1569 . 11 1 1 A 168 168 VAL C C 168 175.770 177.828 -2.058 1 1 1570 . 11 1 1 A 168 168 VAL CA C 168 67.103 63.923 3.180 1 1 1571 . 11 1 1 A 168 168 VAL CB C 168 30.845 31.730 -0.885 1 1 1574 . 11 1 1 A 168 168 VAL N N 168 117.042 116.490 0.552 1 1 1575 . 11 1 1 A 169 169 PHE H H 169 6.368 8.008 -1.640 1 1 1576 . 11 1 1 A 169 169 PHE HA H 169 3.751 4.137 -0.386 1 1 1579 . 11 1 1 A 169 169 PHE C C 169 178.202 177.454 0.748 1 1 1580 . 11 1 1 A 169 169 PHE CA C 169 61.975 61.379 0.596 1 1 1581 . 11 1 1 A 169 169 PHE CB C 169 38.990 39.146 -0.156 1 1 1582 . 11 1 1 A 169 169 PHE N N 169 113.983 123.431 -9.448 1 1 1583 . 11 1 1 A 170 170 ASP H H 170 7.906 8.369 -0.463 1 1 1584 . 11 1 1 A 170 170 ASP HA H 170 4.338 4.034 0.304 1 1 1586 . 11 1 1 A 170 170 ASP C C 170 178.596 179.390 -0.794 1 1 1587 . 11 1 1 A 170 170 ASP CA C 170 57.540 57.404 0.136 1 1 1588 . 11 1 1 A 170 170 ASP CB C 170 39.481 40.115 -0.634 1 1 1589 . 11 1 1 A 170 170 ASP N N 170 120.793 119.645 1.148 1 1 1590 . 11 1 1 A 171 171 GLU H H 171 8.048 8.023 0.025 1 1 1591 . 11 1 1 A 171 171 GLU HA H 171 3.989 3.939 0.050 1 1 1594 . 11 1 1 A 171 171 GLU C C 171 179.405 179.026 0.379 1 1 1595 . 11 1 1 A 171 171 GLU CA C 171 58.130 59.024 -0.894 1 1 1596 . 11 1 1 A 171 171 GLU CB C 171 27.546 29.211 -1.665 1 1 1598 . 11 1 1 A 171 171 GLU N N 171 115.893 119.709 -3.816 1 1 1599 . 11 1 1 A 172 172 ALA H H 172 7.937 7.749 0.188 1 1 1600 . 11 1 1 A 172 172 ALA HA H 172 3.759 3.989 -0.230 1 1 1604 . 11 1 1 A 172 172 ALA C C 172 177.968 180.121 -2.153 1 1 1605 . 11 1 1 A 172 172 ALA CA C 172 55.395 54.966 0.429 1 1 1606 . 11 1 1 A 172 172 ALA CB C 172 17.084 18.308 -1.224 1 1 1607 . 11 1 1 A 172 172 ALA N N 172 123.733 122.548 1.185 1 1 1608 . 11 1 1 A 173 173 ILE H H 173 7.645 7.168 0.477 1 1 1609 . 11 1 1 A 173 173 ILE HA H 173 3.314 3.552 -0.238 1 1 1615 . 11 1 1 A 173 173 ILE C C 173 177.082 178.544 -1.462 1 1 1616 . 11 1 1 A 173 173 ILE CA C 173 65.755 64.725 1.030 1 1 1617 . 11 1 1 A 173 173 ILE CB C 173 37.448 37.608 -0.160 1 1 1621 . 11 1 1 A 173 173 ILE N N 173 116.213 119.306 -3.093 1 1 1622 . 11 1 1 A 174 174 LEU H H 174 7.703 7.622 0.081 1 1 1623 . 11 1 1 A 174 174 LEU HA H 174 3.760 3.891 -0.131 1 1 1629 . 11 1 1 A 174 174 LEU C C 174 179.847 179.092 0.755 1 1 1630 . 11 1 1 A 174 174 LEU CA C 174 58.049 57.884 0.165 1 1 1631 . 11 1 1 A 174 174 LEU CB C 174 40.973 41.137 -0.164 1 1 1634 . 11 1 1 A 174 174 LEU N N 174 116.496 119.675 -3.179 1 1 1635 . 11 1 1 A 175 175 ALA H H 175 7.927 7.837 0.090 1 1 1636 . 11 1 1 A 175 175 ALA HA H 175 4.057 3.893 0.164 1 1 1640 . 11 1 1 A 175 175 ALA C C 175 178.605 179.520 -0.915 1 1 1641 . 11 1 1 A 175 175 ALA CA C 175 54.004 55.101 -1.097 1 1 1642 . 11 1 1 A 175 175 ALA CB C 175 18.464 18.286 0.178 1 1 1643 . 11 1 1 A 175 175 ALA N N 175 118.760 121.762 -3.002 1 1 1644 . 11 1 1 A 176 176 ALA H H 176 7.647 7.480 0.167 1 1 1645 . 11 1 1 A 176 176 ALA HA H 176 4.035 4.033 0.002 1 1 1649 . 11 1 1 A 176 176 ALA C C 176 178.284 179.736 -1.452 1 1 1650 . 11 1 1 A 176 176 ALA CA C 176 53.335 54.958 -1.623 1 1 1651 . 11 1 1 A 176 176 ALA CB C 176 18.985 17.912 1.073 1 1 1652 . 11 1 1 A 176 176 ALA N N 176 117.532 120.679 -3.147 1 1 1653 . 11 1 1 A 177 177 LEU H H 177 7.419 7.657 -0.238 1 1 1654 . 11 1 1 A 177 177 LEU HA H 177 4.210 3.916 0.294 1 1 1658 . 11 1 1 A 177 177 LEU C C 177 174.091 179.484 -5.393 1 1 1659 . 11 1 1 A 177 177 LEU CA C 177 55.035 57.647 -2.612 1 1 1660 . 11 1 1 A 177 177 LEU CB C 177 42.340 41.108 1.232 1 1 1663 . 11 1 1 A 177 177 LEU N N 177 115.220 118.451 -3.231 1 1 9 . 12 1 1 A 2 2 GLN H H 2 8.458 7.725 0.733 1 1 10 . 12 1 1 A 2 2 GLN HA H 2 4.330 4.798 -0.468 1 1 17 . 12 1 1 A 2 2 GLN C C 2 176.274 174.307 1.967 1 1 18 . 12 1 1 A 2 2 GLN CA C 2 55.806 54.239 1.567 1 1 19 . 12 1 1 A 2 2 GLN CB C 2 32.011 32.179 -0.168 1 1 21 . 12 1 1 A 2 2 GLN N N 2 121.530 115.467 6.063 1 1 23 . 12 1 1 A 3 3 THR H H 3 7.618 8.765 -1.147 1 1 24 . 12 1 1 A 3 3 THR HA H 3 4.683 5.115 -0.432 1 1 29 . 12 1 1 A 3 3 THR C C 3 173.331 172.708 0.623 1 1 30 . 12 1 1 A 3 3 THR CA C 3 61.640 59.938 1.702 1 1 31 . 12 1 1 A 3 3 THR CB C 3 70.160 72.033 -1.873 1 1 33 . 12 1 1 A 3 3 THR N N 3 120.510 115.998 4.512 1 1 34 . 12 1 1 A 4 4 ILE H H 4 9.077 8.617 0.460 1 1 35 . 12 1 1 A 4 4 ILE HA H 4 4.418 4.582 -0.164 1 1 38 . 12 1 1 A 4 4 ILE C C 4 173.824 174.384 -0.560 1 1 39 . 12 1 1 A 4 4 ILE CA C 4 59.775 60.324 -0.549 1 1 40 . 12 1 1 A 4 4 ILE CB C 4 40.441 40.122 0.319 1 1 44 . 12 1 1 A 4 4 ILE N N 4 127.486 125.174 2.312 1 1 45 . 12 1 1 A 5 5 LYS H H 5 10.666 8.405 2.261 1 1 46 . 12 1 1 A 5 5 LYS HA H 5 4.773 4.725 0.048 1 1 47 . 12 1 1 A 5 5 LYS C C 5 174.398 175.203 -0.805 1 1 48 . 12 1 1 A 5 5 LYS CA C 5 56.175 56.192 -0.017 1 1 49 . 12 1 1 A 5 5 LYS CB C 5 31.965 33.011 -1.046 1 1 52 . 12 1 1 A 5 5 LYS N N 5 131.626 128.686 2.940 1 1 53 . 12 1 1 A 6 6 CYS H H 6 9.473 8.988 0.485 1 1 54 . 12 1 1 A 6 6 CYS HA H 6 5.580 5.031 0.549 1 1 57 . 12 1 1 A 6 6 CYS C C 6 172.210 173.107 -0.897 1 1 58 . 12 1 1 A 6 6 CYS CA C 6 56.195 56.870 -0.675 1 1 59 . 12 1 1 A 6 6 CYS CB C 6 28.604 30.058 -1.454 1 1 60 . 12 1 1 A 6 6 CYS N N 6 131.522 127.018 4.504 1 1 61 . 12 1 1 A 7 7 VAL H H 7 7.607 8.706 -1.099 1 1 62 . 12 1 1 A 7 7 VAL HA H 7 5.014 4.836 0.178 1 1 70 . 12 1 1 A 7 7 VAL C C 7 174.077 174.548 -0.471 1 1 71 . 12 1 1 A 7 7 VAL CA C 7 60.575 61.327 -0.752 1 1 72 . 12 1 1 A 7 7 VAL CB C 7 33.100 33.354 -0.254 1 1 74 . 12 1 1 A 7 7 VAL N N 7 128.326 127.155 1.171 1 1 75 . 12 1 1 A 8 8 VAL H H 8 8.566 8.662 -0.096 1 1 76 . 12 1 1 A 8 8 VAL HA H 8 4.784 5.225 -0.441 1 1 84 . 12 1 1 A 8 8 VAL C C 8 174.443 173.577 0.866 1 1 85 . 12 1 1 A 8 8 VAL CA C 8 61.573 59.854 1.719 1 1 86 . 12 1 1 A 8 8 VAL CB C 8 32.367 35.586 -3.219 1 1 88 . 12 1 1 A 8 8 VAL N N 8 127.481 127.094 0.387 1 1 89 . 12 1 1 A 9 9 VAL H H 9 8.923 8.637 0.286 1 1 90 . 12 1 1 A 9 9 VAL HA H 9 4.419 4.792 -0.373 1 1 98 . 12 1 1 A 9 9 VAL C C 9 173.171 173.575 -0.404 1 1 99 . 12 1 1 A 9 9 VAL CA C 9 58.397 59.815 -1.418 1 1 100 . 12 1 1 A 9 9 VAL CB C 9 35.085 35.843 -0.758 1 1 102 . 12 1 1 A 9 9 VAL N N 9 116.900 125.046 -8.146 1 1 103 . 12 1 1 A 10 10 GLY H H 10 6.267 8.761 -2.494 1 1 104 . 12 1 1 A 10 10 GLY HA2 H 10 4.159 4.448 -0.289 1 1 105 . 12 1 1 A 10 10 GLY HA3 H 10 1.722 4.449 -2.727 1 1 106 . 12 1 1 A 10 10 GLY C C 10 172.378 172.042 0.336 1 1 107 . 12 1 1 A 10 10 GLY CA C 10 42.935 44.170 -1.235 1 1 108 . 12 1 1 A 10 10 GLY N N 10 106.077 113.795 -7.718 1 1 109 . 12 1 1 A 11 11 ASP H H 11 8.399 8.852 -0.453 1 1 110 . 12 1 1 A 11 11 ASP HA H 11 4.737 4.851 -0.114 1 1 112 . 12 1 1 A 11 11 ASP C C 11 177.486 177.679 -0.193 1 1 113 . 12 1 1 A 11 11 ASP CA C 11 55.635 54.670 0.965 1 1 114 . 12 1 1 A 11 11 ASP CB C 11 41.076 42.412 -1.336 1 1 115 . 12 1 1 A 11 11 ASP N N 11 119.142 120.191 -1.049 1 1 116 . 12 1 1 A 12 12 GLY H H 12 8.902 8.897 0.005 1 1 117 . 12 1 1 A 12 12 GLY HA2 H 12 3.954 3.879 0.075 1 1 118 . 12 1 1 A 12 12 GLY HA3 H 12 3.718 3.889 -0.171 1 1 119 . 12 1 1 A 12 12 GLY C C 12 173.624 176.214 -2.590 1 1 120 . 12 1 1 A 12 12 GLY CA C 12 46.955 47.485 -0.530 1 1 121 . 12 1 1 A 12 12 GLY N N 12 104.688 112.402 -7.714 1 1 122 . 12 1 1 A 13 13 ALA H H 13 10.666 8.228 2.438 1 1 123 . 12 1 1 A 13 13 ALA HA H 13 4.067 4.133 -0.066 1 1 127 . 12 1 1 A 13 13 ALA CA C 13 53.455 54.861 -1.406 1 1 128 . 12 1 1 A 13 13 ALA CB C 13 15.706 18.410 -2.704 1 1 129 . 12 1 1 A 13 13 ALA N N 13 123.135 124.172 -1.037 1 1 130 . 12 1 1 A 14 14 VAL H H 14 7.663 8.114 -0.451 1 1 131 . 12 1 1 A 14 14 VAL HA H 14 4.146 4.050 0.096 1 1 132 . 12 1 1 A 14 14 VAL C C 14 175.007 176.324 -1.317 1 1 133 . 12 1 1 A 14 14 VAL CA C 14 62.015 62.681 -0.666 1 1 134 . 12 1 1 A 14 14 VAL N N 14 118.803 118.464 0.339 1 1 135 . 12 1 1 A 15 15 GLY H H 15 8.686 8.680 0.006 1 1 136 . 12 1 1 A 15 15 GLY HA2 H 15 4.838 3.993 0.845 1 1 137 . 12 1 1 A 15 15 GLY HA3 H 15 4.312 3.997 0.315 1 1 138 . 12 1 1 A 15 15 GLY C C 15 175.934 175.573 0.361 1 1 139 . 12 1 1 A 15 15 GLY CA C 15 44.835 47.252 -2.417 1 1 140 . 12 1 1 A 15 15 GLY N N 15 110.360 115.051 -4.691 1 1 141 . 12 1 1 A 16 16 LYS H H 16 10.352 8.870 1.482 1 1 142 . 12 1 1 A 16 16 LYS HA H 16 3.575 4.081 -0.506 1 1 143 . 12 1 1 A 16 16 LYS C C 16 176.582 178.037 -1.455 1 1 144 . 12 1 1 A 16 16 LYS CA C 16 60.695 58.997 1.698 1 1 145 . 12 1 1 A 16 16 LYS CB C 16 29.661 32.082 -2.421 1 1 146 . 12 1 1 A 16 16 LYS N N 16 125.835 121.429 4.406 1 1 147 . 12 1 1 A 17 17 THR H H 17 9.024 8.073 0.951 1 1 148 . 12 1 1 A 17 17 THR HA H 17 3.930 4.134 -0.204 1 1 153 . 12 1 1 A 17 17 THR C C 17 177.493 177.417 0.076 1 1 154 . 12 1 1 A 17 17 THR CA C 17 66.984 65.422 1.562 1 1 155 . 12 1 1 A 17 17 THR CB C 17 67.298 68.242 -0.944 1 1 157 . 12 1 1 A 17 17 THR N N 17 118.089 110.918 7.171 1 1 158 . 12 1 1 A 18 18 CYS H H 18 9.773 8.216 1.557 1 1 159 . 12 1 1 A 18 18 CYS HA H 18 3.580 4.176 -0.596 1 1 162 . 12 1 1 A 18 18 CYS C C 18 176.716 177.058 -0.342 1 1 163 . 12 1 1 A 18 18 CYS CA C 18 65.816 62.910 2.906 1 1 164 . 12 1 1 A 18 18 CYS CB C 18 27.655 27.067 0.588 1 1 165 . 12 1 1 A 18 18 CYS N N 18 119.747 120.434 -0.687 1 1 166 . 12 1 1 A 19 19 LEU H H 19 8.195 7.792 0.403 1 1 167 . 12 1 1 A 19 19 LEU HA H 19 3.940 4.129 -0.189 1 1 174 . 12 1 1 A 19 19 LEU C C 19 177.177 178.715 -1.538 1 1 175 . 12 1 1 A 19 19 LEU CA C 19 59.366 57.831 1.535 1 1 176 . 12 1 1 A 19 19 LEU CB C 19 41.377 41.609 -0.232 1 1 178 . 12 1 1 A 19 19 LEU N N 19 121.557 123.078 -1.521 1 1 179 . 12 1 1 A 20 20 LEU H H 20 7.270 7.867 -0.597 1 1 180 . 12 1 1 A 20 20 LEU HA H 20 3.840 4.143 -0.303 1 1 189 . 12 1 1 A 20 20 LEU C C 20 180.155 179.140 1.015 1 1 190 . 12 1 1 A 20 20 LEU CA C 20 57.629 58.078 -0.449 1 1 191 . 12 1 1 A 20 20 LEU CB C 20 41.498 41.795 -0.297 1 1 194 . 12 1 1 A 20 20 LEU N N 20 117.986 117.829 0.157 1 1 195 . 12 1 1 A 21 21 ILE H H 21 8.619 7.684 0.935 1 1 196 . 12 1 1 A 21 21 ILE HA H 21 3.090 3.609 -0.519 1 1 202 . 12 1 1 A 21 21 ILE C C 21 179.125 177.843 1.282 1 1 203 . 12 1 1 A 21 21 ILE CA C 21 66.129 64.725 1.404 1 1 204 . 12 1 1 A 21 21 ILE CB C 21 38.338 37.635 0.703 1 1 208 . 12 1 1 A 21 21 ILE N N 21 121.078 120.567 0.511 1 1 209 . 12 1 1 A 22 22 SER H H 22 8.899 8.433 0.466 1 1 210 . 12 1 1 A 22 22 SER HA H 22 4.517 4.227 0.290 1 1 213 . 12 1 1 A 22 22 SER C C 22 176.876 176.269 0.607 1 1 214 . 12 1 1 A 22 22 SER CA C 22 61.380 63.022 -1.642 1 1 215 . 12 1 1 A 22 22 SER CB C 22 63.882 63.750 0.132 1 1 216 . 12 1 1 A 22 22 SER N N 22 118.286 116.225 2.061 1 1 217 . 12 1 1 A 23 23 TYR H H 23 7.951 7.702 0.249 1 1 218 . 12 1 1 A 23 23 TYR HA H 23 4.264 4.271 -0.007 1 1 223 . 12 1 1 A 23 23 TYR C C 23 176.820 177.179 -0.359 1 1 224 . 12 1 1 A 23 23 TYR CA C 23 60.474 61.577 -1.103 1 1 225 . 12 1 1 A 23 23 TYR CB C 23 39.531 38.847 0.684 1 1 226 . 12 1 1 A 23 23 TYR N N 23 117.292 123.396 -6.104 1 1 227 . 12 1 1 A 24 24 THR H H 24 7.702 8.713 -1.011 1 1 228 . 12 1 1 A 24 24 THR HA H 24 3.614 3.873 -0.259 1 1 233 . 12 1 1 A 24 24 THR C C 24 176.500 176.964 -0.464 1 1 234 . 12 1 1 A 24 24 THR CA C 24 64.095 66.539 -2.444 1 1 235 . 12 1 1 A 24 24 THR CB C 24 70.437 68.421 2.016 1 1 237 . 12 1 1 A 24 24 THR N N 24 105.659 115.710 -10.051 1 1 238 . 12 1 1 A 25 25 THR H H 25 8.080 8.318 -0.238 1 1 239 . 12 1 1 A 25 25 THR HA H 25 4.556 4.197 0.359 1 1 244 . 12 1 1 A 25 25 THR C C 25 175.025 174.935 0.090 1 1 245 . 12 1 1 A 25 25 THR CA C 25 61.975 62.378 -0.403 1 1 246 . 12 1 1 A 25 25 THR CB C 25 72.012 70.103 1.909 1 1 248 . 12 1 1 A 25 25 THR N N 25 109.689 109.021 0.668 1 1 249 . 12 1 1 A 26 26 ASN H H 26 7.603 8.188 -0.585 1 1 250 . 12 1 1 A 26 26 ASN HA H 26 4.501 4.682 -0.181 1 1 253 . 12 1 1 A 26 26 ASN C C 26 173.259 174.590 -1.331 1 1 254 . 12 1 1 A 26 26 ASN CA C 26 55.218 54.071 1.147 1 1 255 . 12 1 1 A 26 26 ASN CB C 26 38.009 37.507 0.502 1 1 256 . 12 1 1 A 26 26 ASN N N 26 115.569 119.556 -3.987 1 1 257 . 12 1 1 A 27 27 LYS H H 27 7.698 7.305 0.393 1 1 258 . 12 1 1 A 27 27 LYS HA H 27 4.431 4.118 0.313 1 1 261 . 12 1 1 A 27 27 LYS C C 27 173.500 176.056 -2.556 1 1 262 . 12 1 1 A 27 27 LYS CA C 27 55.163 55.179 -0.016 1 1 263 . 12 1 1 A 27 27 LYS CB C 27 35.034 32.846 2.188 1 1 267 . 12 1 1 A 27 27 LYS N N 27 118.253 118.698 -0.445 1 1 268 . 12 1 1 A 28 28 PHE H H 28 8.554 7.151 1.403 1 1 269 . 12 1 1 A 28 28 PHE CA C 28 55.575 61.031 -5.456 1 1 270 . 12 1 1 A 28 28 PHE CB C 28 39.322 37.932 1.390 1 1 271 . 12 1 1 A 28 28 PHE N N 28 125.682 123.588 2.094 1 1 272 . 12 1 1 A 29 29 PRO HA H 29 4.373 4.388 -0.015 1 1 274 . 12 1 1 A 29 29 PRO C C 29 173.611 178.110 -4.499 1 1 275 . 12 1 1 A 29 29 PRO CA C 29 61.978 65.489 -3.511 1 1 276 . 12 1 1 A 29 29 PRO CB C 29 30.039 31.378 -1.339 1 1 279 . 12 1 1 A 30 30 SER H H 30 7.993 8.169 -0.176 1 1 280 . 12 1 1 A 30 30 SER HA H 30 4.285 4.199 0.086 1 1 283 . 12 1 1 A 30 30 SER C C 30 174.665 174.863 -0.198 1 1 284 . 12 1 1 A 30 30 SER CA C 30 58.948 61.285 -2.337 1 1 285 . 12 1 1 A 30 30 SER CB C 30 64.019 63.480 0.539 1 1 286 . 12 1 1 A 30 30 SER N N 30 116.682 111.649 5.033 1 1 287 . 12 1 1 A 31 31 GLU H H 31 8.198 7.960 0.238 1 1 288 . 12 1 1 A 31 31 GLU HA H 31 4.308 3.965 0.343 1 1 292 . 12 1 1 A 31 31 GLU C C 31 175.157 175.572 -0.415 1 1 293 . 12 1 1 A 31 31 GLU CA C 31 56.846 57.621 -0.775 1 1 294 . 12 1 1 A 31 31 GLU CB C 31 30.113 27.421 2.692 1 1 296 . 12 1 1 A 31 31 GLU N N 31 120.151 116.245 3.906 1 1 297 . 12 1 1 A 32 32 TYR H H 32 7.714 8.110 -0.396 1 1 298 . 12 1 1 A 32 32 TYR HA H 32 4.407 4.393 0.014 1 1 302 . 12 1 1 A 32 32 TYR C C 32 173.544 176.081 -2.537 1 1 303 . 12 1 1 A 32 32 TYR CA C 32 58.368 60.372 -2.004 1 1 304 . 12 1 1 A 32 32 TYR CB C 32 38.614 39.486 -0.872 1 1 305 . 12 1 1 A 32 32 TYR N N 32 118.548 118.705 -0.157 1 1 306 . 12 1 1 A 33 33 VAL H H 33 7.764 8.209 -0.445 1 1 307 . 12 1 1 A 33 33 VAL HA H 33 4.048 3.874 0.174 1 1 315 . 12 1 1 A 33 33 VAL CA C 33 58.575 63.127 -4.552 1 1 316 . 12 1 1 A 33 33 VAL CB C 33 33.600 30.095 3.505 1 1 317 . 12 1 1 A 33 33 VAL N N 33 125.992 119.262 6.730 1 1 318 . 12 1 1 A 34 34 PRO HA H 34 4.215 4.560 -0.345 1 1 320 . 12 1 1 A 34 34 PRO C C 34 175.627 175.958 -0.331 1 1 321 . 12 1 1 A 34 34 PRO CA C 34 61.655 64.294 -2.639 1 1 322 . 12 1 1 A 34 34 PRO CB C 34 31.965 32.128 -0.163 1 1 325 . 12 1 1 A 35 35 ALA H H 35 8.503 7.298 1.205 1 1 326 . 12 1 1 A 35 35 ALA HA H 35 4.190 4.406 -0.216 1 1 330 . 12 1 1 A 35 35 ALA C C 35 178.295 174.549 3.746 1 1 331 . 12 1 1 A 35 35 ALA CA C 35 54.499 51.185 3.314 1 1 332 . 12 1 1 A 35 35 ALA CB C 35 18.235 21.352 -3.117 1 1 333 . 12 1 1 A 35 35 ALA N N 35 123.063 116.421 6.642 1 1 334 . 12 1 1 A 36 36 VAL H H 36 8.032 8.390 -0.358 1 1 335 . 12 1 1 A 36 36 VAL HA H 36 4.258 4.974 -0.716 1 1 340 . 12 1 1 A 36 36 VAL CA C 36 60.200 59.650 0.550 1 1 341 . 12 1 1 A 36 36 VAL CB C 36 29.879 35.532 -5.653 1 1 342 . 12 1 1 A 36 36 VAL N N 36 116.770 116.871 -0.101 1 1 344 . 12 1 1 A 37 37 PHE C C 37 174.502 175.479 -0.977 1 1 345 . 12 1 1 A 37 37 PHE CA C 37 56.175 59.563 -3.388 1 1 346 . 12 1 1 A 37 37 PHE CB C 37 40.231 39.882 0.349 1 1 347 . 12 1 1 A 38 38 ASP H H 38 7.602 7.993 -0.391 1 1 348 . 12 1 1 A 38 38 ASP HA H 38 4.343 4.964 -0.621 1 1 351 . 12 1 1 A 38 38 ASP C C 38 174.386 174.818 -0.432 1 1 352 . 12 1 1 A 38 38 ASP CA C 38 54.323 52.587 1.736 1 1 353 . 12 1 1 A 38 38 ASP CB C 38 40.815 42.854 -2.039 1 1 354 . 12 1 1 A 38 38 ASP N N 38 125.774 113.197 12.577 1 1 355 . 12 1 1 A 39 39 ASN H H 39 7.917 8.278 -0.361 1 1 356 . 12 1 1 A 39 39 ASN HA H 39 4.303 4.578 -0.275 1 1 360 . 12 1 1 A 39 39 ASN C C 39 173.897 174.969 -1.072 1 1 361 . 12 1 1 A 39 39 ASN CA C 39 54.317 53.483 0.834 1 1 362 . 12 1 1 A 39 39 ASN CB C 39 38.180 38.637 -0.457 1 1 363 . 12 1 1 A 39 39 ASN N N 39 117.429 117.255 0.174 1 1 365 . 12 1 1 A 40 40 TYR H H 40 7.726 8.871 -1.145 1 1 366 . 12 1 1 A 40 40 TYR HA H 40 4.513 5.187 -0.674 1 1 370 . 12 1 1 A 40 40 TYR C C 40 172.772 174.864 -2.092 1 1 371 . 12 1 1 A 40 40 TYR CA C 40 57.335 56.655 0.680 1 1 372 . 12 1 1 A 40 40 TYR CB C 40 42.956 41.993 0.963 1 1 373 . 12 1 1 A 40 40 TYR N N 40 122.998 121.094 1.904 1 1 374 . 12 1 1 A 41 41 ALA H H 41 7.651 8.840 -1.189 1 1 375 . 12 1 1 A 41 41 ALA HA H 41 5.636 5.433 0.203 1 1 379 . 12 1 1 A 41 41 ALA C C 41 175.778 176.006 -0.228 1 1 380 . 12 1 1 A 41 41 ALA CA C 41 50.456 50.031 0.425 1 1 381 . 12 1 1 A 41 41 ALA CB C 41 20.492 22.182 -1.690 1 1 382 . 12 1 1 A 41 41 ALA N N 41 127.028 124.980 2.048 1 1 383 . 12 1 1 A 42 42 VAL H H 42 8.781 8.967 -0.186 1 1 384 . 12 1 1 A 42 42 VAL HA H 42 4.564 4.848 -0.284 1 1 389 . 12 1 1 A 42 42 VAL C C 42 173.852 174.420 -0.568 1 1 390 . 12 1 1 A 42 42 VAL CA C 42 59.278 60.465 -1.187 1 1 391 . 12 1 1 A 42 42 VAL CB C 42 35.342 35.902 -0.560 1 1 393 . 12 1 1 A 42 42 VAL N N 42 117.471 121.571 -4.100 1 1 394 . 12 1 1 A 43 43 THR H H 43 8.566 8.866 -0.300 1 1 395 . 12 1 1 A 43 43 THR HA H 43 5.124 4.904 0.220 1 1 400 . 12 1 1 A 43 43 THR C C 43 174.210 174.116 0.094 1 1 401 . 12 1 1 A 43 43 THR CA C 43 62.434 62.217 0.217 1 1 402 . 12 1 1 A 43 43 THR CB C 43 69.296 69.992 -0.696 1 1 404 . 12 1 1 A 43 43 THR N N 43 120.850 123.200 -2.350 1 1 405 . 12 1 1 A 44 44 VAL H H 44 9.442 8.886 0.556 1 1 406 . 12 1 1 A 44 44 VAL HA H 44 4.367 4.639 -0.272 1 1 411 . 12 1 1 A 44 44 VAL C C 44 174.061 174.654 -0.593 1 1 412 . 12 1 1 A 44 44 VAL CA C 44 60.639 61.074 -0.435 1 1 413 . 12 1 1 A 44 44 VAL CB C 44 35.053 34.544 0.509 1 1 415 . 12 1 1 A 44 44 VAL N N 44 127.764 126.978 0.786 1 1 416 . 12 1 1 A 45 45 MET H H 45 8.513 8.648 -0.135 1 1 417 . 12 1 1 A 45 45 MET HA H 45 5.272 5.115 0.157 1 1 421 . 12 1 1 A 45 45 MET C C 45 176.395 175.713 0.682 1 1 422 . 12 1 1 A 45 45 MET CA C 45 53.264 53.877 -0.613 1 1 423 . 12 1 1 A 45 45 MET CB C 45 31.692 32.877 -1.185 1 1 424 . 12 1 1 A 45 45 MET N N 45 123.063 124.940 -1.877 1 1 425 . 12 1 1 A 46 46 ILE H H 46 9.103 8.806 0.297 1 1 426 . 12 1 1 A 46 46 ILE HA H 46 4.382 4.592 -0.210 1 1 434 . 12 1 1 A 46 46 ILE C C 46 177.661 176.428 1.233 1 1 435 . 12 1 1 A 46 46 ILE CA C 46 59.755 60.228 -0.473 1 1 436 . 12 1 1 A 46 46 ILE CB C 46 38.913 40.692 -1.779 1 1 440 . 12 1 1 A 46 46 ILE N N 46 125.267 125.048 0.219 1 1 441 . 12 1 1 A 47 47 GLY H H 47 9.385 9.783 -0.398 1 1 442 . 12 1 1 A 47 47 GLY HA2 H 47 4.755 3.883 0.872 1 1 443 . 12 1 1 A 47 47 GLY HA3 H 47 3.851 3.897 -0.046 1 1 444 . 12 1 1 A 47 47 GLY C C 47 175.195 175.364 -0.169 1 1 445 . 12 1 1 A 47 47 GLY CA C 47 47.015 46.783 0.232 1 1 446 . 12 1 1 A 47 47 GLY N N 47 119.278 117.795 1.483 1 1 447 . 12 1 1 A 48 48 GLY H H 48 8.606 8.679 -0.073 1 1 448 . 12 1 1 A 48 48 GLY HA2 H 48 4.140 3.895 0.245 1 1 449 . 12 1 1 A 48 48 GLY HA3 H 48 3.623 3.898 -0.275 1 1 450 . 12 1 1 A 48 48 GLY C C 48 172.844 174.057 -1.213 1 1 451 . 12 1 1 A 48 48 GLY CA C 48 44.889 45.382 -0.493 1 1 452 . 12 1 1 A 48 48 GLY N N 48 104.656 107.944 -3.288 1 1 453 . 12 1 1 A 49 49 GLU H H 49 7.722 9.767 -2.045 1 1 454 . 12 1 1 A 49 49 GLU HA H 49 4.182 4.581 -0.399 1 1 457 . 12 1 1 A 49 49 GLU CA C 49 52.336 53.760 -1.424 1 1 458 . 12 1 1 A 49 49 GLU CB C 49 31.160 30.444 0.716 1 1 459 . 12 1 1 A 49 49 GLU N N 49 120.543 121.474 -0.931 1 1 460 . 12 1 1 A 50 50 PRO HA H 50 4.977 4.584 0.393 1 1 462 . 12 1 1 A 50 50 PRO C C 50 177.922 175.202 2.720 1 1 463 . 12 1 1 A 50 50 PRO CA C 50 62.080 63.168 -1.088 1 1 464 . 12 1 1 A 50 50 PRO CB C 50 32.147 31.947 0.200 1 1 465 . 12 1 1 A 51 51 TYR H H 51 9.148 8.678 0.470 1 1 466 . 12 1 1 A 51 51 TYR HA H 51 4.683 4.996 -0.313 1 1 470 . 12 1 1 A 51 51 TYR C C 51 176.400 175.730 0.670 1 1 471 . 12 1 1 A 51 51 TYR CA C 51 57.344 56.800 0.544 1 1 472 . 12 1 1 A 51 51 TYR CB C 51 41.669 42.070 -0.401 1 1 473 . 12 1 1 A 51 51 TYR N N 51 121.300 124.273 -2.973 1 1 474 . 12 1 1 A 52 52 THR H H 52 8.889 9.049 -0.160 1 1 475 . 12 1 1 A 52 52 THR HA H 52 4.113 4.621 -0.508 1 1 477 . 12 1 1 A 52 52 THR C C 52 172.149 173.490 -1.341 1 1 478 . 12 1 1 A 52 52 THR CA C 52 62.400 62.788 -0.388 1 1 479 . 12 1 1 A 52 52 THR CB C 52 69.447 69.283 0.164 1 1 481 . 12 1 1 A 52 52 THR N N 52 119.482 118.904 0.578 1 1 482 . 12 1 1 A 53 53 LEU H H 53 9.480 8.791 0.689 1 1 483 . 12 1 1 A 53 53 LEU HA H 53 5.030 5.284 -0.254 1 1 491 . 12 1 1 A 53 53 LEU C C 53 174.307 174.712 -0.405 1 1 492 . 12 1 1 A 53 53 LEU CA C 53 53.375 53.616 -0.241 1 1 493 . 12 1 1 A 53 53 LEU CB C 53 44.216 45.717 -1.501 1 1 496 . 12 1 1 A 53 53 LEU N N 53 131.364 129.691 1.673 1 1 497 . 12 1 1 A 54 54 GLY H H 54 9.749 8.954 0.795 1 1 498 . 12 1 1 A 54 54 GLY HA2 H 54 4.571 4.178 0.393 1 1 499 . 12 1 1 A 54 54 GLY HA3 H 54 3.577 4.226 -0.649 1 1 500 . 12 1 1 A 54 54 GLY C C 54 171.929 171.320 0.609 1 1 501 . 12 1 1 A 54 54 GLY CA C 54 45.195 43.972 1.223 1 1 502 . 12 1 1 A 54 54 GLY N N 54 115.640 112.911 2.729 1 1 503 . 12 1 1 A 55 55 LEU H H 55 8.623 8.778 -0.155 1 1 504 . 12 1 1 A 55 55 LEU HA H 55 5.104 4.910 0.194 1 1 510 . 12 1 1 A 55 55 LEU C C 55 176.000 175.834 0.166 1 1 511 . 12 1 1 A 55 55 LEU CA C 55 54.202 52.890 1.312 1 1 512 . 12 1 1 A 55 55 LEU CB C 55 44.057 43.130 0.927 1 1 515 . 12 1 1 A 55 55 LEU N N 55 125.141 124.283 0.858 1 1 516 . 12 1 1 A 56 56 PHE H H 56 8.735 9.162 -0.427 1 1 517 . 12 1 1 A 56 56 PHE HA H 56 4.821 5.161 -0.340 1 1 521 . 12 1 1 A 56 56 PHE C C 56 173.130 174.822 -1.692 1 1 522 . 12 1 1 A 56 56 PHE CA C 56 56.833 56.194 0.639 1 1 523 . 12 1 1 A 56 56 PHE CB C 56 40.776 41.542 -0.766 1 1 524 . 12 1 1 A 56 56 PHE N N 56 122.065 123.296 -1.231 1 1 525 . 12 1 1 A 57 57 ASP H H 57 9.093 8.978 0.115 1 1 526 . 12 1 1 A 57 57 ASP HA H 57 4.877 5.353 -0.476 1 1 529 . 12 1 1 A 57 57 ASP C C 57 175.941 175.143 0.798 1 1 530 . 12 1 1 A 57 57 ASP CA C 57 51.755 52.494 -0.739 1 1 531 . 12 1 1 A 57 57 ASP CB C 57 43.082 44.230 -1.148 1 1 532 . 12 1 1 A 57 57 ASP N N 57 124.050 119.200 4.850 1 1 533 . 12 1 1 A 58 58 THR H H 58 8.621 8.626 -0.005 1 1 534 . 12 1 1 A 58 58 THR HA H 58 3.905 4.527 -0.622 1 1 535 . 12 1 1 A 58 58 THR C C 58 172.124 174.326 -2.202 1 1 536 . 12 1 1 A 58 58 THR CA C 58 60.335 62.931 -2.596 1 1 537 . 12 1 1 A 58 58 THR CB C 58 74.469 69.582 4.887 1 1 538 . 12 1 1 A 58 58 THR N N 58 109.327 115.566 -6.239 1 1 539 . 12 1 1 A 59 59 ALA H H 59 8.695 8.449 0.246 1 1 540 . 12 1 1 A 59 59 ALA HA H 59 4.565 4.427 0.138 1 1 544 . 12 1 1 A 59 59 ALA CA C 59 50.475 51.103 -0.628 1 1 545 . 12 1 1 A 59 59 ALA CB C 59 18.224 19.659 -1.435 1 1 546 . 12 1 1 A 59 59 ALA N N 59 123.129 127.784 -4.655 1 1 547 . 12 1 1 A 60 60 GLY H H 60 8.630 8.536 0.094 1 1 548 . 12 1 1 A 60 60 GLY HA2 H 60 4.420 3.832 0.588 1 1 549 . 12 1 1 A 60 60 GLY HA3 H 60 3.902 3.843 0.059 1 1 550 . 12 1 1 A 60 60 GLY C C 60 173.122 175.263 -2.141 1 1 551 . 12 1 1 A 60 60 GLY CA C 60 46.178 46.892 -0.714 1 1 552 . 12 1 1 A 60 60 GLY N N 60 109.449 109.873 -0.424 1 1 553 . 12 1 1 A 61 61 GLN H H 61 8.553 8.812 -0.259 1 1 554 . 12 1 1 A 61 61 GLN HA H 61 4.492 4.067 0.425 1 1 560 . 12 1 1 A 61 61 GLN C C 61 177.014 175.669 1.345 1 1 561 . 12 1 1 A 61 61 GLN CA C 61 56.895 56.856 0.039 1 1 562 . 12 1 1 A 61 61 GLN CB C 61 28.863 26.094 2.769 1 1 564 . 12 1 1 A 61 61 GLN N N 61 118.471 120.083 -1.612 1 1 566 . 12 1 1 A 62 62 GLU H H 62 9.082 8.104 0.978 1 1 567 . 12 1 1 A 62 62 GLU HA H 62 4.292 4.102 0.190 1 1 570 . 12 1 1 A 62 62 GLU C C 62 178.273 177.932 0.341 1 1 571 . 12 1 1 A 62 62 GLU CA C 62 58.361 58.892 -0.531 1 1 572 . 12 1 1 A 62 62 GLU CB C 62 28.579 29.599 -1.020 1 1 574 . 12 1 1 A 62 62 GLU N N 62 122.087 118.485 3.602 1 1 575 . 12 1 1 A 63 63 ASP H H 63 8.636 8.489 0.147 1 1 576 . 12 1 1 A 63 63 ASP HA H 63 4.348 4.529 -0.181 1 1 579 . 12 1 1 A 63 63 ASP C C 63 176.712 176.063 0.649 1 1 580 . 12 1 1 A 63 63 ASP CA C 63 55.587 54.171 1.416 1 1 581 . 12 1 1 A 63 63 ASP CB C 63 39.571 39.496 0.075 1 1 582 . 12 1 1 A 63 63 ASP N N 63 117.009 116.054 0.955 1 1 583 . 12 1 1 A 64 64 TYR H H 64 8.061 7.700 0.361 1 1 584 . 12 1 1 A 64 64 TYR HA H 64 4.609 4.612 -0.003 1 1 587 . 12 1 1 A 64 64 TYR C C 64 176.254 174.752 1.502 1 1 588 . 12 1 1 A 64 64 TYR CA C 64 58.231 57.572 0.659 1 1 589 . 12 1 1 A 64 64 TYR CB C 64 38.650 38.507 0.143 1 1 590 . 12 1 1 A 64 64 TYR N N 64 117.063 119.198 -2.135 1 1 591 . 12 1 1 A 65 65 ASP H H 65 8.064 8.154 -0.090 1 1 592 . 12 1 1 A 65 65 ASP HA H 65 4.439 4.324 0.115 1 1 594 . 12 1 1 A 65 65 ASP C C 65 175.163 176.497 -1.334 1 1 595 . 12 1 1 A 65 65 ASP CA C 65 57.971 55.392 2.579 1 1 596 . 12 1 1 A 65 65 ASP N N 65 122.196 118.593 3.603 1 1 597 . 12 1 1 A 66 66 ARG H H 66 8.537 7.940 0.597 1 1 598 . 12 1 1 A 66 66 ARG HA H 66 4.345 3.977 0.368 1 1 599 . 12 1 1 A 66 66 ARG C C 66 175.009 176.976 -1.967 1 1 600 . 12 1 1 A 66 66 ARG CA C 66 56.217 58.761 -2.544 1 1 601 . 12 1 1 A 66 66 ARG N N 66 122.224 120.303 1.921 1 1 602 . 12 1 1 A 67 67 LEU H H 67 8.336 7.464 0.872 1 1 603 . 12 1 1 A 67 67 LEU HA H 67 4.037 4.343 -0.306 1 1 604 . 12 1 1 A 67 67 LEU CA C 67 61.694 54.824 6.870 1 1 605 . 12 1 1 A 67 67 LEU N N 67 117.734 121.955 -4.221 1 1 607 . 12 1 1 A 69 69 PRO C C 69 178.122 177.219 0.903 1 1 608 . 12 1 1 A 69 69 PRO CA C 69 63.575 63.577 -0.002 1 1 611 . 12 1 1 A 70 70 LEU H H 70 7.470 8.616 -1.146 1 1 612 . 12 1 1 A 70 70 LEU HA H 70 4.031 3.697 0.334 1 1 621 . 12 1 1 A 70 70 LEU C C 70 178.756 177.973 0.783 1 1 622 . 12 1 1 A 70 70 LEU CA C 70 56.944 57.615 -0.671 1 1 623 . 12 1 1 A 70 70 LEU CB C 70 40.002 41.826 -1.824 1 1 626 . 12 1 1 A 70 70 LEU N N 70 118.335 120.825 -2.490 1 1 627 . 12 1 1 A 71 71 SER H H 71 7.882 7.595 0.287 1 1 628 . 12 1 1 A 71 71 SER HA H 71 4.461 4.231 0.230 1 1 630 . 12 1 1 A 71 71 SER C C 71 179.200 173.685 5.515 1 1 631 . 12 1 1 A 71 71 SER CA C 71 59.710 58.204 1.506 1 1 632 . 12 1 1 A 71 71 SER CB C 71 63.841 63.791 0.050 1 1 633 . 12 1 1 A 71 71 SER N N 71 111.784 111.557 0.227 1 1 634 . 12 1 1 A 72 72 TYR H H 72 7.362 7.549 -0.187 1 1 635 . 12 1 1 A 72 72 TYR CA C 72 56.002 58.657 -2.655 1 1 636 . 12 1 1 A 72 72 TYR CB C 72 35.144 35.769 -0.625 1 1 637 . 12 1 1 A 72 72 TYR N N 72 119.959 116.656 3.303 1 1 638 . 12 1 1 A 73 73 PRO HA H 73 4.231 4.547 -0.316 1 1 639 . 12 1 1 A 73 73 PRO C C 73 176.096 176.425 -0.329 1 1 640 . 12 1 1 A 73 73 PRO CA C 73 66.055 62.964 3.091 1 1 641 . 12 1 1 A 73 73 PRO CB C 73 35.726 32.486 3.240 1 1 642 . 12 1 1 A 74 74 GLN H H 74 8.995 8.516 0.479 1 1 643 . 12 1 1 A 74 74 GLN HA H 74 3.790 5.006 -1.216 1 1 647 . 12 1 1 A 74 74 GLN C C 74 174.686 173.830 0.856 1 1 648 . 12 1 1 A 74 74 GLN CA C 74 57.416 53.968 3.448 1 1 649 . 12 1 1 A 74 74 GLN CB C 74 25.352 32.507 -7.155 1 1 651 . 12 1 1 A 74 74 GLN N N 74 114.768 117.069 -2.301 1 1 653 . 12 1 1 A 75 75 THR H H 75 7.504 8.624 -1.120 1 1 654 . 12 1 1 A 75 75 THR HA H 75 3.172 4.804 -1.632 1 1 659 . 12 1 1 A 75 75 THR C C 75 173.589 173.359 0.230 1 1 660 . 12 1 1 A 75 75 THR CA C 75 67.162 59.456 7.706 1 1 661 . 12 1 1 A 75 75 THR CB C 75 61.122 71.628 -10.506 1 1 663 . 12 1 1 A 75 75 THR N N 75 116.725 110.755 5.970 1 1 664 . 12 1 1 A 76 76 ASP H H 76 8.865 8.785 0.080 1 1 665 . 12 1 1 A 76 76 ASP HA H 76 4.873 4.871 0.002 1 1 668 . 12 1 1 A 76 76 ASP C C 76 177.600 175.701 1.899 1 1 669 . 12 1 1 A 76 76 ASP CA C 76 56.105 54.902 1.203 1 1 670 . 12 1 1 A 76 76 ASP CB C 76 44.016 43.671 0.345 1 1 671 . 12 1 1 A 76 76 ASP N N 76 124.192 120.111 4.081 1 1 672 . 12 1 1 A 77 77 VAL H H 77 7.578 7.404 0.174 1 1 673 . 12 1 1 A 77 77 VAL HA H 77 4.706 4.634 0.072 1 1 681 . 12 1 1 A 77 77 VAL C C 77 171.266 174.135 -2.869 1 1 682 . 12 1 1 A 77 77 VAL CA C 77 60.346 60.805 -0.459 1 1 683 . 12 1 1 A 77 77 VAL CB C 77 32.362 35.156 -2.794 1 1 685 . 12 1 1 A 77 77 VAL N N 77 116.060 117.531 -1.471 1 1 686 . 12 1 1 A 78 78 PHE H H 78 8.287 8.916 -0.629 1 1 687 . 12 1 1 A 78 78 PHE HA H 78 5.646 5.310 0.336 1 1 690 . 12 1 1 A 78 78 PHE C C 78 175.799 174.426 1.373 1 1 691 . 12 1 1 A 78 78 PHE CA C 78 56.686 55.794 0.892 1 1 692 . 12 1 1 A 78 78 PHE CB C 78 43.413 40.882 2.531 1 1 693 . 12 1 1 A 78 78 PHE N N 78 121.935 126.159 -4.224 1 1 694 . 12 1 1 A 79 79 LEU H H 79 8.937 9.032 -0.095 1 1 695 . 12 1 1 A 79 79 LEU HA H 79 4.691 5.228 -0.537 1 1 701 . 12 1 1 A 79 79 LEU C C 79 174.059 174.586 -0.527 1 1 702 . 12 1 1 A 79 79 LEU CA C 79 53.575 53.377 0.198 1 1 703 . 12 1 1 A 79 79 LEU CB C 79 41.184 45.376 -4.192 1 1 706 . 12 1 1 A 79 79 LEU N N 79 119.060 124.879 -5.819 1 1 707 . 12 1 1 A 80 80 VAL H H 80 8.828 8.858 -0.030 1 1 708 . 12 1 1 A 80 80 VAL HA H 80 4.138 4.894 -0.756 1 1 716 . 12 1 1 A 80 80 VAL C C 80 174.535 174.838 -0.303 1 1 717 . 12 1 1 A 80 80 VAL CA C 80 61.395 60.402 0.993 1 1 718 . 12 1 1 A 80 80 VAL CB C 80 30.602 34.849 -4.247 1 1 721 . 12 1 1 A 80 80 VAL N N 80 124.677 126.092 -1.415 1 1 722 . 12 1 1 A 81 81 CYS H H 81 8.795 9.212 -0.417 1 1 723 . 12 1 1 A 81 81 CYS HA H 81 5.758 5.697 0.061 1 1 726 . 12 1 1 A 81 81 CYS C C 81 173.980 174.169 -0.189 1 1 727 . 12 1 1 A 81 81 CYS CA C 81 57.821 57.130 0.691 1 1 728 . 12 1 1 A 81 81 CYS CB C 81 30.043 30.309 -0.266 1 1 729 . 12 1 1 A 81 81 CYS N N 81 123.745 124.427 -0.682 1 1 730 . 12 1 1 A 82 82 PHE H H 82 8.873 8.479 0.394 1 1 731 . 12 1 1 A 82 82 PHE HA H 82 4.532 5.458 -0.926 1 1 735 . 12 1 1 A 82 82 PHE C C 82 171.090 173.404 -2.314 1 1 736 . 12 1 1 A 82 82 PHE CA C 82 56.367 55.745 0.622 1 1 737 . 12 1 1 A 82 82 PHE CB C 82 40.091 42.057 -1.966 1 1 738 . 12 1 1 A 82 82 PHE N N 82 117.718 120.352 -2.634 1 1 739 . 12 1 1 A 83 83 SER H H 83 8.038 8.642 -0.604 1 1 740 . 12 1 1 A 83 83 SER HA H 83 5.204 4.403 0.801 1 1 743 . 12 1 1 A 83 83 SER C C 83 178.547 174.430 4.117 1 1 744 . 12 1 1 A 83 83 SER CA C 83 55.000 59.176 -4.176 1 1 745 . 12 1 1 A 83 83 SER CB C 83 63.051 63.658 -0.607 1 1 746 . 12 1 1 A 83 83 SER N N 83 113.246 117.347 -4.101 1 1 747 . 12 1 1 A 84 84 VAL H H 84 8.609 8.654 -0.045 1 1 748 . 12 1 1 A 84 84 VAL HA H 84 4.261 4.274 -0.013 1 1 756 . 12 1 1 A 84 84 VAL C C 84 175.783 177.195 -1.412 1 1 757 . 12 1 1 A 84 84 VAL CA C 84 63.745 63.935 -0.190 1 1 758 . 12 1 1 A 84 84 VAL CB C 84 29.811 32.167 -2.356 1 1 760 . 12 1 1 A 84 84 VAL N N 84 120.609 125.743 -5.134 1 1 761 . 12 1 1 A 85 85 VAL H H 85 7.653 7.607 0.046 1 1 762 . 12 1 1 A 85 85 VAL HA H 85 4.508 4.171 0.337 1 1 767 . 12 1 1 A 85 85 VAL C C 85 173.401 175.146 -1.745 1 1 768 . 12 1 1 A 85 85 VAL CA C 85 59.998 63.867 -3.869 1 1 769 . 12 1 1 A 85 85 VAL CB C 85 29.718 31.748 -2.030 1 1 772 . 12 1 1 A 85 85 VAL N N 85 107.920 119.327 -11.407 1 1 773 . 12 1 1 A 86 86 SER H H 86 7.792 7.784 0.008 1 1 774 . 12 1 1 A 86 86 SER HA H 86 5.200 4.767 0.433 1 1 777 . 12 1 1 A 86 86 SER CA C 86 53.848 55.668 -1.820 1 1 778 . 12 1 1 A 86 86 SER CB C 86 62.720 64.264 -1.544 1 1 779 . 12 1 1 A 86 86 SER N N 86 112.608 117.700 -5.092 1 1 780 . 12 1 1 A 87 87 PRO C C 87 178.275 178.796 -0.521 1 1 781 . 12 1 1 A 87 87 PRO CA C 87 65.655 65.630 0.025 1 1 782 . 12 1 1 A 87 87 PRO CB C 87 31.961 31.623 0.338 1 1 783 . 12 1 1 A 88 88 SER H H 88 8.928 8.353 0.575 1 1 784 . 12 1 1 A 88 88 SER HA H 88 4.783 4.229 0.554 1 1 787 . 12 1 1 A 88 88 SER C C 88 176.192 176.541 -0.349 1 1 788 . 12 1 1 A 88 88 SER CA C 88 61.630 61.527 0.103 1 1 789 . 12 1 1 A 88 88 SER CB C 88 71.811 62.723 9.088 1 1 790 . 12 1 1 A 88 88 SER N N 88 113.475 113.320 0.155 1 1 791 . 12 1 1 A 89 89 SER H H 89 8.022 8.116 -0.094 1 1 792 . 12 1 1 A 89 89 SER HA H 89 5.047 4.354 0.693 1 1 795 . 12 1 1 A 89 89 SER C C 89 176.417 176.737 -0.320 1 1 796 . 12 1 1 A 89 89 SER CA C 89 61.352 60.804 0.548 1 1 797 . 12 1 1 A 89 89 SER CB C 89 63.930 63.363 0.567 1 1 798 . 12 1 1 A 89 89 SER N N 89 120.789 116.373 4.416 1 1 799 . 12 1 1 A 90 90 PHE H H 90 7.454 8.168 -0.714 1 1 800 . 12 1 1 A 90 90 PHE HA H 90 3.967 4.010 -0.043 1 1 804 . 12 1 1 A 90 90 PHE C C 90 177.387 177.331 0.056 1 1 805 . 12 1 1 A 90 90 PHE CA C 90 59.945 61.142 -1.197 1 1 806 . 12 1 1 A 90 90 PHE CB C 90 39.365 39.276 0.089 1 1 807 . 12 1 1 A 90 90 PHE N N 90 124.950 122.423 2.527 1 1 808 . 12 1 1 A 91 91 GLU H H 91 8.245 8.202 0.043 1 1 809 . 12 1 1 A 91 91 GLU HA H 91 3.921 3.843 0.078 1 1 811 . 12 1 1 A 91 91 GLU C C 91 179.695 178.165 1.530 1 1 812 . 12 1 1 A 91 91 GLU CA C 91 59.102 59.826 -0.724 1 1 813 . 12 1 1 A 91 91 GLU CB C 91 28.437 29.669 -1.232 1 1 815 . 12 1 1 A 91 91 GLU N N 91 119.953 119.518 0.435 1 1 816 . 12 1 1 A 92 92 ASN H H 92 8.106 8.304 -0.198 1 1 817 . 12 1 1 A 92 92 ASN HA H 92 4.760 4.321 0.439 1 1 821 . 12 1 1 A 92 92 ASN C C 92 178.593 177.736 0.857 1 1 822 . 12 1 1 A 92 92 ASN CA C 92 54.635 56.330 -1.695 1 1 823 . 12 1 1 A 92 92 ASN CB C 92 37.879 38.449 -0.570 1 1 824 . 12 1 1 A 92 92 ASN N N 92 114.315 118.734 -4.419 1 1 826 . 12 1 1 A 93 93 VAL H H 93 7.883 7.542 0.341 1 1 827 . 12 1 1 A 93 93 VAL HA H 93 3.738 3.514 0.224 1 1 835 . 12 1 1 A 93 93 VAL C C 93 174.932 177.471 -2.539 1 1 836 . 12 1 1 A 93 93 VAL CA C 93 68.395 66.901 1.494 1 1 837 . 12 1 1 A 93 93 VAL CB C 93 30.596 31.000 -0.404 1 1 839 . 12 1 1 A 93 93 VAL N N 93 124.067 120.267 3.800 1 1 840 . 12 1 1 A 94 94 LYS H H 94 6.590 7.519 -0.929 1 1 841 . 12 1 1 A 94 94 LYS HA H 94 3.902 4.097 -0.195 1 1 846 . 12 1 1 A 94 94 LYS C C 94 176.885 178.838 -1.953 1 1 847 . 12 1 1 A 94 94 LYS CA C 94 58.135 56.999 1.136 1 1 848 . 12 1 1 A 94 94 LYS CB C 94 33.163 32.231 0.932 1 1 851 . 12 1 1 A 94 94 LYS N N 94 115.269 119.047 -3.778 1 1 852 . 12 1 1 A 95 95 GLU H H 95 7.719 7.566 0.153 1 1 853 . 12 1 1 A 95 95 GLU HA H 95 4.089 3.942 0.147 1 1 857 . 12 1 1 A 95 95 GLU C C 95 176.252 177.512 -1.260 1 1 858 . 12 1 1 A 95 95 GLU CA C 95 57.564 58.594 -1.030 1 1 859 . 12 1 1 A 95 95 GLU CB C 95 30.353 29.552 0.801 1 1 861 . 12 1 1 A 95 95 GLU N N 95 112.466 120.702 -8.236 1 1 862 . 12 1 1 A 96 96 LYS H H 96 8.063 7.108 0.955 1 1 863 . 12 1 1 A 96 96 LYS HA H 96 4.250 4.060 0.190 1 1 867 . 12 1 1 A 96 96 LYS C C 96 177.781 177.776 0.005 1 1 868 . 12 1 1 A 96 96 LYS CA C 96 57.343 56.658 0.685 1 1 869 . 12 1 1 A 96 96 LYS CB C 96 35.190 33.302 1.888 1 1 873 . 12 1 1 A 96 96 LYS N N 96 115.613 116.937 -1.324 1 1 874 . 12 1 1 A 97 97 TRP H H 97 7.786 7.280 0.506 1 1 875 . 12 1 1 A 97 97 TRP HA H 97 4.390 4.439 -0.049 1 1 879 . 12 1 1 A 97 97 TRP C C 97 178.500 176.994 1.506 1 1 880 . 12 1 1 A 97 97 TRP CA C 97 60.831 58.030 2.801 1 1 881 . 12 1 1 A 97 97 TRP CB C 97 30.818 28.547 2.271 1 1 882 . 12 1 1 A 97 97 TRP N N 97 119.643 118.949 0.694 1 1 884 . 12 1 1 A 98 98 VAL H H 98 8.604 7.416 1.188 1 1 885 . 12 1 1 A 98 98 VAL HA H 98 3.542 3.817 -0.275 1 1 890 . 12 1 1 A 98 98 VAL CA C 98 68.434 65.169 3.265 1 1 891 . 12 1 1 A 98 98 VAL CB C 98 28.357 32.568 -4.211 1 1 892 . 12 1 1 A 98 98 VAL N N 98 116.894 118.704 -1.810 1 1 893 . 12 1 1 A 99 99 PRO HA H 99 3.932 4.133 -0.201 1 1 895 . 12 1 1 A 99 99 PRO C C 99 177.438 178.629 -1.191 1 1 896 . 12 1 1 A 99 99 PRO CA C 99 66.615 65.809 0.806 1 1 897 . 12 1 1 A 99 99 PRO CB C 99 30.600 30.657 -0.057 1 1 899 . 12 1 1 A 100 100 GLU H H 100 7.538 7.891 -0.353 1 1 900 . 12 1 1 A 100 100 GLU HA H 100 4.219 3.487 0.732 1 1 902 . 12 1 1 A 100 100 GLU C C 100 178.891 178.463 0.428 1 1 903 . 12 1 1 A 100 100 GLU CA C 100 60.795 59.068 1.727 1 1 904 . 12 1 1 A 100 100 GLU CB C 100 29.919 28.903 1.016 1 1 906 . 12 1 1 A 100 100 GLU N N 100 116.622 117.378 -0.756 1 1 907 . 12 1 1 A 101 101 ILE H H 101 8.331 7.333 0.998 1 1 908 . 12 1 1 A 101 101 ILE HA H 101 3.598 3.338 0.260 1 1 909 . 12 1 1 A 101 101 ILE C C 101 177.812 177.539 0.273 1 1 910 . 12 1 1 A 101 101 ILE CA C 101 66.106 62.725 3.381 1 1 911 . 12 1 1 A 101 101 ILE CB C 101 35.806 37.196 -1.390 1 1 913 . 12 1 1 A 101 101 ILE N N 101 113.806 120.094 -6.288 1 1 914 . 12 1 1 A 102 102 THR H H 102 7.881 7.728 0.153 1 1 915 . 12 1 1 A 102 102 THR HA H 102 3.849 3.850 -0.001 1 1 917 . 12 1 1 A 102 102 THR C C 102 175.953 176.934 -0.981 1 1 918 . 12 1 1 A 102 102 THR CA C 102 64.979 66.629 -1.650 1 1 919 . 12 1 1 A 102 102 THR CB C 102 69.609 68.398 1.211 1 1 920 . 12 1 1 A 102 102 THR N N 102 112.542 116.839 -4.297 1 1 921 . 12 1 1 A 103 103 HIS H H 103 7.598 7.938 -0.340 1 1 922 . 12 1 1 A 103 103 HIS HA H 103 4.217 4.194 0.023 1 1 924 . 12 1 1 A 103 103 HIS C C 103 176.414 177.978 -1.564 1 1 925 . 12 1 1 A 103 103 HIS CA C 103 58.531 59.348 -0.817 1 1 926 . 12 1 1 A 103 103 HIS CB C 103 28.397 30.042 -1.645 1 1 927 . 12 1 1 A 103 103 HIS N N 103 118.843 119.375 -0.532 1 1 928 . 12 1 1 A 104 104 HIS H H 104 7.405 7.497 -0.092 1 1 929 . 12 1 1 A 104 104 HIS HA H 104 4.164 4.410 -0.246 1 1 932 . 12 1 1 A 104 104 HIS C C 104 176.660 175.350 1.310 1 1 933 . 12 1 1 A 104 104 HIS CA C 104 59.641 58.591 1.050 1 1 934 . 12 1 1 A 104 104 HIS CB C 104 33.363 29.630 3.733 1 1 935 . 12 1 1 A 104 104 HIS N N 104 113.791 116.568 -2.777 1 1 936 . 12 1 1 A 105 105 CYS H H 105 8.530 7.631 0.899 1 1 937 . 12 1 1 A 105 105 CYS HA H 105 5.015 4.705 0.310 1 1 940 . 12 1 1 A 105 105 CYS CA C 105 56.219 58.550 -2.331 1 1 941 . 12 1 1 A 105 105 CYS N N 105 117.178 113.957 3.221 1 1 942 . 12 1 1 A 106 106 PRO HA H 106 4.477 4.494 -0.017 1 1 945 . 12 1 1 A 106 106 PRO C C 106 177.961 175.855 2.106 1 1 946 . 12 1 1 A 106 106 PRO CA C 106 64.735 64.724 0.011 1 1 947 . 12 1 1 A 106 106 PRO CB C 106 31.961 32.169 -0.208 1 1 949 . 12 1 1 A 107 107 LYS H H 107 8.769 7.711 1.058 1 1 950 . 12 1 1 A 107 107 LYS HA H 107 4.771 4.991 -0.220 1 1 955 . 12 1 1 A 107 107 LYS CA C 107 55.895 54.786 1.109 1 1 956 . 12 1 1 A 107 107 LYS CB C 107 31.160 36.056 -4.896 1 1 957 . 12 1 1 A 107 107 LYS N N 107 116.131 111.795 4.336 1 1 958 . 12 1 1 A 108 108 THR H H 108 7.586 8.720 -1.134 1 1 959 . 12 1 1 A 108 108 THR N N 108 121.415 112.918 8.497 1 1 960 . 12 1 1 A 109 109 PRO HA H 109 4.529 4.583 -0.054 1 1 963 . 12 1 1 A 109 109 PRO C C 109 174.846 175.703 -0.857 1 1 964 . 12 1 1 A 109 109 PRO CA C 109 62.495 62.706 -0.211 1 1 965 . 12 1 1 A 109 109 PRO CB C 109 33.563 31.946 1.617 1 1 968 . 12 1 1 A 110 110 PHE H H 110 8.165 8.745 -0.580 1 1 969 . 12 1 1 A 110 110 PHE HA H 110 5.929 5.203 0.726 1 1 971 . 12 1 1 A 110 110 PHE C C 110 172.666 174.521 -1.855 1 1 972 . 12 1 1 A 110 110 PHE CA C 110 54.448 56.233 -1.785 1 1 973 . 12 1 1 A 110 110 PHE CB C 110 43.554 41.994 1.560 1 1 974 . 12 1 1 A 110 110 PHE N N 110 112.128 124.188 -12.060 1 1 975 . 12 1 1 A 111 111 LEU H H 111 8.633 9.094 -0.461 1 1 976 . 12 1 1 A 111 111 LEU HA H 111 4.694 5.100 -0.406 1 1 979 . 12 1 1 A 111 111 LEU C C 111 175.472 175.546 -0.074 1 1 980 . 12 1 1 A 111 111 LEU CA C 111 54.212 53.446 0.766 1 1 981 . 12 1 1 A 111 111 LEU CB C 111 43.831 43.540 0.291 1 1 984 . 12 1 1 A 111 111 LEU N N 111 119.654 123.498 -3.844 1 1 985 . 12 1 1 A 112 112 LEU H H 112 8.061 8.995 -0.934 1 1 986 . 12 1 1 A 112 112 LEU HA H 112 5.363 5.157 0.206 1 1 992 . 12 1 1 A 112 112 LEU C C 112 173.631 176.236 -2.605 1 1 993 . 12 1 1 A 112 112 LEU CA C 112 53.826 53.231 0.595 1 1 994 . 12 1 1 A 112 112 LEU CB C 112 44.182 43.328 0.854 1 1 996 . 12 1 1 A 112 112 LEU N N 112 121.946 125.509 -3.563 1 1 997 . 12 1 1 A 113 113 VAL H H 113 9.178 9.594 -0.416 1 1 998 . 12 1 1 A 113 113 VAL HA H 113 4.878 4.773 0.105 1 1 1006 . 12 1 1 A 113 113 VAL C C 113 174.300 174.928 -0.628 1 1 1007 . 12 1 1 A 113 113 VAL CA C 113 59.695 60.623 -0.928 1 1 1008 . 12 1 1 A 113 113 VAL CB C 113 33.323 34.892 -1.569 1 1 1011 . 12 1 1 A 113 113 VAL N N 113 125.807 125.902 -0.095 1 1 1012 . 12 1 1 A 114 114 GLY H H 114 8.731 9.260 -0.529 1 1 1013 . 12 1 1 A 114 114 GLY HA2 H 114 3.688 3.556 0.132 1 1 1014 . 12 1 1 A 114 114 GLY HA3 H 114 3.270 3.975 -0.705 1 1 1015 . 12 1 1 A 114 114 GLY C C 114 173.360 171.705 1.655 1 1 1016 . 12 1 1 A 114 114 GLY CA C 114 44.195 44.504 -0.309 1 1 1017 . 12 1 1 A 114 114 GLY N N 114 115.079 114.957 0.122 1 1 1018 . 12 1 1 A 115 115 THR H H 115 9.181 8.163 1.018 1 1 1019 . 12 1 1 A 115 115 THR HA H 115 4.969 5.097 -0.128 1 1 1024 . 12 1 1 A 115 115 THR C C 115 175.355 173.701 1.654 1 1 1025 . 12 1 1 A 115 115 THR CA C 115 59.375 59.109 0.266 1 1 1026 . 12 1 1 A 115 115 THR CB C 115 70.530 71.523 -0.993 1 1 1028 . 12 1 1 A 115 115 THR N N 115 115.613 118.029 -2.416 1 1 1029 . 12 1 1 A 116 116 GLN H H 116 9.380 8.755 0.625 1 1 1030 . 12 1 1 A 116 116 GLN HA H 116 3.983 3.862 0.121 1 1 1033 . 12 1 1 A 116 116 GLN C C 116 179.110 176.620 2.490 1 1 1034 . 12 1 1 A 116 116 GLN CA C 116 56.195 56.531 -0.336 1 1 1035 . 12 1 1 A 116 116 GLN CB C 116 23.911 26.186 -2.275 1 1 1037 . 12 1 1 A 116 116 GLN N N 116 108.468 122.342 -13.874 1 1 1038 . 12 1 1 A 117 117 ILE H H 117 7.635 7.839 -0.204 1 1 1039 . 12 1 1 A 117 117 ILE HA H 117 3.814 3.903 -0.089 1 1 1042 . 12 1 1 A 117 117 ILE C C 117 178.002 176.454 1.548 1 1 1043 . 12 1 1 A 117 117 ILE CA C 117 64.828 63.184 1.644 1 1 1044 . 12 1 1 A 117 117 ILE CB C 117 36.327 37.561 -1.234 1 1 1047 . 12 1 1 A 118 118 ASP H H 118 8.732 8.599 0.133 1 1 1048 . 12 1 1 A 118 118 ASP HA H 118 4.468 4.423 0.045 1 1 1051 . 12 1 1 A 118 118 ASP C C 118 176.888 177.991 -1.103 1 1 1052 . 12 1 1 A 118 118 ASP CA C 118 55.527 55.194 0.333 1 1 1053 . 12 1 1 A 118 118 ASP CB C 118 40.482 39.950 0.532 1 1 1054 . 12 1 1 A 118 118 ASP N N 118 119.049 123.802 -4.753 1 1 1055 . 12 1 1 A 119 119 LEU H H 119 7.914 7.706 0.208 1 1 1056 . 12 1 1 A 119 119 LEU HA H 119 4.332 4.106 0.226 1 1 1066 . 12 1 1 A 119 119 LEU C C 119 178.015 177.263 0.752 1 1 1067 . 12 1 1 A 119 119 LEU CA C 119 55.388 56.944 -1.556 1 1 1068 . 12 1 1 A 119 119 LEU CB C 119 41.573 41.922 -0.349 1 1 1071 . 12 1 1 A 119 119 LEU N N 119 117.783 121.420 -3.637 1 1 1072 . 12 1 1 A 120 120 ARG H H 120 7.256 7.798 -0.542 1 1 1073 . 12 1 1 A 120 120 ARG HA H 120 3.561 4.376 -0.815 1 1 1076 . 12 1 1 A 120 120 ARG C C 120 174.671 175.333 -0.662 1 1 1077 . 12 1 1 A 120 120 ARG CA C 120 60.041 55.675 4.366 1 1 1078 . 12 1 1 A 120 120 ARG CB C 120 30.079 29.769 0.310 1 1 1081 . 12 1 1 A 120 120 ARG N N 120 116.747 119.697 -2.950 1 1 1082 . 12 1 1 A 121 121 ASP H H 121 7.078 8.310 -1.232 1 1 1083 . 12 1 1 A 121 121 ASP HA H 121 4.802 4.735 0.067 1 1 1086 . 12 1 1 A 121 121 ASP C C 121 175.364 175.845 -0.481 1 1 1087 . 12 1 1 A 121 121 ASP CA C 121 52.775 54.796 -2.021 1 1 1088 . 12 1 1 A 121 121 ASP CB C 121 41.372 42.580 -1.208 1 1 1089 . 12 1 1 A 121 121 ASP N N 121 111.544 124.505 -12.961 1 1 1090 . 12 1 1 A 122 122 ASP H H 122 7.246 8.156 -0.910 1 1 1091 . 12 1 1 A 122 122 ASP HA H 122 4.983 4.758 0.225 1 1 1094 . 12 1 1 A 122 122 ASP CA C 122 51.575 52.766 -1.191 1 1 1095 . 12 1 1 A 122 122 ASP CB C 122 43.576 40.269 3.307 1 1 1096 . 12 1 1 A 122 122 ASP N N 122 122.169 120.185 1.984 1 1 1097 . 12 1 1 A 123 123 PRO HA H 123 4.132 4.373 -0.241 1 1 1100 . 12 1 1 A 123 123 PRO C C 123 178.982 178.291 0.691 1 1 1101 . 12 1 1 A 123 123 PRO CA C 123 65.824 64.671 1.153 1 1 1102 . 12 1 1 A 123 123 PRO CB C 123 32.041 32.111 -0.070 1 1 1104 . 12 1 1 A 124 124 SER H H 124 8.333 8.465 -0.132 1 1 1105 . 12 1 1 A 124 124 SER HA H 124 4.762 4.172 0.590 1 1 1108 . 12 1 1 A 124 124 SER C C 124 176.716 176.251 0.465 1 1 1109 . 12 1 1 A 124 124 SER CA C 124 62.073 61.421 0.652 1 1 1110 . 12 1 1 A 124 124 SER CB C 124 62.373 62.991 -0.618 1 1 1111 . 12 1 1 A 124 124 SER N N 124 112.482 113.854 -1.372 1 1 1112 . 12 1 1 A 125 125 THR H H 125 7.921 8.096 -0.175 1 1 1113 . 12 1 1 A 125 125 THR HA H 125 4.658 4.031 0.627 1 1 1118 . 12 1 1 A 125 125 THR C C 125 175.789 176.562 -0.773 1 1 1119 . 12 1 1 A 125 125 THR CA C 125 67.686 65.432 2.254 1 1 1121 . 12 1 1 A 125 125 THR N N 125 121.820 114.157 7.663 1 1 1122 . 12 1 1 A 126 126 ILE H H 126 8.234 7.702 0.532 1 1 1123 . 12 1 1 A 126 126 ILE HA H 126 3.550 3.751 -0.201 1 1 1126 . 12 1 1 A 126 126 ILE C C 126 179.057 177.609 1.448 1 1 1127 . 12 1 1 A 126 126 ILE CA C 126 65.032 63.118 1.914 1 1 1128 . 12 1 1 A 126 126 ILE CB C 126 37.064 37.349 -0.285 1 1 1132 . 12 1 1 A 126 126 ILE N N 126 121.486 124.039 -2.553 1 1 1133 . 12 1 1 A 127 127 GLU H H 127 8.240 8.235 0.005 1 1 1134 . 12 1 1 A 127 127 GLU HA H 127 4.165 4.000 0.165 1 1 1136 . 12 1 1 A 127 127 GLU C C 127 177.025 179.679 -2.654 1 1 1137 . 12 1 1 A 127 127 GLU CA C 127 59.326 59.671 -0.345 1 1 1138 . 12 1 1 A 127 127 GLU CB C 127 29.330 29.418 -0.088 1 1 1140 . 12 1 1 A 127 127 GLU N N 127 120.249 122.407 -2.158 1 1 1141 . 12 1 1 A 128 128 LYS H H 128 7.919 7.385 0.534 1 1 1142 . 12 1 1 A 128 128 LYS HA H 128 3.978 4.029 -0.051 1 1 1146 . 12 1 1 A 128 128 LYS C C 128 179.838 179.360 0.478 1 1 1147 . 12 1 1 A 128 128 LYS CA C 128 59.938 59.520 0.418 1 1 1148 . 12 1 1 A 128 128 LYS CB C 128 31.691 32.382 -0.691 1 1 1152 . 12 1 1 A 128 128 LYS N N 128 120.679 119.432 1.247 1 1 1153 . 12 1 1 A 129 129 LEU H H 129 8.142 8.121 0.021 1 1 1154 . 12 1 1 A 129 129 LEU HA H 129 4.128 4.155 -0.027 1 1 1160 . 12 1 1 A 129 129 LEU C C 129 179.701 178.959 0.742 1 1 1161 . 12 1 1 A 129 129 LEU CA C 129 57.904 57.622 0.282 1 1 1162 . 12 1 1 A 129 129 LEU CB C 129 41.674 41.087 0.587 1 1 1165 . 12 1 1 A 129 129 LEU N N 129 118.553 119.762 -1.209 1 1 1166 . 12 1 1 A 130 130 ALA H H 130 8.493 8.578 -0.085 1 1 1167 . 12 1 1 A 130 130 ALA HA H 130 4.286 3.917 0.369 1 1 1171 . 12 1 1 A 130 130 ALA C C 130 182.027 179.950 2.077 1 1 1172 . 12 1 1 A 130 130 ALA CA C 130 55.358 55.375 -0.017 1 1 1173 . 12 1 1 A 130 130 ALA CB C 130 17.069 18.319 -1.250 1 1 1174 . 12 1 1 A 130 130 ALA N N 130 122.578 121.411 1.167 1 1 1175 . 12 1 1 A 131 131 LYS H H 131 8.065 7.708 0.357 1 1 1176 . 12 1 1 A 131 131 LYS HA H 131 4.124 4.051 0.073 1 1 1180 . 12 1 1 A 131 131 LYS C C 131 177.085 178.454 -1.369 1 1 1181 . 12 1 1 A 131 131 LYS CA C 131 59.093 59.410 -0.317 1 1 1182 . 12 1 1 A 131 131 LYS CB C 131 31.782 32.262 -0.480 1 1 1186 . 12 1 1 A 131 131 LYS N N 131 120.347 117.890 2.457 1 1 1187 . 12 1 1 A 132 132 ASN H H 132 7.414 8.131 -0.717 1 1 1188 . 12 1 1 A 132 132 ASN HA H 132 4.983 4.817 0.166 1 1 1193 . 12 1 1 A 132 132 ASN C C 132 173.584 174.170 -0.586 1 1 1194 . 12 1 1 A 132 132 ASN CA C 132 52.195 52.860 -0.665 1 1 1195 . 12 1 1 A 132 132 ASN CB C 132 39.210 38.677 0.533 1 1 1196 . 12 1 1 A 132 132 ASN N N 132 115.667 115.131 0.536 1 1 1198 . 12 1 1 A 133 133 LYS H H 133 8.105 8.078 0.027 1 1 1199 . 12 1 1 A 133 133 LYS HA H 133 3.956 3.761 0.195 1 1 1204 . 12 1 1 A 133 133 LYS C C 133 175.311 174.554 0.757 1 1 1205 . 12 1 1 A 133 133 LYS CA C 133 57.317 57.321 -0.004 1 1 1206 . 12 1 1 A 133 133 LYS CB C 133 28.397 29.099 -0.702 1 1 1210 . 12 1 1 A 133 133 LYS N N 133 113.900 115.769 -1.869 1 1 1211 . 12 1 1 A 134 134 GLN H H 134 8.107 7.108 0.999 1 1 1212 . 12 1 1 A 134 134 GLN HA H 134 4.777 4.824 -0.047 1 1 1218 . 12 1 1 A 134 134 GLN C C 134 174.870 174.611 0.259 1 1 1219 . 12 1 1 A 134 134 GLN CA C 134 53.890 54.646 -0.756 1 1 1220 . 12 1 1 A 134 134 GLN CB C 134 33.095 31.856 1.239 1 1 1222 . 12 1 1 A 134 134 GLN N N 134 116.006 116.657 -0.651 1 1 1224 . 12 1 1 A 135 135 LYS H H 135 7.974 8.689 -0.715 1 1 1225 . 12 1 1 A 135 135 LYS CA C 135 54.077 53.068 1.009 1 1 1226 . 12 1 1 A 135 135 LYS CB C 135 33.433 33.761 -0.328 1 1 1227 . 12 1 1 A 135 135 LYS N N 135 118.646 122.986 -4.340 1 1 1228 . 12 1 1 A 136 136 PRO HA H 136 4.378 4.427 -0.049 1 1 1232 . 12 1 1 A 136 136 PRO C C 136 174.976 176.125 -1.149 1 1 1233 . 12 1 1 A 136 136 PRO CA C 136 62.255 62.830 -0.575 1 1 1234 . 12 1 1 A 136 136 PRO CB C 136 32.147 32.420 -0.273 1 1 1237 . 12 1 1 A 137 137 ILE H H 137 9.147 7.909 1.238 1 1 1238 . 12 1 1 A 137 137 ILE HA H 137 3.918 4.449 -0.531 1 1 1245 . 12 1 1 A 137 137 ILE C C 137 176.126 175.353 0.773 1 1 1246 . 12 1 1 A 137 137 ILE CA C 137 59.969 60.252 -0.283 1 1 1247 . 12 1 1 A 137 137 ILE CB C 137 36.848 39.947 -3.099 1 1 1248 . 12 1 1 A 137 137 ILE N N 137 122.234 121.965 0.269 1 1 1249 . 12 1 1 A 138 138 THR H H 138 7.993 8.784 -0.791 1 1 1250 . 12 1 1 A 138 138 THR HA H 138 4.765 4.943 -0.178 1 1 1255 . 12 1 1 A 138 138 THR CA C 138 59.171 59.294 -0.123 1 1 1256 . 12 1 1 A 138 138 THR CB C 138 68.488 69.401 -0.913 1 1 1257 . 12 1 1 A 138 138 THR N N 138 118.389 120.616 -2.227 1 1 1258 . 12 1 1 A 139 139 PRO HA H 139 4.071 4.376 -0.305 1 1 1261 . 12 1 1 A 139 139 PRO C C 139 177.838 177.610 0.228 1 1 1262 . 12 1 1 A 139 139 PRO CA C 139 65.575 65.016 0.559 1 1 1263 . 12 1 1 A 139 139 PRO CB C 139 31.401 31.970 -0.569 1 1 1265 . 12 1 1 A 140 140 GLU H H 140 8.569 8.358 0.211 1 1 1266 . 12 1 1 A 140 140 GLU HA H 140 3.000 4.059 -1.059 1 1 1270 . 12 1 1 A 140 140 GLU C C 140 179.357 179.027 0.330 1 1 1271 . 12 1 1 A 140 140 GLU CA C 140 60.137 59.610 0.527 1 1 1272 . 12 1 1 A 140 140 GLU CB C 140 28.357 29.205 -0.848 1 1 1273 . 12 1 1 A 140 140 GLU N N 140 114.648 118.164 -3.516 1 1 1274 . 12 1 1 A 141 141 THR H H 141 7.579 7.768 -0.189 1 1 1275 . 12 1 1 A 141 141 THR HA H 141 3.811 3.840 -0.029 1 1 1280 . 12 1 1 A 141 141 THR C C 141 176.395 176.239 0.156 1 1 1281 . 12 1 1 A 141 141 THR CA C 141 66.113 66.120 -0.007 1 1 1282 . 12 1 1 A 141 141 THR CB C 141 68.569 68.350 0.219 1 1 1284 . 12 1 1 A 141 141 THR N N 141 118.215 117.251 0.964 1 1 1285 . 12 1 1 A 142 142 ALA H H 142 7.562 8.120 -0.558 1 1 1286 . 12 1 1 A 142 142 ALA HA H 142 3.866 4.156 -0.290 1 1 1290 . 12 1 1 A 142 142 ALA C C 142 178.302 179.648 -1.346 1 1 1291 . 12 1 1 A 142 142 ALA CA C 142 55.332 55.113 0.219 1 1 1292 . 12 1 1 A 142 142 ALA CB C 142 16.606 18.140 -1.534 1 1 1293 . 12 1 1 A 142 142 ALA N N 142 125.491 123.416 2.075 1 1 1294 . 12 1 1 A 143 143 GLU H H 143 8.787 7.967 0.820 1 1 1295 . 12 1 1 A 143 143 GLU HA H 143 3.742 3.922 -0.180 1 1 1298 . 12 1 1 A 143 143 GLU C C 143 179.077 178.802 0.275 1 1 1299 . 12 1 1 A 143 143 GLU CA C 143 59.590 59.022 0.568 1 1 1300 . 12 1 1 A 143 143 GLU CB C 143 28.998 29.186 -0.188 1 1 1302 . 12 1 1 A 143 143 GLU N N 143 117.991 118.750 -0.759 1 1 1303 . 12 1 1 A 144 144 LYS H H 144 7.313 7.446 -0.133 1 1 1304 . 12 1 1 A 144 144 LYS HA H 144 3.950 4.035 -0.085 1 1 1307 . 12 1 1 A 144 144 LYS C C 144 177.781 179.239 -1.458 1 1 1308 . 12 1 1 A 144 144 LYS CA C 144 59.370 59.545 -0.175 1 1 1309 . 12 1 1 A 144 144 LYS CB C 144 31.718 32.418 -0.700 1 1 1313 . 12 1 1 A 144 144 LYS N N 144 118.815 119.536 -0.721 1 1 1314 . 12 1 1 A 145 145 LEU H H 145 7.326 7.743 -0.417 1 1 1315 . 12 1 1 A 145 145 LEU HA H 145 4.153 4.054 0.099 1 1 1324 . 12 1 1 A 145 145 LEU C C 145 178.162 178.410 -0.248 1 1 1325 . 12 1 1 A 145 145 LEU CA C 145 57.834 57.711 0.123 1 1 1326 . 12 1 1 A 145 145 LEU CB C 145 40.432 41.370 -0.938 1 1 1329 . 12 1 1 A 145 145 LEU N N 145 119.589 121.525 -1.936 1 1 1330 . 12 1 1 A 146 146 ALA H H 146 8.482 7.426 1.056 1 1 1331 . 12 1 1 A 146 146 ALA HA H 146 3.705 4.165 -0.460 1 1 1335 . 12 1 1 A 146 146 ALA C C 146 178.574 179.758 -1.184 1 1 1336 . 12 1 1 A 146 146 ALA CA C 146 55.543 55.197 0.346 1 1 1337 . 12 1 1 A 146 146 ALA CB C 146 17.663 18.807 -1.144 1 1 1338 . 12 1 1 A 146 146 ALA N N 146 118.809 121.135 -2.326 1 1 1339 . 12 1 1 A 147 147 ARG H H 147 7.714 8.000 -0.286 1 1 1340 . 12 1 1 A 147 147 ARG HA H 147 4.175 4.189 -0.014 1 1 1344 . 12 1 1 A 147 147 ARG C C 147 180.165 177.471 2.694 1 1 1345 . 12 1 1 A 147 147 ARG CA C 147 58.995 58.244 0.751 1 1 1346 . 12 1 1 A 147 147 ARG CB C 147 29.657 30.141 -0.484 1 1 1349 . 12 1 1 A 147 147 ARG N N 147 116.011 118.880 -2.869 1 1 1350 . 12 1 1 A 148 148 ASP H H 148 8.461 8.290 0.171 1 1 1351 . 12 1 1 A 148 148 ASP HA H 148 4.324 4.927 -0.603 1 1 1354 . 12 1 1 A 148 148 ASP C C 148 178.284 177.361 0.923 1 1 1355 . 12 1 1 A 148 148 ASP CA C 148 57.501 54.783 2.718 1 1 1356 . 12 1 1 A 148 148 ASP CB C 148 40.172 42.472 -2.300 1 1 1357 . 12 1 1 A 148 148 ASP N N 148 121.913 118.815 3.098 1 1 1358 . 12 1 1 A 149 149 LEU H H 149 8.364 7.217 1.147 1 1 1359 . 12 1 1 A 149 149 LEU HA H 149 4.365 4.349 0.016 1 1 1368 . 12 1 1 A 149 149 LEU C C 149 174.985 175.924 -0.939 1 1 1369 . 12 1 1 A 149 149 LEU CA C 149 54.315 54.504 -0.189 1 1 1370 . 12 1 1 A 149 149 LEU CB C 149 41.373 42.009 -0.636 1 1 1373 . 12 1 1 A 149 149 LEU N N 149 115.324 117.182 -1.858 1 1 1374 . 12 1 1 A 150 150 LYS H H 150 7.624 7.938 -0.314 1 1 1375 . 12 1 1 A 150 150 LYS HA H 150 3.783 3.848 -0.065 1 1 1379 . 12 1 1 A 150 150 LYS C C 150 177.003 175.233 1.770 1 1 1380 . 12 1 1 A 150 150 LYS CA C 150 57.457 57.332 0.125 1 1 1381 . 12 1 1 A 150 150 LYS CB C 150 27.730 29.578 -1.848 1 1 1385 . 12 1 1 A 150 150 LYS N N 150 111.768 116.317 -4.549 1 1 1386 . 12 1 1 A 151 151 ALA H H 151 8.248 6.915 1.333 1 1 1387 . 12 1 1 A 151 151 ALA HA H 151 2.979 4.556 -1.577 1 1 1391 . 12 1 1 A 151 151 ALA C C 151 177.944 176.080 1.864 1 1 1392 . 12 1 1 A 151 151 ALA CA C 151 51.231 51.421 -0.190 1 1 1393 . 12 1 1 A 151 151 ALA CB C 151 19.707 21.088 -1.381 1 1 1394 . 12 1 1 A 151 151 ALA N N 151 119.649 117.727 1.922 1 1 1395 . 12 1 1 A 152 152 VAL H H 152 8.684 8.655 0.029 1 1 1396 . 12 1 1 A 152 152 VAL HA H 152 3.478 4.402 -0.924 1 1 1404 . 12 1 1 A 152 152 VAL C C 152 176.367 174.621 1.746 1 1 1405 . 12 1 1 A 152 152 VAL CA C 152 66.127 63.183 2.944 1 1 1406 . 12 1 1 A 152 152 VAL CB C 152 32.285 30.996 1.289 1 1 1409 . 12 1 1 A 152 152 VAL N N 152 120.805 115.419 5.386 1 1 1410 . 12 1 1 A 153 153 LYS H H 153 6.865 9.096 -2.231 1 1 1411 . 12 1 1 A 153 153 LYS HA H 153 4.344 5.147 -0.803 1 1 1416 . 12 1 1 A 153 153 LYS C C 153 172.951 174.976 -2.025 1 1 1417 . 12 1 1 A 153 153 LYS CA C 153 55.049 54.471 0.578 1 1 1418 . 12 1 1 A 153 153 LYS CB C 153 34.332 36.413 -2.081 1 1 1422 . 12 1 1 A 153 153 LYS N N 153 108.179 126.485 -18.306 1 1 1423 . 12 1 1 A 154 154 TYR H H 154 8.606 8.854 -0.248 1 1 1424 . 12 1 1 A 154 154 TYR HA H 154 5.761 6.247 -0.486 1 1 1426 . 12 1 1 A 154 154 TYR C C 154 174.216 174.419 -0.203 1 1 1427 . 12 1 1 A 154 154 TYR CA C 154 55.910 55.113 0.797 1 1 1428 . 12 1 1 A 154 154 TYR CB C 154 40.457 42.329 -1.872 1 1 1429 . 12 1 1 A 154 154 TYR N N 154 120.249 119.055 1.194 1 1 1430 . 12 1 1 A 155 155 VAL H H 155 8.271 8.870 -0.599 1 1 1431 . 12 1 1 A 155 155 VAL HA H 155 4.138 4.502 -0.364 1 1 1439 . 12 1 1 A 155 155 VAL C C 155 171.653 174.437 -2.784 1 1 1440 . 12 1 1 A 155 155 VAL CA C 155 58.344 60.123 -1.779 1 1 1441 . 12 1 1 A 155 155 VAL CB C 155 34.645 35.596 -0.951 1 1 1444 . 12 1 1 A 155 155 VAL N N 155 121.448 121.340 0.108 1 1 1445 . 12 1 1 A 156 156 GLU H H 156 8.030 8.681 -0.651 1 1 1446 . 12 1 1 A 156 156 GLU HA H 156 5.393 4.901 0.492 1 1 1449 . 12 1 1 A 156 156 GLU C C 156 175.890 175.422 0.468 1 1 1450 . 12 1 1 A 156 156 GLU CA C 156 53.775 55.408 -1.633 1 1 1451 . 12 1 1 A 156 156 GLU CB C 156 31.521 31.111 0.410 1 1 1453 . 12 1 1 A 156 156 GLU N N 156 113.147 125.279 -12.132 1 1 1454 . 12 1 1 A 157 157 CYS H H 157 8.838 9.474 -0.636 1 1 1455 . 12 1 1 A 157 157 CYS HA H 157 5.324 5.302 0.022 1 1 1458 . 12 1 1 A 157 157 CYS C C 157 171.554 172.552 -0.998 1 1 1459 . 12 1 1 A 157 157 CYS CA C 157 55.749 57.497 -1.748 1 1 1460 . 12 1 1 A 157 157 CYS CB C 157 32.041 31.047 0.994 1 1 1461 . 12 1 1 A 157 157 CYS N N 157 111.910 123.825 -11.915 1 1 1462 . 12 1 1 A 158 158 SER H H 158 8.277 8.817 -0.540 1 1 1463 . 12 1 1 A 158 158 SER HA H 158 5.211 4.799 0.412 1 1 1466 . 12 1 1 A 158 158 SER C C 158 176.246 174.864 1.382 1 1 1467 . 12 1 1 A 158 158 SER CA C 158 55.892 56.431 -0.539 1 1 1468 . 12 1 1 A 158 158 SER CB C 158 65.035 64.209 0.826 1 1 1469 . 12 1 1 A 158 158 SER N N 158 110.284 120.210 -9.926 1 1 1470 . 12 1 1 A 159 159 ALA H H 159 9.297 8.799 0.498 1 1 1471 . 12 1 1 A 159 159 ALA HA H 159 4.210 3.584 0.626 1 1 1475 . 12 1 1 A 159 159 ALA C C 159 177.030 179.220 -2.190 1 1 1476 . 12 1 1 A 159 159 ALA CA C 159 54.522 54.452 0.070 1 1 1477 . 12 1 1 A 159 159 ALA CB C 159 18.828 18.251 0.577 1 1 1478 . 12 1 1 A 159 159 ALA N N 159 132.318 130.123 2.195 1 1 1479 . 12 1 1 A 160 160 LEU H H 160 7.361 7.492 -0.131 1 1 1480 . 12 1 1 A 160 160 LEU HA H 160 3.307 4.205 -0.898 1 1 1485 . 12 1 1 A 160 160 LEU C C 160 177.619 176.587 1.032 1 1 1486 . 12 1 1 A 160 160 LEU CA C 160 57.497 56.805 0.692 1 1 1487 . 12 1 1 A 160 160 LEU CB C 160 43.255 42.602 0.653 1 1 1490 . 12 1 1 A 160 160 LEU N N 160 118.308 116.596 1.712 1 1 1491 . 12 1 1 A 161 161 THR H H 161 8.109 7.650 0.459 1 1 1492 . 12 1 1 A 161 161 THR HA H 161 4.218 4.986 -0.768 1 1 1497 . 12 1 1 A 161 161 THR C C 161 176.064 174.876 1.188 1 1 1498 . 12 1 1 A 161 161 THR CA C 161 61.435 60.939 0.496 1 1 1499 . 12 1 1 A 161 161 THR CB C 161 69.809 71.367 -1.558 1 1 1501 . 12 1 1 A 161 161 THR N N 161 106.273 111.589 -5.316 1 1 1502 . 12 1 1 A 162 162 GLN H H 162 7.457 9.003 -1.546 1 1 1503 . 12 1 1 A 162 162 GLN HA H 162 3.923 4.511 -0.588 1 1 1509 . 12 1 1 A 162 162 GLN C C 162 174.988 176.830 -1.842 1 1 1510 . 12 1 1 A 162 162 GLN CA C 162 59.015 57.718 1.297 1 1 1511 . 12 1 1 A 162 162 GLN CB C 162 25.425 28.390 -2.965 1 1 1513 . 12 1 1 A 162 162 GLN N N 162 112.744 123.433 -10.689 1 1 1515 . 12 1 1 A 163 163 LYS H H 163 7.831 7.793 0.038 1 1 1516 . 12 1 1 A 163 163 LYS HA H 163 4.163 4.385 -0.222 1 1 1519 . 12 1 1 A 163 163 LYS C C 163 177.322 177.312 0.010 1 1 1520 . 12 1 1 A 163 163 LYS CA C 163 58.055 56.717 1.338 1 1 1521 . 12 1 1 A 163 163 LYS CB C 163 32.041 32.376 -0.335 1 1 1525 . 12 1 1 A 163 163 LYS N N 163 124.132 118.500 5.632 1 1 1526 . 12 1 1 A 164 164 GLY H H 164 9.133 7.747 1.386 1 1 1527 . 12 1 1 A 164 164 GLY HA2 H 164 4.293 3.682 0.611 1 1 1528 . 12 1 1 A 164 164 GLY HA3 H 164 3.860 3.739 0.121 1 1 1529 . 12 1 1 A 164 164 GLY C C 164 174.825 175.340 -0.515 1 1 1530 . 12 1 1 A 164 164 GLY CA C 164 46.375 46.700 -0.325 1 1 1531 . 12 1 1 A 164 164 GLY N N 164 114.473 108.637 5.836 1 1 1532 . 12 1 1 A 165 165 LEU H H 165 7.400 8.377 -0.977 1 1 1533 . 12 1 1 A 165 165 LEU HA H 165 3.792 4.134 -0.342 1 1 1538 . 12 1 1 A 165 165 LEU C C 165 176.722 179.548 -2.826 1 1 1539 . 12 1 1 A 165 165 LEU CA C 165 58.737 57.857 0.880 1 1 1540 . 12 1 1 A 165 165 LEU CB C 165 43.498 41.569 1.929 1 1 1543 . 12 1 1 A 165 165 LEU N N 165 121.187 122.171 -0.984 1 1 1544 . 12 1 1 A 166 166 LYS H H 166 8.580 8.135 0.445 1 1 1545 . 12 1 1 A 166 166 LYS HA H 166 4.151 4.042 0.109 1 1 1548 . 12 1 1 A 166 166 LYS C C 166 179.204 179.207 -0.003 1 1 1549 . 12 1 1 A 166 166 LYS CA C 166 60.208 59.651 0.557 1 1 1550 . 12 1 1 A 166 166 LYS CB C 166 31.801 32.172 -0.371 1 1 1554 . 12 1 1 A 166 166 LYS N N 166 116.769 117.732 -0.963 1 1 1555 . 12 1 1 A 167 167 ASN H H 167 8.125 7.937 0.188 1 1 1556 . 12 1 1 A 167 167 ASN HA H 167 4.349 4.739 -0.390 1 1 1559 . 12 1 1 A 167 167 ASN C C 167 175.612 177.852 -2.240 1 1 1560 . 12 1 1 A 167 167 ASN CA C 167 56.686 55.455 1.231 1 1 1561 . 12 1 1 A 167 167 ASN CB C 167 38.650 38.713 -0.063 1 1 1562 . 12 1 1 A 167 167 ASN N N 167 114.773 117.465 -2.692 1 1 1563 . 12 1 1 A 168 168 VAL H H 168 7.365 8.115 -0.750 1 1 1564 . 12 1 1 A 168 168 VAL HA H 168 2.910 3.578 -0.668 1 1 1569 . 12 1 1 A 168 168 VAL C C 168 175.770 178.371 -2.601 1 1 1570 . 12 1 1 A 168 168 VAL CA C 168 67.103 66.253 0.850 1 1 1571 . 12 1 1 A 168 168 VAL CB C 168 30.845 31.473 -0.628 1 1 1574 . 12 1 1 A 168 168 VAL N N 168 117.042 120.200 -3.158 1 1 1575 . 12 1 1 A 169 169 PHE H H 169 6.368 8.812 -2.444 1 1 1576 . 12 1 1 A 169 169 PHE HA H 169 3.751 4.146 -0.395 1 1 1579 . 12 1 1 A 169 169 PHE C C 169 178.202 176.865 1.337 1 1 1580 . 12 1 1 A 169 169 PHE CA C 169 61.975 61.708 0.267 1 1 1581 . 12 1 1 A 169 169 PHE CB C 169 38.990 39.212 -0.222 1 1 1582 . 12 1 1 A 169 169 PHE N N 169 113.983 120.714 -6.731 1 1 1583 . 12 1 1 A 170 170 ASP H H 170 7.906 8.070 -0.164 1 1 1584 . 12 1 1 A 170 170 ASP HA H 170 4.338 4.322 0.016 1 1 1586 . 12 1 1 A 170 170 ASP C C 170 178.596 178.719 -0.123 1 1 1587 . 12 1 1 A 170 170 ASP CA C 170 57.540 58.091 -0.551 1 1 1588 . 12 1 1 A 170 170 ASP CB C 170 39.481 41.687 -2.206 1 1 1589 . 12 1 1 A 170 170 ASP N N 170 120.793 119.272 1.521 1 1 1590 . 12 1 1 A 171 171 GLU H H 171 8.048 8.088 -0.040 1 1 1591 . 12 1 1 A 171 171 GLU HA H 171 3.989 3.951 0.038 1 1 1594 . 12 1 1 A 171 171 GLU C C 171 179.405 178.045 1.360 1 1 1595 . 12 1 1 A 171 171 GLU CA C 171 58.130 59.437 -1.307 1 1 1596 . 12 1 1 A 171 171 GLU CB C 171 27.546 29.529 -1.983 1 1 1598 . 12 1 1 A 171 171 GLU N N 171 115.893 119.177 -3.284 1 1 1599 . 12 1 1 A 172 172 ALA H H 172 7.937 8.106 -0.169 1 1 1600 . 12 1 1 A 172 172 ALA HA H 172 3.759 3.972 -0.213 1 1 1604 . 12 1 1 A 172 172 ALA C C 172 177.968 180.283 -2.315 1 1 1605 . 12 1 1 A 172 172 ALA CA C 172 55.395 54.997 0.398 1 1 1606 . 12 1 1 A 172 172 ALA CB C 172 17.084 18.299 -1.215 1 1 1607 . 12 1 1 A 172 172 ALA N N 172 123.733 121.895 1.838 1 1 1608 . 12 1 1 A 173 173 ILE H H 173 7.645 7.287 0.358 1 1 1609 . 12 1 1 A 173 173 ILE HA H 173 3.314 3.578 -0.264 1 1 1615 . 12 1 1 A 173 173 ILE C C 173 177.082 177.629 -0.547 1 1 1616 . 12 1 1 A 173 173 ILE CA C 173 65.755 64.511 1.244 1 1 1617 . 12 1 1 A 173 173 ILE CB C 173 37.448 37.386 0.062 1 1 1621 . 12 1 1 A 173 173 ILE N N 173 116.213 119.334 -3.121 1 1 1622 . 12 1 1 A 174 174 LEU H H 174 7.703 7.598 0.105 1 1 1623 . 12 1 1 A 174 174 LEU HA H 174 3.760 3.932 -0.172 1 1 1629 . 12 1 1 A 174 174 LEU C C 174 179.847 178.130 1.717 1 1 1630 . 12 1 1 A 174 174 LEU CA C 174 58.049 58.160 -0.111 1 1 1631 . 12 1 1 A 174 174 LEU CB C 174 40.973 41.475 -0.502 1 1 1634 . 12 1 1 A 174 174 LEU N N 174 116.496 121.631 -5.135 1 1 1635 . 12 1 1 A 175 175 ALA H H 175 7.927 7.856 0.071 1 1 1636 . 12 1 1 A 175 175 ALA HA H 175 4.057 3.924 0.133 1 1 1640 . 12 1 1 A 175 175 ALA C C 175 178.605 179.591 -0.986 1 1 1641 . 12 1 1 A 175 175 ALA CA C 175 54.004 55.165 -1.161 1 1 1642 . 12 1 1 A 175 175 ALA CB C 175 18.464 18.187 0.277 1 1 1643 . 12 1 1 A 175 175 ALA N N 175 118.760 120.407 -1.647 1 1 1644 . 12 1 1 A 176 176 ALA H H 176 7.647 7.451 0.196 1 1 1645 . 12 1 1 A 176 176 ALA HA H 176 4.035 4.000 0.035 1 1 1649 . 12 1 1 A 176 176 ALA C C 176 178.284 180.024 -1.740 1 1 1650 . 12 1 1 A 176 176 ALA CA C 176 53.335 54.663 -1.328 1 1 1651 . 12 1 1 A 176 176 ALA CB C 176 18.985 18.205 0.780 1 1 1652 . 12 1 1 A 176 176 ALA N N 176 117.532 120.628 -3.096 1 1 1653 . 12 1 1 A 177 177 LEU H H 177 7.419 7.336 0.083 1 1 1654 . 12 1 1 A 177 177 LEU HA H 177 4.210 3.954 0.256 1 1 1658 . 12 1 1 A 177 177 LEU C C 177 174.091 177.524 -3.433 1 1 1659 . 12 1 1 A 177 177 LEU CA C 177 55.035 57.581 -2.546 1 1 1660 . 12 1 1 A 177 177 LEU CB C 177 42.340 42.059 0.281 1 1 1663 . 12 1 1 A 177 177 LEU N N 177 115.220 118.455 -3.235 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 159 1.547 1 2 1 1 1 "RMS(OBS, PRED)" CA 174 1.577 1 3 1 1 1 "RMS(OBS, PRED)" CB 158 1.941 1 4 1 1 1 "RMS(OBS, PRED)" H 162 0.725 1 5 1 1 1 "RMS(OBS, PRED)" HA 177 0.448 1 6 1 1 1 "RMS(OBS, PRED)" N 161 4.218 1 7 1 2 1 "RMS(OBS, PRED)" C 159 1.586 1 8 1 2 1 "RMS(OBS, PRED)" CA 174 1.620 1 9 1 2 1 "RMS(OBS, PRED)" CB 158 2.157 1 10 1 2 1 "RMS(OBS, PRED)" H 162 0.753 1 11 1 2 1 "RMS(OBS, PRED)" HA 177 0.483 1 12 1 2 1 "RMS(OBS, PRED)" N 161 4.327 1 13 1 3 1 "RMS(OBS, PRED)" C 159 1.480 1 14 1 3 1 "RMS(OBS, PRED)" CA 174 1.570 1 15 1 3 1 "RMS(OBS, PRED)" CB 158 1.983 1 16 1 3 1 "RMS(OBS, PRED)" H 162 0.714 1 17 1 3 1 "RMS(OBS, PRED)" HA 177 0.459 1 18 1 3 1 "RMS(OBS, PRED)" N 161 4.205 1 19 1 4 1 "RMS(OBS, PRED)" C 159 1.554 1 20 1 4 1 "RMS(OBS, PRED)" CA 174 1.733 1 21 1 4 1 "RMS(OBS, PRED)" CB 158 2.117 1 22 1 4 1 "RMS(OBS, PRED)" H 162 0.746 1 23 1 4 1 "RMS(OBS, PRED)" HA 177 0.482 1 24 1 4 1 "RMS(OBS, PRED)" N 161 4.632 1 25 1 5 1 "RMS(OBS, PRED)" C 159 1.528 1 26 1 5 1 "RMS(OBS, PRED)" CA 174 1.722 1 27 1 5 1 "RMS(OBS, PRED)" CB 158 1.939 1 28 1 5 1 "RMS(OBS, PRED)" H 162 0.766 1 29 1 5 1 "RMS(OBS, PRED)" HA 177 0.462 1 30 1 5 1 "RMS(OBS, PRED)" N 161 4.668 1 31 1 6 1 "RMS(OBS, PRED)" C 159 1.567 1 32 1 6 1 "RMS(OBS, PRED)" CA 174 1.633 1 33 1 6 1 "RMS(OBS, PRED)" CB 158 2.144 1 34 1 6 1 "RMS(OBS, PRED)" H 162 0.781 1 35 1 6 1 "RMS(OBS, PRED)" HA 177 0.470 1 36 1 6 1 "RMS(OBS, PRED)" N 161 4.605 1 37 1 7 1 "RMS(OBS, PRED)" C 159 1.547 1 38 1 7 1 "RMS(OBS, PRED)" CA 174 1.657 1 39 1 7 1 "RMS(OBS, PRED)" CB 158 2.184 1 40 1 7 1 "RMS(OBS, PRED)" H 162 0.732 1 41 1 7 1 "RMS(OBS, PRED)" HA 177 0.459 1 42 1 7 1 "RMS(OBS, PRED)" N 161 4.234 1 43 1 8 1 "RMS(OBS, PRED)" C 159 1.507 1 44 1 8 1 "RMS(OBS, PRED)" CA 174 1.709 1 45 1 8 1 "RMS(OBS, PRED)" CB 158 2.078 1 46 1 8 1 "RMS(OBS, PRED)" H 162 0.725 1 47 1 8 1 "RMS(OBS, PRED)" HA 177 0.453 1 48 1 8 1 "RMS(OBS, PRED)" N 161 4.297 1 49 1 9 1 "RMS(OBS, PRED)" C 159 1.509 1 50 1 9 1 "RMS(OBS, PRED)" CA 174 1.674 1 51 1 9 1 "RMS(OBS, PRED)" CB 158 2.048 1 52 1 9 1 "RMS(OBS, PRED)" H 162 0.698 1 53 1 9 1 "RMS(OBS, PRED)" HA 177 0.445 1 54 1 9 1 "RMS(OBS, PRED)" N 161 4.148 1 55 1 10 1 "RMS(OBS, PRED)" C 159 1.585 1 56 1 10 1 "RMS(OBS, PRED)" CA 174 1.765 1 57 1 10 1 "RMS(OBS, PRED)" CB 158 2.197 1 58 1 10 1 "RMS(OBS, PRED)" H 162 0.782 1 59 1 10 1 "RMS(OBS, PRED)" HA 177 0.459 1 60 1 10 1 "RMS(OBS, PRED)" N 161 4.374 1 61 1 11 1 "RMS(OBS, PRED)" C 159 1.515 1 62 1 11 1 "RMS(OBS, PRED)" CA 174 1.650 1 63 1 11 1 "RMS(OBS, PRED)" CB 158 2.075 1 64 1 11 1 "RMS(OBS, PRED)" H 162 0.703 1 65 1 11 1 "RMS(OBS, PRED)" HA 177 0.462 1 66 1 11 1 "RMS(OBS, PRED)" N 161 4.357 1 67 1 12 1 "RMS(OBS, PRED)" C 159 1.524 1 68 1 12 1 "RMS(OBS, PRED)" CA 174 1.740 1 69 1 12 1 "RMS(OBS, PRED)" CB 158 2.067 1 70 1 12 1 "RMS(OBS, PRED)" H 162 0.767 1 71 1 12 1 "RMS(OBS, PRED)" HA 177 0.473 1 72 1 12 1 "RMS(OBS, PRED)" N 161 4.725 1 stop_ save_ save_delta_chem_shifts_average _Entity_delta_chem_shifts.Sf_category delta_chem_shifts _Entity_delta_chem_shifts.Sf_framecode delta_chem_shifts_average _Entity_delta_chem_shifts.Conformer_type "average" _Entity_delta_chem_shifts.ID 2 _Entity_delta_chem_shifts.Details ; This saveframe contains the averaged SPARTA chemical shift over all the models used. ; loop_ _Delta_CS.Assigned_chem_shift_list_ID _Delta_CS.Atom_chem_shift_ID _Delta_CS.Assembly_atom_ID _Delta_CS.Entity_assembly_ID _Delta_CS.Entity_ID _Delta_CS.PDB_asym_ID _Delta_CS.Comp_index_ID _Delta_CS.Seq_ID _Delta_CS.Comp_ID _Delta_CS.Atom_ID _Delta_CS.Atom_type _Delta_CS.Auth_seq_ID _Delta_CS.Original_CS_value _Delta_CS.Sparta_CS_value _Delta_CS.Delta_CS_value _Delta_CS.Entity_delta_chem_shifts_ID 1 9 . 1 1 A 2 2 GLN H H 2 8.458 8.293 0.165 2 1 10 . 1 1 A 2 2 GLN HA H 2 4.330 4.439 -0.109 2 1 17 . 1 1 A 2 2 GLN C C 2 176.274 175.104 1.170 2 1 18 . 1 1 A 2 2 GLN CA C 2 55.806 56.698 -0.892 2 1 19 . 1 1 A 2 2 GLN CB C 2 32.011 29.593 2.418 2 1 21 . 1 1 A 2 2 GLN N N 2 121.530 118.940 2.590 2 1 23 . 1 1 A 3 3 THR H H 3 7.618 8.209 -0.591 2 1 24 . 1 1 A 3 3 THR HA H 3 4.683 5.013 -0.330 2 1 29 . 1 1 A 3 3 THR C C 3 173.331 172.874 0.457 2 1 30 . 1 1 A 3 3 THR CA C 3 61.640 60.386 1.254 2 1 31 . 1 1 A 3 3 THR CB C 3 70.160 71.871 -1.711 2 1 33 . 1 1 A 3 3 THR N N 3 120.510 114.362 6.148 2 1 34 . 1 1 A 4 4 ILE H H 4 9.077 8.925 0.152 2 1 35 . 1 1 A 4 4 ILE HA H 4 4.418 4.607 -0.189 2 1 38 . 1 1 A 4 4 ILE C C 4 173.824 174.634 -0.810 2 1 39 . 1 1 A 4 4 ILE CA C 4 59.775 60.304 -0.529 2 1 40 . 1 1 A 4 4 ILE CB C 4 40.441 39.900 0.541 2 1 44 . 1 1 A 4 4 ILE N N 4 127.486 124.900 2.586 2 1 45 . 1 1 A 5 5 LYS H H 5 10.666 8.806 1.860 2 1 46 . 1 1 A 5 5 LYS HA H 5 4.773 4.851 -0.078 2 1 47 . 1 1 A 5 5 LYS C C 5 174.398 175.413 -1.015 2 1 48 . 1 1 A 5 5 LYS CA C 5 56.175 55.769 0.407 2 1 49 . 1 1 A 5 5 LYS CB C 5 31.965 33.554 -1.589 2 1 52 . 1 1 A 5 5 LYS N N 5 131.626 127.546 4.080 2 1 53 . 1 1 A 6 6 CYS H H 6 9.473 8.763 0.710 2 1 54 . 1 1 A 6 6 CYS HA H 6 5.580 5.101 0.479 2 1 57 . 1 1 A 6 6 CYS C C 6 172.210 173.081 -0.871 2 1 58 . 1 1 A 6 6 CYS CA C 6 56.195 57.127 -0.932 2 1 59 . 1 1 A 6 6 CYS CB C 6 28.604 30.290 -1.685 2 1 60 . 1 1 A 6 6 CYS N N 6 131.522 123.780 7.742 2 1 61 . 1 1 A 7 7 VAL H H 7 7.607 8.515 -0.908 2 1 62 . 1 1 A 7 7 VAL HA H 7 5.014 4.806 0.207 2 1 70 . 1 1 A 7 7 VAL C C 7 174.077 174.706 -0.629 2 1 71 . 1 1 A 7 7 VAL CA C 7 60.575 61.217 -0.642 2 1 72 . 1 1 A 7 7 VAL CB C 7 33.100 34.124 -1.024 2 1 74 . 1 1 A 7 7 VAL N N 7 128.326 126.324 2.002 2 1 75 . 1 1 A 8 8 VAL H H 8 8.566 8.563 0.003 2 1 76 . 1 1 A 8 8 VAL HA H 8 4.784 4.889 -0.105 2 1 84 . 1 1 A 8 8 VAL C C 8 174.443 174.647 -0.204 2 1 85 . 1 1 A 8 8 VAL CA C 8 61.573 60.671 0.902 2 1 86 . 1 1 A 8 8 VAL CB C 8 32.367 34.150 -1.783 2 1 88 . 1 1 A 8 8 VAL N N 8 127.481 126.990 0.491 2 1 89 . 1 1 A 9 9 VAL H H 9 8.923 8.404 0.519 2 1 90 . 1 1 A 9 9 VAL HA H 9 4.419 4.814 -0.395 2 1 98 . 1 1 A 9 9 VAL C C 9 173.171 173.936 -0.765 2 1 99 . 1 1 A 9 9 VAL CA C 9 58.397 59.972 -1.575 2 1 100 . 1 1 A 9 9 VAL CB C 9 35.085 35.379 -0.294 2 1 102 . 1 1 A 9 9 VAL N N 9 116.900 125.012 -8.112 2 1 103 . 1 1 A 10 10 GLY H H 10 6.267 8.627 -2.360 2 1 104 . 1 1 A 10 10 GLY HA2 H 10 4.159 4.324 -0.165 2 1 105 . 1 1 A 10 10 GLY HA3 H 10 1.722 4.399 -2.677 2 1 106 . 1 1 A 10 10 GLY C C 10 172.378 172.078 0.300 2 1 107 . 1 1 A 10 10 GLY CA C 10 42.935 44.721 -1.786 2 1 108 . 1 1 A 10 10 GLY N N 10 106.077 113.253 -7.176 2 1 109 . 1 1 A 11 11 ASP H H 11 8.399 8.781 -0.382 2 1 110 . 1 1 A 11 11 ASP HA H 11 4.737 4.977 -0.240 2 1 112 . 1 1 A 11 11 ASP C C 11 177.486 176.657 0.829 2 1 113 . 1 1 A 11 11 ASP CA C 11 55.635 54.503 1.132 2 1 114 . 1 1 A 11 11 ASP CB C 11 41.076 41.704 -0.628 2 1 115 . 1 1 A 11 11 ASP N N 11 119.142 121.361 -2.219 2 1 116 . 1 1 A 12 12 GLY H H 12 8.902 8.793 0.109 2 1 117 . 1 1 A 12 12 GLY HA2 H 12 3.954 3.940 0.014 2 1 118 . 1 1 A 12 12 GLY HA3 H 12 3.718 3.947 -0.229 2 1 119 . 1 1 A 12 12 GLY C C 12 173.624 174.741 -1.117 2 1 120 . 1 1 A 12 12 GLY CA C 12 46.955 47.032 -0.077 2 1 121 . 1 1 A 12 12 GLY N N 12 104.688 113.250 -8.562 2 1 122 . 1 1 A 13 13 ALA H H 13 10.666 8.219 2.447 2 1 123 . 1 1 A 13 13 ALA HA H 13 4.067 4.403 -0.336 2 1 127 . 1 1 A 13 13 ALA CA C 13 53.455 52.521 0.934 2 1 128 . 1 1 A 13 13 ALA CB C 13 15.706 19.234 -3.528 2 1 129 . 1 1 A 13 13 ALA N N 13 123.135 123.663 -0.528 2 1 130 . 1 1 A 14 14 VAL H H 14 7.663 8.373 -0.710 2 1 131 . 1 1 A 14 14 VAL HA H 14 4.146 3.785 0.361 2 1 132 . 1 1 A 14 14 VAL C C 14 175.007 177.041 -2.033 2 1 133 . 1 1 A 14 14 VAL CA C 14 62.015 65.334 -3.319 2 1 134 . 1 1 A 14 14 VAL N N 14 118.803 121.023 -2.220 2 1 135 . 1 1 A 15 15 GLY H H 15 8.686 8.281 0.405 2 1 136 . 1 1 A 15 15 GLY HA2 H 15 4.838 4.036 0.802 2 1 137 . 1 1 A 15 15 GLY HA3 H 15 4.312 4.047 0.265 2 1 138 . 1 1 A 15 15 GLY C C 15 175.934 175.296 0.639 2 1 139 . 1 1 A 15 15 GLY CA C 15 44.835 46.022 -1.187 2 1 140 . 1 1 A 15 15 GLY N N 15 110.360 110.374 -0.014 2 1 141 . 1 1 A 16 16 LYS H H 16 10.352 7.936 2.416 2 1 142 . 1 1 A 16 16 LYS HA H 16 3.575 4.010 -0.435 2 1 143 . 1 1 A 16 16 LYS C C 16 176.582 178.799 -2.217 2 1 144 . 1 1 A 16 16 LYS CA C 16 60.695 58.829 1.866 2 1 145 . 1 1 A 16 16 LYS CB C 16 29.661 32.194 -2.533 2 1 146 . 1 1 A 16 16 LYS N N 16 125.835 121.560 4.275 2 1 147 . 1 1 A 17 17 THR H H 17 9.024 8.106 0.918 2 1 148 . 1 1 A 17 17 THR HA H 17 3.930 4.052 -0.122 2 1 153 . 1 1 A 17 17 THR C C 17 177.493 177.046 0.447 2 1 154 . 1 1 A 17 17 THR CA C 17 66.984 65.742 1.242 2 1 155 . 1 1 A 17 17 THR CB C 17 67.298 68.235 -0.937 2 1 157 . 1 1 A 17 17 THR N N 17 118.089 114.623 3.466 2 1 158 . 1 1 A 18 18 CYS H H 18 9.773 8.192 1.581 2 1 159 . 1 1 A 18 18 CYS HA H 18 3.580 4.120 -0.541 2 1 162 . 1 1 A 18 18 CYS C C 18 176.716 177.130 -0.414 2 1 163 . 1 1 A 18 18 CYS CA C 18 65.816 62.951 2.865 2 1 164 . 1 1 A 18 18 CYS CB C 18 27.655 27.206 0.449 2 1 165 . 1 1 A 18 18 CYS N N 18 119.747 119.867 -0.120 2 1 166 . 1 1 A 19 19 LEU H H 19 8.195 7.832 0.363 2 1 167 . 1 1 A 19 19 LEU HA H 19 3.940 4.139 -0.199 2 1 174 . 1 1 A 19 19 LEU C C 19 177.177 178.806 -1.629 2 1 175 . 1 1 A 19 19 LEU CA C 19 59.366 57.899 1.467 2 1 176 . 1 1 A 19 19 LEU CB C 19 41.377 41.641 -0.263 2 1 178 . 1 1 A 19 19 LEU N N 19 121.557 123.327 -1.770 2 1 179 . 1 1 A 20 20 LEU H H 20 7.270 7.841 -0.571 2 1 180 . 1 1 A 20 20 LEU HA H 20 3.840 4.127 -0.287 2 1 189 . 1 1 A 20 20 LEU C C 20 180.155 179.140 1.015 2 1 190 . 1 1 A 20 20 LEU CA C 20 57.629 57.877 -0.248 2 1 191 . 1 1 A 20 20 LEU CB C 20 41.498 41.647 -0.148 2 1 194 . 1 1 A 20 20 LEU N N 20 117.986 117.968 0.018 2 1 195 . 1 1 A 21 21 ILE H H 21 8.619 7.928 0.691 2 1 196 . 1 1 A 21 21 ILE HA H 21 3.090 3.715 -0.625 2 1 202 . 1 1 A 21 21 ILE C C 21 179.125 177.941 1.183 2 1 203 . 1 1 A 21 21 ILE CA C 21 66.129 64.615 1.514 2 1 204 . 1 1 A 21 21 ILE CB C 21 38.338 37.385 0.953 2 1 208 . 1 1 A 21 21 ILE N N 21 121.078 120.173 0.905 2 1 209 . 1 1 A 22 22 SER H H 22 8.899 8.257 0.642 2 1 210 . 1 1 A 22 22 SER HA H 22 4.517 4.215 0.302 2 1 213 . 1 1 A 22 22 SER C C 22 176.876 176.370 0.506 2 1 214 . 1 1 A 22 22 SER CA C 22 61.380 62.080 -0.700 2 1 215 . 1 1 A 22 22 SER CB C 22 63.882 63.268 0.614 2 1 216 . 1 1 A 22 22 SER N N 22 118.286 116.424 1.862 2 1 217 . 1 1 A 23 23 TYR H H 23 7.951 7.493 0.458 2 1 218 . 1 1 A 23 23 TYR HA H 23 4.264 4.234 0.030 2 1 223 . 1 1 A 23 23 TYR C C 23 176.820 177.541 -0.721 2 1 224 . 1 1 A 23 23 TYR CA C 23 60.474 61.456 -0.982 2 1 225 . 1 1 A 23 23 TYR CB C 23 39.531 38.840 0.691 2 1 226 . 1 1 A 23 23 TYR N N 23 117.292 123.435 -6.143 2 1 227 . 1 1 A 24 24 THR H H 24 7.702 8.222 -0.520 2 1 228 . 1 1 A 24 24 THR HA H 24 3.614 4.018 -0.404 2 1 233 . 1 1 A 24 24 THR C C 24 176.500 175.611 0.889 2 1 234 . 1 1 A 24 24 THR CA C 24 64.095 65.656 -1.561 2 1 235 . 1 1 A 24 24 THR CB C 24 70.437 68.438 1.999 2 1 237 . 1 1 A 24 24 THR N N 24 105.659 113.958 -8.299 2 1 238 . 1 1 A 25 25 THR H H 25 8.080 7.923 0.157 2 1 239 . 1 1 A 25 25 THR HA H 25 4.556 4.435 0.121 2 1 244 . 1 1 A 25 25 THR C C 25 175.025 174.285 0.740 2 1 245 . 1 1 A 25 25 THR CA C 25 61.975 61.586 0.389 2 1 246 . 1 1 A 25 25 THR CB C 25 72.012 70.115 1.897 2 1 248 . 1 1 A 25 25 THR N N 25 109.689 111.873 -2.184 2 1 249 . 1 1 A 26 26 ASN H H 26 7.603 8.108 -0.505 2 1 250 . 1 1 A 26 26 ASN HA H 26 4.501 4.848 -0.347 2 1 253 . 1 1 A 26 26 ASN C C 26 173.259 174.372 -1.113 2 1 254 . 1 1 A 26 26 ASN CA C 26 55.218 53.449 1.769 2 1 255 . 1 1 A 26 26 ASN CB C 26 38.009 38.320 -0.311 2 1 256 . 1 1 A 26 26 ASN N N 26 115.569 118.305 -2.736 2 1 257 . 1 1 A 27 27 LYS H H 27 7.698 7.746 -0.048 2 1 258 . 1 1 A 27 27 LYS HA H 27 4.431 4.288 0.143 2 1 261 . 1 1 A 27 27 LYS C C 27 173.500 176.326 -2.826 2 1 262 . 1 1 A 27 27 LYS CA C 27 55.163 55.754 -0.591 2 1 263 . 1 1 A 27 27 LYS CB C 27 35.034 32.632 2.402 2 1 267 . 1 1 A 27 27 LYS N N 27 118.253 121.567 -3.314 2 1 268 . 1 1 A 28 28 PHE H H 28 8.554 7.759 0.795 2 1 269 . 1 1 A 28 28 PHE CA C 28 55.575 61.429 -5.854 2 1 270 . 1 1 A 28 28 PHE CB C 28 39.322 38.071 1.251 2 1 271 . 1 1 A 28 28 PHE N N 28 125.682 122.468 3.214 2 1 272 . 1 1 A 29 29 PRO HA H 29 4.373 4.128 0.246 2 1 274 . 1 1 A 29 29 PRO C C 29 173.611 177.426 -3.815 2 1 275 . 1 1 A 29 29 PRO CA C 29 61.978 65.284 -3.306 2 1 276 . 1 1 A 29 29 PRO CB C 29 30.039 30.958 -0.919 2 1 279 . 1 1 A 30 30 SER H H 30 7.993 8.064 -0.071 2 1 280 . 1 1 A 30 30 SER HA H 30 4.285 4.283 0.002 2 1 283 . 1 1 A 30 30 SER C C 30 174.665 174.273 0.392 2 1 284 . 1 1 A 30 30 SER CA C 30 58.948 59.670 -0.722 2 1 285 . 1 1 A 30 30 SER CB C 30 64.019 62.602 1.417 2 1 286 . 1 1 A 30 30 SER N N 30 116.682 113.108 3.574 2 1 287 . 1 1 A 31 31 GLU H H 31 8.198 8.122 0.076 2 1 288 . 1 1 A 31 31 GLU HA H 31 4.308 4.021 0.287 2 1 292 . 1 1 A 31 31 GLU C C 31 175.157 175.786 -0.629 2 1 293 . 1 1 A 31 31 GLU CA C 31 56.846 58.179 -1.333 2 1 294 . 1 1 A 31 31 GLU CB C 31 30.113 28.789 1.324 2 1 296 . 1 1 A 31 31 GLU N N 31 120.151 118.920 1.231 2 1 297 . 1 1 A 32 32 TYR H H 32 7.714 8.101 -0.387 2 1 298 . 1 1 A 32 32 TYR HA H 32 4.407 4.751 -0.344 2 1 302 . 1 1 A 32 32 TYR C C 32 173.544 174.931 -1.387 2 1 303 . 1 1 A 32 32 TYR CA C 32 58.368 57.903 0.465 2 1 304 . 1 1 A 32 32 TYR CB C 32 38.614 40.330 -1.716 2 1 305 . 1 1 A 32 32 TYR N N 32 118.548 119.018 -0.470 2 1 306 . 1 1 A 33 33 VAL H H 33 7.764 8.264 -0.500 2 1 307 . 1 1 A 33 33 VAL HA H 33 4.048 4.274 -0.226 2 1 315 . 1 1 A 33 33 VAL CA C 33 58.575 60.875 -2.300 2 1 316 . 1 1 A 33 33 VAL CB C 33 33.600 31.485 2.115 2 1 317 . 1 1 A 33 33 VAL N N 33 125.992 120.364 5.628 2 1 318 . 1 1 A 34 34 PRO HA H 34 4.215 4.507 -0.292 2 1 320 . 1 1 A 34 34 PRO C C 34 175.627 176.572 -0.945 2 1 321 . 1 1 A 34 34 PRO CA C 34 61.655 63.773 -2.118 2 1 322 . 1 1 A 34 34 PRO CB C 34 31.965 32.140 -0.175 2 1 325 . 1 1 A 35 35 ALA H H 35 8.503 8.006 0.497 2 1 326 . 1 1 A 35 35 ALA HA H 35 4.190 4.303 -0.113 2 1 330 . 1 1 A 35 35 ALA C C 35 178.295 176.309 1.986 2 1 331 . 1 1 A 35 35 ALA CA C 35 54.499 52.337 2.162 2 1 332 . 1 1 A 35 35 ALA CB C 35 18.235 19.358 -1.123 2 1 333 . 1 1 A 35 35 ALA N N 35 123.063 121.254 1.809 2 1 334 . 1 1 A 36 36 VAL H H 36 8.032 7.780 0.252 2 1 335 . 1 1 A 36 36 VAL HA H 36 4.258 4.551 -0.292 2 1 340 . 1 1 A 36 36 VAL CA C 36 60.200 60.524 -0.324 2 1 341 . 1 1 A 36 36 VAL CB C 36 29.879 34.385 -4.506 2 1 342 . 1 1 A 36 36 VAL N N 36 116.770 116.938 -0.168 2 1 344 . 1 1 A 37 37 PHE C C 37 174.502 175.021 -0.519 2 1 345 . 1 1 A 37 37 PHE CA C 37 56.175 57.460 -1.285 2 1 346 . 1 1 A 37 37 PHE CB C 37 40.231 39.965 0.266 2 1 347 . 1 1 A 38 38 ASP H H 38 7.602 8.236 -0.634 2 1 348 . 1 1 A 38 38 ASP HA H 38 4.343 4.750 -0.407 2 1 351 . 1 1 A 38 38 ASP C C 38 174.386 175.297 -0.911 2 1 352 . 1 1 A 38 38 ASP CA C 38 54.323 53.449 0.874 2 1 353 . 1 1 A 38 38 ASP CB C 38 40.815 42.156 -1.341 2 1 354 . 1 1 A 38 38 ASP N N 38 125.774 119.792 5.982 2 1 355 . 1 1 A 39 39 ASN H H 39 7.917 8.458 -0.541 2 1 356 . 1 1 A 39 39 ASN HA H 39 4.303 4.705 -0.402 2 1 360 . 1 1 A 39 39 ASN C C 39 173.897 174.380 -0.483 2 1 361 . 1 1 A 39 39 ASN CA C 39 54.317 53.253 1.064 2 1 362 . 1 1 A 39 39 ASN CB C 39 38.180 39.060 -0.880 2 1 363 . 1 1 A 39 39 ASN N N 39 117.429 118.803 -1.374 2 1 365 . 1 1 A 40 40 TYR H H 40 7.726 8.838 -1.112 2 1 366 . 1 1 A 40 40 TYR HA H 40 4.513 5.222 -0.709 2 1 370 . 1 1 A 40 40 TYR C C 40 172.772 174.426 -1.654 2 1 371 . 1 1 A 40 40 TYR CA C 40 57.335 56.776 0.559 2 1 372 . 1 1 A 40 40 TYR CB C 40 42.956 42.265 0.691 2 1 373 . 1 1 A 40 40 TYR N N 40 122.998 121.936 1.062 2 1 374 . 1 1 A 41 41 ALA H H 41 7.651 8.667 -1.016 2 1 375 . 1 1 A 41 41 ALA HA H 41 5.636 5.394 0.241 2 1 379 . 1 1 A 41 41 ALA C C 41 175.778 176.113 -0.335 2 1 380 . 1 1 A 41 41 ALA CA C 41 50.456 50.066 0.390 2 1 381 . 1 1 A 41 41 ALA CB C 41 20.492 22.042 -1.550 2 1 382 . 1 1 A 41 41 ALA N N 41 127.028 125.950 1.078 2 1 383 . 1 1 A 42 42 VAL H H 42 8.781 8.790 -0.009 2 1 384 . 1 1 A 42 42 VAL HA H 42 4.564 4.961 -0.397 2 1 389 . 1 1 A 42 42 VAL C C 42 173.852 174.608 -0.756 2 1 390 . 1 1 A 42 42 VAL CA C 42 59.278 60.322 -1.044 2 1 391 . 1 1 A 42 42 VAL CB C 42 35.342 35.429 -0.087 2 1 393 . 1 1 A 42 42 VAL N N 42 117.471 119.854 -2.383 2 1 394 . 1 1 A 43 43 THR H H 43 8.566 8.885 -0.319 2 1 395 . 1 1 A 43 43 THR HA H 43 5.124 5.064 0.060 2 1 400 . 1 1 A 43 43 THR C C 43 174.210 174.096 0.114 2 1 401 . 1 1 A 43 43 THR CA C 43 62.434 61.523 0.911 2 1 402 . 1 1 A 43 43 THR CB C 43 69.296 70.630 -1.334 2 1 404 . 1 1 A 43 43 THR N N 43 120.850 121.506 -0.656 2 1 405 . 1 1 A 44 44 VAL H H 44 9.442 8.994 0.448 2 1 406 . 1 1 A 44 44 VAL HA H 44 4.367 4.850 -0.483 2 1 411 . 1 1 A 44 44 VAL C C 44 174.061 174.578 -0.517 2 1 412 . 1 1 A 44 44 VAL CA C 44 60.639 60.427 0.212 2 1 413 . 1 1 A 44 44 VAL CB C 44 35.053 34.800 0.253 2 1 415 . 1 1 A 44 44 VAL N N 44 127.764 124.386 3.378 2 1 416 . 1 1 A 45 45 MET H H 45 8.513 8.847 -0.334 2 1 417 . 1 1 A 45 45 MET HA H 45 5.272 5.279 -0.007 2 1 421 . 1 1 A 45 45 MET C C 45 176.395 175.279 1.117 2 1 422 . 1 1 A 45 45 MET CA C 45 53.264 53.934 -0.670 2 1 423 . 1 1 A 45 45 MET CB C 45 31.692 34.366 -2.674 2 1 424 . 1 1 A 45 45 MET N N 45 123.063 124.472 -1.409 2 1 425 . 1 1 A 46 46 ILE H H 46 9.103 8.750 0.353 2 1 426 . 1 1 A 46 46 ILE HA H 46 4.382 4.685 -0.303 2 1 434 . 1 1 A 46 46 ILE C C 46 177.661 176.677 0.984 2 1 435 . 1 1 A 46 46 ILE CA C 46 59.755 59.772 -0.017 2 1 436 . 1 1 A 46 46 ILE CB C 46 38.913 41.067 -2.154 2 1 440 . 1 1 A 46 46 ILE N N 46 125.267 124.356 0.911 2 1 441 . 1 1 A 47 47 GLY H H 47 9.385 9.402 -0.017 2 1 442 . 1 1 A 47 47 GLY HA2 H 47 4.755 3.881 0.874 2 1 443 . 1 1 A 47 47 GLY HA3 H 47 3.851 3.889 -0.038 2 1 444 . 1 1 A 47 47 GLY C C 47 175.195 175.592 -0.397 2 1 445 . 1 1 A 47 47 GLY CA C 47 47.015 46.976 0.039 2 1 446 . 1 1 A 47 47 GLY N N 47 119.278 115.532 3.746 2 1 447 . 1 1 A 48 48 GLY H H 48 8.606 8.511 0.095 2 1 448 . 1 1 A 48 48 GLY HA2 H 48 4.140 3.897 0.243 2 1 449 . 1 1 A 48 48 GLY HA3 H 48 3.623 3.913 -0.290 2 1 450 . 1 1 A 48 48 GLY C C 48 172.844 173.893 -1.049 2 1 451 . 1 1 A 48 48 GLY CA C 48 44.889 45.853 -0.964 2 1 452 . 1 1 A 48 48 GLY N N 48 104.656 108.387 -3.731 2 1 453 . 1 1 A 49 49 GLU H H 49 7.722 8.986 -1.264 2 1 454 . 1 1 A 49 49 GLU HA H 49 4.182 4.672 -0.490 2 1 457 . 1 1 A 49 49 GLU CA C 49 52.336 53.375 -1.039 2 1 458 . 1 1 A 49 49 GLU CB C 49 31.160 30.956 0.204 2 1 459 . 1 1 A 49 49 GLU N N 49 120.543 120.055 0.488 2 1 460 . 1 1 A 50 50 PRO HA H 50 4.977 4.753 0.224 2 1 462 . 1 1 A 50 50 PRO C C 50 177.922 175.297 2.625 2 1 463 . 1 1 A 50 50 PRO CA C 50 62.080 62.725 -0.645 2 1 464 . 1 1 A 50 50 PRO CB C 50 32.147 32.258 -0.111 2 1 465 . 1 1 A 51 51 TYR H H 51 9.148 8.560 0.588 2 1 466 . 1 1 A 51 51 TYR HA H 51 4.683 5.168 -0.485 2 1 470 . 1 1 A 51 51 TYR C C 51 176.400 174.994 1.406 2 1 471 . 1 1 A 51 51 TYR CA C 51 57.344 56.602 0.742 2 1 472 . 1 1 A 51 51 TYR CB C 51 41.669 43.018 -1.349 2 1 473 . 1 1 A 51 51 TYR N N 51 121.300 123.845 -2.545 2 1 474 . 1 1 A 52 52 THR H H 52 8.889 8.919 -0.030 2 1 475 . 1 1 A 52 52 THR HA H 52 4.113 5.046 -0.933 2 1 477 . 1 1 A 52 52 THR C C 52 172.149 173.215 -1.066 2 1 478 . 1 1 A 52 52 THR CA C 52 62.400 61.069 1.331 2 1 479 . 1 1 A 52 52 THR CB C 52 69.447 70.836 -1.389 2 1 481 . 1 1 A 52 52 THR N N 52 119.482 115.695 3.787 2 1 482 . 1 1 A 53 53 LEU H H 53 9.480 8.953 0.527 2 1 483 . 1 1 A 53 53 LEU HA H 53 5.030 5.165 -0.135 2 1 491 . 1 1 A 53 53 LEU C C 53 174.307 174.992 -0.685 2 1 492 . 1 1 A 53 53 LEU CA C 53 53.375 53.547 -0.172 2 1 493 . 1 1 A 53 53 LEU CB C 53 44.216 45.256 -1.040 2 1 496 . 1 1 A 53 53 LEU N N 53 131.364 126.056 5.308 2 1 497 . 1 1 A 54 54 GLY H H 54 9.749 8.800 0.949 2 1 498 . 1 1 A 54 54 GLY HA2 H 54 4.571 4.168 0.403 2 1 499 . 1 1 A 54 54 GLY HA3 H 54 3.577 4.200 -0.623 2 1 500 . 1 1 A 54 54 GLY C C 54 171.929 171.795 0.134 2 1 501 . 1 1 A 54 54 GLY CA C 54 45.195 44.522 0.673 2 1 502 . 1 1 A 54 54 GLY N N 54 115.640 113.264 2.376 2 1 503 . 1 1 A 55 55 LEU H H 55 8.623 8.862 -0.239 2 1 504 . 1 1 A 55 55 LEU HA H 55 5.104 5.020 0.084 2 1 510 . 1 1 A 55 55 LEU C C 55 176.000 175.318 0.682 2 1 511 . 1 1 A 55 55 LEU CA C 55 54.202 53.112 1.090 2 1 512 . 1 1 A 55 55 LEU CB C 55 44.057 43.418 0.639 2 1 515 . 1 1 A 55 55 LEU N N 55 125.141 125.291 -0.150 2 1 516 . 1 1 A 56 56 PHE H H 56 8.735 8.849 -0.114 2 1 517 . 1 1 A 56 56 PHE HA H 56 4.821 5.271 -0.450 2 1 521 . 1 1 A 56 56 PHE C C 56 173.130 174.134 -1.004 2 1 522 . 1 1 A 56 56 PHE CA C 56 56.833 56.251 0.582 2 1 523 . 1 1 A 56 56 PHE CB C 56 40.776 42.315 -1.539 2 1 524 . 1 1 A 56 56 PHE N N 56 122.065 124.752 -2.687 2 1 525 . 1 1 A 57 57 ASP H H 57 9.093 8.667 0.426 2 1 526 . 1 1 A 57 57 ASP HA H 57 4.877 5.168 -0.291 2 1 529 . 1 1 A 57 57 ASP C C 57 175.941 175.312 0.629 2 1 530 . 1 1 A 57 57 ASP CA C 57 51.755 52.709 -0.954 2 1 531 . 1 1 A 57 57 ASP CB C 57 43.082 43.959 -0.877 2 1 532 . 1 1 A 57 57 ASP N N 57 124.050 123.192 0.858 2 1 533 . 1 1 A 58 58 THR H H 58 8.621 8.593 0.028 2 1 534 . 1 1 A 58 58 THR HA H 58 3.905 4.559 -0.654 2 1 535 . 1 1 A 58 58 THR C C 58 172.124 174.452 -2.328 2 1 536 . 1 1 A 58 58 THR CA C 58 60.335 62.269 -1.934 2 1 537 . 1 1 A 58 58 THR CB C 58 74.469 69.903 4.566 2 1 538 . 1 1 A 58 58 THR N N 58 109.327 115.481 -6.154 2 1 539 . 1 1 A 59 59 ALA H H 59 8.695 8.598 0.097 2 1 540 . 1 1 A 59 59 ALA HA H 59 4.565 4.654 -0.089 2 1 544 . 1 1 A 59 59 ALA CA C 59 50.475 51.358 -0.883 2 1 545 . 1 1 A 59 59 ALA CB C 59 18.224 21.370 -3.146 2 1 546 . 1 1 A 59 59 ALA N N 59 123.129 125.193 -2.064 2 1 547 . 1 1 A 60 60 GLY H H 60 8.630 8.555 0.076 2 1 548 . 1 1 A 60 60 GLY HA2 H 60 4.420 3.898 0.522 2 1 549 . 1 1 A 60 60 GLY HA3 H 60 3.902 3.951 -0.049 2 1 550 . 1 1 A 60 60 GLY C C 60 173.122 174.567 -1.445 2 1 551 . 1 1 A 60 60 GLY CA C 60 46.178 46.160 0.018 2 1 552 . 1 1 A 60 60 GLY N N 60 109.449 108.591 0.858 2 1 553 . 1 1 A 61 61 GLN H H 61 8.553 8.233 0.320 2 1 554 . 1 1 A 61 61 GLN HA H 61 4.492 4.403 0.089 2 1 560 . 1 1 A 61 61 GLN C C 61 177.014 175.893 1.121 2 1 561 . 1 1 A 61 61 GLN CA C 61 56.895 56.445 0.450 2 1 562 . 1 1 A 61 61 GLN CB C 61 28.863 28.381 0.482 2 1 564 . 1 1 A 61 61 GLN N N 61 118.471 120.311 -1.840 2 1 566 . 1 1 A 62 62 GLU H H 62 9.082 8.408 0.674 2 1 567 . 1 1 A 62 62 GLU HA H 62 4.292 4.308 -0.016 2 1 570 . 1 1 A 62 62 GLU C C 62 178.273 177.255 1.018 2 1 571 . 1 1 A 62 62 GLU CA C 62 58.361 57.888 0.473 2 1 572 . 1 1 A 62 62 GLU CB C 62 28.579 30.166 -1.587 2 1 574 . 1 1 A 62 62 GLU N N 62 122.087 122.001 0.086 2 1 575 . 1 1 A 63 63 ASP H H 63 8.636 8.647 -0.011 2 1 576 . 1 1 A 63 63 ASP HA H 63 4.348 4.373 -0.026 2 1 579 . 1 1 A 63 63 ASP C C 63 176.712 176.573 0.139 2 1 580 . 1 1 A 63 63 ASP CA C 63 55.587 55.755 -0.168 2 1 581 . 1 1 A 63 63 ASP CB C 63 39.571 40.029 -0.458 2 1 582 . 1 1 A 63 63 ASP N N 63 117.009 120.015 -3.006 2 1 583 . 1 1 A 64 64 TYR H H 64 8.061 7.933 0.128 2 1 584 . 1 1 A 64 64 TYR HA H 64 4.609 4.614 -0.005 2 1 587 . 1 1 A 64 64 TYR C C 64 176.254 175.314 0.940 2 1 588 . 1 1 A 64 64 TYR CA C 64 58.231 57.936 0.295 2 1 589 . 1 1 A 64 64 TYR CB C 64 38.650 38.353 0.297 2 1 590 . 1 1 A 64 64 TYR N N 64 117.063 118.476 -1.413 2 1 591 . 1 1 A 65 65 ASP H H 65 8.064 8.266 -0.202 2 1 592 . 1 1 A 65 65 ASP HA H 65 4.439 4.394 0.045 2 1 594 . 1 1 A 65 65 ASP C C 65 175.163 176.515 -1.352 2 1 595 . 1 1 A 65 65 ASP CA C 65 57.971 55.567 2.404 2 1 596 . 1 1 A 65 65 ASP N N 65 122.196 119.135 3.061 2 1 597 . 1 1 A 66 66 ARG H H 66 8.537 7.974 0.563 2 1 598 . 1 1 A 66 66 ARG HA H 66 4.345 4.127 0.218 2 1 599 . 1 1 A 66 66 ARG C C 66 175.009 176.654 -1.644 2 1 600 . 1 1 A 66 66 ARG CA C 66 56.217 57.833 -1.615 2 1 601 . 1 1 A 66 66 ARG N N 66 122.224 118.674 3.550 2 1 602 . 1 1 A 67 67 LEU H H 67 8.336 7.794 0.542 2 1 603 . 1 1 A 67 67 LEU HA H 67 4.037 4.262 -0.225 2 1 604 . 1 1 A 67 67 LEU CA C 67 61.694 55.653 6.041 2 1 605 . 1 1 A 67 67 LEU N N 67 117.734 120.732 -2.998 2 1 607 . 1 1 A 69 69 PRO C C 69 178.122 177.626 0.496 2 1 608 . 1 1 A 69 69 PRO CA C 69 63.575 64.873 -1.298 2 1 611 . 1 1 A 70 70 LEU H H 70 7.470 8.023 -0.553 2 1 612 . 1 1 A 70 70 LEU HA H 70 4.031 4.167 -0.136 2 1 621 . 1 1 A 70 70 LEU C C 70 178.756 176.874 1.882 2 1 622 . 1 1 A 70 70 LEU CA C 70 56.944 56.367 0.578 2 1 623 . 1 1 A 70 70 LEU CB C 70 40.002 41.823 -1.821 2 1 626 . 1 1 A 70 70 LEU N N 70 118.335 118.481 -0.146 2 1 627 . 1 1 A 71 71 SER H H 71 7.882 7.941 -0.059 2 1 628 . 1 1 A 71 71 SER HA H 71 4.461 4.503 -0.042 2 1 630 . 1 1 A 71 71 SER C C 71 179.200 173.130 6.070 2 1 631 . 1 1 A 71 71 SER CA C 71 59.710 58.544 1.166 2 1 632 . 1 1 A 71 71 SER CB C 71 63.841 64.032 -0.191 2 1 633 . 1 1 A 71 71 SER N N 71 111.784 114.048 -2.264 2 1 634 . 1 1 A 72 72 TYR H H 72 7.362 8.148 -0.786 2 1 635 . 1 1 A 72 72 TYR CA C 72 56.002 56.426 -0.424 2 1 636 . 1 1 A 72 72 TYR CB C 72 35.144 38.760 -3.616 2 1 637 . 1 1 A 72 72 TYR N N 72 119.959 120.838 -0.879 2 1 638 . 1 1 A 73 73 PRO HA H 73 4.231 4.485 -0.254 2 1 639 . 1 1 A 73 73 PRO C C 73 176.096 176.351 -0.255 2 1 640 . 1 1 A 73 73 PRO CA C 73 66.055 63.418 2.637 2 1 641 . 1 1 A 73 73 PRO CB C 73 35.726 31.909 3.817 2 1 642 . 1 1 A 74 74 GLN H H 74 8.995 8.332 0.663 2 1 643 . 1 1 A 74 74 GLN HA H 74 3.790 4.744 -0.954 2 1 647 . 1 1 A 74 74 GLN C C 74 174.686 174.759 -0.073 2 1 648 . 1 1 A 74 74 GLN CA C 74 57.416 55.129 2.287 2 1 649 . 1 1 A 74 74 GLN CB C 74 25.352 31.281 -5.929 2 1 651 . 1 1 A 74 74 GLN N N 74 114.768 119.334 -4.566 2 1 653 . 1 1 A 75 75 THR H H 75 7.504 8.539 -1.035 2 1 654 . 1 1 A 75 75 THR HA H 75 3.172 4.608 -1.436 2 1 659 . 1 1 A 75 75 THR C C 75 173.589 174.005 -0.416 2 1 660 . 1 1 A 75 75 THR CA C 75 67.162 60.964 6.198 2 1 661 . 1 1 A 75 75 THR CB C 75 61.122 70.387 -9.265 2 1 663 . 1 1 A 75 75 THR N N 75 116.725 116.087 0.638 2 1 664 . 1 1 A 76 76 ASP H H 76 8.865 8.586 0.279 2 1 665 . 1 1 A 76 76 ASP HA H 76 4.873 4.583 0.290 2 1 668 . 1 1 A 76 76 ASP C C 76 177.600 175.852 1.748 2 1 669 . 1 1 A 76 76 ASP CA C 76 56.105 56.212 -0.107 2 1 670 . 1 1 A 76 76 ASP CB C 76 44.016 42.269 1.747 2 1 671 . 1 1 A 76 76 ASP N N 76 124.192 123.887 0.305 2 1 672 . 1 1 A 77 77 VAL H H 77 7.578 7.566 0.011 2 1 673 . 1 1 A 77 77 VAL HA H 77 4.706 4.591 0.115 2 1 681 . 1 1 A 77 77 VAL C C 77 171.266 173.565 -2.299 2 1 682 . 1 1 A 77 77 VAL CA C 77 60.346 60.636 -0.290 2 1 683 . 1 1 A 77 77 VAL CB C 77 32.362 35.184 -2.822 2 1 685 . 1 1 A 77 77 VAL N N 77 116.060 117.318 -1.258 2 1 686 . 1 1 A 78 78 PHE H H 78 8.287 8.862 -0.575 2 1 687 . 1 1 A 78 78 PHE HA H 78 5.646 5.231 0.415 2 1 690 . 1 1 A 78 78 PHE C C 78 175.799 174.157 1.642 2 1 691 . 1 1 A 78 78 PHE CA C 78 56.686 55.892 0.794 2 1 692 . 1 1 A 78 78 PHE CB C 78 43.413 41.208 2.205 2 1 693 . 1 1 A 78 78 PHE N N 78 121.935 126.665 -4.730 2 1 694 . 1 1 A 79 79 LEU H H 79 8.937 8.547 0.390 2 1 695 . 1 1 A 79 79 LEU HA H 79 4.691 5.135 -0.444 2 1 701 . 1 1 A 79 79 LEU C C 79 174.059 175.303 -1.244 2 1 702 . 1 1 A 79 79 LEU CA C 79 53.575 53.355 0.220 2 1 703 . 1 1 A 79 79 LEU CB C 79 41.184 44.729 -3.545 2 1 706 . 1 1 A 79 79 LEU N N 79 119.060 126.060 -7.000 2 1 707 . 1 1 A 80 80 VAL H H 80 8.828 8.664 0.164 2 1 708 . 1 1 A 80 80 VAL HA H 80 4.138 4.784 -0.646 2 1 716 . 1 1 A 80 80 VAL C C 80 174.535 174.508 0.027 2 1 717 . 1 1 A 80 80 VAL CA C 80 61.395 60.316 1.079 2 1 718 . 1 1 A 80 80 VAL CB C 80 30.602 34.735 -4.133 2 1 721 . 1 1 A 80 80 VAL N N 80 124.677 122.698 1.979 2 1 722 . 1 1 A 81 81 CYS H H 81 8.795 8.713 0.083 2 1 723 . 1 1 A 81 81 CYS HA H 81 5.758 5.292 0.466 2 1 726 . 1 1 A 81 81 CYS C C 81 173.980 173.681 0.298 2 1 727 . 1 1 A 81 81 CYS CA C 81 57.821 57.080 0.741 2 1 728 . 1 1 A 81 81 CYS CB C 81 30.043 30.525 -0.482 2 1 729 . 1 1 A 81 81 CYS N N 81 123.745 125.164 -1.419 2 1 730 . 1 1 A 82 82 PHE H H 82 8.873 8.550 0.323 2 1 731 . 1 1 A 82 82 PHE HA H 82 4.532 5.423 -0.891 2 1 735 . 1 1 A 82 82 PHE C C 82 171.090 172.576 -1.486 2 1 736 . 1 1 A 82 82 PHE CA C 82 56.367 55.622 0.745 2 1 737 . 1 1 A 82 82 PHE CB C 82 40.091 41.997 -1.906 2 1 738 . 1 1 A 82 82 PHE N N 82 117.718 121.189 -3.471 2 1 739 . 1 1 A 83 83 SER H H 83 8.038 8.848 -0.810 2 1 740 . 1 1 A 83 83 SER HA H 83 5.204 4.784 0.420 2 1 743 . 1 1 A 83 83 SER C C 83 178.547 174.917 3.630 2 1 744 . 1 1 A 83 83 SER CA C 83 55.000 57.281 -2.281 2 1 745 . 1 1 A 83 83 SER CB C 83 63.051 64.731 -1.680 2 1 746 . 1 1 A 83 83 SER N N 83 113.246 116.191 -2.945 2 1 747 . 1 1 A 84 84 VAL H H 84 8.609 8.592 0.017 2 1 748 . 1 1 A 84 84 VAL HA H 84 4.261 4.415 -0.154 2 1 756 . 1 1 A 84 84 VAL C C 84 175.783 176.782 -0.999 2 1 757 . 1 1 A 84 84 VAL CA C 84 63.745 63.217 0.528 2 1 758 . 1 1 A 84 84 VAL CB C 84 29.811 32.417 -2.606 2 1 760 . 1 1 A 84 84 VAL N N 84 120.609 125.481 -4.872 2 1 761 . 1 1 A 85 85 VAL H H 85 7.653 7.407 0.246 2 1 762 . 1 1 A 85 85 VAL HA H 85 4.508 4.347 0.161 2 1 767 . 1 1 A 85 85 VAL C C 85 173.401 175.391 -1.990 2 1 768 . 1 1 A 85 85 VAL CA C 85 59.998 62.573 -2.575 2 1 769 . 1 1 A 85 85 VAL CB C 85 29.718 32.213 -2.495 2 1 772 . 1 1 A 85 85 VAL N N 85 107.920 117.295 -9.375 2 1 773 . 1 1 A 86 86 SER H H 86 7.792 7.907 -0.115 2 1 774 . 1 1 A 86 86 SER HA H 86 5.200 4.866 0.334 2 1 777 . 1 1 A 86 86 SER CA C 86 53.848 55.431 -1.583 2 1 778 . 1 1 A 86 86 SER CB C 86 62.720 64.301 -1.581 2 1 779 . 1 1 A 86 86 SER N N 86 112.608 117.880 -5.272 2 1 780 . 1 1 A 87 87 PRO C C 87 178.275 178.356 -0.081 2 1 781 . 1 1 A 87 87 PRO CA C 87 65.655 65.376 0.279 2 1 782 . 1 1 A 87 87 PRO CB C 87 31.961 31.808 0.153 2 1 783 . 1 1 A 88 88 SER H H 88 8.928 8.348 0.580 2 1 784 . 1 1 A 88 88 SER HA H 88 4.783 4.255 0.528 2 1 787 . 1 1 A 88 88 SER C C 88 176.192 176.932 -0.740 2 1 788 . 1 1 A 88 88 SER CA C 88 61.630 61.391 0.239 2 1 789 . 1 1 A 88 88 SER CB C 88 71.811 62.807 9.004 2 1 790 . 1 1 A 88 88 SER N N 88 113.475 112.895 0.580 2 1 791 . 1 1 A 89 89 SER H H 89 8.022 8.309 -0.286 2 1 792 . 1 1 A 89 89 SER HA H 89 5.047 4.352 0.695 2 1 795 . 1 1 A 89 89 SER C C 89 176.417 176.662 -0.245 2 1 796 . 1 1 A 89 89 SER CA C 89 61.352 60.953 0.400 2 1 797 . 1 1 A 89 89 SER CB C 89 63.930 63.144 0.786 2 1 798 . 1 1 A 89 89 SER N N 89 120.789 116.767 4.022 2 1 799 . 1 1 A 90 90 PHE H H 90 7.454 8.342 -0.888 2 1 800 . 1 1 A 90 90 PHE HA H 90 3.967 4.035 -0.068 2 1 804 . 1 1 A 90 90 PHE C C 90 177.387 177.817 -0.430 2 1 805 . 1 1 A 90 90 PHE CA C 90 59.945 60.867 -0.922 2 1 806 . 1 1 A 90 90 PHE CB C 90 39.365 39.198 0.167 2 1 807 . 1 1 A 90 90 PHE N N 90 124.950 123.466 1.484 2 1 808 . 1 1 A 91 91 GLU H H 91 8.245 8.240 0.005 2 1 809 . 1 1 A 91 91 GLU HA H 91 3.921 4.016 -0.095 2 1 811 . 1 1 A 91 91 GLU C C 91 179.695 179.193 0.502 2 1 812 . 1 1 A 91 91 GLU CA C 91 59.102 59.628 -0.526 2 1 813 . 1 1 A 91 91 GLU CB C 91 28.437 29.439 -1.002 2 1 815 . 1 1 A 91 91 GLU N N 91 119.953 118.460 1.493 2 1 816 . 1 1 A 92 92 ASN H H 92 8.106 8.306 -0.200 2 1 817 . 1 1 A 92 92 ASN HA H 92 4.760 4.403 0.357 2 1 821 . 1 1 A 92 92 ASN C C 92 178.593 177.882 0.711 2 1 822 . 1 1 A 92 92 ASN CA C 92 54.635 56.509 -1.874 2 1 823 . 1 1 A 92 92 ASN CB C 92 37.879 39.029 -1.150 2 1 824 . 1 1 A 92 92 ASN N N 92 114.315 118.221 -3.906 2 1 826 . 1 1 A 93 93 VAL H H 93 7.883 7.720 0.163 2 1 827 . 1 1 A 93 93 VAL HA H 93 3.738 3.456 0.282 2 1 835 . 1 1 A 93 93 VAL C C 93 174.932 178.077 -3.145 2 1 836 . 1 1 A 93 93 VAL CA C 93 68.395 66.929 1.466 2 1 837 . 1 1 A 93 93 VAL CB C 93 30.596 31.177 -0.581 2 1 839 . 1 1 A 93 93 VAL N N 93 124.067 120.167 3.900 2 1 840 . 1 1 A 94 94 LYS H H 94 6.590 7.712 -1.122 2 1 841 . 1 1 A 94 94 LYS HA H 94 3.902 4.049 -0.147 2 1 846 . 1 1 A 94 94 LYS C C 94 176.885 178.938 -2.053 2 1 847 . 1 1 A 94 94 LYS CA C 94 58.135 58.641 -0.506 2 1 848 . 1 1 A 94 94 LYS CB C 94 33.163 32.277 0.886 2 1 851 . 1 1 A 94 94 LYS N N 94 115.269 119.570 -4.301 2 1 852 . 1 1 A 95 95 GLU H H 95 7.719 8.201 -0.482 2 1 853 . 1 1 A 95 95 GLU HA H 95 4.089 4.081 0.008 2 1 857 . 1 1 A 95 95 GLU C C 95 176.252 177.785 -1.533 2 1 858 . 1 1 A 95 95 GLU CA C 95 57.564 58.632 -1.068 2 1 859 . 1 1 A 95 95 GLU CB C 95 30.353 29.738 0.615 2 1 861 . 1 1 A 95 95 GLU N N 95 112.466 119.166 -6.700 2 1 862 . 1 1 A 96 96 LYS H H 96 8.063 7.710 0.353 2 1 863 . 1 1 A 96 96 LYS HA H 96 4.250 4.301 -0.051 2 1 867 . 1 1 A 96 96 LYS C C 96 177.781 178.223 -0.442 2 1 868 . 1 1 A 96 96 LYS CA C 96 57.343 57.411 -0.068 2 1 869 . 1 1 A 96 96 LYS CB C 96 35.190 33.960 1.230 2 1 873 . 1 1 A 96 96 LYS N N 96 115.613 117.475 -1.862 2 1 874 . 1 1 A 97 97 TRP H H 97 7.786 7.875 -0.089 2 1 875 . 1 1 A 97 97 TRP HA H 97 4.390 4.491 -0.101 2 1 879 . 1 1 A 97 97 TRP C C 97 178.500 178.265 0.235 2 1 880 . 1 1 A 97 97 TRP CA C 97 60.831 59.255 1.576 2 1 881 . 1 1 A 97 97 TRP CB C 97 30.818 29.176 1.642 2 1 882 . 1 1 A 97 97 TRP N N 97 119.643 119.837 -0.194 2 1 884 . 1 1 A 98 98 VAL H H 98 8.604 7.776 0.828 2 1 885 . 1 1 A 98 98 VAL HA H 98 3.542 3.715 -0.173 2 1 890 . 1 1 A 98 98 VAL CA C 98 68.434 66.730 1.704 2 1 891 . 1 1 A 98 98 VAL CB C 98 28.357 30.742 -2.385 2 1 892 . 1 1 A 98 98 VAL N N 98 116.894 119.719 -2.825 2 1 893 . 1 1 A 99 99 PRO HA H 99 3.932 4.228 -0.296 2 1 895 . 1 1 A 99 99 PRO C C 99 177.438 178.694 -1.256 2 1 896 . 1 1 A 99 99 PRO CA C 99 66.615 65.966 0.649 2 1 897 . 1 1 A 99 99 PRO CB C 99 30.600 30.656 -0.056 2 1 899 . 1 1 A 100 100 GLU H H 100 7.538 8.171 -0.633 2 1 900 . 1 1 A 100 100 GLU HA H 100 4.219 4.108 0.111 2 1 902 . 1 1 A 100 100 GLU C C 100 178.891 178.974 -0.083 2 1 903 . 1 1 A 100 100 GLU CA C 100 60.795 59.453 1.342 2 1 904 . 1 1 A 100 100 GLU CB C 100 29.919 29.177 0.742 2 1 906 . 1 1 A 100 100 GLU N N 100 116.622 117.863 -1.241 2 1 907 . 1 1 A 101 101 ILE H H 101 8.331 7.570 0.761 2 1 908 . 1 1 A 101 101 ILE HA H 101 3.598 3.847 -0.249 2 1 909 . 1 1 A 101 101 ILE C C 101 177.812 177.786 0.026 2 1 910 . 1 1 A 101 101 ILE CA C 101 66.106 63.097 3.009 2 1 911 . 1 1 A 101 101 ILE CB C 101 35.806 37.556 -1.750 2 1 913 . 1 1 A 101 101 ILE N N 101 113.806 120.298 -6.492 2 1 914 . 1 1 A 102 102 THR H H 102 7.881 7.851 0.030 2 1 915 . 1 1 A 102 102 THR HA H 102 3.849 3.918 -0.069 2 1 917 . 1 1 A 102 102 THR C C 102 175.953 176.832 -0.879 2 1 918 . 1 1 A 102 102 THR CA C 102 64.979 66.443 -1.464 2 1 919 . 1 1 A 102 102 THR CB C 102 69.609 68.270 1.339 2 1 920 . 1 1 A 102 102 THR N N 102 112.542 117.213 -4.671 2 1 921 . 1 1 A 103 103 HIS H H 103 7.598 7.707 -0.109 2 1 922 . 1 1 A 103 103 HIS HA H 103 4.217 4.212 0.005 2 1 924 . 1 1 A 103 103 HIS C C 103 176.414 177.211 -0.797 2 1 925 . 1 1 A 103 103 HIS CA C 103 58.531 59.335 -0.804 2 1 926 . 1 1 A 103 103 HIS CB C 103 28.397 29.683 -1.286 2 1 927 . 1 1 A 103 103 HIS N N 103 118.843 119.614 -0.771 2 1 928 . 1 1 A 104 104 HIS H H 104 7.405 7.583 -0.178 2 1 929 . 1 1 A 104 104 HIS HA H 104 4.164 4.460 -0.296 2 1 932 . 1 1 A 104 104 HIS C C 104 176.660 175.044 1.616 2 1 933 . 1 1 A 104 104 HIS CA C 104 59.641 57.278 2.363 2 1 934 . 1 1 A 104 104 HIS CB C 104 33.363 30.249 3.114 2 1 935 . 1 1 A 104 104 HIS N N 104 113.791 115.495 -1.704 2 1 936 . 1 1 A 105 105 CYS H H 105 8.530 7.880 0.650 2 1 937 . 1 1 A 105 105 CYS HA H 105 5.015 4.538 0.477 2 1 940 . 1 1 A 105 105 CYS CA C 105 56.219 58.673 -2.454 2 1 941 . 1 1 A 105 105 CYS N N 105 117.178 116.154 1.024 2 1 942 . 1 1 A 106 106 PRO HA H 106 4.477 4.527 -0.050 2 1 945 . 1 1 A 106 106 PRO C C 106 177.961 176.801 1.160 2 1 946 . 1 1 A 106 106 PRO CA C 106 64.735 63.841 0.894 2 1 947 . 1 1 A 106 106 PRO CB C 106 31.961 32.044 -0.083 2 1 949 . 1 1 A 107 107 LYS H H 107 8.769 8.336 0.433 2 1 950 . 1 1 A 107 107 LYS HA H 107 4.771 4.538 0.233 2 1 955 . 1 1 A 107 107 LYS CA C 107 55.895 56.649 -0.754 2 1 956 . 1 1 A 107 107 LYS CB C 107 31.160 33.938 -2.778 2 1 957 . 1 1 A 107 107 LYS N N 107 116.131 118.879 -2.748 2 1 958 . 1 1 A 108 108 THR H H 108 7.586 8.198 -0.612 2 1 959 . 1 1 A 108 108 THR N N 108 121.415 112.907 8.508 2 1 960 . 1 1 A 109 109 PRO HA H 109 4.529 4.555 -0.026 2 1 963 . 1 1 A 109 109 PRO C C 109 174.846 175.593 -0.747 2 1 964 . 1 1 A 109 109 PRO CA C 109 62.495 62.995 -0.500 2 1 965 . 1 1 A 109 109 PRO CB C 109 33.563 32.008 1.554 2 1 968 . 1 1 A 110 110 PHE H H 110 8.165 8.672 -0.507 2 1 969 . 1 1 A 110 110 PHE HA H 110 5.929 5.183 0.746 2 1 971 . 1 1 A 110 110 PHE C C 110 172.666 174.217 -1.551 2 1 972 . 1 1 A 110 110 PHE CA C 110 54.448 56.525 -2.077 2 1 973 . 1 1 A 110 110 PHE CB C 110 43.554 41.957 1.597 2 1 974 . 1 1 A 110 110 PHE N N 110 112.128 123.426 -11.298 2 1 975 . 1 1 A 111 111 LEU H H 111 8.633 8.611 0.022 2 1 976 . 1 1 A 111 111 LEU HA H 111 4.694 5.148 -0.454 2 1 979 . 1 1 A 111 111 LEU C C 111 175.472 174.629 0.843 2 1 980 . 1 1 A 111 111 LEU CA C 111 54.212 53.464 0.748 2 1 981 . 1 1 A 111 111 LEU CB C 111 43.831 44.968 -1.137 2 1 984 . 1 1 A 111 111 LEU N N 111 119.654 125.371 -5.718 2 1 985 . 1 1 A 112 112 LEU H H 112 8.061 8.843 -0.782 2 1 986 . 1 1 A 112 112 LEU HA H 112 5.363 5.197 0.166 2 1 992 . 1 1 A 112 112 LEU C C 112 173.631 175.672 -2.041 2 1 993 . 1 1 A 112 112 LEU CA C 112 53.826 53.412 0.414 2 1 994 . 1 1 A 112 112 LEU CB C 112 44.182 43.530 0.652 2 1 996 . 1 1 A 112 112 LEU N N 112 121.946 128.099 -6.153 2 1 997 . 1 1 A 113 113 VAL H H 113 9.178 8.948 0.230 2 1 998 . 1 1 A 113 113 VAL HA H 113 4.878 4.869 0.009 2 1 1006 . 1 1 A 113 113 VAL C C 113 174.300 175.161 -0.861 2 1 1007 . 1 1 A 113 113 VAL CA C 113 59.695 60.638 -0.943 2 1 1008 . 1 1 A 113 113 VAL CB C 113 33.323 34.648 -1.325 2 1 1011 . 1 1 A 113 113 VAL N N 113 125.807 126.948 -1.141 2 1 1012 . 1 1 A 114 114 GLY H H 114 8.731 9.278 -0.547 2 1 1013 . 1 1 A 114 114 GLY HA2 H 114 3.688 3.641 0.047 2 1 1014 . 1 1 A 114 114 GLY HA3 H 114 3.270 4.099 -0.830 2 1 1015 . 1 1 A 114 114 GLY C C 114 173.360 172.337 1.023 2 1 1016 . 1 1 A 114 114 GLY CA C 114 44.195 44.543 -0.348 2 1 1017 . 1 1 A 114 114 GLY N N 114 115.079 115.268 -0.189 2 1 1018 . 1 1 A 115 115 THR H H 115 9.181 7.953 1.228 2 1 1019 . 1 1 A 115 115 THR HA H 115 4.969 5.000 -0.031 2 1 1024 . 1 1 A 115 115 THR C C 115 175.355 173.930 1.425 2 1 1025 . 1 1 A 115 115 THR CA C 115 59.375 59.972 -0.597 2 1 1026 . 1 1 A 115 115 THR CB C 115 70.530 71.222 -0.692 2 1 1028 . 1 1 A 115 115 THR N N 115 115.613 117.227 -1.614 2 1 1029 . 1 1 A 116 116 GLN H H 116 9.380 8.782 0.598 2 1 1030 . 1 1 A 116 116 GLN HA H 116 3.983 3.916 0.067 2 1 1033 . 1 1 A 116 116 GLN C C 116 179.110 175.810 3.300 2 1 1034 . 1 1 A 116 116 GLN CA C 116 56.195 56.831 -0.636 2 1 1035 . 1 1 A 116 116 GLN CB C 116 23.911 27.285 -3.374 2 1 1037 . 1 1 A 116 116 GLN N N 116 108.468 121.203 -12.735 2 1 1038 . 1 1 A 117 117 ILE H H 117 7.635 7.738 -0.103 2 1 1039 . 1 1 A 117 117 ILE HA H 117 3.814 4.040 -0.226 2 1 1042 . 1 1 A 117 117 ILE C C 117 178.002 176.125 1.877 2 1 1043 . 1 1 A 117 117 ILE CA C 117 64.828 61.579 3.249 2 1 1044 . 1 1 A 117 117 ILE CB C 117 36.327 38.380 -2.053 2 1 1047 . 1 1 A 118 118 ASP H H 118 8.732 8.676 0.056 2 1 1048 . 1 1 A 118 118 ASP HA H 118 4.468 4.368 0.100 2 1 1051 . 1 1 A 118 118 ASP C C 118 176.888 177.373 -0.485 2 1 1052 . 1 1 A 118 118 ASP CA C 118 55.527 56.317 -0.790 2 1 1053 . 1 1 A 118 118 ASP CB C 118 40.482 39.802 0.680 2 1 1054 . 1 1 A 118 118 ASP N N 118 119.049 121.542 -2.493 2 1 1055 . 1 1 A 119 119 LEU H H 119 7.914 8.713 -0.799 2 1 1056 . 1 1 A 119 119 LEU HA H 119 4.332 4.059 0.273 2 1 1066 . 1 1 A 119 119 LEU C C 119 178.015 177.836 0.179 2 1 1067 . 1 1 A 119 119 LEU CA C 119 55.388 57.273 -1.885 2 1 1068 . 1 1 A 119 119 LEU CB C 119 41.573 41.569 0.004 2 1 1071 . 1 1 A 119 119 LEU N N 119 117.783 120.024 -2.241 2 1 1072 . 1 1 A 120 120 ARG H H 120 7.256 8.139 -0.883 2 1 1073 . 1 1 A 120 120 ARG HA H 120 3.561 4.086 -0.525 2 1 1076 . 1 1 A 120 120 ARG C C 120 174.671 176.512 -1.842 2 1 1077 . 1 1 A 120 120 ARG CA C 120 60.041 58.113 1.928 2 1 1078 . 1 1 A 120 120 ARG CB C 120 30.079 29.333 0.746 2 1 1081 . 1 1 A 120 120 ARG N N 120 116.747 117.386 -0.639 2 1 1082 . 1 1 A 121 121 ASP H H 121 7.078 8.603 -1.525 2 1 1083 . 1 1 A 121 121 ASP HA H 121 4.802 4.646 0.156 2 1 1086 . 1 1 A 121 121 ASP C C 121 175.364 175.202 0.162 2 1 1087 . 1 1 A 121 121 ASP CA C 121 52.775 54.127 -1.352 2 1 1088 . 1 1 A 121 121 ASP CB C 121 41.372 40.804 0.568 2 1 1089 . 1 1 A 121 121 ASP N N 121 111.544 118.484 -6.940 2 1 1090 . 1 1 A 122 122 ASP H H 122 7.246 7.946 -0.700 2 1 1091 . 1 1 A 122 122 ASP HA H 122 4.983 4.900 0.083 2 1 1094 . 1 1 A 122 122 ASP CA C 122 51.575 52.046 -0.471 2 1 1095 . 1 1 A 122 122 ASP CB C 122 43.576 41.300 2.276 2 1 1096 . 1 1 A 122 122 ASP N N 122 122.169 120.753 1.416 2 1 1097 . 1 1 A 123 123 PRO HA H 123 4.132 4.358 -0.226 2 1 1100 . 1 1 A 123 123 PRO C C 123 178.982 178.213 0.769 2 1 1101 . 1 1 A 123 123 PRO CA C 123 65.824 65.201 0.623 2 1 1102 . 1 1 A 123 123 PRO CB C 123 32.041 31.820 0.221 2 1 1104 . 1 1 A 124 124 SER H H 124 8.333 8.289 0.044 2 1 1105 . 1 1 A 124 124 SER HA H 124 4.762 4.231 0.531 2 1 1108 . 1 1 A 124 124 SER C C 124 176.716 176.799 -0.083 2 1 1109 . 1 1 A 124 124 SER CA C 124 62.073 60.971 1.102 2 1 1110 . 1 1 A 124 124 SER CB C 124 62.373 62.894 -0.521 2 1 1111 . 1 1 A 124 124 SER N N 124 112.482 112.848 -0.366 2 1 1112 . 1 1 A 125 125 THR H H 125 7.921 7.959 -0.038 2 1 1113 . 1 1 A 125 125 THR HA H 125 4.658 4.004 0.654 2 1 1118 . 1 1 A 125 125 THR C C 125 175.789 176.554 -0.765 2 1 1119 . 1 1 A 125 125 THR CA C 125 67.686 66.459 1.227 2 1 1121 . 1 1 A 125 125 THR N N 125 121.820 116.337 5.483 2 1 1122 . 1 1 A 126 126 ILE H H 126 8.234 7.966 0.268 2 1 1123 . 1 1 A 126 126 ILE HA H 126 3.550 3.780 -0.230 2 1 1126 . 1 1 A 126 126 ILE C C 126 179.057 178.128 0.929 2 1 1127 . 1 1 A 126 126 ILE CA C 126 65.032 64.649 0.383 2 1 1128 . 1 1 A 126 126 ILE CB C 126 37.064 37.546 -0.482 2 1 1132 . 1 1 A 126 126 ILE N N 126 121.486 120.473 1.013 2 1 1133 . 1 1 A 127 127 GLU H H 127 8.240 8.297 -0.057 2 1 1134 . 1 1 A 127 127 GLU HA H 127 4.165 3.972 0.193 2 1 1136 . 1 1 A 127 127 GLU C C 127 177.025 179.203 -2.178 2 1 1137 . 1 1 A 127 127 GLU CA C 127 59.326 59.694 -0.368 2 1 1138 . 1 1 A 127 127 GLU CB C 127 29.330 29.243 0.087 2 1 1140 . 1 1 A 127 127 GLU N N 127 120.249 121.668 -1.419 2 1 1141 . 1 1 A 128 128 LYS H H 128 7.919 7.738 0.181 2 1 1142 . 1 1 A 128 128 LYS HA H 128 3.978 4.099 -0.121 2 1 1146 . 1 1 A 128 128 LYS C C 128 179.838 179.043 0.795 2 1 1147 . 1 1 A 128 128 LYS CA C 128 59.938 59.140 0.798 2 1 1148 . 1 1 A 128 128 LYS CB C 128 31.691 32.329 -0.638 2 1 1152 . 1 1 A 128 128 LYS N N 128 120.679 119.856 0.823 2 1 1153 . 1 1 A 129 129 LEU H H 129 8.142 8.063 0.079 2 1 1154 . 1 1 A 129 129 LEU HA H 129 4.128 4.178 -0.050 2 1 1160 . 1 1 A 129 129 LEU C C 129 179.701 178.849 0.852 2 1 1161 . 1 1 A 129 129 LEU CA C 129 57.904 57.435 0.469 2 1 1162 . 1 1 A 129 129 LEU CB C 129 41.674 41.078 0.596 2 1 1165 . 1 1 A 129 129 LEU N N 129 118.553 119.410 -0.857 2 1 1166 . 1 1 A 130 130 ALA H H 130 8.493 8.791 -0.298 2 1 1167 . 1 1 A 130 130 ALA HA H 130 4.286 4.010 0.276 2 1 1171 . 1 1 A 130 130 ALA C C 130 182.027 179.669 2.358 2 1 1172 . 1 1 A 130 130 ALA CA C 130 55.358 55.542 -0.184 2 1 1173 . 1 1 A 130 130 ALA CB C 130 17.069 18.349 -1.280 2 1 1174 . 1 1 A 130 130 ALA N N 130 122.578 121.636 0.942 2 1 1175 . 1 1 A 131 131 LYS H H 131 8.065 7.784 0.281 2 1 1176 . 1 1 A 131 131 LYS HA H 131 4.124 4.001 0.123 2 1 1180 . 1 1 A 131 131 LYS C C 131 177.085 178.506 -1.421 2 1 1181 . 1 1 A 131 131 LYS CA C 131 59.093 59.455 -0.362 2 1 1182 . 1 1 A 131 131 LYS CB C 131 31.782 32.241 -0.459 2 1 1186 . 1 1 A 131 131 LYS N N 131 120.347 118.067 2.280 2 1 1187 . 1 1 A 132 132 ASN H H 132 7.414 7.890 -0.476 2 1 1188 . 1 1 A 132 132 ASN HA H 132 4.983 4.750 0.233 2 1 1193 . 1 1 A 132 132 ASN C C 132 173.584 174.736 -1.152 2 1 1194 . 1 1 A 132 132 ASN CA C 132 52.195 53.564 -1.369 2 1 1195 . 1 1 A 132 132 ASN CB C 132 39.210 38.784 0.426 2 1 1196 . 1 1 A 132 132 ASN N N 132 115.667 115.659 0.008 2 1 1198 . 1 1 A 133 133 LYS H H 133 8.105 8.016 0.089 2 1 1199 . 1 1 A 133 133 LYS HA H 133 3.956 4.011 -0.055 2 1 1204 . 1 1 A 133 133 LYS C C 133 175.311 175.509 -0.198 2 1 1205 . 1 1 A 133 133 LYS CA C 133 57.317 57.127 0.190 2 1 1206 . 1 1 A 133 133 LYS CB C 133 28.397 30.522 -2.125 2 1 1210 . 1 1 A 133 133 LYS N N 133 113.900 115.762 -1.862 2 1 1211 . 1 1 A 134 134 GLN H H 134 8.107 7.824 0.283 2 1 1212 . 1 1 A 134 134 GLN HA H 134 4.777 4.571 0.206 2 1 1218 . 1 1 A 134 134 GLN C C 134 174.870 175.168 -0.298 2 1 1219 . 1 1 A 134 134 GLN CA C 134 53.890 55.759 -1.869 2 1 1220 . 1 1 A 134 134 GLN CB C 134 33.095 30.368 2.727 2 1 1222 . 1 1 A 134 134 GLN N N 134 116.006 117.903 -1.897 2 1 1224 . 1 1 A 135 135 LYS H H 135 7.974 8.352 -0.378 2 1 1225 . 1 1 A 135 135 LYS CA C 135 54.077 55.357 -1.280 2 1 1226 . 1 1 A 135 135 LYS CB C 135 33.433 33.008 0.425 2 1 1227 . 1 1 A 135 135 LYS N N 135 118.646 120.939 -2.293 2 1 1228 . 1 1 A 136 136 PRO HA H 136 4.378 4.514 -0.136 2 1 1232 . 1 1 A 136 136 PRO C C 136 174.976 176.214 -1.238 2 1 1233 . 1 1 A 136 136 PRO CA C 136 62.255 62.668 -0.413 2 1 1234 . 1 1 A 136 136 PRO CB C 136 32.147 32.146 0.001 2 1 1237 . 1 1 A 137 137 ILE H H 137 9.147 8.157 0.990 2 1 1238 . 1 1 A 137 137 ILE HA H 137 3.918 4.310 -0.392 2 1 1245 . 1 1 A 137 137 ILE C C 137 176.126 176.164 -0.038 2 1 1246 . 1 1 A 137 137 ILE CA C 137 59.969 60.599 -0.630 2 1 1247 . 1 1 A 137 137 ILE CB C 137 36.848 39.028 -2.180 2 1 1248 . 1 1 A 137 137 ILE N N 137 122.234 122.587 -0.353 2 1 1249 . 1 1 A 138 138 THR H H 138 7.993 8.808 -0.815 2 1 1250 . 1 1 A 138 138 THR HA H 138 4.765 4.881 -0.116 2 1 1255 . 1 1 A 138 138 THR CA C 138 59.171 59.729 -0.558 2 1 1256 . 1 1 A 138 138 THR CB C 138 68.488 69.110 -0.622 2 1 1257 . 1 1 A 138 138 THR N N 138 118.389 119.415 -1.026 2 1 1258 . 1 1 A 139 139 PRO HA H 139 4.071 4.359 -0.288 2 1 1261 . 1 1 A 139 139 PRO C C 139 177.838 178.280 -0.442 2 1 1262 . 1 1 A 139 139 PRO CA C 139 65.575 65.392 0.183 2 1 1263 . 1 1 A 139 139 PRO CB C 139 31.401 31.979 -0.578 2 1 1265 . 1 1 A 140 140 GLU H H 140 8.569 8.270 0.299 2 1 1266 . 1 1 A 140 140 GLU HA H 140 3.000 4.066 -1.066 2 1 1270 . 1 1 A 140 140 GLU C C 140 179.357 179.088 0.269 2 1 1271 . 1 1 A 140 140 GLU CA C 140 60.137 59.553 0.584 2 1 1272 . 1 1 A 140 140 GLU CB C 140 28.357 29.277 -0.920 2 1 1273 . 1 1 A 140 140 GLU N N 140 114.648 118.018 -3.370 2 1 1274 . 1 1 A 141 141 THR H H 141 7.579 7.760 -0.181 2 1 1275 . 1 1 A 141 141 THR HA H 141 3.811 3.949 -0.138 2 1 1280 . 1 1 A 141 141 THR C C 141 176.395 176.549 -0.154 2 1 1281 . 1 1 A 141 141 THR CA C 141 66.113 65.932 0.181 2 1 1282 . 1 1 A 141 141 THR CB C 141 68.569 68.431 0.138 2 1 1284 . 1 1 A 141 141 THR N N 141 118.215 116.890 1.325 2 1 1285 . 1 1 A 142 142 ALA H H 142 7.562 7.941 -0.379 2 1 1286 . 1 1 A 142 142 ALA HA H 142 3.866 4.285 -0.418 2 1 1290 . 1 1 A 142 142 ALA C C 142 178.302 179.755 -1.453 2 1 1291 . 1 1 A 142 142 ALA CA C 142 55.332 55.272 0.060 2 1 1292 . 1 1 A 142 142 ALA CB C 142 16.606 18.382 -1.776 2 1 1293 . 1 1 A 142 142 ALA N N 142 125.491 123.875 1.616 2 1 1294 . 1 1 A 143 143 GLU H H 143 8.787 8.321 0.466 2 1 1295 . 1 1 A 143 143 GLU HA H 143 3.742 3.722 0.020 2 1 1298 . 1 1 A 143 143 GLU C C 143 179.077 178.922 0.155 2 1 1299 . 1 1 A 143 143 GLU CA C 143 59.590 59.061 0.529 2 1 1300 . 1 1 A 143 143 GLU CB C 143 28.998 28.983 0.015 2 1 1302 . 1 1 A 143 143 GLU N N 143 117.991 118.638 -0.647 2 1 1303 . 1 1 A 144 144 LYS H H 144 7.313 7.465 -0.152 2 1 1304 . 1 1 A 144 144 LYS HA H 144 3.950 4.048 -0.099 2 1 1307 . 1 1 A 144 144 LYS C C 144 177.781 179.093 -1.312 2 1 1308 . 1 1 A 144 144 LYS CA C 144 59.370 59.329 0.041 2 1 1309 . 1 1 A 144 144 LYS CB C 144 31.718 32.305 -0.587 2 1 1313 . 1 1 A 144 144 LYS N N 144 118.815 119.954 -1.139 2 1 1314 . 1 1 A 145 145 LEU H H 145 7.326 7.857 -0.531 2 1 1315 . 1 1 A 145 145 LEU HA H 145 4.153 4.087 0.066 2 1 1324 . 1 1 A 145 145 LEU C C 145 178.162 178.560 -0.398 2 1 1325 . 1 1 A 145 145 LEU CA C 145 57.834 57.714 0.120 2 1 1326 . 1 1 A 145 145 LEU CB C 145 40.432 41.065 -0.633 2 1 1329 . 1 1 A 145 145 LEU N N 145 119.589 121.110 -1.521 2 1 1330 . 1 1 A 146 146 ALA H H 146 8.482 7.548 0.934 2 1 1331 . 1 1 A 146 146 ALA HA H 146 3.705 4.064 -0.359 2 1 1335 . 1 1 A 146 146 ALA C C 146 178.574 179.571 -0.997 2 1 1336 . 1 1 A 146 146 ALA CA C 146 55.543 55.209 0.334 2 1 1337 . 1 1 A 146 146 ALA CB C 146 17.663 18.274 -0.611 2 1 1338 . 1 1 A 146 146 ALA N N 146 118.809 120.990 -2.181 2 1 1339 . 1 1 A 147 147 ARG H H 147 7.714 7.878 -0.164 2 1 1340 . 1 1 A 147 147 ARG HA H 147 4.175 4.223 -0.048 2 1 1344 . 1 1 A 147 147 ARG C C 147 180.165 176.986 3.179 2 1 1345 . 1 1 A 147 147 ARG CA C 147 58.995 57.730 1.265 2 1 1346 . 1 1 A 147 147 ARG CB C 147 29.657 29.923 -0.266 2 1 1349 . 1 1 A 147 147 ARG N N 147 116.011 117.955 -1.944 2 1 1350 . 1 1 A 148 148 ASP H H 148 8.461 7.940 0.521 2 1 1351 . 1 1 A 148 148 ASP HA H 148 4.324 4.633 -0.309 2 1 1354 . 1 1 A 148 148 ASP C C 148 178.284 177.116 1.168 2 1 1355 . 1 1 A 148 148 ASP CA C 148 57.501 55.663 1.838 2 1 1356 . 1 1 A 148 148 ASP CB C 148 40.172 41.844 -1.672 2 1 1357 . 1 1 A 148 148 ASP N N 148 121.913 118.807 3.106 2 1 1358 . 1 1 A 149 149 LEU H H 149 8.364 7.556 0.808 2 1 1359 . 1 1 A 149 149 LEU HA H 149 4.365 4.396 -0.031 2 1 1368 . 1 1 A 149 149 LEU C C 149 174.985 176.492 -1.507 2 1 1369 . 1 1 A 149 149 LEU CA C 149 54.315 55.142 -0.828 2 1 1370 . 1 1 A 149 149 LEU CB C 149 41.373 42.344 -0.971 2 1 1373 . 1 1 A 149 149 LEU N N 149 115.324 117.256 -1.932 2 1 1374 . 1 1 A 150 150 LYS H H 150 7.624 7.865 -0.241 2 1 1375 . 1 1 A 150 150 LYS HA H 150 3.783 4.170 -0.388 2 1 1379 . 1 1 A 150 150 LYS C C 150 177.003 175.452 1.551 2 1 1380 . 1 1 A 150 150 LYS CA C 150 57.457 56.520 0.937 2 1 1381 . 1 1 A 150 150 LYS CB C 150 27.730 30.820 -3.090 2 1 1385 . 1 1 A 150 150 LYS N N 150 111.768 116.097 -4.329 2 1 1386 . 1 1 A 151 151 ALA H H 151 8.248 7.517 0.731 2 1 1387 . 1 1 A 151 151 ALA HA H 151 2.979 4.358 -1.379 2 1 1391 . 1 1 A 151 151 ALA C C 151 177.944 177.649 0.295 2 1 1392 . 1 1 A 151 151 ALA CA C 151 51.231 52.479 -1.248 2 1 1393 . 1 1 A 151 151 ALA CB C 151 19.707 19.584 0.122 2 1 1394 . 1 1 A 151 151 ALA N N 151 119.649 121.316 -1.667 2 1 1395 . 1 1 A 152 152 VAL H H 152 8.684 8.770 -0.086 2 1 1396 . 1 1 A 152 152 VAL HA H 152 3.478 3.965 -0.487 2 1 1404 . 1 1 A 152 152 VAL C C 152 176.367 175.951 0.416 2 1 1405 . 1 1 A 152 152 VAL CA C 152 66.127 64.833 1.294 2 1 1406 . 1 1 A 152 152 VAL CB C 152 32.285 32.066 0.219 2 1 1409 . 1 1 A 152 152 VAL N N 152 120.805 122.240 -1.435 2 1 1410 . 1 1 A 153 153 LYS H H 153 6.865 7.768 -0.903 2 1 1411 . 1 1 A 153 153 LYS HA H 153 4.344 4.886 -0.542 2 1 1416 . 1 1 A 153 153 LYS C C 153 172.951 174.174 -1.223 2 1 1417 . 1 1 A 153 153 LYS CA C 153 55.049 55.311 -0.262 2 1 1418 . 1 1 A 153 153 LYS CB C 153 34.332 36.471 -2.139 2 1 1422 . 1 1 A 153 153 LYS N N 153 108.179 118.361 -10.182 2 1 1423 . 1 1 A 154 154 TYR H H 154 8.606 8.701 -0.095 2 1 1424 . 1 1 A 154 154 TYR HA H 154 5.761 6.051 -0.291 2 1 1426 . 1 1 A 154 154 TYR C C 154 174.216 173.834 0.382 2 1 1427 . 1 1 A 154 154 TYR CA C 154 55.910 55.480 0.430 2 1 1428 . 1 1 A 154 154 TYR CB C 154 40.457 42.322 -1.865 2 1 1429 . 1 1 A 154 154 TYR N N 154 120.249 119.625 0.624 2 1 1430 . 1 1 A 155 155 VAL H H 155 8.271 8.685 -0.414 2 1 1431 . 1 1 A 155 155 VAL HA H 155 4.138 4.703 -0.565 2 1 1439 . 1 1 A 155 155 VAL C C 155 171.653 174.133 -2.480 2 1 1440 . 1 1 A 155 155 VAL CA C 155 58.344 59.842 -1.498 2 1 1441 . 1 1 A 155 155 VAL CB C 155 34.645 35.725 -1.080 2 1 1444 . 1 1 A 155 155 VAL N N 155 121.448 119.617 1.831 2 1 1445 . 1 1 A 156 156 GLU H H 156 8.030 8.676 -0.646 2 1 1446 . 1 1 A 156 156 GLU HA H 156 5.393 5.053 0.340 2 1 1449 . 1 1 A 156 156 GLU C C 156 175.890 175.573 0.317 2 1 1450 . 1 1 A 156 156 GLU CA C 156 53.775 55.138 -1.363 2 1 1451 . 1 1 A 156 156 GLU CB C 156 31.521 31.770 -0.249 2 1 1453 . 1 1 A 156 156 GLU N N 156 113.147 123.585 -10.438 2 1 1454 . 1 1 A 157 157 CYS H H 157 8.838 9.396 -0.558 2 1 1455 . 1 1 A 157 157 CYS HA H 157 5.324 5.237 0.087 2 1 1458 . 1 1 A 157 157 CYS C C 157 171.554 172.497 -0.943 2 1 1459 . 1 1 A 157 157 CYS CA C 157 55.749 57.127 -1.378 2 1 1460 . 1 1 A 157 157 CYS CB C 157 32.041 31.164 0.877 2 1 1461 . 1 1 A 157 157 CYS N N 157 111.910 122.262 -10.352 2 1 1462 . 1 1 A 158 158 SER H H 158 8.277 8.780 -0.503 2 1 1463 . 1 1 A 158 158 SER HA H 158 5.211 4.817 0.394 2 1 1466 . 1 1 A 158 158 SER C C 158 176.246 174.984 1.262 2 1 1467 . 1 1 A 158 158 SER CA C 158 55.892 56.341 -0.449 2 1 1468 . 1 1 A 158 158 SER CB C 158 65.035 64.501 0.534 2 1 1469 . 1 1 A 158 158 SER N N 158 110.284 118.507 -8.223 2 1 1470 . 1 1 A 159 159 ALA H H 159 9.297 8.910 0.387 2 1 1471 . 1 1 A 159 159 ALA HA H 159 4.210 3.904 0.306 2 1 1475 . 1 1 A 159 159 ALA C C 159 177.030 179.308 -2.278 2 1 1476 . 1 1 A 159 159 ALA CA C 159 54.522 54.720 -0.198 2 1 1477 . 1 1 A 159 159 ALA CB C 159 18.828 18.206 0.621 2 1 1478 . 1 1 A 159 159 ALA N N 159 132.318 130.578 1.740 2 1 1479 . 1 1 A 160 160 LEU H H 160 7.361 7.608 -0.247 2 1 1480 . 1 1 A 160 160 LEU HA H 160 3.307 3.799 -0.492 2 1 1485 . 1 1 A 160 160 LEU C C 160 177.619 176.269 1.350 2 1 1486 . 1 1 A 160 160 LEU CA C 160 57.497 57.054 0.443 2 1 1487 . 1 1 A 160 160 LEU CB C 160 43.255 42.016 1.239 2 1 1490 . 1 1 A 160 160 LEU N N 160 118.308 118.360 -0.052 2 1 1491 . 1 1 A 161 161 THR H H 161 8.109 7.526 0.583 2 1 1492 . 1 1 A 161 161 THR HA H 161 4.218 4.668 -0.450 2 1 1497 . 1 1 A 161 161 THR C C 161 176.064 174.519 1.545 2 1 1498 . 1 1 A 161 161 THR CA C 161 61.435 59.677 1.758 2 1 1499 . 1 1 A 161 161 THR CB C 161 69.809 71.779 -1.970 2 1 1501 . 1 1 A 161 161 THR N N 161 106.273 109.889 -3.616 2 1 1502 . 1 1 A 162 162 GLN H H 162 7.457 8.742 -1.286 2 1 1503 . 1 1 A 162 162 GLN HA H 162 3.923 4.269 -0.346 2 1 1509 . 1 1 A 162 162 GLN C C 162 174.988 176.752 -1.764 2 1 1510 . 1 1 A 162 162 GLN CA C 162 59.015 57.396 1.619 2 1 1511 . 1 1 A 162 162 GLN CB C 162 25.425 28.343 -2.918 2 1 1513 . 1 1 A 162 162 GLN N N 162 112.744 120.745 -8.001 2 1 1515 . 1 1 A 163 163 LYS H H 163 7.831 7.652 0.178 2 1 1516 . 1 1 A 163 163 LYS HA H 163 4.163 4.269 -0.106 2 1 1519 . 1 1 A 163 163 LYS C C 163 177.322 178.138 -0.816 2 1 1520 . 1 1 A 163 163 LYS CA C 163 58.055 57.180 0.875 2 1 1521 . 1 1 A 163 163 LYS CB C 163 32.041 32.313 -0.272 2 1 1525 . 1 1 A 163 163 LYS N N 163 124.132 119.001 5.131 2 1 1526 . 1 1 A 164 164 GLY H H 164 9.133 7.821 1.312 2 1 1527 . 1 1 A 164 164 GLY HA2 H 164 4.293 3.715 0.578 2 1 1528 . 1 1 A 164 164 GLY HA3 H 164 3.860 3.733 0.127 2 1 1529 . 1 1 A 164 164 GLY C C 164 174.825 175.304 -0.479 2 1 1530 . 1 1 A 164 164 GLY CA C 164 46.375 46.862 -0.487 2 1 1531 . 1 1 A 164 164 GLY N N 164 114.473 108.581 5.892 2 1 1532 . 1 1 A 165 165 LEU H H 165 7.400 8.310 -0.910 2 1 1533 . 1 1 A 165 165 LEU HA H 165 3.792 4.145 -0.353 2 1 1538 . 1 1 A 165 165 LEU C C 165 176.722 179.360 -2.638 2 1 1539 . 1 1 A 165 165 LEU CA C 165 58.737 57.862 0.875 2 1 1540 . 1 1 A 165 165 LEU CB C 165 43.498 41.572 1.926 2 1 1543 . 1 1 A 165 165 LEU N N 165 121.187 122.080 -0.893 2 1 1544 . 1 1 A 166 166 LYS H H 166 8.580 7.963 0.617 2 1 1545 . 1 1 A 166 166 LYS HA H 166 4.151 4.031 0.120 2 1 1548 . 1 1 A 166 166 LYS C C 166 179.204 179.023 0.181 2 1 1549 . 1 1 A 166 166 LYS CA C 166 60.208 59.675 0.533 2 1 1550 . 1 1 A 166 166 LYS CB C 166 31.801 32.070 -0.269 2 1 1554 . 1 1 A 166 166 LYS N N 166 116.769 118.052 -1.283 2 1 1555 . 1 1 A 167 167 ASN H H 167 8.125 7.976 0.149 2 1 1556 . 1 1 A 167 167 ASN HA H 167 4.349 4.613 -0.264 2 1 1559 . 1 1 A 167 167 ASN C C 167 175.612 177.616 -2.004 2 1 1560 . 1 1 A 167 167 ASN CA C 167 56.686 56.021 0.665 2 1 1561 . 1 1 A 167 167 ASN CB C 167 38.650 38.861 -0.211 2 1 1562 . 1 1 A 167 167 ASN N N 167 114.773 117.780 -3.007 2 1 1563 . 1 1 A 168 168 VAL H H 168 7.365 7.714 -0.349 2 1 1564 . 1 1 A 168 168 VAL HA H 168 2.910 3.872 -0.962 2 1 1569 . 1 1 A 168 168 VAL C C 168 175.770 178.012 -2.242 2 1 1570 . 1 1 A 168 168 VAL CA C 168 67.103 64.919 2.184 2 1 1571 . 1 1 A 168 168 VAL CB C 168 30.845 31.514 -0.669 2 1 1574 . 1 1 A 168 168 VAL N N 168 117.042 118.060 -1.018 2 1 1575 . 1 1 A 169 169 PHE H H 169 6.368 8.295 -1.927 2 1 1576 . 1 1 A 169 169 PHE HA H 169 3.751 4.186 -0.434 2 1 1579 . 1 1 A 169 169 PHE C C 169 178.202 177.281 0.921 2 1 1580 . 1 1 A 169 169 PHE CA C 169 61.975 61.420 0.555 2 1 1581 . 1 1 A 169 169 PHE CB C 169 38.990 39.175 -0.185 2 1 1582 . 1 1 A 169 169 PHE N N 169 113.983 122.482 -8.499 2 1 1583 . 1 1 A 170 170 ASP H H 170 7.906 8.313 -0.407 2 1 1584 . 1 1 A 170 170 ASP HA H 170 4.338 4.182 0.156 2 1 1586 . 1 1 A 170 170 ASP C C 170 178.596 179.054 -0.458 2 1 1587 . 1 1 A 170 170 ASP CA C 170 57.540 57.482 0.058 2 1 1588 . 1 1 A 170 170 ASP CB C 170 39.481 40.479 -0.998 2 1 1589 . 1 1 A 170 170 ASP N N 170 120.793 119.641 1.152 2 1 1590 . 1 1 A 171 171 GLU H H 171 8.048 7.962 0.086 2 1 1591 . 1 1 A 171 171 GLU HA H 171 3.989 3.968 0.021 2 1 1594 . 1 1 A 171 171 GLU C C 171 179.405 178.885 0.520 2 1 1595 . 1 1 A 171 171 GLU CA C 171 58.130 59.034 -0.904 2 1 1596 . 1 1 A 171 171 GLU CB C 171 27.546 29.092 -1.546 2 1 1598 . 1 1 A 171 171 GLU N N 171 115.893 119.443 -3.550 2 1 1599 . 1 1 A 172 172 ALA H H 172 7.937 7.878 0.059 2 1 1600 . 1 1 A 172 172 ALA HA H 172 3.759 3.970 -0.211 2 1 1604 . 1 1 A 172 172 ALA C C 172 177.968 180.121 -2.153 2 1 1605 . 1 1 A 172 172 ALA CA C 172 55.395 55.024 0.371 2 1 1606 . 1 1 A 172 172 ALA CB C 172 17.084 18.123 -1.040 2 1 1607 . 1 1 A 172 172 ALA N N 172 123.733 122.193 1.540 2 1 1608 . 1 1 A 173 173 ILE H H 173 7.645 7.240 0.405 2 1 1609 . 1 1 A 173 173 ILE HA H 173 3.314 3.581 -0.267 2 1 1615 . 1 1 A 173 173 ILE C C 173 177.082 178.170 -1.088 2 1 1616 . 1 1 A 173 173 ILE CA C 173 65.755 64.589 1.166 2 1 1617 . 1 1 A 173 173 ILE CB C 173 37.448 37.609 -0.161 2 1 1621 . 1 1 A 173 173 ILE N N 173 116.213 119.220 -3.007 2 1 1622 . 1 1 A 174 174 LEU H H 174 7.703 7.773 -0.070 2 1 1623 . 1 1 A 174 174 LEU HA H 174 3.760 3.899 -0.139 2 1 1629 . 1 1 A 174 174 LEU C C 174 179.847 178.547 1.300 2 1 1630 . 1 1 A 174 174 LEU CA C 174 58.049 57.950 0.099 2 1 1631 . 1 1 A 174 174 LEU CB C 174 40.973 41.239 -0.266 2 1 1634 . 1 1 A 174 174 LEU N N 174 116.496 120.586 -4.090 2 1 1635 . 1 1 A 175 175 ALA H H 175 7.927 7.986 -0.059 2 1 1636 . 1 1 A 175 175 ALA HA H 175 4.057 3.912 0.145 2 1 1640 . 1 1 A 175 175 ALA C C 175 178.605 179.505 -0.900 2 1 1641 . 1 1 A 175 175 ALA CA C 175 54.004 55.115 -1.111 2 1 1642 . 1 1 A 175 175 ALA CB C 175 18.464 18.219 0.245 2 1 1643 . 1 1 A 175 175 ALA N N 175 118.760 120.919 -2.159 2 1 1644 . 1 1 A 176 176 ALA H H 176 7.647 7.639 0.008 2 1 1645 . 1 1 A 176 176 ALA HA H 176 4.035 4.004 0.031 2 1 1649 . 1 1 A 176 176 ALA C C 176 178.284 179.831 -1.547 2 1 1650 . 1 1 A 176 176 ALA CA C 176 53.335 54.791 -1.456 2 1 1651 . 1 1 A 176 176 ALA CB C 176 18.985 18.111 0.874 2 1 1652 . 1 1 A 176 176 ALA N N 176 117.532 120.546 -3.014 2 1 1653 . 1 1 A 177 177 LEU H H 177 7.419 7.539 -0.120 2 1 1654 . 1 1 A 177 177 LEU HA H 177 4.210 3.890 0.320 2 1 1658 . 1 1 A 177 177 LEU C C 177 174.091 178.286 -4.195 2 1 1659 . 1 1 A 177 177 LEU CA C 177 55.035 57.600 -2.566 2 1 1660 . 1 1 A 177 177 LEU CB C 177 42.340 41.558 0.782 2 1 1663 . 1 1 A 177 177 LEU N N 177 115.220 118.916 -3.696 2 stop_ save_